A0A061HVN1_CRIGR Loading...

Sperm acrosome associated 5

AlphaFold DB , UniProt , Accession A0A061HVN1, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Spaca5, Length 160 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	42.1	Very low	54.7	Low	243 Å²	243	147.8 Å²	147.8	100%	1.197	79%	0.79	S	S	*	*				0	107.2	0	-73.3	-178.1	-99.3	0	0	107.1
2	Q	46.2	Very low	55.6	Low	171 Å²	171	142.8 Å²	142.8	80%	0.799	78%	0.784	S	S	*	*			trans	-101	95.8	-168.1	-152	167.9	-6.9	0	0	106.8	W4	Q2-W4 PolarHBondContact O-N 3.25Å; Q2-W4 VanDerWaalsContact O-N 3.17Å
3	V	55.3	Low	56.3	Low	143 Å²	143	140.1 Å²	140.1	87%	0.867	78%	0.775	S	S	*	*			trans	-78.2	97	168.2	-111.9	0	0	0	0	106	G5	V3-G5 VanDerWaalsContact C-N 3.29Å; V3-G5 PolarHBondContact O-N 2.76Å
4	W	55.2	Low	57	Low	218 Å²	218	141.1 Å²	141.1	83%	0.826	78%	0.777	S	S	*	*			trans	-60.2	100.5	162.6	-84.1	26.2	0	0	0	106.5	Q2 T6	Q2-W4 PolarHBondContact O-N 3.25Å; Q2-W4 VanDerWaalsContact O-N 3.17Å; W4-T6 VanDerWaalsContact C-N 3.31Å; W4-T6 PolarHBondContact O-N 2.89Å
5	G	55.7	Low	57.3	Low	64 Å²	64	143.3 Å²	143.3	66%	0.66	78%	0.783	S	S	*	*			trans	-60.1	100	169.3	0	0	0	0	0	107.1	V3 F7	V3-G5 VanDerWaalsContact C-N 3.29Å; V3-G5 PolarHBondContact O-N 2.76Å; G5-F7 VanDerWaalsContact C-N 3.32Å; G5-F7 PolarHBondContact O-N 3.35Å
6	T	56.2	Low	57.7	Low	118 Å²	118	141.3 Å²	141.3	72%	0.724	78%	0.776	S	S	*	*			trans	-56.4	104.3	167	44.8	0	0	0	0	106.3	W4 V8	W4-T6 VanDerWaalsContact C-N 3.31Å; W4-T6 PolarHBondContact O-N 2.89Å; T6-V8 PolarHBondContact O-N 3.18Å
7	F	55.1	Low	58	Low	194 Å²	194	140.4 Å²	140.4	85%	0.851	78%	0.775	S	S	*	*			trans	-55.6	80.8	158.5	-99.4	-103.2	0	0	0	107	G5 V9	G5-F7 VanDerWaalsContact C-N 3.32Å; G5-F7 PolarHBondContact O-N 3.35Å; F7-V9 HydrophobicContact CD1-CG2 3.82Å; F7-V9 PolarHBondContact O-N 2.95Å
8	V	55.8	Low	58.6	Low	105 Å²	105	139.1 Å²	139.1	64%	0.636	77%	0.772	S	S	*	*			trans	-83.1	73.4	165.4	-174.7	0	0	0	0	105.1	T6 T10	T6-V8 PolarHBondContact O-N 3.18Å; V8-T10 HydrophobicContact CG1-CG2 3.89Å; V8-T10 PolarHBondContact O-N 2.05Å
9	V	57.7	Low	59.5	Low	108 Å²	108	135.9 Å²	135.9	66%	0.655	76%	0.757	S	S	*	*			trans	-69.1	88.8	160.6	177.7	0	0	0	0	104.8	F7 L11	F7-V9 HydrophobicContact CD1-CG2 3.82Å; F7-V9 PolarHBondContact O-N 2.95Å; V9-L11 PolarHBondContact O-N 2.72Å
10	T	61.1	Low	60.9	Low	121 Å²	121	133.5 Å²	133.5	74%	0.742	74%	0.742	S	S	*	*			trans	-64.1	88	164.8	38.6	0	0	0	0	107.2	V8 A12	V8-T10 HydrophobicContact CG1-CG2 3.89Å; V8-T10 PolarHBondContact O-N 2.05Å; T10-A12 PolarHBondContact O-N 3.19Å
11	L	61.1	Low	62.4	Low	141 Å²	141	128.8 Å²	128.8	74%	0.738	72%	0.721	S	S	*	*			trans	-69.5	87.3	164.6	-170.1	71.6	0	0	0	106.3	V9 T13	V9-L11 PolarHBondContact O-N 2.72Å; L11-T13 HydrophobicContact CD2-CG2 4.18Å; L11-T13 HydrophobicContact CG-CG2 4.3Å; L11-T13 PolarHBondContact O-N 2.83Å
12	A	65.3	Low	65	Low	87 Å²	87	119.3 Å²	119.3	72%	0.719	67%	0.673	S	S	*	*			trans	-65.1	90.3	165.7	0	0	0	0	0	106.7	T10 L14	T10-A12 PolarHBondContact O-N 3.19Å; A12-L14 PolarHBondContact O-N 3.36Å
13	T	65.8	Low	67.4	Low	108 Å²	108	116.4 Å²	116.4	66%	0.663	66%	0.661	S	S	*	*			trans	-61.6	104.1	170.8	39.5	0	0	0	0	107.6	L11 M15	L11-T13 HydrophobicContact CD2-CG2 4.18Å; L11-T13 HydrophobicContact CG-CG2 4.3Å; L11-T13 PolarHBondContact O-N 2.83Å; T13-M15 PolarHBondContact O-N 2.94Å
14	L	64.9	Low	69.5	Low	154 Å²	154	109.8 Å²	109.8	81%	0.806	62%	0.621	S	S	*	*			trans	-58.1	109.8	165.5	-121.1	86.5	0	0	0	106.6	A12 V16	A12-L14 PolarHBondContact O-N 3.36Å; L14-V16 VanDerWaalsContact C-N 3.3Å; L14-V16 PolarHBondContact O-N 3.24Å
15	M	62.6	Low	71.5	Confident	175 Å²	175	106.3 Å²	106.3	86%	0.862	61%	0.614	S	S	*	*			trans	-70.4	96.9	165.4	-67.4	-160.9	-133.7	0	0	106.6	T13 V17	T13-M15 PolarHBondContact O-N 2.94Å; M15-V17 PolarHBondContact O-N 3.07Å; M15-V17 VanDerWaalsContact O-N 3.09Å
16	V	63	Low	73.5	Confident	110 Å²	110	107 Å²	107	67%	0.667	60%	0.596	S	S	*	*			trans	-70	104	167.7	-179.1	0	0	0	0	105.9	L14 T18	L14-V16 VanDerWaalsContact C-N 3.3Å; L14-V16 PolarHBondContact O-N 3.24Å; V16-T18 HydrophobicContact CG1-CG2 4.29Å; V16-T18 PolarHBondContact O-N 3.2Å
17	V	63.8	Low	75.5	Confident	127 Å²	127	102.9 Å²	102.9	77%	0.77	57%	0.573	S	S	*	*			trans	-69.6	101.9	170.5	-174.9	0	0	0	0	106.4	M15 V19	M15-V17 PolarHBondContact O-N 3.07Å; M15-V17 VanDerWaalsContact O-N 3.09Å; V17-V19 PolarHBondContact O-N 3.21Å
18	T	67.2	Low	77.5	Confident	116 Å²	116	95.8 Å²	95.8	71%	0.712	54%	0.542	S	S	*	.			trans	-78.4	115.4	173	54.1	0	0	0	0	108.3	V16 D20	V16-T18 HydrophobicContact CG1-CG2 4.29Å; V16-T18 PolarHBondContact O-N 3.2Å; T18-D20 PolarHBondContact O-N 3.28Å
19	V	76.1	Confident	79.5	Confident	80 Å²	80	90.8 Å²	90.8	49%	0.485	51%	0.512	S	S	.	.			trans	-76.7	109.8	169.2	-178.6	0	0	0	0	107.5	V17 A21 L104 N105	V17-V19 PolarHBondContact O-N 3.21Å; V19-A21 PolarHBondContact O-N 3.07Å; V19-A21 VanDerWaalsContact O-N 3.09Å; V19-L104 HydrophobicContact CG1-CB 4.08Å; V19-L104 WeakPolarHBondContact CG1-O 3.33Å; V19-N105 HydrophobicContact CG1-CB 4.24Å
20	D	87.1	Confident	81.4	Confident	86 Å²	86	85.6 Å²	85.6	46%	0.46	48%	0.48	S	S	.	.			trans	-80.6	83.1	177.5	-173.6	22.1	0	0	0	109.2	T18 R106	T18-D20 PolarHBondContact O-N 3.28Å; D20-R106 VanDerWaalsContact CG-CD 3.45Å; D20-R106 VanDerWaalsContact O-CB 3.27Å; D20-R106 WeakPolarHBondContact O-CB 3.44Å; D20-R106 WeakPolarHBondContact O-CG 3.06Å; D20-R106 PolarHBondContact O-N 3.31Å; D20-R106 IonicContact OD1-NH1 3.66Å; D20-R106 WeakPolarHBondContact OD2-CD 3.44Å; D20-R106 IonicContact OD2-CZ 3.62Å; D20-R106 IonicContact OD2-NE 3.9Å; D20-R106 IonicContact OD2-NH1 2.73Å; D20-R106 PolarHBondContact OD2-NH1 2.98Å
21	A	92.2	Very high	83.1	Confident	36 Å²	36	86.2 Å²	86.2	30%	0.298	47%	0.469	S	S	.	.			trans	-84.1	163.9	179.5	0	0	0	0	0	113	V19	V19-A21 PolarHBondContact O-N 3.07Å; V19-A21 VanDerWaalsContact O-N 3.09Å
22	K	96.9	Very high	84.8	Confident	43 Å²	43	84.1 Å²	84.1	19%	0.187	45%	0.451	C	S	.	.			trans	-150.2	138.8	-178.5	175.7	165.5	177.9	161	0	112.4	Y24 E28 T61 R106	K22-Y24 HydrophobicContact CB-CE2 4.39Å; K22-Y24 HydrophobicContact CD-CD1 4.13Å; K22-Y24 HydrophobicContact CD-CD2 4.43Å; K22-Y24 HydrophobicContact CD-CE1 3.82Å; K22-Y24 HydrophobicContact CD-CE2 4.19Å; K22-Y24 HydrophobicContact CD-CG 4.42Å; K22-Y24 HydrophobicContact CG-CD2 4.19Å; K22-Y24 HydrophobicContact CG-CE2 4.23Å; K22-Y24 HydrophobicContact CG-CG 4.39Å; K22-E28 WeakPolarHBondContact CE-OE2 3.43Å; K22-E28 IonicContact NZ-OE1 2.79Å; K22-E28 PolarHBondContact NZ-OE1 3.5Å; K22-E28 IonicContact NZ-OE2 3.59Å; K22-E28 PolarHBondContact NZ-OE2 3.42Å; K22-T61 PolarHBondContact N-OG1 2.74Å; K22-T61 WeakPolarHBondContact O-CG2 3.44Å; K22-T61 PolarHBondContact O-N 2.89Å; K22-T61 PolarHBondContact O-OG1 3.48Å; K22-R106 HydrophobicContact CB-CB 3.74Å
23	I	98.4	Very high	86.4	Confident	110 Å²	110	80 Å²	80	56%	0.564	42%	0.417	S	S	*	.	B	Isolated β-bridge	trans	-89.5	122.2	158.4	-53.9	179.2	0	0	0	108	F59 D60	I23-F59 WeakPolarHBondContact CA-O 3.35Å; I23-D60 HydrophobicContact CD1-CB 4.47Å; I23-D60 HydrophobicContact CG1-CB 3.89Å
24	Y	98.4	Very high	87.8	Confident	5 Å²	5	76.2 Å²	76.2	2%	0.02	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-86.5	137.7	-178	-85.4	-81.1	0	0	0	113.1	K22 E28 L29 R32 F59 T61 I76 R106 I108	K22-Y24 HydrophobicContact CB-CE2 4.39Å; K22-Y24 HydrophobicContact CD-CD1 4.13Å; K22-Y24 HydrophobicContact CD-CD2 4.43Å; K22-Y24 HydrophobicContact CD-CE1 3.82Å; K22-Y24 HydrophobicContact CD-CE2 4.19Å; K22-Y24 HydrophobicContact CD-CG 4.42Å; K22-Y24 HydrophobicContact CG-CD2 4.19Å; K22-Y24 HydrophobicContact CG-CE2 4.23Å; K22-Y24 HydrophobicContact CG-CG 4.39Å; Y24-E28 HydrophobicContact CD1-CB 4.37Å; Y24-E28 HydrophobicContact CD1-CG 4.04Å; Y24-E28 HydrophobicContact CE1-CG 4.22Å; Y24-E28 WeakPolarHBondContact CE1-OE1 3.42Å; Y24-L29 HydrophobicContact CD2-CD1 4.45Å; Y24-L29 HydrophobicContact CG-CB 4.42Å; Y24-L29 HydrophobicContact CG-CD1 4.28Å; Y24-R32 PolarHBondContact OH-NE 2.93Å; Y24-F59 PolarHBondContact N-O 2.95Å; Y24-F59 WeakPolarHBondContact O-CB 3.42Å; Y24-F59 WeakPolarHBondContact O-CD2 3.12Å; Y24-T61 HydrophobicContact CD2-CG2 3.92Å; Y24-T61 HydrophobicContact CE2-CG2 3.73Å; Y24-I76 HydrophobicContact CD2-CD1 4.11Å; Y24-R106 PolarHBondContact OH-O 3.02Å; Y24-I108 HydrophobicContact CE2-CD1 4.35Å; Y24-I108 HydrophobicContact CE2-CG2 3.9Å
25	E	97.9	Very high	89.3	Confident	145 Å²	145	78.1 Å²	78.1	68%	0.678	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-70.1	141.7	163.4	-67.7	-63.9	157.8	0	0	110.6	C27 E28 L29	E25-C27 PolarHBondContact O-N 2.91Å; E25-E28 HydrophobicContact CB-CB 4.19Å; E25-E28 WeakPolarHBondContact O-CA 3.34Å; E25-E28 WeakPolarHBondContact O-CB 3.14Å; E25-E28 PolarHBondContact O-N 2.9Å; E25-L29 PolarHBondContact O-N 2.95Å
26	R	97.6	Very high	90.9	Very high	77 Å²	77	71.1 Å²	71.1	29%	0.291	36%	0.364	S	S	.	.	H	α-helix	trans	-48.8	-52.9	-174.6	-179.4	177.9	59.1	85.7	-1.2	113.5	L29 A30 L50 F59 W143 K145 C147	R26-L29 PolarHBondContact O-N 2.84Å; R26-A30 WeakPolarHBondContact O-CB 3.06Å; R26-A30 PolarHBondContact O-N 2.64Å; R26-L50 HydrophobicContact CG-CD1 4.36Å; R26-F59 HydrophobicContact CB-CE2 4.13Å; R26-W143 WeakPolarHBondContact CD-O 3.46Å; R26-W143 HydrophobicContact CG-CE3 4.29Å; R26-W143 VanDerWaalsContact NH1-C 3.28Å; R26-W143 PolarHBondContact NH1-O 3.39Å; R26-K145 PolarHBondContact NH1-O 3.14Å; R26-K145 PolarHBondContact NH2-O 3.38Å; R26-C147 PolarHBondContact NH1-SG 3.48Å
27	C	97.6	Very high	92.4	Very high	33 Å²	33	67.7 Å²	67.7	22%	0.223	35%	0.351	C	S	.	.	H	α-helix	trans	-76.5	-20.3	-178.5	-65.8	0	0	0	0	113.9	E25 R31 C147	E25-C27 PolarHBondContact O-N 2.91Å; C27-R31 WeakPolarHBondContact O-CG 3.41Å; C27-R31 PolarHBondContact O-N 2.97Å; C27-R31 PolarHBondContact O-NE 2.82Å; C27-R31 VanDerWaalsContact O-NE 3.14Å; C27-C147 WeakPolarHBondContact CA-SG 3.4Å; C27-C147 HydrophobicContact CB-CB 3.75Å; C27-C147 WeakPolarHBondContact CB-SG 3.45Å; C27-C147 WeakPolarHBondContact SG-CA 3.5Å; C27-C147 WeakPolarHBondContact SG-CB 3.36Å; C27-C147 CovalentContact SG-SG 2.05Å; C27-C147 PolarHBondContact SG-SG 3.24Å
28	E	97.4	Very high	94	Very high	44 Å²	44	61.7 Å²	61.7	21%	0.206	31%	0.314	C	S	.	.	H	α-helix	trans	-70.3	-47.1	168.9	-172	-173.5	163.7	0	0	110.1	K22 Y24 E25 A30 R31 R32	K22-E28 WeakPolarHBondContact CE-OE2 3.43Å; K22-E28 IonicContact NZ-OE1 2.79Å; K22-E28 PolarHBondContact NZ-OE1 3.5Å; K22-E28 IonicContact NZ-OE2 3.59Å; K22-E28 PolarHBondContact NZ-OE2 3.42Å; Y24-E28 HydrophobicContact CD1-CB 4.37Å; Y24-E28 HydrophobicContact CD1-CG 4.04Å; Y24-E28 HydrophobicContact CE1-CG 4.22Å; Y24-E28 WeakPolarHBondContact CE1-OE1 3.42Å; E25-E28 HydrophobicContact CB-CB 4.19Å; E25-E28 WeakPolarHBondContact O-CA 3.34Å; E25-E28 WeakPolarHBondContact O-CB 3.14Å; E25-E28 PolarHBondContact O-N 2.9Å; E28-A30 PolarHBondContact O-N 3.38Å; E28-R31 PolarHBondContact O-N 2.8Å; E28-R32 PolarHBondContact O-N 3.23Å; E28-R32 IonicContact OE1-CZ 2.76Å; E28-R32 IonicContact OE1-NE 3.91Å; E28-R32 PolarHBondContact OE1-NE 3.23Å; E28-R32 IonicContact OE1-NH2 2.64Å; E28-R32 PolarHBondContact OE1-NH2 3.4Å
29	L	98.1	Very high	95.3	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-60.2	-47	176.6	-172.9	55.5	0	0	0	110.8	Y24 E25 R26 R31 R32 L33 L50 A53 F59 I76 I108	Y24-L29 HydrophobicContact CD2-CD1 4.45Å; Y24-L29 HydrophobicContact CG-CB 4.42Å; Y24-L29 HydrophobicContact CG-CD1 4.28Å; E25-L29 PolarHBondContact O-N 2.95Å; R26-L29 PolarHBondContact O-N 2.84Å; L29-R31 VanDerWaalsContact C-N 3.3Å; L29-R31 PolarHBondContact O-N 3.17Å; L29-R32 WeakPolarHBondContact O-CA 3.44Å; L29-R32 WeakPolarHBondContact O-CB 3.35Å; L29-R32 PolarHBondContact O-N 3.16Å; L29-L33 HydrophobicContact CD1-CD1 4.33Å; L29-L33 HydrophobicContact CD1-CD2 4Å; L29-L33 HydrophobicContact CD1-CG 4Å; L29-L33 HydrophobicContact CG-CD1 3.93Å; L29-L33 HydrophobicContact CG-CG 4.04Å; L29-L33 WeakPolarHBondContact O-CG 3.35Å; L29-L33 PolarHBondContact O-N 3.16Å; L29-L50 HydrophobicContact CB-CD2 3.84Å; L29-L50 HydrophobicContact CD2-CD2 3.71Å; L29-L50 HydrophobicContact CG-CD2 3.69Å; L29-A53 HydrophobicContact CD2-CB 4.07Å; L29-F59 HydrophobicContact CD2-CB 4.37Å; L29-F59 HydrophobicContact CD2-CD1 3.35Å; L29-F59 HydrophobicContact CD2-CE1 3.68Å; L29-F59 HydrophobicContact CD2-CG 3.99Å; L29-I76 HydrophobicContact CD1-CD1 3.79Å; L29-I76 HydrophobicContact CD2-CD1 3.82Å; L29-I76 HydrophobicContact CG-CD1 4.49Å; L29-I108 HydrophobicContact CD1-CD1 3.42Å; L29-I108 VanDerWaalsContact CD1-CD1 3.42Å
