A0A2K5MGA4_CERAT Loading...

Phospholipase A2

AlphaFold DB , UniProt , Accession A0A2K5MGA4, Species CERAT (Cercocebus atys, Sooty mangabey), Gene PLA2G5, Length 138 aa.

						>A0A2K5MGA4_CERAT|A0A2K5MGA4|PLA2G5
MKGFLPLAWFLACSVPAVQGGLLDLKSMIEKVTGKNALTNYGFYGCYCGWGGRGTPKDGTDRCCWVHDHCYGRLEEKGCNIRTQSYKYRFAWGLVTCEPGPFCHVQLCACDRKLVYCLKRNLWSYNPQYQYFPNILCS
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	39.2	Very low	51.9	Low	245 Å²	245	164 Å²	164	100%	1.207	84%	0.836	S	S	*	*				0	130.5	0	-71.8	158.8	61.1	0	0	107.5
2	K	41.5	Very low	52.5	Low	215 Å²	215	157.6 Å²	157.6	94%	0.935	83%	0.827	S	S	*	*			trans	-66.8	136	-154.9	-74.9	166.8	174.4	174	0	112.9
3	G	46.8	Very low	52.2	Low	67 Å²	67	153.6 Å²	153.6	69%	0.691	82%	0.818	S	S	*	*			trans	-72.1	163.8	179.9	0	0	0	0	0	114.4
4	F	51.8	Low	52.6	Low	203 Å²	203	149.8 Å²	149.8	89%	0.89	81%	0.81	S	S	*	*			trans	-42.1	135.5	-179.3	-70.3	-98.5	0	0	0	116.3
5	L	55.3	Low	52.5	Low	166 Å²	166	147.7 Å²	147.7	87%	0.869	80%	0.804	S	S	*	*			trans	-141.8	98.9	146.3	-102.3	127.9	0	0	0	107.6	L7	L5-L7 PolarHBondContact O-N 3.25Å
6	P	53.9	Low	52.5	Low	107 Å²	107	145.1 Å²	145.1	70%	0.695	80%	0.796	S	S	*	*			trans	-69.8	121	164.3	29	-28.3	0	0	0	107.1	A8	P6-A8 VanDerWaalsContact C-N 3.34Å; P6-A8 PolarHBondContact O-N 3.25Å
7	L	57.3	Low	52.5	Low	152 Å²	152	141.4 Å²	141.4	80%	0.796	79%	0.789	S	S	*	*			trans	-56.4	101.1	165	-93.6	124.7	0	0	0	107.7	L5 W9	L5-L7 PolarHBondContact O-N 3.25Å; L7-W9 PolarHBondContact O-N 3.18Å
8	A	56.1	Low	52.4	Low	71 Å²	71	139.8 Å²	139.8	59%	0.587	78%	0.783	S	S	*	*			trans	-67.2	84.4	164.1	0	0	0	0	0	107.5	P6 F10	P6-A8 VanDerWaalsContact C-N 3.34Å; P6-A8 PolarHBondContact O-N 3.25Å; A8-F10 HydrophobicContact CB-CD2 4.11Å; A8-F10 HydrophobicContact CB-CE2 3.8Å; A8-F10 HydrophobicContact CB-CZ 4.42Å; A8-F10 PolarHBondContact O-N 3.44Å
9	W	53	Low	52.6	Low	230 Å²	230	140.1 Å²	140.1	87%	0.871	78%	0.778	S	S	*	*			trans	-65.2	89.3	155.4	-84.9	-1.2	0	0	0	106.7	L7 L11	L7-W9 PolarHBondContact O-N 3.18Å; W9-L11 PolarHBondContact O-N 2.82Å
10	F	60.1	Low	53.8	Low	191 Å²	191	133.6 Å²	133.6	84%	0.838	74%	0.744	S	S	*	*			trans	-58.7	98.5	160	-72.9	-83	0	0	0	106.6	A8 A12	A8-F10 HydrophobicContact CB-CD2 4.11Å; A8-F10 HydrophobicContact CB-CE2 3.8Å; A8-F10 HydrophobicContact CB-CZ 4.42Å; A8-F10 PolarHBondContact O-N 3.44Å; F10-A12 PolarHBondContact O-N 3.24Å