30	A	97.9	Very high	96.2	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-49.9	-50	178.9	0	0	0	0	0	112.2	R26 E28 R32 L33 E34 V46 L50 L144 C147 V149	R26-A30 WeakPolarHBondContact O-CB 3.06Å; R26-A30 PolarHBondContact O-N 2.64Å; E28-A30 PolarHBondContact O-N 3.38Å; A30-R32 VanDerWaalsContact C-N 3.33Å; A30-R32 PolarHBondContact O-N 3.09Å; A30-L33 PolarHBondContact O-N 3.27Å; A30-E34 WeakPolarHBondContact O-CB 3.4Å; A30-E34 PolarHBondContact O-N 3.32Å; A30-V46 HydrophobicContact CB-CG1 4.06Å; A30-L50 HydrophobicContact CB-CD1 3.8Å; A30-L50 HydrophobicContact CB-CD2 4.44Å; A30-L144 HydrophobicContact CB-CD2 4.12Å; A30-C147 HydrophobicContact CB-CB 4.48Å; A30-V149 HydrophobicContact CB-CG1 3.78Å
31	R	96.5	Very high	96.7	Very high	133 Å²	133	55.3 Å²	55.3	50%	0.502	28%	0.283	S	S	.	.	H	α-helix	trans	-64.4	-35.5	178.4	-72.1	-178.6	-68.7	167.1	-2.1	112.6	C27 E28 L29 K35 V149	C27-R31 WeakPolarHBondContact O-CG 3.41Å; C27-R31 PolarHBondContact O-N 2.97Å; C27-R31 PolarHBondContact O-NE 2.82Å; C27-R31 VanDerWaalsContact O-NE 3.14Å; E28-R31 PolarHBondContact O-N 2.8Å; L29-R31 VanDerWaalsContact C-N 3.3Å; L29-R31 PolarHBondContact O-N 3.17Å; R31-K35 WeakPolarHBondContact O-CB 3.49Å; R31-K35 PolarHBondContact O-N 2.86Å; R31-V149 HydrophobicContact CG-CG1 4.21Å
32	R	96.8	Very high	96.9	Very high	97 Å²	97	59.9 Å²	59.9	37%	0.366	30%	0.296	S	S	.	.	H	α-helix	trans	-68.4	-46.4	176	-72.5	-177.3	-179.9	-102.4	7.5	111.9	Y24 E28 L29 A30 E34 K35 A36 I108	Y24-R32 PolarHBondContact OH-NE 2.93Å; E28-R32 PolarHBondContact O-N 3.23Å; E28-R32 IonicContact OE1-CZ 2.76Å; E28-R32 IonicContact OE1-NE 3.91Å; E28-R32 PolarHBondContact OE1-NE 3.23Å; E28-R32 IonicContact OE1-NH2 2.64Å; E28-R32 PolarHBondContact OE1-NH2 3.4Å; L29-R32 WeakPolarHBondContact O-CA 3.44Å; L29-R32 WeakPolarHBondContact O-CB 3.35Å; L29-R32 PolarHBondContact O-N 3.16Å; A30-R32 VanDerWaalsContact C-N 3.33Å; A30-R32 PolarHBondContact O-N 3.09Å; R32-E34 VanDerWaalsContact C-N 3.34Å; R32-K35 PolarHBondContact O-N 3.44Å; R32-A36 WeakPolarHBondContact O-CB 3.24Å; R32-A36 PolarHBondContact O-N 3.48Å; R32-I108 HydrophobicContact CB-CD1 4.44Å
33	L	97.6	Very high	96.8	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-62.7	-43	178	-60.3	-178.3	0	0	0	111	L29 A30 A36 G37 L38 V46 W49 L50 F77 I108 I112	L29-L33 HydrophobicContact CD1-CD1 4.33Å; L29-L33 HydrophobicContact CD1-CD2 4Å; L29-L33 HydrophobicContact CD1-CG 4Å; L29-L33 HydrophobicContact CG-CD1 3.93Å; L29-L33 HydrophobicContact CG-CG 4.04Å; L29-L33 WeakPolarHBondContact O-CG 3.35Å; L29-L33 PolarHBondContact O-N 3.16Å; A30-L33 PolarHBondContact O-N 3.27Å; L33-A36 PolarHBondContact O-N 2.03Å; L33-G37 PolarHBondContact O-N 3.37Å; L33-L38 HydrophobicContact CB-CB 4.38Å; L33-L38 HydrophobicContact CB-CD1 3.89Å; L33-L38 HydrophobicContact CD2-CD1 3.6Å; L33-L38 HydrophobicContact CG-CD1 4.21Å; L33-L38 WeakPolarHBondContact O-CB 3.29Å; L33-L38 PolarHBondContact O-N 2.88Å; L33-V46 HydrophobicContact CB-CG1 4.16Å; L33-V46 HydrophobicContact CD1-CG1 4.46Å; L33-W49 HydrophobicContact CD1-CB 3.74Å; L33-L50 HydrophobicContact CD1-CD2 3.96Å; L33-L50 HydrophobicContact CD1-CG 4.18Å; L33-F77 HydrophobicContact CD2-CZ 3.9Å; L33-I108 HydrophobicContact CD2-CD1 4.31Å; L33-I112 HydrophobicContact CD2-CD1 3.8Å; L33-I112 HydrophobicContact CD2-CG1 3.92Å
34	E	95.6	Very high	96.7	Very high	29 Å²	29	57.5 Å²	57.5	14%	0.136	30%	0.299	C	S	.	.	H	α-helix	trans	-60.5	-50.3	174.2	-178	170.9	-123.4	0	0	112	A30 R32 A36 G37 V46 V149 H150 L151	A30-E34 WeakPolarHBondContact O-CB 3.4Å; A30-E34 PolarHBondContact O-N 3.32Å; R32-E34 VanDerWaalsContact C-N 3.34Å; E34-A36 PolarHBondContact O-N 3Å; E34-G37 WeakPolarHBondContact O-CA 3.34Å; E34-G37 PolarHBondContact O-N 2.84Å; E34-V46 HydrophobicContact CB-CG2 4.02Å; E34-V149 WeakPolarHBondContact OE2-CA 3.4Å; E34-V149 VanDerWaalsContact OE2-CB 3.28Å; E34-V149 WeakPolarHBondContact OE2-CB 3.49Å; E34-H150 VanDerWaalsContact CD-N 3.3Å; E34-H150 PolarHBondContact OE1-N 3.03Å; E34-H150 VanDerWaalsContact OE1-N 3.17Å; E34-H150 PolarHBondContact OE2-N 2.87Å; E34-L151 PolarHBondContact OE1-N 2.96Å
35	K	95.8	Very high	96.6	Very high	194 Å²	194	60.1 Å²	60.1	84%	0.843	32%	0.316	S	S	*	.	H	α-helix	trans	-60.7	-31.5	178.3	-175.3	175.9	179.7	179.5	0	112.4	R31 R32 G37	R31-K35 WeakPolarHBondContact O-CB 3.49Å; R31-K35 PolarHBondContact O-N 2.86Å; R32-K35 PolarHBondContact O-N 3.44Å; K35-G37 PolarHBondContact O-N 3.32Å
36	A	96.4	Very high	96.6	Very high	28 Å²	28	53.2 Å²	53.2	23%	0.231	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	3	174.1	0	0	0	0	0	113.6	R32 L33 E34 I112 K116	R32-A36 WeakPolarHBondContact O-CB 3.24Å; R32-A36 PolarHBondContact O-N 3.48Å; L33-A36 PolarHBondContact O-N 2.03Å; E34-A36 PolarHBondContact O-N 3Å; A36-I112 HydrophobicContact CB-CD1 3.69Å; A36-I112 HydrophobicContact CB-CG2 3.95Å; A36-K116 PolarHBondContact O-NZ 3.42Å
37	G	95.6	Very high	96.6	Very high	39 Å²	39	49.6 Å²	49.6	40%	0.402	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.3	41.7	175.7	0	0	0	0	0	112.6	L33 E34 K35 K116	L33-G37 PolarHBondContact O-N 3.37Å; E34-G37 WeakPolarHBondContact O-CA 3.34Å; E34-G37 PolarHBondContact O-N 2.84Å; K35-G37 PolarHBondContact O-N 3.32Å; G37-K116 WeakPolarHBondContact O-CE 3.28Å; G37-K116 PolarHBondContact O-NZ 2.74Å
38	L	96.6	Very high	96.6	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.265	C	S	.	.			trans	-88.7	-18.3	170.7	-74.8	176.4	0	0	0	113.3	L33 G40 F41 W49 I112 K116	L33-L38 HydrophobicContact CB-CB 4.38Å; L33-L38 HydrophobicContact CB-CD1 3.89Å; L33-L38 HydrophobicContact CD2-CD1 3.6Å; L33-L38 HydrophobicContact CG-CD1 4.21Å; L33-L38 WeakPolarHBondContact O-CB 3.29Å; L33-L38 PolarHBondContact O-N 2.88Å; L38-G40 PolarHBondContact O-N 3.47Å; L38-G40 VanDerWaalsContact O-N 3.13Å; L38-F41 HydrophobicContact CD2-CB 4.35Å; L38-F41 WeakPolarHBondContact O-CB 3.2Å; L38-F41 PolarHBondContact O-N 3.1Å; L38-W49 HydrophobicContact CB-CG 4.22Å; L38-W49 HydrophobicContact CD1-CB 4.42Å; L38-W49 HydrophobicContact CD1-CD2 3.92Å; L38-W49 HydrophobicContact CD1-CE3 4.3Å; L38-W49 HydrophobicContact CD1-CG 3.96Å; L38-W49 HydrophobicContact CD2-CD2 4.02Å; L38-W49 HydrophobicContact CD2-CE3 4.48Å; L38-W49 HydrophobicContact CD2-CH2 4.12Å; L38-W49 HydrophobicContact CD2-CZ2 3.65Å; L38-W49 HydrophobicContact CG-CD2 4.4Å; L38-W49 HydrophobicContact CG-CG 4.5Å; L38-W49 PolarHBondContact O-NE1 2.88Å; L38-I112 HydrophobicContact CD1-CG1 4.16Å; L38-I112 HydrophobicContact CD1-CG2 3.79Å; L38-I112 HydrophobicContact CD2-CG2 4.09Å; L38-I112 HydrophobicContact CG-CG2 3.92Å; L38-K116 HydrophobicContact CD2-CD 4.11Å; L38-K116 HydrophobicContact CD2-CG 3.67Å
39	N	95	Very high	96.6	Very high	56 Å²	56	46.9 Å²	46.9	30%	0.299	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	114.8	175.4	-162.8	12.6	0	0	0	110.7	F41 V46 L151	N39-F41 VanDerWaalsContact C-N 3.29Å; N39-F41 PolarHBondContact O-N 3.16Å; N39-V46 HydrophobicContact CB-CG2 3.67Å; N39-L151 WeakPolarHBondContact ND2-CD2 3.41Å
40	G	95.1	Very high	96.7	Very high	48 Å²	48	46.9 Å²	46.9	50%	0.495	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.4	3.1	-176.3	0	0	0	0	0	114.5	L38 K42 G43 Y44	L38-G40 PolarHBondContact O-N 3.47Å; L38-G40 VanDerWaalsContact O-N 3.13Å; G40-K42 PolarHBondContact O-N 2.69Å; G40-G43 PolarHBondContact O-N 3.23Å; G40-G43 VanDerWaalsContact O-N 3.07Å; G40-Y44 CarbonylContact C-O 3.49Å; G40-Y44 VanDerWaalsContact CA-O 3.24Å; G40-Y44 WeakPolarHBondContact CA-O 3.35Å; G40-Y44 PolarHBondContact N-O 2.85Å
41	F	96.6	Very high	96.7	Very high	45 Å²	45	47 Å²	47	20%	0.197	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-63.9	116.1	179.4	-179.6	-94.3	0	0	0	109.8	L38 N39 G43 Y44 W49 K116 V119	L38-F41 HydrophobicContact CD2-CB 4.35Å; L38-F41 WeakPolarHBondContact O-CB 3.2Å; L38-F41 PolarHBondContact O-N 3.1Å; N39-F41 VanDerWaalsContact C-N 3.29Å; N39-F41 PolarHBondContact O-N 3.16Å; F41-G43 PolarHBondContact O-N 3.29Å; F41-Y44 PolarHBondContact N-O 3.29Å; F41-Y44 PolarHBondContact O-N 2.95Å; F41-Y44 VanDerWaalsContact O-N 3.09Å; F41-W49 AromaticContact CD1-CZ2 3.94Å; F41-W49 HydrophobicContact CD1-CZ2 3.94Å; F41-K116 HydrophobicContact CD1-CG 4.02Å; F41-K116 HydrophobicContact CD2-CD 4.11Å; F41-K116 HydrophobicContact CD2-CG 4.27Å; F41-K116 HydrophobicContact CE1-CB 3.83Å; F41-K116 HydrophobicContact CE1-CG 3.71Å; F41-K116 HydrophobicContact CE2-CB 4.29Å; F41-K116 HydrophobicContact CE2-CD 3.9Å; F41-K116 HydrophobicContact CE2-CG 3.99Å; F41-K116 HydrophobicContact CG-CG 4.28Å; F41-K116 HydrophobicContact CZ-CB 3.64Å; F41-K116 HydrophobicContact CZ-CD 4.11Å; F41-K116 HydrophobicContact CZ-CG 3.68Å; F41-V119 HydrophobicContact CE1-CB 4.36Å; F41-V119 HydrophobicContact CE1-CG1 4.4Å
42	K	96.4	Very high	96.8	Very high	131 Å²	131	40.6 Å²	40.6	57%	0.57	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.6	27	-175	-61.1	-70	-175.3	178.7	0	113.7	G40 Y44 V119	G40-K42 PolarHBondContact O-N 2.69Å; K42-Y44 HydrophobicContact CB-CD2 4.19Å; K42-Y44 HydrophobicContact CB-CE2 4.39Å; K42-V119 HydrophobicContact CB-CG1 3.95Å; K42-V119 HydrophobicContact CG-CG1 4.07Å
43	G	95.4	Very high	96.9	Very high	65 Å²	65	36 Å²	36	67%	0.67	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.2	1.9	-179.8	0	0	0	0	0	114.9	G40 F41	G40-G43 PolarHBondContact O-N 3.23Å; G40-G43 VanDerWaalsContact O-N 3.07Å; F41-G43 PolarHBondContact O-N 3.29Å
44	Y	96.6	Very high	96.9	Very high	38 Å²	38	39.7 Å²	39.7	15%	0.149	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-95.3	133.7	177.4	-60.3	-72.7	0	0	0	111.7	G40 F41 K42 D48 V119 S124 M125 W131	G40-Y44 CarbonylContact C-O 3.49Å; G40-Y44 VanDerWaalsContact CA-O 3.24Å; G40-Y44 WeakPolarHBondContact CA-O 3.35Å; G40-Y44 PolarHBondContact N-O 2.85Å; F41-Y44 PolarHBondContact N-O 3.29Å; F41-Y44 PolarHBondContact O-N 2.95Å; F41-Y44 VanDerWaalsContact O-N 3.09Å; K42-Y44 HydrophobicContact CB-CD2 4.19Å; K42-Y44 HydrophobicContact CB-CE2 4.39Å; Y44-D48 WeakPolarHBondContact CA-OD2 3.04Å; Y44-D48 HydrophobicContact CD1-CB 4.27Å; Y44-V119 HydrophobicContact CD2-CG1 4.09Å; Y44-V119 HydrophobicContact CE2-CG1 3.77Å; Y44-S124 WeakPolarHBondContact OH-CA 3.15Å; Y44-M125 HydrophobicContact CD1-CG 4.05Å; Y44-M125 HydrophobicContact CD1-SD 3.44Å; Y44-M125 WeakPolarHBondContact CD1-SD 3.45Å; Y44-M125 HydrophobicContact CD2-CG 3.99Å; Y44-M125 HydrophobicContact CD2-SD 4.11Å; Y44-M125 HydrophobicContact CE1-CB 4.07Å; Y44-M125 HydrophobicContact CE1-CG 3.87Å; Y44-M125 HydrophobicContact CE1-SD 3.77Å; Y44-M125 HydrophobicContact CE2-CB 4.43Å; Y44-M125 HydrophobicContact CE2-CG 3.81Å; Y44-M125 HydrophobicContact CE2-SD 4.4Å; Y44-M125 HydrophobicContact CG-CE 4.46Å; Y44-M125 HydrophobicContact CG-CG 4.1Å; Y44-M125 HydrophobicContact CG-SD 3.62Å; Y44-M125 PolarHBondContact OH-N 3Å; Y44-W131 HydrophobicContact CD1-CH2 4.09Å; Y44-W131 HydrophobicContact CD1-CZ2 4.11Å; Y44-W131 HydrophobicContact CE1-CH2 4.15Å; Y44-W131 AromaticContact CE1-CZ2 3.68Å; Y44-W131 HydrophobicContact CE1-CZ2 3.68Å
45	T	96.3	Very high	97	Very high	60 Å²	60	43.5 Å²	43.5	37%	0.368	25%	0.245	S	C	.	.			trans	-78.9	166.5	175.6	71.1	0	0	0	0	111.7	G47 D48 W49	T45-G47 PolarHBondContact O-N 3.39Å; T45-G47 PolarHBondContact OG1-N 3.5Å; T45-D48 WeakPolarHBondContact CA-OD2 3.36Å; T45-D48 WeakPolarHBondContact CB-OD2 3.47Å; T45-D48 PolarHBondContact N-OD2 3.38Å; T45-D48 WeakPolarHBondContact O-CB 3.49Å; T45-D48 PolarHBondContact O-N 2.72Å; T45-D48 VanDerWaalsContact O-N 3.16Å; T45-D48 VanDerWaalsContact OG1-CG 3.26Å; T45-D48 PolarHBondContact OG1-N 2.8Å; T45-D48 PolarHBondContact OG1-OD2 2.93Å; T45-W49 PolarHBondContact O-N 3.12Å
46	V	97.2	Very high	97.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-60.5	-33.2	171.9	176.9	0	0	0	0	112	A30 L33 E34 N39 D48 W49 L50 L144	A30-V46 HydrophobicContact CB-CG1 4.06Å; L33-V46 HydrophobicContact CB-CG1 4.16Å; L33-V46 HydrophobicContact CD1-CG1 4.46Å; E34-V46 HydrophobicContact CB-CG2 4.02Å; N39-V46 HydrophobicContact CB-CG2 3.67Å; V46-D48 VanDerWaalsContact C-N 3.27Å; V46-D48 PolarHBondContact O-N 3.36Å; V46-W49 PolarHBondContact O-N 2.98Å; V46-L50 HydrophobicContact CG1-CD1 4.09Å; V46-L50 HydrophobicContact CG1-CG 4.23Å; V46-L50 WeakPolarHBondContact O-CG 3.42Å; V46-L50 PolarHBondContact O-N 3.37Å; V46-L144 HydrophobicContact CB-CD2 4.11Å; V46-L144 HydrophobicContact CG1-CD2 3.85Å