11	L	56.4	Low	55.4	Low	157 Å²	157	127.2 Å²	127.2	82%	0.822	71%	0.709	S	S	*	*			trans	-54.1	90.9	156.1	-87.4	152	0	0	0	106.4	W9 C13	W9-L11 PolarHBondContact O-N 2.82Å; L11-C13 PolarHBondContact O-N 3.09Å
12	A	58.1	Low	58	Low	87 Å²	87	121.1 Å²	121.1	72%	0.719	68%	0.68	S	S	*	*			trans	-65	85.8	153.6	0	0	0	0	0	105.3	F10 S14	F10-A12 PolarHBondContact O-N 3.24Å; A12-S14 PolarHBondContact O-N 3.48Å
13	C	49.4	Very low	60.6	Low	106 Å²	106	115.2 Å²	115.2	72%	0.716	66%	0.658	S	S	*	*			trans	-60.3	82.6	153.8	-85	0	0	0	0	105.6	L11 V15	L11-C13 PolarHBondContact O-N 3.09Å; C13-V15 PolarHBondContact O-N 2.92Å
14	S	58	Low	63	Low	100 Å²	100	113.1 Å²	113.1	70%	0.699	63%	0.632	S	S	*	*			trans	-62.2	88.6	158.2	48.9	0	0	0	0	104.7	A12 P16	A12-S14 PolarHBondContact O-N 3.48Å; S14-P16 WeakPolarHBondContact O-CD 3.38Å
15	V	50.8	Low	65.2	Low	119 Å²	119	104.1 Å²	104.1	72%	0.721	59%	0.593	S	S	*	*			trans	-53.8	113.6	167	-171.6	0	0	0	0	103.5	C13 A17	C13-V15 PolarHBondContact O-N 2.92Å; V15-A17 PolarHBondContact O-N 3.38Å
16	P	51.8	Low	67.2	Low	105 Å²	105	100.2 Å²	100.2	68%	0.682	57%	0.569	S	S	*	*			trans	-54	123.2	173.7	-17.9	29.8	0	0	0	104.6	S14 V18	S14-P16 WeakPolarHBondContact O-CD 3.38Å; P16-V18 VanDerWaalsContact C-N 3.34Å; P16-V18 PolarHBondContact O-N 3.39Å
17	A	52.8	Low	69.3	Low	82 Å²	82	96.9 Å²	96.9	68%	0.678	55%	0.548	S	S	*	.			trans	-52.3	110.4	172.3	0	0	0	0	0	105.5	V15 Q19	V15-A17 PolarHBondContact O-N 3.38Å; A17-Q19 VanDerWaalsContact C-N 3.28Å; A17-Q19 PolarHBondContact O-N 2.85Å
18	V	50.1	Low	71.2	Confident	113 Å²	113	89.6 Å²	89.6	69%	0.685	51%	0.51	S	S	*	.			trans	-64.1	101.4	179.6	175.6	0	0	0	0	104	P16 L23	P16-V18 VanDerWaalsContact C-N 3.34Å; P16-V18 PolarHBondContact O-N 3.39Å; V18-L23 WeakPolarHBondContact O-CD1 3.38Å
19	Q	57.1	Low	73.3	Confident	145 Å²	145	86.8 Å²	86.8	68%	0.678	49%	0.485	S	S	*	.			trans	-75.3	131.9	178.1	-74.3	160.8	-2.3	0	0	106.9	A17	A17-Q19 VanDerWaalsContact C-N 3.28Å; A17-Q19 PolarHBondContact O-N 2.85Å
20	G	77.3	Confident	75.4	Confident	10 Å²	10	78.5 Å²	78.5	10%	0.103	46%	0.456	C	S	.	.			trans	-161.5	150.1	178.6	0	0	0	0	0	110.5	L22 L23 D24 T83	G20-L22 PolarHBondContact O-N 3.17Å; G20-L22 VanDerWaalsContact O-N 3.14Å; G20-L23 WeakPolarHBondContact O-CA 3.26Å; G20-L23 WeakPolarHBondContact O-CB 3.36Å; G20-L23 PolarHBondContact O-N 3.05Å; G20-D24 PolarHBondContact O-N 3.48Å; G20-T83 WeakPolarHBondContact CA-O 3.45Å