47	G	97.6	Very high	97.3	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.01	21%	0.206	C	C	.	.	H	α-helix	trans	-60.7	-37.2	176	0	0	0	0	0	112.5	T45 L50 C51	T45-G47 PolarHBondContact O-N 3.39Å; T45-G47 PolarHBondContact OG1-N 3.5Å; G47-L50 PolarHBondContact O-N 3.36Å; G47-C51 WeakPolarHBondContact O-CB 3Å; G47-C51 PolarHBondContact O-N 3.42Å
48	D	97.9	Very high	97.4	Very high	21 Å²	21	35.2 Å²	35.2	11%	0.112	21%	0.205	C	C	.	.	H	α-helix	trans	-62.1	-48.3	176.2	-59.7	-43.6	0	0	0	111.3	Y44 T45 V46 L50 C51 V52 M125 W131 L140	Y44-D48 WeakPolarHBondContact CA-OD2 3.04Å; Y44-D48 HydrophobicContact CD1-CB 4.27Å; T45-D48 WeakPolarHBondContact CA-OD2 3.36Å; T45-D48 WeakPolarHBondContact CB-OD2 3.47Å; T45-D48 PolarHBondContact N-OD2 3.38Å; T45-D48 WeakPolarHBondContact O-CB 3.49Å; T45-D48 PolarHBondContact O-N 2.72Å; T45-D48 VanDerWaalsContact O-N 3.16Å; T45-D48 VanDerWaalsContact OG1-CG 3.26Å; T45-D48 PolarHBondContact OG1-N 2.8Å; T45-D48 PolarHBondContact OG1-OD2 2.93Å; V46-D48 VanDerWaalsContact C-N 3.27Å; V46-D48 PolarHBondContact O-N 3.36Å; D48-L50 PolarHBondContact O-N 2.94Å; D48-C51 WeakPolarHBondContact O-CB 3.4Å; D48-C51 PolarHBondContact O-N 2.96Å; D48-V52 PolarHBondContact O-N 3.24Å; D48-V52 VanDerWaalsContact O-N 3.09Å; D48-M125 HydrophobicContact CB-CE 4.42Å; D48-M125 HydrophobicContact CB-SD 4.04Å; D48-W131 HydrophobicContact CB-CH2 3.74Å; D48-W131 HydrophobicContact CB-CZ3 3.52Å; D48-W131 VanDerWaalsContact OD1-CH2 3.32Å; D48-W131 WeakPolarHBondContact OD1-CH2 3.49Å; D48-L140 WeakPolarHBondContact OD1-CD1 3.34Å
49	W	98.4	Very high	97.5	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-66.2	-35.2	178	-65	101	0	0	0	113.2	L33 L38 F41 T45 V46 A53 F77 A115 V119 M125 W128	L33-W49 HydrophobicContact CD1-CB 3.74Å; L38-W49 HydrophobicContact CB-CG 4.22Å; L38-W49 HydrophobicContact CD1-CB 4.42Å; L38-W49 HydrophobicContact CD1-CD2 3.92Å; L38-W49 HydrophobicContact CD1-CE3 4.3Å; L38-W49 HydrophobicContact CD1-CG 3.96Å; L38-W49 HydrophobicContact CD2-CD2 4.02Å; L38-W49 HydrophobicContact CD2-CE3 4.48Å; L38-W49 HydrophobicContact CD2-CH2 4.12Å; L38-W49 HydrophobicContact CD2-CZ2 3.65Å; L38-W49 HydrophobicContact CG-CD2 4.4Å; L38-W49 HydrophobicContact CG-CG 4.5Å; L38-W49 PolarHBondContact O-NE1 2.88Å; F41-W49 AromaticContact CD1-CZ2 3.94Å; F41-W49 HydrophobicContact CD1-CZ2 3.94Å; T45-W49 PolarHBondContact O-N 3.12Å; V46-W49 PolarHBondContact O-N 2.98Å; W49-A53 WeakPolarHBondContact O-CB 3.49Å; W49-A53 PolarHBondContact O-N 3.41Å; W49-F77 HydrophobicContact CE3-CE1 4.21Å; W49-F77 HydrophobicContact CE3-CZ 4.47Å; W49-A115 HydrophobicContact CH2-CB 4.49Å; W49-A115 HydrophobicContact CZ3-CB 3.85Å; W49-V119 HydrophobicContact CH2-CB 4.33Å; W49-V119 HydrophobicContact CH2-CG2 3.48Å; W49-V119 VanDerWaalsContact CH2-CG2 3.48Å; W49-V119 HydrophobicContact CZ2-CG2 4.15Å; W49-V119 HydrophobicContact CZ3-CG2 4.26Å; W49-M125 HydrophobicContact CD2-CE 3.21Å; W49-M125 VanDerWaalsContact CE2-CE 3.41Å; W49-M125 HydrophobicContact CE3-CE 3.25Å; W49-M125 HydrophobicContact CG-CE 3.82Å; W49-M125 HydrophobicContact CH2-CE 3.77Å; W49-M125 HydrophobicContact CZ2-CE 3.69Å; W49-M125 HydrophobicContact CZ3-CE 3.54Å; W49-W128 HydrophobicContact CZ3-CH2 4.27Å
50	L	98.4	Very high	97.7	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-65.3	-41.7	172.8	-72.7	172.2	0	0	0	111.3	R26 L29 A30 L33 V46 G47 D48 A53 H54 F59 W143 L144	R26-L50 HydrophobicContact CG-CD1 4.36Å; L29-L50 HydrophobicContact CB-CD2 3.84Å; L29-L50 HydrophobicContact CD2-CD2 3.71Å; L29-L50 HydrophobicContact CG-CD2 3.69Å; A30-L50 HydrophobicContact CB-CD1 3.8Å; A30-L50 HydrophobicContact CB-CD2 4.44Å; L33-L50 HydrophobicContact CD1-CD2 3.96Å; L33-L50 HydrophobicContact CD1-CG 4.18Å; V46-L50 HydrophobicContact CG1-CD1 4.09Å; V46-L50 HydrophobicContact CG1-CG 4.23Å; V46-L50 WeakPolarHBondContact O-CG 3.42Å; V46-L50 PolarHBondContact O-N 3.37Å; G47-L50 PolarHBondContact O-N 3.36Å; D48-L50 PolarHBondContact O-N 2.94Å; L50-A53 PolarHBondContact O-N 3.19Å; L50-H54 WeakPolarHBondContact O-CB 3.19Å; L50-H54 PolarHBondContact O-N 3.35Å; L50-F59 HydrophobicContact CD2-CE1 4.29Å; L50-F59 HydrophobicContact CD2-CZ 4.4Å; L50-F59 VanDerWaalsContact O-CE1 3.29Å; L50-F59 WeakPolarHBondContact O-CE1 3.45Å; L50-W143 HydrophobicContact CB-CB 4.29Å; L50-W143 HydrophobicContact CB-CD2 4.28Å; L50-W143 HydrophobicContact CB-CE3 4.04Å; L50-W143 HydrophobicContact CB-CG 4.41Å; L50-W143 HydrophobicContact CD1-CB 4.14Å; L50-W143 WeakPolarHBondContact CD1-O 3.38Å; L50-L144 HydrophobicContact CD1-CD2 3.85Å
51	C	98.5	Very high	97.8	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.007	18%	0.179	C	C	.	.	H	α-helix	trans	-60.8	-48.4	177.5	-172.7	0	0	0	0	111.2	G47 D48 H54 Y55 C135 L140 W143	G47-C51 WeakPolarHBondContact O-CB 3Å; G47-C51 PolarHBondContact O-N 3.42Å; D48-C51 WeakPolarHBondContact O-CB 3.4Å; D48-C51 PolarHBondContact O-N 2.96Å; C51-H54 PolarHBondContact O-N 3.27Å; C51-Y55 WeakPolarHBondContact O-CD2 3.32Å; C51-Y55 PolarHBondContact O-N 2.86Å; C51-Y55 VanDerWaalsContact O-N 3.09Å; C51-C135 VanDerWaalsContact C-SG 3.53Å; C51-C135 HydrophobicContact CB-CB 3.82Å; C51-C135 WeakPolarHBondContact CB-SG 3.48Å; C51-C135 WeakPolarHBondContact SG-CA 3.06Å; C51-C135 WeakPolarHBondContact SG-CB 3.05Å; C51-C135 CovalentContact SG-SG 2.03Å; C51-C135 PolarHBondContact SG-SG 2.86Å; C51-L140 HydrophobicContact CB-CD1 4.07Å; C51-L140 HydrophobicContact CB-CD2 4.16Å; C51-W143 HydrophobicContact CB-CZ2 4.36Å
52	V	98.4	Very high	97.9	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-58.2	-54.6	175.4	176.3	0	0	0	0	110.9	D48 H54 Y55 E56 M125 W128 W131	D48-V52 PolarHBondContact O-N 3.24Å; D48-V52 VanDerWaalsContact O-N 3.09Å; V52-H54 PolarHBondContact O-N 3.33Å; V52-H54 VanDerWaalsContact O-N 3.13Å; V52-Y55 PolarHBondContact O-N 2.97Å; V52-Y55 VanDerWaalsContact O-N 3.16Å; V52-E56 HydrophobicContact CG1-CG 3.73Å; V52-E56 VanDerWaalsContact O-CB 3.28Å; V52-E56 WeakPolarHBondContact O-CB 3.38Å; V52-E56 VanDerWaalsContact O-CG 3.22Å; V52-E56 WeakPolarHBondContact O-CG 3.37Å; V52-E56 PolarHBondContact O-N 3.16Å; V52-M125 HydrophobicContact CG2-CE 4.07Å; V52-M125 HydrophobicContact CG2-SD 4.31Å; V52-W128 HydrophobicContact CG1-CB 4.3Å; V52-W128 HydrophobicContact CG1-CD2 4Å; V52-W128 HydrophobicContact CG1-CG 3.86Å; V52-W131 HydrophobicContact CG2-CB 4.01Å; V52-W131 HydrophobicContact CG2-CD2 4.35Å; V52-W131 HydrophobicContact CG2-CE3 3.65Å
53	A	98.6	Very high	98	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-57.5	-33.4	-178.6	0	0	0	0	0	113	L29 W49 L50 S57 G58 F59 I76 F77	L29-A53 HydrophobicContact CD2-CB 4.07Å; W49-A53 WeakPolarHBondContact O-CB 3.49Å; W49-A53 PolarHBondContact O-N 3.41Å; L50-A53 PolarHBondContact O-N 3.19Å; A53-S57 PolarHBondContact O-N 3.13Å; A53-S57 VanDerWaalsContact O-N 3.16Å; A53-S57 PolarHBondContact O-OG 3.29Å; A53-G58 PolarHBondContact O-N 2.91Å; A53-F59 HydrophobicContact CB-CD1 3.81Å; A53-F59 HydrophobicContact CB-CE1 3.93Å; A53-F59 PolarHBondContact O-N 2.99Å; A53-I76 HydrophobicContact CB-CG1 4.08Å; A53-F77 HydrophobicContact CB-CD1 4.21Å; A53-F77 HydrophobicContact CB-CE1 3.9Å
54	H	98.6	Very high	98.1	Very high	77 Å²	77	29.7 Å²	29.7	36%	0.356	16%	0.158	S	C	.	.	H	α-helix	trans	-68.5	-50.6	176.5	-179.1	74.6	0	0	0	112.4	L50 C51 V52 E56 G58 F59 W143	L50-H54 WeakPolarHBondContact O-CB 3.19Å; L50-H54 PolarHBondContact O-N 3.35Å; C51-H54 PolarHBondContact O-N 3.27Å; V52-H54 PolarHBondContact O-N 3.33Å; V52-H54 VanDerWaalsContact O-N 3.13Å; H54-E56 VanDerWaalsContact C-N 3.33Å; H54-G58 VanDerWaalsContact O-CA 3.24Å; H54-G58 WeakPolarHBondContact O-CA 3.34Å; H54-G58 PolarHBondContact O-N 2.85Å; H54-F59 HydrophobicContact CB-CD1 4.36Å; H54-F59 HydrophobicContact CB-CE1 3.66Å; H54-F59 HydrophobicContact CB-CE2 4.47Å; H54-F59 HydrophobicContact CB-CZ 3.72Å; H54-W143 HydrophobicContact CB-CH2 3.46Å; H54-W143 VanDerWaalsContact CB-CH2 3.46Å; H54-W143 HydrophobicContact CB-CZ2 4.22Å; H54-W143 HydrophobicContact CB-CZ3 3.91Å; H54-W143 AromaticContact CD2-CH2 3.58Å; H54-W143 AromaticContact CG-CH2 3.37Å; H54-W143 AromaticContact ND1-CH2 3.95Å
55	Y	98.4	Very high	98.2	Very high	109 Å²	109	31.8 Å²	31.8	43%	0.427	17%	0.172	S	C	.	.	H	α-helix	trans	-76.6	-21.8	-176.1	-77.6	-76.6	0	0	0	113.4	C51 V52 H134 W143	C51-Y55 WeakPolarHBondContact O-CD2 3.32Å; C51-Y55 PolarHBondContact O-N 2.86Å; C51-Y55 VanDerWaalsContact O-N 3.09Å; V52-Y55 PolarHBondContact O-N 2.97Å; V52-Y55 VanDerWaalsContact O-N 3.16Å; Y55-H134 HydrophobicContact CD1-CB 3.95Å; Y55-H134 AromaticContact CD1-CD2 3.62Å; Y55-H134 AromaticContact CD1-CG 3.63Å; Y55-H134 HydrophobicContact CD2-CB 3.54Å; Y55-H134 HydrophobicContact CE1-CB 3.83Å; Y55-H134 AromaticContact CE1-CG 3.58Å; Y55-H134 AromaticContact CE1-ND1 3.71Å; Y55-H134 HydrophobicContact CE2-CB 3.42Å; Y55-H134 VanDerWaalsContact CE2-CB 3.42Å; Y55-H134 HydrophobicContact CG-CB 3.81Å; Y55-H134 AromaticContact CG-CD2 3.91Å; Y55-H134 AromaticContact CG-CG 3.93Å; Y55-H134 AromaticContact CZ-CG 3.83Å; Y55-W143 HydrophobicContact CE2-CZ2 4.4Å
56	E	98.4	Very high	98.3	Very high	39 Å²	39	35.1 Å²	35.1	18%	0.182	18%	0.184	C	C	.	.	H	α-helix	trans	-80.5	-44.3	175.5	-70.2	-59.6	160.2	0	0	112.5	V52 H54 F63 Q78 W128 S130	V52-E56 HydrophobicContact CG1-CG 3.73Å; V52-E56 VanDerWaalsContact O-CB 3.28Å; V52-E56 WeakPolarHBondContact O-CB 3.38Å; V52-E56 VanDerWaalsContact O-CG 3.22Å; V52-E56 WeakPolarHBondContact O-CG 3.37Å; V52-E56 PolarHBondContact O-N 3.16Å; H54-E56 VanDerWaalsContact C-N 3.33Å; E56-F63 WeakPolarHBondContact O-CD1 3.4Å; E56-F63 WeakPolarHBondContact O-CE1 3.36Å; E56-Q78 HydrophobicContact CB-CB 4.09Å; E56-Q78 HydrophobicContact CB-CG 3.71Å; E56-Q78 HydrophobicContact CG-CB 4.4Å; E56-Q78 VanDerWaalsContact O-CG 3.3Å; E56-Q78 WeakPolarHBondContact O-CG 3.45Å; E56-Q78 WeakPolarHBondContact OE2-CB 3.47Å; E56-W128 WeakPolarHBondContact OE1-CB 3.36Å; E56-W128 VanDerWaalsContact OE1-CD1 3.28Å; E56-S130 VanDerWaalsContact CD-OG 3.3Å; E56-S130 WeakPolarHBondContact OE1-CB 3.41Å; E56-S130 PolarHBondContact OE1-OG 2.88Å
57	S	98.7	Very high	98.3	Very high	12 Å²	12	37.3 Å²	37.3	8%	0.084	20%	0.195	C	C	.	.	H	α-helix	trans	-138.1	-2.2	-170.1	64.8	0	0	0	0	115.3	A53 F59 D60 I76	A53-S57 PolarHBondContact O-N 3.13Å; A53-S57 VanDerWaalsContact O-N 3.16Å; A53-S57 PolarHBondContact O-OG 3.29Å; S57-F59 PolarHBondContact O-N 3.09Å; S57-F59 PolarHBondContact OG-N 3.47Å; S57-D60 WeakPolarHBondContact O-CB 3.22Å; S57-D60 PolarHBondContact O-N 3.29Å; S57-D60 VanDerWaalsContact O-N 3.12Å; S57-I76 WeakPolarHBondContact OG-CA 3.49Å; S57-I76 PolarHBondContact OG-O 2.93Å
58	G	98.5	Very high	98.3	Very high	37 Å²	37	44 Å²	44	38%	0.381	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	62	25.8	-170.4	0	0	0	0	0	113.2	A53 H54 D60	A53-G58 PolarHBondContact O-N 2.91Å; H54-G58 VanDerWaalsContact O-CA 3.24Å; H54-G58 WeakPolarHBondContact O-CA 3.34Å; H54-G58 PolarHBondContact O-N 2.85Å; G58-D60 VanDerWaalsContact C-N 3.28Å; G58-D60 PolarHBondContact O-N 2.9Å
59	F	98.7	Very high	98.1	Very high	16 Å²	16	48.9 Å²	48.9	7%	0.07	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.5	13.3	-172.6	-48.1	-43.3	0	0	0	116	I23 Y24 R26 L29 L50 A53 H54 S57 W143	I23-F59 WeakPolarHBondContact CA-O 3.35Å; Y24-F59 PolarHBondContact N-O 2.95Å; Y24-F59 WeakPolarHBondContact O-CB 3.42Å; Y24-F59 WeakPolarHBondContact O-CD2 3.12Å; R26-F59 HydrophobicContact CB-CE2 4.13Å; L29-F59 HydrophobicContact CD2-CB 4.37Å; L29-F59 HydrophobicContact CD2-CD1 3.35Å; L29-F59 HydrophobicContact CD2-CE1 3.68Å; L29-F59 HydrophobicContact CD2-CG 3.99Å; L50-F59 HydrophobicContact CD2-CE1 4.29Å; L50-F59 HydrophobicContact CD2-CZ 4.4Å; L50-F59 VanDerWaalsContact O-CE1 3.29Å; L50-F59 WeakPolarHBondContact O-CE1 3.45Å; A53-F59 HydrophobicContact CB-CD1 3.81Å; A53-F59 HydrophobicContact CB-CE1 3.93Å; A53-F59 PolarHBondContact O-N 2.99Å; H54-F59 HydrophobicContact CB-CD1 4.36Å; H54-F59 HydrophobicContact CB-CE1 3.66Å; H54-F59 HydrophobicContact CB-CE2 4.47Å; H54-F59 HydrophobicContact CB-CZ 3.72Å; S57-F59 PolarHBondContact O-N 3.09Å; S57-F59 PolarHBondContact OG-N 3.47Å; F59-W143 HydrophobicContact CE2-CZ3 4.33Å; F59-W143 HydrophobicContact CZ-CE3 4.28Å; F59-W143 AromaticContact CZ-CZ3 3.69Å; F59-W143 HydrophobicContact CZ-CZ3 3.69Å