21	G	87.1	Confident	77.2	Confident	0 Å²	0	74.1 Å²	74.1	0%	0	44%	0.436	C	S	.	.	H	α-helix	trans	-53	-40.7	-172.1	0	0	0	0	0	113.5	L23 D24 L25 R82 Q84	G21-L23 VanDerWaalsContact C-N 3.34Å; G21-L23 PolarHBondContact O-N 2.86Å; G21-D24 PolarHBondContact O-N 2.86Å; G21-L25 WeakPolarHBondContact O-CB 3.31Å; G21-L25 PolarHBondContact O-N 3.45Å; G21-R82 PolarHBondContact N-O 3.41Å; G21-Q84 WeakPolarHBondContact CA-O 3.43Å; G21-Q84 PolarHBondContact N-O 2.83Å; G21-Q84 VanDerWaalsContact N-O 3.1Å
22	L	94	Very high	79.2	Confident	117 Å²	117	67.1 Å²	67.1	61%	0.613	40%	0.4	S	S	*	.	H	α-helix	trans	-67.7	-31.8	177.4	-165	65.5	0	0	0	113.5	G20 L25 K26 R82	G20-L22 PolarHBondContact O-N 3.17Å; G20-L22 VanDerWaalsContact O-N 3.14Å; L22-L25 HydrophobicContact CD1-CD2 4.41Å; L22-K26 WeakPolarHBondContact O-CB 3.23Å; L22-K26 PolarHBondContact O-N 3.44Å; L22-R82 PolarHBondContact N-O 3.47Å
23	L	95.4	Very high	81.1	Confident	91 Å²	91	63.6 Å²	63.6	48%	0.476	37%	0.37	S	S	.	.	H	α-helix	trans	-75.3	-35.6	176.3	-67.7	171.2	0	0	0	111.4	V18 G20 G21 K26 S27	V18-L23 WeakPolarHBondContact O-CD1 3.38Å; G20-L23 WeakPolarHBondContact O-CA 3.26Å; G20-L23 WeakPolarHBondContact O-CB 3.36Å; G20-L23 PolarHBondContact O-N 3.05Å; G21-L23 VanDerWaalsContact C-N 3.34Å; G21-L23 PolarHBondContact O-N 2.86Å; L23-K26 HydrophobicContact CD2-CD 4.49Å; L23-K26 PolarHBondContact O-N 3.21Å; L23-S27 WeakPolarHBondContact O-CB 3.35Å; L23-S27 PolarHBondContact O-N 2.88Å
24	D	97.1	Very high	83.4	Confident	24 Å²	24	62 Å²	62	13%	0.128	37%	0.37	C	S	.	.	H	α-helix	trans	-63.5	-45.5	171.6	-65.2	-38.5	0	0	0	110.5	G20 G21 S27 M28 S85 Y86 Y88	G20-D24 PolarHBondContact O-N 3.48Å; G21-D24 PolarHBondContact O-N 2.86Å; D24-S27 PolarHBondContact O-N 2.54Å; D24-M28 WeakPolarHBondContact O-CB 3.34Å; D24-M28 PolarHBondContact O-N 2.99Å; D24-S85 WeakPolarHBondContact OD2-CA 3.46Å; D24-S85 WeakPolarHBondContact OD2-CB 3.41Å; D24-Y86 HydrophobicContact CB-CD1 4.3Å; D24-Y86 HydrophobicContact CB-CD2 4.22Å; D24-Y86 HydrophobicContact CB-CE1 3.76Å; D24-Y86 HydrophobicContact CB-CE2 3.65Å; D24-Y86 PolarHBondContact OD2-N 2.88Å; D24-Y88 HydrophobicContact CB-CE1 4.49Å
25	L	97.9	Very high	85.3	Confident	13 Å²	13	60.1 Å²	60.1	7%	0.068	35%	0.35	C	S	.	.	H	α-helix	trans	-60.2	-48.3	174.5	177	55.4	0	0	0	111.9	G21 L22 S27 M28 I29 Y86 D111 L114 V115	G21-L25 WeakPolarHBondContact O-CB 3.31Å; G21-L25 PolarHBondContact O-N 3.45Å; L22-L25 HydrophobicContact CD1-CD2 4.41Å; L25-S27 VanDerWaalsContact C-N 3.32Å; L25-S27 PolarHBondContact O-N 3.14Å; L25-M28 PolarHBondContact O-N 3.06Å; L25-M28 VanDerWaalsContact O-N 3.13Å; L25-I29 HydrophobicContact CD1-CD1 3.81Å; L25-I29 HydrophobicContact CD1-CG1 3.91Å; L25-I29 HydrophobicContact CG-CD1 3.87Å; L25-I29 HydrophobicContact CG-CG1 4.4Å; L25-I29 WeakPolarHBondContact O-CG1 3.47Å; L25-I29 PolarHBondContact O-N 3.44Å; L25-Y86 PolarHBondContact N-OH 2.77Å; L25-D111 WeakPolarHBondContact CB-OD2 3.36Å; L25-D111 HydrophobicContact CD1-CB 3.8Å; L25-L114 HydrophobicContact CD1-CD2 3.82Å; L25-L114 HydrophobicContact CD2-CD2 4.17Å; L25-V115 HydrophobicContact CD1-CG1 4.29Å
26	K	97.8	Very high	87.5	Confident	84 Å²	84	57.8 Å²	57.8	37%	0.365	33%	0.333	S	S	.	.	H	α-helix	trans	-52.2	-52.3	175.3	168.2	-178.2	-176.6	-61.4	0	110.8	L22 L23 M28 I29 E30 A37	L22-K26 WeakPolarHBondContact O-CB 3.23Å; L22-K26 PolarHBondContact O-N 3.44Å; L23-K26 HydrophobicContact CD2-CD 4.49Å; L23-K26 PolarHBondContact O-N 3.21Å; K26-M28 VanDerWaalsContact C-N 3.28Å; K26-M28 PolarHBondContact O-N 3.05Å; K26-I29 PolarHBondContact O-N 3.24Å; K26-E30 VanDerWaalsContact CE-OE1 3.23Å; K26-E30 WeakPolarHBondContact CE-OE1 3.41Å; K26-E30 IonicContact NZ-OE1 2.77Å; K26-E30 PolarHBondContact NZ-OE1 3.22Å; K26-E30 IonicContact NZ-OE2 2.92Å; K26-E30 PolarHBondContact NZ-OE2 3.07Å; K26-E30 WeakPolarHBondContact O-CG 3.48Å; K26-E30 PolarHBondContact O-N 3.36Å; K26-A37 HydrophobicContact CB-CB 4.17Å; K26-A37 HydrophobicContact CG-CB 3.93Å
27	S	97.5	Very high	89.7	Confident	37 Å²	37	53.1 Å²	53.1	26%	0.259	30%	0.304	S	S	.	.	H	α-helix	trans	-61.5	-38.7	-179.5	-174.3	0	0	0	0	111.7	L23 D24 L25 K31 Y88	L23-S27 WeakPolarHBondContact O-CB 3.35Å; L23-S27 PolarHBondContact O-N 2.88Å; D24-S27 PolarHBondContact O-N 2.54Å; L25-S27 VanDerWaalsContact C-N 3.32Å; L25-S27 PolarHBondContact O-N 3.14Å; S27-K31 WeakPolarHBondContact O-CB 3.36Å; S27-K31 VanDerWaalsContact O-CG 3.3Å; S27-K31 WeakPolarHBondContact O-CG 3.2Å; S27-K31 PolarHBondContact O-N 3.46Å; S27-K31 WeakPolarHBondContact OG-CE 3.3Å; S27-K31 PolarHBondContact OG-NZ 3.36Å; S27-Y88 WeakPolarHBondContact CB-OH 3.48Å; S27-Y88 PolarHBondContact OG-OH 2.91Å; S27-Y88 VanDerWaalsContact OG-OH 3.09Å