60	D	98.6	Very high	98	Very high	34 Å²	34	51 Å²	51	18%	0.182	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-85.1	115.2	177.1	-172	-8.4	0	0	0	111.4	I23 S57 G58 S62 F63	I23-D60 HydrophobicContact CD1-CB 4.47Å; I23-D60 HydrophobicContact CG1-CB 3.89Å; S57-D60 WeakPolarHBondContact O-CB 3.22Å; S57-D60 PolarHBondContact O-N 3.29Å; S57-D60 VanDerWaalsContact O-N 3.12Å; G58-D60 VanDerWaalsContact C-N 3.28Å; G58-D60 PolarHBondContact O-N 2.9Å; D60-S62 VanDerWaalsContact CG-OG 3.32Å; D60-S62 PolarHBondContact O-N 3.45Å; D60-S62 WeakPolarHBondContact OD1-CB 3.49Å; D60-S62 PolarHBondContact OD1-N 2.8Å; D60-S62 PolarHBondContact OD1-OG 3.27Å; D60-S62 PolarHBondContact OD2-OG 2.89Å; D60-F63 HydrophobicContact CB-CB 4.21Å; D60-F63 WeakPolarHBondContact O-CB 3.34Å; D60-F63 PolarHBondContact O-N 3.13Å
61	T	98.6	Very high	98	Very high	0 Å²	0	51 Å²	51	0%	0	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-18.4	176.5	68.7	0	0	0	0	113	K22 Y24 F63 I76 L104 N105 I108	K22-T61 PolarHBondContact N-OG1 2.74Å; K22-T61 WeakPolarHBondContact O-CG2 3.44Å; K22-T61 PolarHBondContact O-N 2.89Å; K22-T61 PolarHBondContact O-OG1 3.48Å; Y24-T61 HydrophobicContact CD2-CG2 3.92Å; Y24-T61 HydrophobicContact CE2-CG2 3.73Å; T61-F63 VanDerWaalsContact C-N 3.32Å; T61-I76 HydrophobicContact CG2-CB 4.38Å; T61-I76 HydrophobicContact CG2-CD1 4.38Å; T61-L104 CarbonylContact O-C 3.53Å; T61-L104 VanDerWaalsContact O-CA 3.27Å; T61-L104 WeakPolarHBondContact O-CA 3.44Å; T61-N105 WeakPolarHBondContact CB-O 3.43Å; T61-N105 PolarHBondContact OG1-O 3.2Å; T61-I108 HydrophobicContact CG2-CG2 3.51Å
62	S	97.8	Very high	98	Very high	55 Å²	55	51.4 Å²	51.4	39%	0.385	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-1.7	177.9	63.6	0	0	0	0	114.1	D60 V64	D60-S62 VanDerWaalsContact CG-OG 3.32Å; D60-S62 PolarHBondContact O-N 3.45Å; D60-S62 WeakPolarHBondContact OD1-CB 3.49Å; D60-S62 PolarHBondContact OD1-N 2.8Å; D60-S62 PolarHBondContact OD1-OG 3.27Å; D60-S62 PolarHBondContact OD2-OG 2.89Å; S62-V64 PolarHBondContact O-N 2.51Å
63	F	98.4	Very high	98	Very high	80 Å²	80	53 Å²	53	35%	0.351	30%	0.297	S	S	.	.			trans	-67.6	127.7	-172.5	-166.6	-114.6	0	0	0	111.4	E56 D60 T61 D65 G75 Q78	E56-F63 WeakPolarHBondContact O-CD1 3.4Å; E56-F63 WeakPolarHBondContact O-CE1 3.36Å; D60-F63 HydrophobicContact CB-CB 4.21Å; D60-F63 WeakPolarHBondContact O-CB 3.34Å; D60-F63 PolarHBondContact O-N 3.13Å; T61-F63 VanDerWaalsContact C-N 3.32Å; F63-D65 HydrophobicContact CE1-CB 4.31Å; F63-G75 PolarHBondContact O-N 3.49Å; F63-Q78 HydrophobicContact CD1-CG 4.23Å; F63-Q78 VanDerWaalsContact CD1-NE2 3.34Å; F63-Q78 PolarHBondContact O-NE2 3.37Å; F63-Q78 VanDerWaalsContact O-NE2 3.09Å
64	V	98.4	Very high	98	Very high	43 Å²	43	53.8 Å²	53.8	26%	0.261	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	126.7	176	178.7	0	0	0	0	108.1	S62 E73 Y74 L104	S62-V64 PolarHBondContact O-N 2.51Å; V64-E73 VanDerWaalsContact CA-O 3.28Å; V64-E73 WeakPolarHBondContact CA-O 3.35Å; V64-Y74 HydrophobicContact CG1-CE1 4.31Å; V64-Y74 HydrophobicContact CG2-CD1 4.06Å; V64-Y74 HydrophobicContact CG2-CE1 4.35Å; V64-L104 HydrophobicContact CG2-CD1 3.79Å; V64-L104 HydrophobicContact CG2-CD2 3.63Å; V64-L104 HydrophobicContact CG2-CG 4.38Å
65	D	98.1	Very high	98	Very high	82 Å²	82	50.1 Å²	50.1	44%	0.439	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	146.7	171	-165.2	17.5	0	0	0	110.7	F63 S72 E73	F63-D65 HydrophobicContact CE1-CB 4.31Å; D65-S72 CarbonylContact O-C 3.46Å; D65-S72 WeakPolarHBondContact O-CA 3.22Å; D65-S72 WeakPolarHBondContact O-CB 3.3Å; D65-E73 HydrophobicContact CB-CB 4.27Å; D65-E73 PolarHBondContact N-O 3.33Å; D65-E73 VanDerWaalsContact N-O 3.15Å; D65-E73 PolarHBondContact O-N 3.2Å
66	H	98.1	Very high	98	Very high	131 Å²	131	45 Å²	45	61%	0.606	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.4	120.4	-173.6	-64.4	-60.1	0	0	0	110.9	S72	H66-S72 PolarHBondContact ND1-OG 2.72Å
67	N	97.4	Very high	98	Very high	45 Å²	45	43.1 Å²	43.1	24%	0.241	25%	0.254	C	S	.	.			trans	-85.9	149.9	-178	-68.1	-43.6	0	0	0	111.8	D69 G70 S71 E73 N80	N67-D69 WeakPolarHBondContact CB-OD1 3.28Å; N67-D69 PolarHBondContact O-N 3.41Å; N67-D69 VanDerWaalsContact O-N 3.13Å; N67-G70 PolarHBondContact O-N 2.66Å; N67-S71 WeakPolarHBondContact CB-O 3.17Å; N67-S71 WeakPolarHBondContact CB-OG 3.47Å; N67-S71 PolarHBondContact N-O 3Å; N67-S71 PolarHBondContact ND2-OG 3.37Å; N67-E73 PolarHBondContact ND2-OE1 2.73Å; N67-N80 PolarHBondContact ND2-ND2 3.16Å
68	P	96.4	Very high	98	Very high	143 Å²	143	43 Å²	43	93%	0.929	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-22	177.7	-25.1	34.7	0	0	0	114.9	G70	P68-G70 PolarHBondContact O-N 3.36Å
69	D	94.8	Very high	98	Very high	122 Å²	122	41.3 Å²	41.3	65%	0.652	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-0.3	177.3	70.6	-7.5	0	0	0	113.4	N67 S71	N67-D69 WeakPolarHBondContact CB-OD1 3.28Å; N67-D69 PolarHBondContact O-N 3.41Å; N67-D69 VanDerWaalsContact O-N 3.13Å; D69-S71 VanDerWaalsContact C-N 3.32Å; D69-S71 VanDerWaalsContact OD1-CB 3.29Å; D69-S71 WeakPolarHBondContact OD1-CB 3.5Å; D69-S71 PolarHBondContact OD1-N 3.34Å; D69-S71 PolarHBondContact OD1-OG 3.33Å; D69-S71 PolarHBondContact OD2-OG 3.09Å
70	G	95.8	Very high	98	Very high	44 Å²	44	41.4 Å²	41.4	45%	0.454	24%	0.235	S	C	.	.	S	Bend	trans	84.4	0.9	-178.6	0	0	0	0	0	114.3	N67 P68 T90	N67-G70 PolarHBondContact O-N 2.66Å; P68-G70 PolarHBondContact O-N 3.36Å; G70-T90 PolarHBondContact O-OG1 3.5Å
71	S	98.2	Very high	98	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.007	23%	0.227	C	C	.	.			trans	-75.7	168.6	163.4	72.6	0	0	0	0	110.8	N67 D69 N80 S81	N67-S71 WeakPolarHBondContact CB-O 3.17Å; N67-S71 WeakPolarHBondContact CB-OG 3.47Å; N67-S71 PolarHBondContact N-O 3Å; N67-S71 PolarHBondContact ND2-OG 3.37Å; D69-S71 VanDerWaalsContact C-N 3.32Å; D69-S71 VanDerWaalsContact OD1-CB 3.29Å; D69-S71 WeakPolarHBondContact OD1-CB 3.5Å; D69-S71 PolarHBondContact OD1-N 3.34Å; D69-S71 PolarHBondContact OD1-OG 3.33Å; D69-S71 PolarHBondContact OD2-OG 3.09Å; S71-N80 PolarHBondContact OG-ND2 2.79Å; S71-S81 WeakPolarHBondContact CA-OG 3.36Å
72	S	98.6	Very high	98	Very high	9 Å²	9	40.7 Å²	40.7	6%	0.063	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	153	173.4	-52.7	0	0	0	0	109.7	D65 H66 Y74 N80 S81	D65-S72 CarbonylContact O-C 3.46Å; D65-S72 WeakPolarHBondContact O-CA 3.22Å; D65-S72 WeakPolarHBondContact O-CB 3.3Å; H66-S72 PolarHBondContact ND1-OG 2.72Å; S72-Y74 VanDerWaalsContact CB-CE2 3.49Å; S72-Y74 VanDerWaalsContact O-CD2 3.31Å; S72-Y74 WeakPolarHBondContact O-CD2 3.35Å; S72-Y74 VanDerWaalsContact O-CE2 3.23Å; S72-Y74 WeakPolarHBondContact O-CE2 3.44Å; S72-N80 CarbonylContact O-C 3.54Å; S72-N80 WeakPolarHBondContact O-CA 3.38Å; S72-S81 PolarHBondContact N-OG 3.49Å; S72-S81 PolarHBondContact O-N 2.77Å; S72-S81 PolarHBondContact O-OG 3.2Å
73	E	98.5	Very high	98	Very high	35 Å²	35	44.7 Å²	44.7	16%	0.164	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	137.3	177	-56.1	-56.6	160.1	0	0	109.8	V64 D65 N67 Q78 N80	V64-E73 VanDerWaalsContact CA-O 3.28Å; V64-E73 WeakPolarHBondContact CA-O 3.35Å; D65-E73 HydrophobicContact CB-CB 4.27Å; D65-E73 PolarHBondContact N-O 3.33Å; D65-E73 VanDerWaalsContact N-O 3.15Å; D65-E73 PolarHBondContact O-N 3.2Å; N67-E73 PolarHBondContact ND2-OE1 2.73Å; E73-Q78 HydrophobicContact CB-CB 3.86Å; E73-Q78 HydrophobicContact CB-CG 4.28Å; E73-Q78 HydrophobicContact CG-CB 4.44Å; E73-N80 WeakPolarHBondContact OE1-CB 2.86Å; E73-N80 PolarHBondContact OE1-ND2 3.09Å; E73-N80 WeakPolarHBondContact OE2-CA 3.24Å; E73-N80 WeakPolarHBondContact OE2-CB 3.48Å; E73-N80 PolarHBondContact OE2-N 3.18Å
74	Y	98.8	Very high	98	Very high	16 Å²	16	42 Å²	42	6%	0.063	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	136.7	-172.8	-66.3	-101.3	0	0	0	112.7	V64 S72 Q78 L79 N87 C100 L104	V64-Y74 HydrophobicContact CG1-CE1 4.31Å; V64-Y74 HydrophobicContact CG2-CD1 4.06Å; V64-Y74 HydrophobicContact CG2-CE1 4.35Å; S72-Y74 VanDerWaalsContact CB-CE2 3.49Å; S72-Y74 VanDerWaalsContact O-CD2 3.31Å; S72-Y74 WeakPolarHBondContact O-CD2 3.35Å; S72-Y74 VanDerWaalsContact O-CE2 3.23Å; S72-Y74 WeakPolarHBondContact O-CE2 3.44Å; Y74-Q78 WeakPolarHBondContact O-CA 3.43Å; Y74-Q78 PolarHBondContact O-N 3.25Å; Y74-L79 PolarHBondContact N-O 2.57Å; Y74-L79 PolarHBondContact O-N 3.35Å; Y74-N87 PolarHBondContact OH-ND2 3.06Å; Y74-C100 HydrophobicContact CD1-CB 3.6Å; Y74-C100 HydrophobicContact CD2-CB 3.79Å; Y74-C100 HydrophobicContact CE1-CB 3.63Å; Y74-C100 HydrophobicContact CE2-CB 3.83Å; Y74-C100 HydrophobicContact CG-CB 3.71Å; Y74-L104 HydrophobicContact CD1-CD1 4.1Å; Y74-L104 HydrophobicContact CD1-CD2 4.07Å; Y74-L104 HydrophobicContact CD1-CG 4.21Å
75	G	98.6	Very high	98	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.9	-166.3	163.3	0	0	0	0	0	113.8	F63 F77 Q78 L103	F63-G75 PolarHBondContact O-N 3.49Å; G75-F77 PolarHBondContact O-N 2.93Å; G75-F77 VanDerWaalsContact O-N 3.12Å; G75-Q78 PolarHBondContact O-N 3.33Å; G75-Q78 PolarHBondContact O-NE2 2.82Å; G75-L103 WeakPolarHBondContact CA-O 3.13Å
76	I	98.8	Very high	98	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-24.4	-166.5	-164.4	167	0	0	0	113.6	Y24 L29 A53 S57 T61 I108 D111	Y24-I76 HydrophobicContact CD2-CD1 4.11Å; L29-I76 HydrophobicContact CD1-CD1 3.79Å; L29-I76 HydrophobicContact CD2-CD1 3.82Å; L29-I76 HydrophobicContact CG-CD1 4.49Å; A53-I76 HydrophobicContact CB-CG1 4.08Å; S57-I76 WeakPolarHBondContact OG-CA 3.49Å; S57-I76 PolarHBondContact OG-O 2.93Å; T61-I76 HydrophobicContact CG2-CB 4.38Å; T61-I76 HydrophobicContact CG2-CD1 4.38Å; I76-I108 HydrophobicContact CD1-CG2 4.5Å; I76-I108 HydrophobicContact CG2-CB 4.49Å; I76-I108 HydrophobicContact CG2-CG2 4.12Å; I76-D111 HydrophobicContact CG2-CB 4Å
77	F	98.6	Very high	98	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.9	11	177.9	-60.1	-59.7	0	0	0	113.7	L33 W49 A53 G75 L79 D111 I112 A115 W128	L33-F77 HydrophobicContact CD2-CZ 3.9Å; W49-F77 HydrophobicContact CE3-CE1 4.21Å; W49-F77 HydrophobicContact CE3-CZ 4.47Å; A53-F77 HydrophobicContact CB-CD1 4.21Å; A53-F77 HydrophobicContact CB-CE1 3.9Å; G75-F77 PolarHBondContact O-N 2.93Å; G75-F77 VanDerWaalsContact O-N 3.12Å; F77-L79 HydrophobicContact CB-CD2 4.47Å; F77-L79 HydrophobicContact CB-CG 4.31Å; F77-D111 HydrophobicContact CD2-CB 3.9Å; F77-D111 HydrophobicContact CE2-CB 4.15Å; F77-I112 HydrophobicContact CE2-CG1 3.9Å; F77-I112 HydrophobicContact CZ-CG1 4.35Å; F77-A115 HydrophobicContact CB-CB 4.42Å; F77-A115 HydrophobicContact CD2-CB 3.72Å; F77-A115 HydrophobicContact CE2-CB 4.16Å; F77-A115 HydrophobicContact CG-CB 4.08Å; F77-W128 HydrophobicContact CB-CZ2 4.42Å; F77-W128 PolarHBondContact O-NE1 3.3Å
78	Q	98.6	Very high	98	Very high	10 Å²	10	35.3 Å²	35.3	5%	0.047	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.3	67.5	177.5	-69.3	-61.1	-87.3	0	0	112.3	E56 F63 E73 Y74 G75	E56-Q78 HydrophobicContact CB-CB 4.09Å; E56-Q78 HydrophobicContact CB-CG 3.71Å; E56-Q78 HydrophobicContact CG-CB 4.4Å; E56-Q78 VanDerWaalsContact O-CG 3.3Å; E56-Q78 WeakPolarHBondContact O-CG 3.45Å; E56-Q78 WeakPolarHBondContact OE2-CB 3.47Å; F63-Q78 HydrophobicContact CD1-CG 4.23Å; F63-Q78 VanDerWaalsContact CD1-NE2 3.34Å; F63-Q78 PolarHBondContact O-NE2 3.37Å; F63-Q78 VanDerWaalsContact O-NE2 3.09Å; E73-Q78 HydrophobicContact CB-CB 3.86Å; E73-Q78 HydrophobicContact CB-CG 4.28Å; E73-Q78 HydrophobicContact CG-CB 4.44Å; Y74-Q78 WeakPolarHBondContact O-CA 3.43Å; Y74-Q78 PolarHBondContact O-N 3.25Å; G75-Q78 PolarHBondContact O-N 3.33Å; G75-Q78 PolarHBondContact O-NE2 2.82Å
79	L	98.6	Very high	98	Very high	1 Å²	1	35 Å²	35	1%	0.005	20%	0.202	C	C	.	.			trans	-90.7	110.8	-176.5	-64.3	166.6	0	0	0	110.8	Y74 F77 W84 L103 C114 V118 W128	Y74-L79 PolarHBondContact N-O 2.57Å; Y74-L79 PolarHBondContact O-N 3.35Å; F77-L79 HydrophobicContact CB-CD2 4.47Å; F77-L79 HydrophobicContact CB-CG 4.31Å; L79-W84 HydrophobicContact CB-CB 4.33Å; L79-L103 HydrophobicContact CB-CD1 3.92Å; L79-L103 HydrophobicContact CD1-CD1 3.75Å; L79-L103 HydrophobicContact CD1-CD2 3.98Å; L79-L103 HydrophobicContact CD1-CG 4.47Å; L79-L103 HydrophobicContact CG-CD1 4.47Å; L79-C114 HydrophobicContact CD1-CB 3.71Å; L79-V118 HydrophobicContact CD2-CG2 3.88Å; L79-W128 HydrophobicContact CD2-CZ2 4.4Å
80	N	98.3	Very high	98.1	Very high	18 Å²	18	30 Å²	30	10%	0.096	18%	0.176	C	C	.	.			trans	-63.6	132.3	-174.1	-169.6	-78.1	0	0	0	114.9	N67 S71 S72 E73 A82 W83 W84	N67-N80 PolarHBondContact ND2-ND2 3.16Å; S71-N80 PolarHBondContact OG-ND2 2.79Å; S72-N80 CarbonylContact O-C 3.54Å; S72-N80 WeakPolarHBondContact O-CA 3.38Å; E73-N80 WeakPolarHBondContact OE1-CB 2.86Å; E73-N80 PolarHBondContact OE1-ND2 3.09Å; E73-N80 WeakPolarHBondContact OE2-CA 3.24Å; E73-N80 WeakPolarHBondContact OE2-CB 3.48Å; E73-N80 PolarHBondContact OE2-N 3.18Å; N80-A82 VanDerWaalsContact C-N 3.35Å; N80-A82 PolarHBondContact O-N 2.93Å; N80-A82 WeakPolarHBondContact OD1-CA 3.27Å; N80-A82 WeakPolarHBondContact OD1-CB 3.14Å; N80-A82 PolarHBondContact OD1-N 3.06Å; N80-W83 PolarHBondContact O-N 3.33Å; N80-W84 PolarHBondContact O-N 3.04Å