28	M	98.2	Very high	91.8	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-68.6	-43.8	179.6	-162.8	-171.3	-64.8	0	0	112.1	D24 L25 K26 K31 V32 Y86 Y88 V95 D111 R112 V115	D24-M28 WeakPolarHBondContact O-CB 3.34Å; D24-M28 PolarHBondContact O-N 2.99Å; L25-M28 PolarHBondContact O-N 3.06Å; L25-M28 VanDerWaalsContact O-N 3.13Å; K26-M28 VanDerWaalsContact C-N 3.28Å; K26-M28 PolarHBondContact O-N 3.05Å; M28-K31 PolarHBondContact O-N 2.82Å; M28-V32 HydrophobicContact CG-CG2 4.34Å; M28-V32 VanDerWaalsContact O-CB 3.31Å; M28-V32 WeakPolarHBondContact O-CB 3.45Å; M28-V32 VanDerWaalsContact O-CG2 3.25Å; M28-V32 WeakPolarHBondContact O-CG2 3.47Å; M28-V32 PolarHBondContact O-N 3.31Å; M28-Y86 HydrophobicContact CE-CE2 3.61Å; M28-Y88 HydrophobicContact CB-CE2 4.41Å; M28-Y88 HydrophobicContact CE-CD1 4Å; M28-Y88 HydrophobicContact CE-CD2 4.14Å; M28-Y88 HydrophobicContact CE-CE1 4.27Å; M28-Y88 HydrophobicContact CE-CE2 4.4Å; M28-Y88 HydrophobicContact CE-CG 3.94Å; M28-Y88 HydrophobicContact CG-CE2 4.23Å; M28-Y88 PolarHBondContact N-OH 3.3Å; M28-V95 HydrophobicContact CE-CG1 3.89Å; M28-V95 HydrophobicContact CG-CG1 4.39Å; M28-V95 HydrophobicContact CG-CG2 3.99Å; M28-V95 HydrophobicContact SD-CG1 3.83Å; M28-V95 HydrophobicContact SD-CG2 4.25Å; M28-D111 HydrophobicContact CE-CB 4.14Å; M28-D111 HydrophobicContact SD-CB 4.16Å; M28-R112 HydrophobicContact SD-CB 4.29Å; M28-V115 HydrophobicContact CB-CG1 4.06Å; M28-V115 HydrophobicContact CG-CB 4.38Å; M28-V115 HydrophobicContact CG-CG1 3.81Å; M28-V115 HydrophobicContact CG-CG2 3.9Å; M28-V115 HydrophobicContact SD-CB 4.45Å; M28-V115 HydrophobicContact SD-CG1 3.93Å; M28-V115 HydrophobicContact SD-CG2 3.66Å
29	I	98.4	Very high	94	Very high	11 Å²	11	51.7 Å²	51.7	6%	0.056	28%	0.282	C	S	.	.	H	α-helix	trans	-57.3	-51.9	174.1	-70.5	167.6	0	0	0	109.7	L25 K26 K31 V32 T33 A37 Y41 V115 L118	L25-I29 HydrophobicContact CD1-CD1 3.81Å; L25-I29 HydrophobicContact CD1-CG1 3.91Å; L25-I29 HydrophobicContact CG-CD1 3.87Å; L25-I29 HydrophobicContact CG-CG1 4.4Å; L25-I29 WeakPolarHBondContact O-CG1 3.47Å; L25-I29 PolarHBondContact O-N 3.44Å; K26-I29 PolarHBondContact O-N 3.24Å; I29-K31 VanDerWaalsContact C-N 3.34Å; I29-K31 PolarHBondContact O-N 2.87Å; I29-V32 PolarHBondContact O-N 3.14Å; I29-T33 HydrophobicContact CG2-CG2 4.43Å; I29-T33 PolarHBondContact O-N 3.25Å; I29-T33 PolarHBondContact O-OG1 2.03Å; I29-A37 HydrophobicContact CB-CB 3.87Å; I29-A37 HydrophobicContact CD1-CB 4.02Å; I29-A37 HydrophobicContact CG2-CB 3.77Å; I29-Y41 HydrophobicContact CG2-CD2 3.54Å; I29-Y41 HydrophobicContact CG2-CE2 3.51Å; I29-V115 HydrophobicContact CB-CG1 4.34Å; I29-V115 HydrophobicContact CG1-CG1 3.64Å; I29-L118 HydrophobicContact CD1-CD1 4.35Å; I29-L118 HydrophobicContact CG1-CD1 4.12Å
30	E	98.1	Very high	96	Very high	56 Å²	56	46.2 Å²	46.2	26%	0.262	26%	0.258	S	S	.	.	H	α-helix	trans	-58.3	-44.9	-178	-73.6	168.7	174.1	0	0	111.7	K26 G34 K35 A37	K26-E30 VanDerWaalsContact CE-OE1 3.23Å; K26-E30 WeakPolarHBondContact CE-OE1 3.41Å; K26-E30 IonicContact NZ-OE1 2.77Å; K26-E30 PolarHBondContact NZ-OE1 3.22Å; K26-E30 IonicContact NZ-OE2 2.92Å; K26-E30 PolarHBondContact NZ-OE2 3.07Å; K26-E30 WeakPolarHBondContact O-CG 3.48Å; K26-E30 PolarHBondContact O-N 3.36Å; E30-G34 VanDerWaalsContact O-CA 3.29Å; E30-G34 WeakPolarHBondContact O-CA 3.3Å; E30-G34 PolarHBondContact O-N 3Å; E30-K35 WeakPolarHBondContact CA-O 2.96Å; E30-K35 WeakPolarHBondContact CG-O 3.47Å; E30-A37 HydrophobicContact CG-CB 4.28Å
31	K	97.6	Very high	97	Very high	100 Å²	100	46.1 Å²	46.1	44%	0.435	26%	0.255	S	S	.	.	H	α-helix	trans	-66.7	-39.4	177.9	-74.5	171.2	-177.2	163.6	0	113.5	S27 M28 I29 Y88 F90	S27-K31 WeakPolarHBondContact O-CB 3.36Å; S27-K31 VanDerWaalsContact O-CG 3.3Å; S27-K31 WeakPolarHBondContact O-CG 3.2Å; S27-K31 PolarHBondContact O-N 3.46Å; S27-K31 WeakPolarHBondContact OG-CE 3.3Å; S27-K31 PolarHBondContact OG-NZ 3.36Å; M28-K31 PolarHBondContact O-N 2.82Å; I29-K31 VanDerWaalsContact C-N 3.34Å; I29-K31 PolarHBondContact O-N 2.87Å; K31-Y88 HydrophobicContact CD-CE2 4.41Å; K31-Y88 PolarHBondContact NZ-OH 3.13Å; K31-Y88 VanDerWaalsContact NZ-OH 3.08Å; K31-F90 HydrophobicContact CB-CD1 4.18Å; K31-F90 HydrophobicContact CB-CD2 4.27Å; K31-F90 HydrophobicContact CB-CE1 4.18Å; K31-F90 HydrophobicContact CB-CE2 4.27Å; K31-F90 HydrophobicContact CB-CG 4.21Å; K31-F90 HydrophobicContact CB-CZ 4.21Å; K31-F90 HydrophobicContact CD-CB 4.05Å; K31-F90 HydrophobicContact CD-CD1 4.25Å; K31-F90 HydrophobicContact CD-CG 4.13Å; K31-F90 HydrophobicContact CG-CD1 4.44Å; K31-F90 WeakPolarHBondContact O-CZ 3.34Å
32	V	98.1	Very high	97.4	Very high	10 Å²	10	47.1 Å²	47.1	6%	0.061	26%	0.264	C	S	.	.	H	α-helix	trans	-86	-39.1	-170.9	172.3	0	0	0	0	112.1	M28 I29 F90 V95 V115 Y116 K119	M28-V32 HydrophobicContact CG-CG2 4.34Å; M28-V32 VanDerWaalsContact O-CB 3.31Å; M28-V32 WeakPolarHBondContact O-CB 3.45Å; M28-V32 VanDerWaalsContact O-CG2 3.25Å; M28-V32 WeakPolarHBondContact O-CG2 3.47Å; M28-V32 PolarHBondContact O-N 3.31Å; I29-V32 PolarHBondContact O-N 3.14Å; V32-F90 HydrophobicContact CG2-CD2 4.17Å; V32-F90 HydrophobicContact CG2-CE2 