81	S	98.6	Very high	98.2	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-22.4	178.7	60.7	0	0	0	0	115.3	S71 S72 W83 T90 T92	S71-S81 WeakPolarHBondContact CA-OG 3.36Å; S72-S81 PolarHBondContact N-OG 3.49Å; S72-S81 PolarHBondContact O-N 2.77Å; S72-S81 PolarHBondContact O-OG 3.2Å; S81-W83 PolarHBondContact O-N 2.86Å; S81-T90 PolarHBondContact OG-OG1 2.94Å; S81-T92 WeakPolarHBondContact O-CB 3.48Å; S81-T92 PolarHBondContact O-OG1 3.15Å
82	A	98.1	Very high	98.2	Very high	20 Å²	20	35.7 Å²	35.7	17%	0.165	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-18.1	176.7	0	0	0	0	0	112.8	N80 T90 T92	N80-A82 VanDerWaalsContact C-N 3.35Å; N80-A82 PolarHBondContact O-N 2.93Å; N80-A82 WeakPolarHBondContact OD1-CA 3.27Å; N80-A82 WeakPolarHBondContact OD1-CB 3.14Å; N80-A82 PolarHBondContact OD1-N 3.06Å; A82-T90 HydrophobicContact CB-CG2 4Å; A82-T92 PolarHBondContact O-OG1 3.06Å
83	W	97.8	Very high	98.1	Very high	139 Å²	139	41.8 Å²	41.8	53%	0.527	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-128.3	-47.2	-173.5	-56.7	101.9	0	0	0	113.8	N80 S81 N94 L95	N80-W83 PolarHBondContact O-N 3.33Å; S81-W83 PolarHBondContact O-N 2.86Å; W83-N94 PolarHBondContact O-N 3.07Å; W83-L95 WeakPolarHBondContact O-CG 3.48Å; W83-L95 PolarHBondContact O-N 3.12Å
84	W	98.5	Very high	98.1	Very high	22 Å²	22	41.4 Å²	41.4	8%	0.083	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100	-43.2	-158.5	-59.9	113.9	0	0	0	113.6	L79 N80 N94 L95 C96 V118 L121 H122	L79-W84 HydrophobicContact CB-CB 4.33Å; N80-W84 PolarHBondContact O-N 3.04Å; W84-N94 CarbonylContact O-C 3.57Å; W84-N94 PolarHBondContact O-OD1 3.06Å; W84-L95 HydrophobicContact CE3-CB 3.83Å; W84-L95 HydrophobicContact CE3-CD1 4.12Å; W84-L95 HydrophobicContact CH2-CD1 4.11Å; W84-L95 HydrophobicContact CZ3-CB 3.95Å; W84-L95 HydrophobicContact CZ3-CD1 3.74Å; W84-L95 PolarHBondContact O-N 3.31Å; W84-C96 VanDerWaalsContact O-CB 3.22Å; W84-C96 WeakPolarHBondContact O-CB 3.15Å; W84-C96 PolarHBondContact O-N 2.85Å; W84-V118 HydrophobicContact CD2-CG2 3.68Å; W84-V118 HydrophobicContact CE3-CG2 3.82Å; W84-V118 HydrophobicContact CG-CG2 4.34Å; W84-V118 HydrophobicContact CH2-CB 4.16Å; W84-V118 HydrophobicContact CH2-CG1 4.34Å; W84-V118 HydrophobicContact CH2-CG2 3.9Å; W84-V118 HydrophobicContact CZ2-CB 4.14Å; W84-V118 HydrophobicContact CZ2-CG1 3.94Å; W84-V118 HydrophobicContact CZ2-CG2 3.74Å; W84-V118 HydrophobicContact CZ3-CB 4.5Å; W84-V118 HydrophobicContact CZ3-CG2 3.92Å; W84-L121 HydrophobicContact CH2-CD1 4.13Å; W84-L121 HydrophobicContact CZ3-CD1 3.96Å; W84-H122 AromaticContact CH2-CD2 3.95Å; W84-H122 AromaticContact CH2-NE2 3.95Å; W84-H122 AromaticContact CZ2-CD2 3.81Å; W84-H122 AromaticContact CZ2-NE2 3.5Å; W84-H122 WeakPolarHBondContact CZ2-NE2 3.27Å
85	C	98.8	Very high	98	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.237	C	C	.	.			trans	-126.7	167.7	-177.7	66.1	0	0	0	0	111.2	T92 N94 V98 C100 L103	C85-T92 PolarHBondContact O-OG1 2.77Å; C85-N94 WeakPolarHBondContact CA-OD1 3.31Å; C85-V98 HydrophobicContact CB-CG2 3.72Å; C85-C100 HydrophobicContact CB-CB 3.9Å; C85-C100 WeakPolarHBondContact CB-SG 3.34Å; C85-C100 VanDerWaalsContact SG-CA 3.51Å; C85-C100 WeakPolarHBondContact SG-CB 3.41Å; C85-C100 CovalentContact SG-SG 2.03Å; C85-C100 PolarHBondContact SG-SG 2.84Å; C85-L103 HydrophobicContact CB-CD1 3.89Å
86	N	98.6	Very high	98	Very high	66 Å²	66	43.4 Å²	43.4	35%	0.353	24%	0.243	S	C	.	.	B	Isolated β-bridge	trans	-113.4	122.7	175.3	-173.7	-0.3	0	0	0	111.7	G88 T92 N94 V98 N99 C100	N86-G88 PolarHBondContact OD1-N 2.97Å; N86-T92 HydrophobicContact CB-CG2 3.98Å; N86-N94 HydrophobicContact CB-CB 4.17Å; N86-N94 WeakPolarHBondContact CB-ND2 3.37Å; N86-V98 PolarHBondContact N-O 3.39Å; N86-N99 WeakPolarHBondContact O-CA 3.38Å; N86-N99 PolarHBondContact O-OD1 3.01Å; N86-C100 PolarHBondContact N-SG 3.26Å; N86-C100 VanDerWaalsContact N-SG 3.42Å; N86-C100 PolarHBondContact O-N 3.28Å
87	N	97.9	Very high	98	Very high	26 Å²	26	49.9 Å²	49.9	14%	0.139	27%	0.273	C	S	.	.			trans	-106.2	0.1	174.4	66.5	-2.9	0	0	0	113.5	Y74 I89 T90 C100	Y74-N87 PolarHBondContact OH-ND2 3.06Å; N87-I89 PolarHBondContact O-N 3.41Å; N87-I89 PolarHBondContact OD1-N 3.49Å; N87-T90 PolarHBondContact OD1-N 3.31Å; N87-C100 HydrophobicContact CB-CB 3.97Å; N87-C100 PolarHBondContact N-SG 3.43Å
88	G	97.6	Very high	98	Very high	70 Å²	70	51.2 Å²	51.2	72%	0.722	28%	0.281	S	S	*	.	S	Bend	trans	74.5	4.6	-176.4	0	0	0	0	0	115.2	N86	N86-G88 PolarHBondContact OD1-N 2.97Å
89	I	96.4	Very high	98	Very high	137 Å²	137	54 Å²	54	70%	0.703	30%	0.297	S	S	*	.	S	Bend	trans	-114	-54.2	-177.3	-58.2	171.5	0	0	0	110.1	N87	N87-I89 PolarHBondContact O-N 3.41Å; N87-I89 PolarHBondContact OD1-N 3.49Å
90	T	96.8	Very high	98	Very high	17 Å²	17	54 Å²	54	10%	0.104	30%	0.297	C	S	.	.	S	Bend	trans	-87.4	127.7	-177.7	-40.3	0	0	0	0	109.8	G70 S81 A82 N87 T92	G70-T90 PolarHBondContact O-OG1 3.5Å; S81-T90 PolarHBondContact OG-OG1 2.94Å; A82-T90 HydrophobicContact CB-CG2 4Å; N87-T90 PolarHBondContact OD1-N 3.31Å; T90-T92 PolarHBondContact O-N 3.09Å
91	P	97.4	Very high	97.9	Very high	121 Å²	121	57.5 Å²	57.5	79%	0.786	32%	0.315	S	S	*	.			trans	-57.7	132.6	170.3	-23.5	34.2	0	0	0	110.9
92	T	98	Very high	97.9	Very high	43 Å²	43	61.3 Å²	61.3	26%	0.264	34%	0.336	S	S	.	.			trans	-152.4	151.6	-169.4	-174.2	0	0	0	0	112.8	S81 A82 C85 N86 T90 N94	S81-T92 WeakPolarHBondContact O-CB 3.48Å; S81-T92 PolarHBondContact O-OG1 3.15Å; A82-T92 PolarHBondContact O-OG1 3.06Å; C85-T92 PolarHBondContact O-OG1 2.77Å; N86-T92 HydrophobicContact CB-CG2 3.98Å; T90-T92 PolarHBondContact O-N 3.09Å; T92-N94 VanDerWaalsContact C-N 3.3Å; T92-N94 HydrophobicContact CG2-CB 4.11Å; T92-N94 PolarHBondContact OG1-N 3.49Å
93	Q	96.4	Very high	97.9	Very high	136 Å²	136	60.4 Å²	60.4	64%	0.636	33%	0.328	S	S	*	.			trans	-79.6	-16.2	167	-66.1	-174.5	41.7	0	0	112.3	L95	Q93-L95 HydrophobicContact CB-CD2 4.1Å; Q93-L95 HydrophobicContact CB-CG 4.19Å; Q93-L95 PolarHBondContact O-N 3.17Å
94	N	98.3	Very high	97.9	Very high	27 Å²	27	54.9 Å²	54.9	14%	0.144	31%	0.309	C	S	.	.			trans	46.1	60.2	-176	-171.2	7	0	0	0	111.9	W83 W84 C85 N86 T92 C96 H97 V98	W83-N94 PolarHBondContact O-N 3.07Å; W84-N94 CarbonylContact O-C 3.57Å; W84-N94 PolarHBondContact O-OD1 3.06Å; C85-N94 WeakPolarHBondContact CA-OD1 3.31Å; N86-N94 HydrophobicContact CB-CB 4.17Å; N86-N94 WeakPolarHBondContact CB-ND2 3.37Å; T92-N94 VanDerWaalsContact C-N 3.3Å; T92-N94 HydrophobicContact CG2-CB 4.11Å; T92-N94 PolarHBondContact OG1-N 3.49Å; N94-C96 PolarHBondContact O-N 2.64Å; N94-C96 VanDerWaalsContact O-N 3.11Å; N94-H97 PolarHBondContact O-N 2.84Å; N94-H97 PolarHBondContact O-ND1 3.12Å; N94-H97 WeakPolarHBondContact OD1-CA 3.18Å; N94-H97 PolarHBondContact OD1-N 3.35Å; N94-H97 VanDerWaalsContact OD1-N 3.08Å; N94-V98 PolarHBondContact ND2-N 3.03Å; N94-V98 PolarHBondContact ND2-O 2.93Å; N94-V98 VanDerWaalsContact ND2-O 3.16Å; N94-V98 PolarHBondContact OD1-N 3.43Å; N94-V98 VanDerWaalsContact OD1-N 3.08Å; N94-V98 PolarHBondContact OD1-O 3.39Å
95	L	98.4	Very high	97.8	Very high	38 Å²	38	55.5 Å²	55.5	20%	0.199	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-21.9	-172.7	-67.7	174.2	0	0	0	113.3	W83 W84 Q93 R117 L121	W83-L95 WeakPolarHBondContact O-CG 3.48Å; W83-L95 PolarHBondContact O-N 3.12Å; W84-L95 HydrophobicContact CE3-CB 3.83Å; W84-L95 HydrophobicContact CE3-CD1 4.12Å; W84-L95 HydrophobicContact CH2-CD1 4.11Å; W84-L95 HydrophobicContact CZ3-CB 3.95Å; W84-L95 HydrophobicContact CZ3-CD1 3.74Å; W84-L95 PolarHBondContact O-N 3.31Å; Q93-L95 HydrophobicContact CB-CD2 4.1Å; Q93-L95 HydrophobicContact CB-CG 4.19Å; Q93-L95 PolarHBondContact O-N 3.17Å; L95-R117 VanDerWaalsContact O-CD 3.3Å; L95-R117 WeakPolarHBondContact O-CD 3.37Å; L95-R117 PolarHBondContact O-NE 3.35Å; L95-R117 PolarHBondContact O-NH1 3.22Å; L95-R117 PolarHBondContact O-NH2 3.39Å; L95-L121 HydrophobicContact CD1-CD1 4.18Å
96	C	98.4	Very high	97.7	Very high	20 Å²	20	59.5 Å²	59.5	14%	0.135	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-8.8	175.1	-62.8	0	0	0	0	113.6	W84 N94 V98 C114	W84-C96 VanDerWaalsContact O-CB 3.22Å; W84-C96 WeakPolarHBondContact O-CB 3.15Å; W84-C96 PolarHBondContact O-N 2.85Å; N94-C96 PolarHBondContact O-N 2.64Å; N94-C96 VanDerWaalsContact O-N 3.11Å; C96-V98 VanDerWaalsContact C-N 3.32Å; C96-V98 HydrophobicContact CB-CG2 3.96Å; C96-V98 PolarHBondContact O-N 3.21Å; C96-C114 HydrophobicContact CB-CB 3.68Å; C96-C114 WeakPolarHBondContact CB-SG 3.28Å; C96-C114 WeakPolarHBondContact SG-CA 3.39Å; C96-C114 WeakPolarHBondContact SG-CB 3.49Å; C96-C114 CovalentContact SG-SG 2.03Å; C96-C114 PolarHBondContact SG-SG 3.02Å
97	H	98.1	Very high	97.6	Very high	137 Å²	137	62.3 Å²	62.3	63%	0.634	34%	0.339	S	S	*	.			trans	57.2	40.9	-178.2	-52.1	-62.9	0	0	0	113.4	N94	N94-H97 PolarHBondContact O-N 2.84Å; N94-H97 PolarHBondContact O-ND1 3.12Å; N94-H97 WeakPolarHBondContact OD1-CA 3.18Å; N94-H97 PolarHBondContact OD1-N 3.35Å; N94-H97 VanDerWaalsContact OD1-N 3.08Å
98	V	98.1	Very high	97.6	Very high	27 Å²	27	61.3 Å²	61.3	16%	0.164	33%	0.334	C	S	.	.			trans	-124.1	156.6	-179.1	-62.2	0	0	0	0	111.3	C85 N86 N94 C96 L103	C85-V98 HydrophobicContact CB-CG2 3.72Å; N86-V98 PolarHBondContact N-O 3.39Å; N94-V98 PolarHBondContact ND2-N 3.03Å; N94-V98 PolarHBondContact ND2-O 2.93Å; N94-V98 VanDerWaalsContact ND2-O 3.16Å; N94-V98 PolarHBondContact OD1-N 3.43Å; N94-V98 VanDerWaalsContact OD1-N 3.08Å; N94-V98 PolarHBondContact OD1-O 3.39Å; C96-V98 VanDerWaalsContact C-N 3.32Å; C96-V98 HydrophobicContact CB-CG2 3.96Å; C96-V98 PolarHBondContact O-N 3.21Å; V98-L103 HydrophobicContact CG2-CD1 4.43Å; V98-L103 HydrophobicContact CG2-CD2 4.29Å; V98-L103 HydrophobicContact CG2-CG 4.42Å
99	N	98.3	Very high	97.6	Very high	70 Å²	70	63.3 Å²	63.3	37%	0.374	33%	0.328	S	S	.	.	B	Isolated β-bridge	trans	-78.3	137.8	164.3	-168.2	-55.9	0	0	0	108.4	N86 N101 D102	N86-N99 WeakPolarHBondContact O-CA 3.38Å; N86-N99 PolarHBondContact O-OD1 3.01Å; N99-N101 PolarHBondContact O-N 3.5Å; N99-N101 WeakPolarHBondContact OD1-CB 3.48Å; N99-N101 PolarHBondContact OD1-N 2.89Å; N99-D102 VanDerWaalsContact CB-OD2 3.31Å; N99-D102 WeakPolarHBondContact CB-OD2 3.48Å; N99-D102 PolarHBondContact N-OD2 3.42Å; N99-D102 WeakPolarHBondContact O-CB 3.5Å; N99-D102 PolarHBondContact O-N 2.91Å
100	C	98.5	Very high	97.7	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-28.7	178.6	-61.5	0	0	0	0	112.7	Y74 C85 N86 N87 D102 L103	Y74-C100 HydrophobicContact CD1-CB 3.6Å; Y74-C100 HydrophobicContact CD2-CB 3.79Å; Y74-C100 HydrophobicContact CE1-CB 3.63Å; Y74-C100 HydrophobicContact CE2-CB 3.83Å; Y74-C100 HydrophobicContact CG-CB 3.71Å; C85-C100 HydrophobicContact CB-CB 3.9Å; C85-C100 WeakPolarHBondContact CB-SG 3.34Å; C85-C100 VanDerWaalsContact SG-CA 3.51Å; C85-C100 WeakPolarHBondContact SG-CB 3.41Å; C85-C100 CovalentContact SG-SG 2.03Å; C85-C100 PolarHBondContact SG-SG 2.84Å; N86-C100 PolarHBondContact N-SG 3.26Å; N86-C100 VanDerWaalsContact N-SG 3.42Å; N86-C100 PolarHBondContact O-N 3.28Å; N87-C100 HydrophobicContact CB-CB 3.97Å; N87-C100 PolarHBondContact N-SG 3.43Å; C100-D102 VanDerWaalsContact C-N 3.25Å; C100-D102 PolarHBondContact O-N 2.92Å; C100-L103 WeakPolarHBondContact O-CB 3.41Å; C100-L103 PolarHBondContact O-N 3.46Å
101	N	97.4	Very high	97.8	Very high	92 Å²	92	57.9 Å²	57.9	49%	0.492	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-23.7	175.6	-69.7	-24	0	0	0	113.2	N99 L103 L104	N99-N101 PolarHBondContact O-N 3.5Å; N99-N101 WeakPolarHBondContact OD1-CB 3.48Å; N99-N101 PolarHBondContact OD1-N 2.89Å; N101-L103 PolarHBondContact O-N 2.91Å; N101-L104 PolarHBondContact O-N 3.33Å
102	D	97.5	Very high	97.9	Very high	80 Å²	80	52.3 Å²	52.3	43%	0.428	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-65.9	-30.3	175.8	-59.8	-27.6	0	0	0	109.7	N99 C100 L104 N105	N99-D102 VanDerWaalsContact CB-OD2 3.31Å; N99-D102 WeakPolarHBondContact CB-OD2 3.48Å; N99-D102 PolarHBondContact N-OD2 3.42Å; N99-D102 WeakPolarHBondContact O-CB 3.5Å; N99-D102 PolarHBondContact O-N 2.91Å; C100-D102 VanDerWaalsContact C-N 3.25Å; C100-D102 PolarHBondContact O-N 2.92Å; D102-L104 PolarHBondContact O-N 2.83Å; D102-L104 VanDerWaalsContact O-N 3.12Å; D102-N105 PolarHBondContact O-ND2 2.98Å
103	L	98.4	Very high	97.9	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-72.4	-4.4	177.8	-54.1	173.7	0	0	0	114.3	G75 L79 C85 V98 C100 N101 D110 D111	G75-L103 WeakPolarHBondContact CA-O 3.13Å; L79-L103 HydrophobicContact CB-CD1 3.92Å; L79-L103 HydrophobicContact CD1-CD1 3.75Å; L79-L103 HydrophobicContact CD1-CD2 3.98Å; L79-L103 HydrophobicContact CD1-CG 4.47Å; L79-L103 HydrophobicContact CG-CD1 4.47Å; C85-L103 HydrophobicContact CB-CD1 3.89Å; V98-L103 HydrophobicContact CG2-CD1 4.43Å; V98-L103 HydrophobicContact CG2-CD2 4.29Å; V98-L103 HydrophobicContact CG2-CG 4.42Å; C100-L103 WeakPolarHBondContact O-CB 3.41Å; C100-L103 PolarHBondContact O-N 3.46Å; N101-L103 PolarHBondContact O-N 2.91Å; L103-D110 HydrophobicContact CD2-CB 4.49Å; L103-D111 HydrophobicContact CD2-CB 4.47Å
104	L	98.3	Very high	98	Very high	23 Å²	23	49.3 Å²	49.3	12%	0.12	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-97.1	6.8	-174.4	-59	-176.9	0	0	0	114.1	V19 T61 V64 Y74 N101 D102	V19-L104 HydrophobicContact CG1-CB 4.08Å; V19-L104 WeakPolarHBondContact CG1-O 3.33Å; T61-L104 CarbonylContact O-C 3.53Å; T61-L104 VanDerWaalsContact O-CA 3.27Å; T61-L104 WeakPolarHBondContact O-CA 3.44Å; V64-L104 HydrophobicContact CG2-CD1 3.79Å; V64-L104 HydrophobicContact CG2-CD2 3.63Å; V64-L104 HydrophobicContact CG2-CG 4.38Å; Y74-L104 HydrophobicContact CD1-CD1 4.1Å; Y74-L104 HydrophobicContact CD1-CD2 4.07Å; Y74-L104 HydrophobicContact CD1-CG 4.21Å; N101-L104 PolarHBondContact O-N 3.33Å; D102-L104 PolarHBondContact O-N 2.83Å; D102-L104 VanDerWaalsContact O-N 3.12Å
105	N	96.1	Very high	98	Very high	36 Å²	36	48 Å²	48	19%	0.193	24%	0.241	C	C	.	.	S	Bend	trans	-104.9	163.6	-174.9	90.6	78.5	0	0	0	111.8	V19 T61 D102 H107	V19-N105 HydrophobicContact CG1-CB 4.24Å; T61-N105 WeakPolarHBondContact CB-O 3.43Å; T61-N105 PolarHBondContact OG1-O 3.2Å; D102-N105 PolarHBondContact O-ND2 2.98Å; N105-H107 PolarHBondContact O-N 3Å; N105-H107 WeakPolarHBondContact OD1-CA 3.39Å; N105-H107 WeakPolarHBondContact OD1-CB 3.2Å; N105-H107 PolarHBondContact OD1-CD2 3.04Å; N105-H107 PolarHBondContact OD1-N 3.44Å
106	R	96.6	Very high	98	Very high	83 Å²	83	47.8 Å²	47.8	31%	0.313	24%	0.238	S	C	.	.	S	Bend	trans	-64.7	-21.4	-178	70.3	-166.9	-59.6	179.2	10.5	114.3	D20 K22 Y24 I108	D20-R106 VanDerWaalsContact CG-CD 3.45Å; D20-R106 VanDerWaalsContact O-CB 3.27Å; D20-R106 WeakPolarHBondContact O-CB 3.44Å; D20-R106 WeakPolarHBondContact O-CG 3.06Å; D20-R106 PolarHBondContact O-N 3.31Å; D20-R106 IonicContact OD1-NH1 3.66Å; D20-R106 WeakPolarHBondContact OD2-CD 3.44Å; D20-R106 IonicContact OD2-CZ 3.62Å; D20-R106 IonicContact OD2-NE 3.9Å; D20-R106 IonicContact OD2-NH1 2.73Å; D20-R106 PolarHBondContact OD2-NH1 2.98Å; K22-R106 HydrophobicContact CB-CB 3.74Å; Y24-R106 PolarHBondContact OH-O 3.02Å; R106-I108 PolarHBondContact O-N 3.13Å
107	H	96.2	Very high	98	Very high	125 Å²	125	51.7 Å²	51.7	58%	0.579	25%	0.25	S	S	*	.			trans	-85.2	79.5	-178.1	-59.3	-76.8	0	0	0	111.2	N105 L109	N105-H107 PolarHBondContact O-N 3Å; N105-H107 WeakPolarHBondContact OD1-CA 3.39Å; N105-H107 WeakPolarHBondContact OD1-CB 3.2Å; N105-H107 PolarHBondContact OD1-CD2 3.04Å; N105-H107 PolarHBondContact OD1-N 3.44Å; H107-L109 PolarHBondContact O-N 2.64Å
108	I	98.1	Very high	98	Very high	6 Å²	6	45.3 Å²	45.3	3%	0.031	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	21.1	-172.5	61.7	169.9	0	0	0	116.9	Y24 L29 R32 L33 T61 I76 R106 D111 I112	Y24-I108 HydrophobicContact CE2-CD1 4.35Å; Y24-I108 HydrophobicContact CE2-CG2 3.9Å; L29-I108 HydrophobicContact CD1-CD1 3.42Å; L29-I108 VanDerWaalsContact CD1-CD1 3.42Å; R32-I108 HydrophobicContact CB-CD1 4.44Å; L33-I108 HydrophobicContact CD2-CD1 4.31Å; T61-I108 HydrophobicContact CG2-CG2 3.51Å; I76-I108 HydrophobicContact CD1-CG2 4.5Å; I76-I108 HydrophobicContact CG2-CB 4.49Å; I76-I108 HydrophobicContact CG2-CG2 4.12Å; R106-I108 PolarHBondContact O-N 3.13Å; I108-D111 VanDerWaalsContact CA-OD2 3.31Å; I108-D111 WeakPolarHBondContact CA-OD2 3.44Å; I108-D111 HydrophobicContact CB-CB 4.21Å; I108-I112 HydrophobicContact CD1-CD1 4Å; I108-I112 HydrophobicContact CG1-CD1 3.97Å; I108-I112 WeakPolarHBondContact O-CB 3.33Å; I108-I112 WeakPolarHBondContact O-CD1 3.23Å; I108-I112 WeakPolarHBondContact O-CG1 3.13Å; I108-I112 PolarHBondContact O-N 2.94Å
109	L	98.1	Very high	97.9	Very high	112 Å²	112	44 Å²	44	59%	0.586	21%	0.213	S	C	*	.	H	α-helix	trans	-73.3	-41	-175.6	-178.9	60.5	0	0	0	111.4	H107 I112 M113	H107-L109 PolarHBondContact O-N 2.64Å; L109-I112 PolarHBondContact O-N 3.09Å; L109-M113 HydrophobicContact CD1-CG 4.37Å; L109-M113 WeakPolarHBondContact O-CB 3.31Å; L109-M113 WeakPolarHBondContact O-CG 3.4Å; L109-M113 PolarHBondContact O-N 2.98Å
110	D	98.2	Very high	97.9	Very high	39 Å²	39	43.6 Å²	43.6	21%	0.209	21%	0.213	C	C	.	.	H	α-helix	trans	-61.5	-43.1	170.7	50.2	-19.1	0	0	0	111.9	L103 I112 M113 C114	L103-D110 HydrophobicContact CD2-CB 4.49Å; D110-I112 PolarHBondContact O-N 2.84Å; D110-M113 PolarHBondContact O-N 3.05Å; D110-C114 WeakPolarHBondContact O-CB 3.37Å; D110-C114 PolarHBondContact O-N 3.25Å
111	D	98.7	Very high	97.7	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-55	-51.6	171	-59.2	-109.9	0	0	0	111.6	I76 F77 L103 I108 M113 C114 A115	I76-D111 HydrophobicContact CG2-CB 4Å; F77-D111 HydrophobicContact CD2-CB 3.9Å; F77-D111 HydrophobicContact CE2-CB 4.15Å; L103-D111 HydrophobicContact CD2-CB 4.47Å; I108-D111 VanDerWaalsContact CA-OD2 3.31Å; I108-D111 WeakPolarHBondContact CA-OD2 3.44Å; I108-D111 HydrophobicContact CB-CB 4.21Å; D111-M113 VanDerWaalsContact C-N 3.35Å; D111-M113 PolarHBondContact O-N 2.69Å; D111-C114 PolarHBondContact O-N 2.84Å; D111-A115 WeakPolarHBondContact O-CB 3.37Å; D111-A115 PolarHBondContact O-N 3.46Å
112	I	98.8	Very high	97.4	Very high	4 Å²	4	48.8 Å²	48.8	2%	0.021	24%	0.236	C	C	.	.	H	α-helix	trans	-61.7	-43.6	-178.9	-70.8	164.4	0	0	0	111	L33 A36 L38 F77 I108 L109 D110 C114 A115 K116	L33-I112 HydrophobicContact CD2-CD1 3.8Å; L33-I112 HydrophobicContact CD2-CG1 3.92Å; A36-I112 HydrophobicContact CB-CD1 3.69Å; A36-I112 HydrophobicContact CB-CG2 3.95Å; L38-I112 HydrophobicContact CD1-CG1 4.16Å; L38-I112 HydrophobicContact CD1-CG2 3.79Å; L38-I112 HydrophobicContact CD2-CG2 4.09Å; L38-I112 HydrophobicContact CG-CG2 3.92Å; F77-I112 HydrophobicContact CE2-CG1 3.9Å; F77-I112 HydrophobicContact CZ-CG1 4.35Å; I108-I112 HydrophobicContact CD1-CD1 4Å; I108-I112 HydrophobicContact CG1-CD1 3.97Å; I108-I112 WeakPolarHBondContact O-CB 3.33Å; I108-I112 WeakPolarHBondContact O-CD1 3.23Å; I108-I112 WeakPolarHBondContact O-CG1 3.13Å; I108-I112 PolarHBondContact O-N 2.94Å; L109-I112 PolarHBondContact O-N 3.09Å; D110-I112 PolarHBondContact O-N 2.84Å; I112-C114 VanDerWaalsContact C-N 3.32Å; I112-C114 PolarHBondContact O-N 2.89Å; I112-A115 PolarHBondContact O-N 3.33Å; I112-K116 HydrophobicContact CG2-CD 4.47Å; I112-K116 WeakPolarHBondContact O-CB 3.47Å; I112-K116 WeakPolarHBondContact O-CG 3.39Å; I112-K116 PolarHBondContact O-N 3.36Å
113	M	98.6	Very high	97	Very high	113 Å²	113	54 Å²	54	56%	0.557	26%	0.255	S	S	*	.	H	α-helix	trans	-66.2	-37.8	179.8	-71.7	-59.7	-67.1	0	0	111.5	L109 D110 D111 K116 R117	L109-M113 HydrophobicContact CD1-CG 4.37Å; L109-M113 WeakPolarHBondContact O-CB 3.31Å; L109-M113 WeakPolarHBondContact O-CG 3.4Å; L109-M113 PolarHBondContact O-N 2.98Å; D110-M113 PolarHBondContact O-N 3.05Å; D111-M113 VanDerWaalsContact C-N 3.35Å; D111-M113 PolarHBondContact O-N 2.69Å; M113-K116 HydrophobicContact SD-CD 4.4Å; M113-R117 PolarHBondContact O-N 3.11Å
114	C	98.6	Very high	96.7	Very high	3 Å²	3	55.1 Å²	55.1	2%	0.02	26%	0.263	C	S	.	.	H	α-helix	trans	-68	-46.3	174.7	-171.2	0	0	0	0	111.5	L79 C96 D110 D111 I112 K116 R117 V118	L79-C114 HydrophobicContact CD1-CB 3.71Å; C96-C114 HydrophobicContact CB-CB 3.68Å; C96-C114 WeakPolarHBondContact CB-SG 3.28Å; C96-C114 WeakPolarHBondContact SG-CA 3.39Å; C96-C114 WeakPolarHBondContact SG-CB 3.49Å; C96-C114 CovalentContact SG-SG 2.03Å; C96-C114 PolarHBondContact SG-SG 3.02Å; D110-C114 WeakPolarHBondContact O-CB 3.37Å; D110-C114 PolarHBondContact O-N 3.25Å; D111-C114 PolarHBondContact O-N 2.84Å; I112-C114 VanDerWaalsContact C-N 3.32Å; I112-C114 PolarHBondContact O-N 2.89Å; C114-K116 VanDerWaalsContact C-N 3.32Å; C114-K116 PolarHBondContact O-N 3.19Å; C114-R117 CarbonylContact O-C 3.55Å; C114-R117 WeakPolarHBondContact O-CA 3.18Å; C114-R117 VanDerWaalsContact O-CB 3.24Å; C114-R117 WeakPolarHBondContact O-CB 3.1Å; C114-R117 PolarHBondContact O-N 2.93Å; C114-V118 WeakPolarHBondContact O-CG2 3.42Å; C114-V118 PolarHBondContact O-N 3.24Å
115	A	98.5	Very high	96.5	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-61.1	-37.1	177	0	0	0	0	0	112.8	W49 F77 D111 I112 R117 V118 V119 W128	W49-A115 HydrophobicContact CH2-CB 4.49Å; W49-A115 HydrophobicContact CZ3-CB 3.85Å; F77-A115 HydrophobicContact CB-CB 4.42Å; F77-A115 HydrophobicContact CD2-CB 3.72Å; F77-A115 HydrophobicContact CE2-CB 4.16Å; F77-A115 HydrophobicContact CG-CB 4.08Å; D111-A115 WeakPolarHBondContact O-CB 3.37Å; D111-A115 PolarHBondContact O-N 3.46Å; I112-A115 PolarHBondContact O-N 3.33Å; A115-R117 VanDerWaalsContact C-N 3.26Å; A115-R117 PolarHBondContact O-N 3.2Å; A115-V118 WeakPolarHBondContact O-CB 3.48Å; A115-V118 PolarHBondContact O-N 3.38Å; A115-V119 PolarHBondContact O-N 2.87Å; A115-W128 HydrophobicContact CB-CH2 4.05Å; A115-W128 HydrophobicContact CB-CZ2 4.13Å
116	K	98.4	Very high	96.5	Very high	34 Å²	34	56.4 Å²	56.4	15%	0.148	27%	0.27	C	S	.	.	H	α-helix	trans	-58	-39	169.4	-80.3	-176.3	166.2	179.6	0	112.2	A36 G37 L38 F41 I112 M113 C114 T120	A36-K116 PolarHBondContact O-NZ 3.42Å; G37-K116 WeakPolarHBondContact O-CE 3.28Å; G37-K116 PolarHBondContact O-NZ 2.74Å; L38-K116 HydrophobicContact CD2-CD 4.11Å; L38-K116 HydrophobicContact CD2-CG 3.67Å; F41-K116 HydrophobicContact CD1-CG 4.02Å; F41-K116 HydrophobicContact CD2-CD 4.11Å; F41-K116 HydrophobicContact CD2-CG 4.27Å; F41-K116 HydrophobicContact CE1-CB 3.83Å; F41-K116 HydrophobicContact CE1-CG 3.71Å; F41-K116 HydrophobicContact CE2-CB 4.29Å; F41-K116 HydrophobicContact CE2-CD 3.9Å; F41-K116 HydrophobicContact CE2-CG 3.99Å; F41-K116 HydrophobicContact CG-CG 4.28Å; F41-K116 HydrophobicContact CZ-CB 3.64Å; F41-K116 HydrophobicContact CZ-CD 4.11Å; F41-K116 HydrophobicContact CZ-CG 3.68Å; I112-K116 HydrophobicContact CG2-CD 4.47Å; I112-K116 WeakPolarHBondContact O-CB 3.47Å; I112-K116 WeakPolarHBondContact O-CG 3.39Å; I112-K116 PolarHBondContact O-N 3.36Å; M113-K116 HydrophobicContact SD-CD 4.4Å; C114-K116 VanDerWaalsContact C-N 3.32Å; C114-K116 PolarHBondContact O-N 3.19Å; K116-T120 WeakPolarHBondContact O-CB 2.97Å; K116-T120 PolarHBondContact O-N 3.32Å; K116-T120 PolarHBondContact O-OG1 2.89Å
117	R	98.3	Very high	96.3	Very high	102 Å²	102	54.3 Å²	54.3	39%	0.385	27%	0.271	S	S	.	.	H	α-helix	trans	-69.6	-41.1	177.4	-169.6	163.2	-176.2	153.7	-9.1	111.6	L95 M113 C114 A115 T120 L121	L95-R117 VanDerWaalsContact O-CD 3.3Å; L95-R117 WeakPolarHBondContact O-CD 3.37Å; L95-R117 PolarHBondContact O-NE 3.35Å; L95-R117 PolarHBondContact O-NH1 3.22Å; L95-R117 PolarHBondContact O-NH2 3.39Å; M113-R117 PolarHBondContact O-N 3.11Å; C114-R117 CarbonylContact O-C 3.55Å; C114-R117 WeakPolarHBondContact O-CA 3.18Å; C114-R117 VanDerWaalsContact O-CB 3.24Å; C114-R117 WeakPolarHBondContact O-CB 3.1Å; C114-R117 PolarHBondContact O-N 2.93Å; A115-R117 VanDerWaalsContact C-N 3.26Å; A115-R117 PolarHBondContact O-N 3.2Å; R117-T120 PolarHBondContact O-N 2.99Å; R117-L121 HydrophobicContact CG-CD1 4.08Å; R117-L121 HydrophobicContact CG-CG 4.36Å; R117-L121 WeakPolarHBondContact O-CG 3.34Å; R117-L121 PolarHBondContact O-N 2.95Å
118	V	98.1	Very high	96.3	Very high	2 Å²	2	49 Å²	49	1%	0.012	25%	0.246	C	C	.	.	H	α-helix	trans	-52.8	-58	172.2	179	0	0	0	0	110.4	L79 W84 C114 A115 T120 L121 H122 A127 W128	L79-V118 HydrophobicContact CD2-CG2 3.88Å; W84-V118 HydrophobicContact CD2-CG2 3.68Å; W84-V118 HydrophobicContact CE3-CG2 3.82Å; W84-V118 HydrophobicContact CG-CG2 4.34Å; W84-V118 HydrophobicContact CH2-CB 4.16Å; W84-V118 HydrophobicContact CH2-CG1 4.34Å; W84-V118 HydrophobicContact CH2-CG2 3.9Å; W84-V118 HydrophobicContact CZ2-CB 4.14Å; W84-V118 HydrophobicContact CZ2-CG1 3.94Å; W84-V118 HydrophobicContact CZ2-CG2 3.74Å; W84-V118 HydrophobicContact CZ3-CB 4.5Å; W84-V118 HydrophobicContact CZ3-CG2 3.92Å; C114-V118 WeakPolarHBondContact O-CG2 3.42Å; C114-V118 PolarHBondContact O-N 3.24Å; A115-V118 WeakPolarHBondContact O-CB 3.48Å; A115-V118 PolarHBondContact O-N 3.38Å; V118-T120 PolarHBondContact O-N 3.2Å; V118-L121 PolarHBondContact O-N 2.98Å; V118-H122 WeakPolarHBondContact O-CB 3.47Å; V118-H122 PolarHBondContact O-CD2 3.04Å; V118-H122 PolarHBondContact O-N 3.09Å; V118-A127 HydrophobicContact CG1-CB 3.43Å; V118-A127 VanDerWaalsContact CG1-CB 3.43Å; V118-W128 HydrophobicContact CB-CH2 3.66Å; V118-W128 HydrophobicContact CB-CZ2 4.12Å; V118-W128 HydrophobicContact CB-CZ3 4.35Å; V118-W128 HydrophobicContact CG1-CH2 3.57Å; V118-W128 HydrophobicContact CG1-CZ2 3.96Å; V118-W128 HydrophobicContact CG1-CZ3 3.89Å; V118-W128 HydrophobicContact CG2-CH2 4.27Å; V118-W128 HydrophobicContact CG2-CZ2 4.26Å
119	V	97.1	Very high	96.2	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.006	27%	0.269	C	S	.	.	H	α-helix	trans	-61	-34.8	-179.7	175.2	0	0	0	0	112	F41 K42 Y44 W49 A115 K123 S124 M125 W128	F41-V119 HydrophobicContact CE1-CB 4.36Å; F41-V119 HydrophobicContact CE1-CG1 4.4Å; K42-V119 HydrophobicContact CB-CG1 3.95Å; K42-V119 HydrophobicContact CG-CG1 4.07Å; Y44-V119 HydrophobicContact CD2-CG1 4.09Å; Y44-V119 HydrophobicContact CE2-CG1 3.77Å; W49-V119 HydrophobicContact CH2-CB 4.33Å; W49-V119 HydrophobicContact CH2-CG2 3.48Å; W49-V119 VanDerWaalsContact CH2-CG2 3.48Å; W49-V119 HydrophobicContact CZ2-CG2 4.15Å; W49-V119 HydrophobicContact CZ3-CG2 4.26Å; A115-V119 PolarHBondContact O-N 2.87Å; V119-K123 CarbonylContact O-C 3.57Å; V119-K123 WeakPolarHBondContact O-CA 3.24Å; V119-K123 PolarHBondContact O-N 3.42Å; V119-S124 PolarHBondContact O-N 2.93Å; V119-M125 HydrophobicContact CG2-CG 3.84Å; V119-W128 HydrophobicContact CG2-CH2 4.02Å; V119-W128 HydrophobicContact CG2-CZ3 3.55Å
120	T	96.9	Very high	96	Very high	60 Å²	60	48.5 Å²	48.5	37%	0.368	24%	0.244	S	C	.	.	H	α-helix	trans	-67.6	-43.3	178.6	-62.5	0	0	0	0	112.1	K116 R117 V118	K116-T120 WeakPolarHBondContact O-CB 2.97Å; K116-T120 PolarHBondContact O-N 3.32Å; K116-T120 PolarHBondContact O-OG1 2.89Å; R117-T120 PolarHBondContact O-N 2.99Å; V118-T120 PolarHBondContact O-N 3.2Å
121	L	95.2	Very high	95.9	Very high	95 Å²	95	47.3 Å²	47.3	50%	0.497	24%	0.237	S	C	.	.	H	α-helix	trans	-76.8	-40.4	-178.5	-67.8	179.8	0	0	0	112.1	W84 L95 R117 V118 K123	W84-L121 HydrophobicContact CH2-CD1 4.13Å; W84-L121 HydrophobicContact CZ3-CD1 3.96Å; L95-L121 HydrophobicContact CD1-CD1 4.18Å; R117-L121 HydrophobicContact CG-CD1 4.08Å; R117-L121 HydrophobicContact CG-CG 4.36Å; R117-L121 WeakPolarHBondContact O-CG 3.34Å; R117-L121 PolarHBondContact O-N 2.95Å; V118-L121 PolarHBondContact O-N 2.98Å; L121-K123 VanDerWaalsContact C-N 3.29Å
122	H	90.8	Very high	95.8	Very high	106 Å²	106	50.3 Å²	50.3	49%	0.491	26%	0.257	S	S	.	.	H	α-helix	trans	-79.5	-11.8	176.3	-75.4	-95.6	0	0	0	113.5	W84 V118 S124 A127	W84-H122 AromaticContact CH2-CD2 3.95Å; W84-H122 AromaticContact CH2-NE2 3.95Å; W84-H122 AromaticContact CZ2-CD2 3.81Å; W84-H122 AromaticContact CZ2-NE2 3.5Å; W84-H122 WeakPolarHBondContact CZ2-NE2 3.27Å; V118-H122 WeakPolarHBondContact O-CB 3.47Å; V118-H122 PolarHBondContact O-CD2 3.04Å; V118-H122 PolarHBondContact O-N 3.09Å; H122-S124 PolarHBondContact O-N 2.96Å; H122-S124 VanDerWaalsContact O-N 3.11Å; H122-A127 HydrophobicContact CB-CB 4.04Å
123	K	88.1	Confident	95.7	Very high	190 Å²	190	57.7 Å²	57.7	83%	0.826	29%	0.285	S	S	*	.	S	Bend	trans	55.4	19.7	-173.3	-56.5	179.3	-179.8	176.5	0	113.8	V119 L121	V119-K123 CarbonylContact O-C 3.57Å; V119-K123 WeakPolarHBondContact O-CA 3.24Å; V119-K123 PolarHBondContact O-N 3.42Å; L121-K123 VanDerWaalsContact C-N 3.29Å
124	S	92.5	Very high	95.6	Very high	23 Å²	23	56.1 Å²	56.1	16%	0.161	28%	0.276	C	S	.	.	S	Bend	trans	-167.4	155.6	-176.7	-178.6	0	0	0	0	111.2	Y44 V119 H122 N126	Y44-S124 WeakPolarHBondContact OH-CA 3.15Å; V119-S124 PolarHBondContact O-N 2.93Å; H122-S124 PolarHBondContact O-N 2.96Å; H122-S124 VanDerWaalsContact O-N 3.11Å; S124-N126 PolarHBondContact O-N 3.42Å; S124-N126 WeakPolarHBondContact OG-CB 3.34Å; S124-N126 VanDerWaalsContact OG-CG 3.27Å; S124-N126 PolarHBondContact OG-N 2.03Å; S124-N126 PolarHBondContact OG-ND2 2.91Å
125	M	95.3	Very high	95.5	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-74	-4.9	164.8	-77.6	-176.7	137.8	0	0	113.8	Y44 D48 W49 V52 V119 A127 W128 W131	Y44-M125 HydrophobicContact CD1-CG 4.05Å; Y44-M125 HydrophobicContact CD1-SD 3.44Å; Y44-M125 WeakPolarHBondContact CD1-SD 3.45Å; Y44-M125 HydrophobicContact CD2-CG 3.99Å; Y44-M125 HydrophobicContact CD2-SD 4.11Å; Y44-M125 HydrophobicContact CE1-CB 4.07Å; Y44-M125 HydrophobicContact CE1-CG 3.87Å; Y44-M125 HydrophobicContact CE1-SD 3.77Å; Y44-M125 HydrophobicContact CE2-CB 4.43Å; Y44-M125 HydrophobicContact CE2-CG 3.81Å; Y44-M125 HydrophobicContact CE2-SD 4.4Å; Y44-M125 HydrophobicContact CG-CE 4.46Å; Y44-M125 HydrophobicContact CG-CG 4.1Å; Y44-M125 HydrophobicContact CG-SD 3.62Å; Y44-M125 PolarHBondContact OH-N 3Å; D48-M125 HydrophobicContact CB-CE 4.42Å; D48-M125 HydrophobicContact CB-SD 4.04Å; W49-M125 HydrophobicContact CD2-CE 3.21Å; W49-M125 VanDerWaalsContact CE2-CE 3.41Å; W49-M125 HydrophobicContact CE3-CE 3.25Å; W49-M125 HydrophobicContact CG-CE 3.82Å; W49-M125 HydrophobicContact CH2-CE 3.77Å; W49-M125 HydrophobicContact CZ2-CE 3.69Å; W49-M125 HydrophobicContact CZ3-CE 3.54Å; V52-M125 HydrophobicContact CG2-CE 4.07Å; V52-M125 HydrophobicContact CG2-SD 4.31Å; V119-M125 HydrophobicContact CG2-CG 3.84Å; M125-A127 PolarHBondContact O-N 3.48Å; M125-W128 HydrophobicContact CB-CE3 4.35Å; M125-W128 HydrophobicContact CG-CE3 4.47Å; M125-W128 HydrophobicContact CG-CZ3 4.31Å; M125-W128 PolarHBondContact O-N 3.37Å; M125-W131 VanDerWaalsContact C-CD1 3.43Å; M125-W131 HydrophobicContact CB-CB 4.29Å; M125-W131 HydrophobicContact CB-CD2 3.57Å; M125-W131 HydrophobicContact CB-CE3 4.23Å; M125-W131 HydrophobicContact CB-CG 3.55Å; M125-W131 HydrophobicContact CB-CZ2 4.45Å; M125-W131 HydrophobicContact CG-CD2 4.42Å; M125-W131 WeakPolarHBondContact O-CB 3.31Å; M125-W131 HydrophobicContact SD-CD2 3.98Å; M125-W131 HydrophobicContact SD-CE3 3.69Å; M125-W131 HydrophobicContact SD-CH2 4.08Å; M125-W131 HydrophobicContact SD-CZ2 4.33Å; M125-W131 HydrophobicContact SD-CZ3 3.76Å
126	N	94.6	Very high	95.5	Very high	87 Å²	87	58.7 Å²	58.7	47%	0.465	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-65.1	1	172.2	-64.1	-18.2	0	0	0	113.7	S124 W128 W131 S132	S124-N126 PolarHBondContact O-N 3.42Å; S124-N126 WeakPolarHBondContact OG-CB 3.34Å; S124-N126 VanDerWaalsContact OG-CG 3.27Å; S124-N126 PolarHBondContact OG-N 2.03Å; S124-N126 PolarHBondContact OG-ND2 2.91Å; N126-W128 PolarHBondContact O-N 3.44Å; N126-W131 PolarHBondContact OD1-NE1 3.44Å; N126-S132 PolarHBondContact OD1-OG 2.91Å
127	A	93.8	Very high	95.3	Very high	39 Å²	39	61 Å²	61	32%	0.322	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-64.3	-25.8	164.7	0	0	0	0	0	112	V118 H122 M125	V118-A127 HydrophobicContact CG1-CB 3.43Å; V118-A127 VanDerWaalsContact CG1-CB 3.43Å; H122-A127 HydrophobicContact CB-CB 4.04Å; M125-A127 PolarHBondContact O-N 3.48Å
128	W	96.7	Very high	95	Very high	14 Å²	14	61.8 Å²	61.8	5%	0.053	34%	0.335	C	S	.	.	S	Bend	trans	-97.3	121.1	170.6	-66.8	-83.9	0	0	0	109.6	W49 V52 E56 F77 L79 A115 V118 V119 M125 N126 S130 W131	W49-W128 HydrophobicContact CZ3-CH2 4.27Å; V52-W128 HydrophobicContact CG1-CB 4.3Å; V52-W128 HydrophobicContact CG1-CD2 4Å; V52-W128 HydrophobicContact CG1-CG 3.86Å; E56-W128 WeakPolarHBondContact OE1-CB 3.36Å; E56-W128 VanDerWaalsContact OE1-CD1 3.28Å; F77-W128 HydrophobicContact CB-CZ2 4.42Å; F77-W128 PolarHBondContact O-NE1 3.3Å; L79-W128 HydrophobicContact CD2-CZ2 4.4Å; A115-W128 HydrophobicContact CB-CH2 4.05Å; A115-W128 HydrophobicContact CB-CZ2 4.13Å; V118-W128 HydrophobicContact CB-CH2 3.66Å; V118-W128 HydrophobicContact CB-CZ2 4.12Å; V118-W128 HydrophobicContact CB-CZ3 4.35Å; V118-W128 HydrophobicContact CG1-CH2 3.57Å; V118-W128 HydrophobicContact CG1-CZ2 3.96Å; V118-W128 HydrophobicContact CG1-CZ3 3.89Å; V118-W128 HydrophobicContact CG2-CH2 4.27Å; V118-W128 HydrophobicContact CG2-CZ2 4.26Å; V119-W128 HydrophobicContact CG2-CH2 4.02Å; V119-W128 HydrophobicContact CG2-CZ3 3.55Å; M125-W128 HydrophobicContact CB-CE3 4.35Å; M125-W128 HydrophobicContact CG-CE3 4.47Å; M125-W128 HydrophobicContact CG-CZ3 4.31Å; M125-W128 PolarHBondContact O-N 3.37Å; N126-W128 PolarHBondContact O-N 3.44Å; W128-S130 PolarHBondContact O-N 2.95Å; W128-W131 HydrophobicContact CB-CB 4.1Å; W128-W131 WeakPolarHBondContact O-CB 3.34Å; W128-W131 PolarHBondContact O-N 3.33Å
129	D	94.4	Very high	94.8	Very high	98 Å²	98	67.7 Å²	67.7	52%	0.524	37%	0.367	S	S	.	.	H	α-helix	trans	-60.6	-34.8	174.6	-92.2	2.5	0	0	0	111.5	W131 S132 R133	D129-W131 VanDerWaalsContact C-N 3.29Å; D129-W131 PolarHBondContact O-N 2.94Å; D129-S132 PolarHBondContact O-N 3Å; D129-R133 WeakPolarHBondContact O-CG 3.37Å; D129-R133 PolarHBondContact O-N 3.31Å; D129-R133 VanDerWaalsContact O-N 3.16Å; D129-R133 IonicContact OD2-CZ 3.39Å; D129-R133 IonicContact OD2-NH1 2.72Å; D129-R133 IonicContact OD2-NH2 3.5Å; D129-R133 PolarHBondContact OD2-NH2 3.23Å
130	S	93.7	Very high	94.7	Very high	9 Å²	9	68.6 Å²	68.6	6%	0.063	37%	0.372	C	S	.	.	H	α-helix	trans	-60.9	-38.1	177.6	69.9	0	0	0	0	112.2	E56 W128 S132 R133 H134	E56-S130 VanDerWaalsContact CD-OG 3.3Å; E56-S130 WeakPolarHBondContact OE1-CB 3.41Å; E56-S130 PolarHBondContact OE1-OG 2.88Å; W128-S130 PolarHBondContact O-N 2.95Å; S130-S132 PolarHBondContact O-N 2.91Å; S130-R133 PolarHBondContact O-N 2.73Å; S130-H134 WeakPolarHBondContact O-CB 3.02Å; S130-H134 PolarHBondContact O-CD2 2.94Å; S130-H134 PolarHBondContact O-N 3.38Å
131	W	96.9	Very high	94.4	Very high	14 Å²	14	68.8 Å²	68.8	5%	0.053	38%	0.376	C	S	.	.	I	π-helix	trans	-58.7	-51.7	177.5	167.5	-99.8	0	0	0	110.7	Y44 D48 V52 M125 N126 W128 D129 R133 C135 S136 L140	Y44-W131 HydrophobicContact CD1-CH2 4.09Å; Y44-W131 HydrophobicContact CD1-CZ2 4.11Å; Y44-W131 HydrophobicContact CE1-CH2 4.15Å; Y44-W131 AromaticContact CE1-CZ2 3.68Å; Y44-W131 HydrophobicContact CE1-CZ2 3.68Å; D48-W131 HydrophobicContact CB-CH2 3.74Å; D48-W131 HydrophobicContact CB-CZ3 3.52Å; D48-W131 VanDerWaalsContact OD1-CH2 3.32Å; D48-W131 WeakPolarHBondContact OD1-CH2 3.49Å; V52-W131 HydrophobicContact CG2-CB 4.01Å; V52-W131 HydrophobicContact CG2-CD2 4.35Å; V52-W131 HydrophobicContact CG2-CE3 3.65Å; M125-W131 VanDerWaalsContact C-CD1 3.43Å; M125-W131 HydrophobicContact CB-CB 4.29Å; M125-W131 HydrophobicContact CB-CD2 3.57Å; M125-W131 HydrophobicContact CB-CE3 4.23Å; M125-W131 HydrophobicContact CB-CG 3.55Å; M125-W131 HydrophobicContact CB-CZ2 4.45Å; M125-W131 HydrophobicContact CG-CD2 4.42Å; M125-W131 WeakPolarHBondContact O-CB 3.31Å; M125-W131 HydrophobicContact SD-CD2 3.98Å; M125-W131 HydrophobicContact SD-CE3 3.69Å; M125-W131 HydrophobicContact SD-CH2 4.08Å; M125-W131 HydrophobicContact SD-CZ2 4.33Å; M125-W131 HydrophobicContact SD-CZ3 3.76Å; N126-W131 PolarHBondContact OD1-NE1 3.44Å; W128-W131 HydrophobicContact CB-CB 4.1Å; W128-W131 WeakPolarHBondContact O-CB 3.34Å; W128-W131 PolarHBondContact O-N 3.33Å; D129-W131 VanDerWaalsContact C-N 3.29Å; D129-W131 PolarHBondContact O-N 2.94Å; W131-R133 VanDerWaalsContact C-N 3.28Å; W131-R133 PolarHBondContact O-N 2.03Å; W131-C135 HydrophobicContact CD2-CB 3.91Å; W131-C135 HydrophobicContact CE3-CB 3.21Å; W131-C135 HydrophobicContact CH2-CB 4.36Å; W131-C135 HydrophobicContact CZ3-CB 3.47Å; W131-C135 VanDerWaalsContact CZ3-CB 3.47Å; W131-C135 WeakPolarHBondContact O-CA 3.33Å; W131-C135 WeakPolarHBondContact O-CB 3.02Å; W131-C135 PolarHBondContact O-N 2.93Å; W131-S136 PolarHBondContact O-N 2.97Å; W131-L140 HydrophobicContact CH2-CD1 4.43Å; W131-L140 HydrophobicContact CZ3-CD1 4.16Å
132	S	96.3	Very high	94.2	Very high	62 Å²	62	69.5 Å²	69.5	43%	0.434	38%	0.376	S	S	.	.	I	π-helix	trans	-65.7	-30.9	-178.9	-61.1	0	0	0	0	112.8	N126 D129 S130	N126-S132 PolarHBondContact OD1-OG 2.91Å; D129-S132 PolarHBondContact O-N 3Å; S130-S132 PolarHBondContact O-N 2.91Å
133	R	96.8	Very high	94.4	Very high	160 Å²	160	66.6 Å²	66.6	60%	0.604	36%	0.361	S	S	*	.	I	π-helix	trans	-84.5	-33.1	-177.5	-69.7	179.1	-165.6	134.8	11.7	114.2	D129 S130 W131	D129-R133 WeakPolarHBondContact O-CG 3.37Å; D129-R133 PolarHBondContact O-N 3.31Å; D129-R133 VanDerWaalsContact O-N 3.16Å; D129-R133 IonicContact OD2-CZ 3.39Å; D129-R133 IonicContact OD2-NH1 2.72Å; D129-R133 IonicContact OD2-NH2 3.5Å; D129-R133 PolarHBondContact OD2-NH2 3.23Å; S130-R133 PolarHBondContact O-N 2.73Å; W131-R133 VanDerWaalsContact C-N 3.28Å; W131-R133 PolarHBondContact O-N 2.03Å
134	H	96.9	Very high	94.7	Very high	80 Å²	80	59 Å²	59	37%	0.37	33%	0.329	S	S	.	.	I	π-helix	trans	-126.6	-16.1	-165.5	-58	-66.5	0	0	0	114.8	Y55 S130	Y55-H134 HydrophobicContact CD1-CB 3.95Å; Y55-H134 AromaticContact CD1-CD2 3.62Å; Y55-H134 AromaticContact CD1-CG 3.63Å; Y55-H134 HydrophobicContact CD2-CB 3.54Å; Y55-H134 HydrophobicContact CE1-CB 3.83Å; Y55-H134 AromaticContact CE1-CG 3.58Å; Y55-H134 AromaticContact CE1-ND1 3.71Å; Y55-H134 HydrophobicContact CE2-CB 3.42Å; Y55-H134 VanDerWaalsContact CE2-CB 3.42Å; Y55-H134 HydrophobicContact CG-CB 3.81Å; Y55-H134 AromaticContact CG-CD2 3.91Å; Y55-H134 AromaticContact CG-CG 3.93Å; Y55-H134 AromaticContact CZ-CG 3.83Å; S130-H134 WeakPolarHBondContact O-CB 3.02Å; S130-H134 PolarHBondContact O-CD2 2.94Å; S130-H134 PolarHBondContact O-N 3.38Å
135	C	97.4	Very high	94.8	Very high	1 Å²	1	63.6 Å²	63.6	1%	0.007	35%	0.346	C	S	.	.	I	π-helix	trans	-120.2	-50.2	-169.8	-55.1	0	0	0	0	112.4	C51 W131 G137 H138 L140	C51-C135 VanDerWaalsContact C-SG 3.53Å; C51-C135 HydrophobicContact CB-CB 3.82Å; C51-C135 WeakPolarHBondContact CB-SG 3.48Å; C51-C135 WeakPolarHBondContact SG-CA 3.06Å; C51-C135 WeakPolarHBondContact SG-CB 3.05Å; C51-C135 CovalentContact SG-SG 2.03Å; C51-C135 PolarHBondContact SG-SG 2.86Å; W131-C135 HydrophobicContact CD2-CB 3.91Å; W131-C135 HydrophobicContact CE3-CB 3.21Å; W131-C135 HydrophobicContact CH2-CB 4.36Å; W131-C135 HydrophobicContact CZ3-CB 3.47Å; W131-C135 VanDerWaalsContact CZ3-CB 3.47Å; W131-C135 WeakPolarHBondContact O-CA 3.33Å; W131-C135 WeakPolarHBondContact O-CB 3.02Å; W131-C135 PolarHBondContact O-N 2.93Å; C135-G137 PolarHBondContact O-N 3.35Å; C135-H138 PolarHBondContact O-N 2.82Å; C135-H138 VanDerWaalsContact O-N 3.16Å; C135-L140 HydrophobicContact CB-CD1 4.18Å
136	S	96.8	Very high	94.6	Very high	55 Å²	55	67.5 Å²	67.5	39%	0.385	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	125.2	-175.9	-177.5	0	0	0	0	111.9	W131 H138	W131-S136 PolarHBondContact O-N 2.97Å; S136-H138 VanDerWaalsContact C-N 3.29Å; S136-H138 PolarHBondContact O-N 3.05Å
137	G	94.4	Very high	94.6	Very high	83 Å²	83	64.1 Å²	64.1	86%	0.856	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.3	2.9	178	0	0	0	0	0	115.1	C135	C135-G137 PolarHBondContact O-N 3.35Å
138	H	93.3	Very high	94.2	Very high	118 Å²	118	70.4 Å²	70.4	55%	0.546	39%	0.392	S	S	.	.	S	Bend	trans	-94	156.2	171.7	-67.1	-83.9	0	0	0	111.5	C135 S136 L140	C135-H138 PolarHBondContact O-N 2.82Å; C135-H138 VanDerWaalsContact O-N 3.16Å; S136-H138 VanDerWaalsContact C-N 3.29Å; S136-H138 PolarHBondContact O-N 3.05Å; H138-L140 HydrophobicContact CB-CD2 4.17Å; H138-L140 PolarHBondContact O-N 3.16Å
139	D	93.8	Very high	93.2	Very high	127 Å²	127	70.6 Å²	70.6	68%	0.679	40%	0.395	S	S	*	.			trans	-74.5	112.6	166.6	-179.8	4.1	0	0	0	109.3	S141	D139-S141 VanDerWaalsContact CG-OG 3.28Å; D139-S141 WeakPolarHBondContact OD1-CB 3.29Å; D139-S141 PolarHBondContact OD1-N 3.02Å; D139-S141 PolarHBondContact OD1-OG 3Å; D139-S141 PolarHBondContact OD2-OG 3.2Å
140	L	94.8	Very high	91.9	Very high	20 Å²	20	73.8 Å²	73.8	11%	0.105	41%	0.406	C	S	.	.			trans	-101.4	10.4	-178.1	-61.2	-178.1	0	0	0	112.8	D48 C51 W131 C135 H138 E142 W143	D48-L140 WeakPolarHBondContact OD1-CD1 3.34Å; C51-L140 HydrophobicContact CB-CD1 4.07Å; C51-L140 HydrophobicContact CB-CD2 4.16Å; W131-L140 HydrophobicContact CH2-CD1 4.43Å; W131-L140 HydrophobicContact CZ3-CD1 4.16Å; C135-L140 HydrophobicContact CB-CD1 4.18Å; H138-L140 HydrophobicContact CB-CD2 4.17Å; H138-L140 PolarHBondContact O-N 3.16Å; L140-E142 PolarHBondContact O-N 3.08Å; L140-W143 WeakPolarHBondContact O-CB 3.22Å; L140-W143 PolarHBondContact O-N 3.47Å; L140-W143 VanDerWaalsContact O-N 3.07Å
141	S	90.8	Very high	90.4	Very high	64 Å²	64	77.8 Å²	77.8	45%	0.448	43%	0.426	S	S	.	.	G	3₁₀ helix	trans	-59.4	-33.2	178.3	63.3	0	0	0	0	113.2	D139 W143 L144 K145	D139-S141 VanDerWaalsContact CG-OG 3.28Å; D139-S141 WeakPolarHBondContact OD1-CB 3.29Å; D139-S141 PolarHBondContact OD1-N 3.02Å; D139-S141 PolarHBondContact OD1-OG 3Å; D139-S141 PolarHBondContact OD2-OG 3.2Å; S141-W143 PolarHBondContact O-N 2.92Å; S141-L144 PolarHBondContact O-N 3.01Å; S141-K145 PolarHBondContact O-N 3.43Å
142	E	91.3	Very high	88.4	Confident	110 Å²	110	86.5 Å²	86.5	51%	0.514	47%	0.465	S	S	.	.	G	3₁₀ helix	trans	-61.2	-25.9	176.8	-70.8	-68.2	134.2	0	0	112.5	L140 L144 K145	L140-E142 PolarHBondContact O-N 3.08Å; E142-L144 PolarHBondContact O-N 3.08Å; E142-K145 VanDerWaalsContact CD-NZ 3.26Å; E142-K145 WeakPolarHBondContact O-CB 3.03Å; E142-K145 PolarHBondContact O-N 3.46Å; E142-K145 WeakPolarHBondContact OE1-CD 3.08Å; E142-K145 IonicContact OE1-NZ 2.89Å; E142-K145 PolarHBondContact OE1-NZ 3.32Å; E142-K145 WeakPolarHBondContact OE2-CD 3.3Å; E142-K145 IonicContact OE2-NZ 3.84Å; E142-K145 PolarHBondContact OE2-NZ 3.48Å
143	W	95.1	Very high	86.2	Confident	45 Å²	45	91.5 Å²	91.5	17%	0.17	48%	0.479	C	S	.	.	G	3₁₀ helix	trans	-64.8	-21.8	175.9	-72.9	102.7	0	0	0	113.7	R26 L50 C51 H54 Y55 F59 L140 S141	R26-W143 WeakPolarHBondContact CD-O 3.46Å; R26-W143 HydrophobicContact CG-CE3 4.29Å; R26-W143 VanDerWaalsContact NH1-C 3.28Å; R26-W143 PolarHBondContact NH1-O 3.39Å; L50-W143 HydrophobicContact CB-CB 4.29Å; L50-W143 HydrophobicContact CB-CD2 4.28Å; L50-W143 HydrophobicContact CB-CE3 4.04Å; L50-W143 HydrophobicContact CB-CG 4.41Å; L50-W143 HydrophobicContact CD1-CB 4.14Å; L50-W143 WeakPolarHBondContact CD1-O 3.38Å; C51-W143 HydrophobicContact CB-CZ2 4.36Å; H54-W143 HydrophobicContact CB-CH2 3.46Å; H54-W143 VanDerWaalsContact CB-CH2 3.46Å; H54-W143 HydrophobicContact CB-CZ2 4.22Å; H54-W143 HydrophobicContact CB-CZ3 3.91Å; H54-W143 AromaticContact CD2-CH2 3.58Å; H54-W143 AromaticContact CG-CH2 3.37Å; H54-W143 AromaticContact ND1-CH2 3.95Å; Y55-W143 HydrophobicContact CE2-CZ2 4.4Å; F59-W143 HydrophobicContact CE2-CZ3 4.33Å; F59-W143 HydrophobicContact CZ-CE3 4.28Å; F59-W143 AromaticContact CZ-CZ3 3.69Å; F59-W143 HydrophobicContact CZ-CZ3 3.69Å; L140-W143 WeakPolarHBondContact O-CB 3.22Å; L140-W143 PolarHBondContact O-N 3.47Å; L140-W143 VanDerWaalsContact O-N 3.07Å; S141-W143 PolarHBondContact O-N 2.92Å
144	L	94.1	Very high	84.1	Confident	30 Å²	30	90.3 Å²	90.3	16%	0.157	48%	0.484	C	S	.	.	G	3₁₀ helix	trans	-107.1	-5.1	178.4	-64.5	177.6	0	0	0	113.2	A30 V46 L50 S141 E142 G146 C147 V149 L151	A30-L144 HydrophobicContact CB-CD2 4.12Å; V46-L144 HydrophobicContact CB-CD2 4.11Å; V46-L144 HydrophobicContact CG1-CD2 3.85Å; L50-L144 HydrophobicContact CD1-CD2 3.85Å; S141-L144 PolarHBondContact O-N 3.01Å; E142-L144 PolarHBondContact O-N 3.08Å; L144-G146 PolarHBondContact O-N 2.92Å; L144-C147 WeakPolarHBondContact O-CB 3.46Å; L144-C147 PolarHBondContact O-N 3.11Å; L144-V149 HydrophobicContact CD1-CG2 4.49Å; L144-V149 HydrophobicContact CD2-CG1 4.43Å; L144-V149 HydrophobicContact CD2-CG2 4.07Å; L144-L151 HydrophobicContact CD1-CD2 4.25Å
145	K	93.6	Very high	82	Confident	120 Å²	120	92.7 Å²	92.7	52%	0.522	51%	0.507	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	126.8	180	-170.4	175.2	-173.3	169.3	0	111.3	R26 S141 E142 C147	R26-K145 PolarHBondContact NH1-O 3.14Å; R26-K145 PolarHBondContact NH2-O 3.38Å; S141-K145 PolarHBondContact O-N 3.43Å; E142-K145 VanDerWaalsContact CD-NZ 3.26Å; E142-K145 WeakPolarHBondContact O-CB 3.03Å; E142-K145 PolarHBondContact O-N 3.46Å; E142-K145 WeakPolarHBondContact OE1-CD 3.08Å; E142-K145 IonicContact OE1-NZ 2.89Å; E142-K145 PolarHBondContact OE1-NZ 3.32Å; E142-K145 WeakPolarHBondContact OE2-CD 3.3Å; E142-K145 IonicContact OE2-NZ 3.84Å; E142-K145 PolarHBondContact OE2-NZ 3.48Å; K145-C147 PolarHBondContact O-N 3.35Å
146	G	92.4	Very high	80	Confident	81 Å²	81	95.6 Å²	95.6	84%	0.835	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.8	5.7	-177.5	0	0	0	0	0	115	L144	L144-G146 PolarHBondContact O-N 2.92Å
147	C	93.5	Very high	77.9	Confident	17 Å²	17	98.7 Å²	98.7	12%	0.115	55%	0.549	C	S	.	.			trans	-94	127.6	172.1	-54.7	0	0	0	0	110.2	R26 C27 A30 L144 K145 V149	R26-C147 PolarHBondContact NH1-SG 3.48Å; C27-C147 WeakPolarHBondContact CA-SG 3.4Å; C27-C147 HydrophobicContact CB-CB 3.75Å; C27-C147 WeakPolarHBondContact CB-SG 3.45Å; C27-C147 WeakPolarHBondContact SG-CA 3.5Å; C27-C147 WeakPolarHBondContact SG-CB 3.36Å; C27-C147 CovalentContact SG-SG 2.05Å; C27-C147 PolarHBondContact SG-SG 3.24Å; A30-C147 HydrophobicContact CB-CB 4.48Å; L144-C147 WeakPolarHBondContact O-CB 3.46Å; L144-C147 PolarHBondContact O-N 3.11Å; K145-C147 PolarHBondContact O-N 3.35Å; C147-V149 HydrophobicContact CB-CG1 4.3Å; C147-V149 HydrophobicContact CB-CG2 4.45Å; C147-V149 PolarHBondContact O-N 3.29Å
148	E	84.7	Confident	75.6	Confident	170 Å²	170	100 Å²	100	79%	0.794	54%	0.541	S	S	*	.			trans	-77.4	75.6	167.4	-65.4	177.4	-172.1	0	0	109.5
149	V	76.8	Confident	73.4	Confident	19 Å²	19	102 Å²	102	12%	0.115	56%	0.556	C	S	.	*			trans	-96.4	131.1	169.8	-77.3	0	0	0	0	108.8	A30 R31 E34 L144 C147 L151	A30-V149 HydrophobicContact CB-CG1 3.78Å; R31-V149 HydrophobicContact CG-CG1 4.21Å; E34-V149 WeakPolarHBondContact OE2-CA 3.4Å; E34-V149 VanDerWaalsContact OE2-CB 3.28Å; E34-V149 WeakPolarHBondContact OE2-CB 3.49Å; L144-V149 HydrophobicContact CD1-CG2 4.49Å; L144-V149 HydrophobicContact CD2-CG1 4.43Å; L144-V149 HydrophobicContact CD2-CG2 4.07Å; C147-V149 HydrophobicContact CB-CG1 4.3Å; C147-V149 HydrophobicContact CB-CG2 4.45Å; C147-V149 PolarHBondContact O-N 3.29Å; V149-L151 HydrophobicContact CB-CD2 4.49Å; V149-L151 HydrophobicContact CG2-CD2 3.97Å; V149-L151 HydrophobicContact CG2-CG 3.97Å; V149-L151 PolarHBondContact O-N 2.97Å
150	H	67.4	Low	70.8	Confident	165 Å²	165	110.5 Å²	110.5	76%	0.764	58%	0.579	S	S	*	*			trans	-77.3	69.9	176.8	-68	-63.7	0	0	0	109.7	E34 K152	E34-H150 VanDerWaalsContact CD-N 3.3Å; E34-H150 PolarHBondContact OE1-N 3.03Å; E34-H150 VanDerWaalsContact OE1-N 3.17Å; E34-H150 PolarHBondContact OE2-N 2.87Å; H150-K152 PolarHBondContact O-N 3.32Å
151	L	62.6	Low	69.6	Low	92 Å²	92	115.1 Å²	115.1	48%	0.482	60%	0.602	S	S	.	*			trans	-56.7	106.3	170.9	-59.5	178.2	0	0	0	106.5	E34 N39 L144 V149 K153	E34-L151 PolarHBondContact OE1-N 2.96Å; N39-L151 WeakPolarHBondContact ND2-CD2 3.41Å; L144-L151 HydrophobicContact CD1-CD2 4.25Å; V149-L151 HydrophobicContact CB-CD2 4.49Å; V149-L151 HydrophobicContact CG2-CD2 3.97Å; V149-L151 HydrophobicContact CG2-CG 3.97Å; V149-L151 PolarHBondContact O-N 2.97Å; L151-K153 VanDerWaalsContact C-N 3.3Å; L151-K153 PolarHBondContact O-N 2.84Å
152	K	54	Low	68.5	Low	198 Å²	198	117.7 Å²	117.7	86%	0.861	61%	0.61	S	S	*	*			trans	-59	103.6	168.9	-79.6	-174.3	175.7	-180	0	105.5	H150 D154	H150-K152 PolarHBondContact O-N 3.32Å; K152-D154 PolarHBondContact O-N 2.94Å
153	K	49.3	Very low	67.3	Low	166 Å²	166	118.2 Å²	118.2	72%	0.722	62%	0.616	S	S	*	*			trans	-53.1	124.4	168.6	-100.2	-170.1	168.9	-165.6	0	106.7	L151	L151-K153 VanDerWaalsContact C-N 3.3Å; L151-K153 PolarHBondContact O-N 2.84Å
154	D	53.4	Low	65.6	Low	136 Å²	136	122.5 Å²	122.5	73%	0.727	64%	0.642	S	S	*	*			trans	-56.3	140.8	169	-119.5	-25.9	0	0	0	108	K152 G156	K152-D154 PolarHBondContact O-N 2.94Å; D154-G156 PolarHBondContact O-N 2.88Å
155	P	52.2	Low	63.8	Low	129 Å²	129	128.3 Å²	128.3	84%	0.838	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.1	2.5	-178.5	-19.1	31.3	0	0	0	114.9
156	G	56.1	Low	61.9	Low	63 Å²	63	128.8 Å²	128.8	65%	0.649	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101	-0.8	-173.4	0	0	0	0	0	115.7	D154 T158	D154-G156 PolarHBondContact O-N 2.88Å; G156-T158 VanDerWaalsContact C-N 3.33Å; G156-T158 PolarHBondContact O-N 2.75Å; G156-T158 VanDerWaalsContact O-N 3.1Å
157	D	51.4	Low	59.7	Low	119 Å²	119	132.2 Å²	132.2	64%	0.636	67%	0.671	S	S	*	*			trans	-88.5	73.6	-178.8	-157.1	27.3	0	0	0	110.3	D159	D157-D159 PolarHBondContact O-N 3.17Å
158	T	47.8	Very low	57.1	Low	111 Å²	111	141.1 Å²	141.1	68%	0.681	71%	0.714	S	S	*	*			trans	-81.2	107	166.5	51.4	0	0	0	0	109.1	G156	G156-T158 VanDerWaalsContact C-N 3.33Å; G156-T158 PolarHBondContact O-N 2.75Å; G156-T158 VanDerWaalsContact O-N 3.1Å
159	D	45.9	Very low	54.8	Low	161 Å²	161	138.7 Å²	138.7	86%	0.861	71%	0.708	S	S	*	*			trans	-61.9	126.3	170	-156.3	23.3	0	0	0	109.7	D157	D157-D159 PolarHBondContact O-N 3.17Å
160	W	40.3	Very low	52.8	Low	305 Å²	305	149.5 Å²	149.5	100%	1.155	76%	0.761	S	S	*	*			trans	-106.1	0	165.3	-80.5	112.8	0	0	0	108.9

Retrieved 160 of 160 residues in 31.5 ms (Link to these results)

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