3.77Å; V32-V95 HydrophobicContact CG2-CG2 3.62Å; V32-V115 HydrophobicContact CB-CB 3.98Å; V32-V115 HydrophobicContact CB-CG2 4.14Å; V32-V115 HydrophobicContact CG1-CB 3.96Å; V32-V115 HydrophobicContact CG1-CG2 4.02Å; V32-V115 WeakPolarHBondContact CG1-O 3.45Å; V32-V115 HydrophobicContact CG2-CB 4.19Å; V32-V115 HydrophobicContact CG2-CG2 3.84Å; V32-Y116 HydrophobicContact CG1-CD1 4.03Å; V32-Y116 HydrophobicContact CG1-CE1 4.19Å; V32-K119 HydrophobicContact CG1-CB 4.01Å; V32-K119 HydrophobicContact CG1-CD 3.86Å; V32-K119 HydrophobicContact CG1-CG 4.48Å
33	T	97.8	Very high	97.6	Very high	13 Å²	13	45.8 Å²	45.8	8%	0.08	25%	0.254	C	S	.	.	H	α-helix	trans	-103.8	-14.5	-174.7	83.9	0	0	0	0	113.3	I29 K35 Y41 L118	I29-T33 HydrophobicContact CG2-CG2 4.43Å; I29-T33 PolarHBondContact O-N 3.25Å; I29-T33 PolarHBondContact O-OG1 2.03Å; T33-K35 PolarHBondContact O-N 2.99Å; T33-K35 PolarHBondContact OG1-N 2.03Å; T33-Y41 PolarHBondContact OG1-OH 2.98Å; T33-L118 HydrophobicContact CG2-CB 3.89Å
34	G	97.7	Very high	97.7	Very high	71 Å²	71	41.4 Å²	41.4	73%	0.732	23%	0.231	S	C	*	.	S	Bend	trans	66.3	14.6	-175.4	0	0	0	0	0	114.4	E30	E30-G34 VanDerWaalsContact O-CA 3.29Å; E30-G34 WeakPolarHBondContact O-CA 3.3Å; E30-G34 PolarHBondContact O-N 3Å
35	K	97.9	Very high	97.8	Very high	61 Å²	61	40.4 Å²	40.4	27%	0.265	23%	0.226	S	C	.	.	S	Bend	trans	-110.2	152.6	178.8	-70.9	-171.2	-174	-81.1	0	109.7	E30 T33 A37 N40 Y41 L122	E30-K35 WeakPolarHBondContact CA-O 2.96Å; E30-K35 WeakPolarHBondContact CG-O 3.47Å; T33-K35 PolarHBondContact O-N 2.99Å; T33-K35 PolarHBondContact OG1-N 2.03Å; K35-A37 PolarHBondContact O-N 3.35Å; K35-N40 HydrophobicContact CB-CB 4.05Å; K35-N40 HydrophobicContact CD-CB 4.16Å; K35-Y41 HydrophobicContact CB-CE2 3.81Å; K35-Y41 HydrophobicContact CD-CE2 4.24Å; K35-L122 HydrophobicContact CD-CD2 4Å; K35-L122 HydrophobicContact CG-CD2 4.45Å
36	N	98.3	Very high	97.8	Very high	70 Å²	70	39.8 Å²	39.8	37%	0.374	22%	0.223	S	C	.	.			trans	-69.4	121.4	175.2	-179.2	-68.9	0	0	0	109.2	L38 T39 N40	N36-L38 VanDerWaalsContact C-N 3.33Å; N36-L38 PolarHBondContact O-N 3.12Å; N36-L38 PolarHBondContact OD1-N 3.05Å; N36-L38 VanDerWaalsContact OD1-N 3.08Å; N36-T39 WeakPolarHBondContact CB-OG1 2.96Å; N36-T39 PolarHBondContact OD1-N 3.39Å; N36-T39 PolarHBondContact OD1-OG1 2.85Å; N36-N40 PolarHBondContact N-OD1 3.01Å; N36-N40 WeakPolarHBondContact O-CB 3.44Å; N36-N40 PolarHBondContact O-N 3.06Å; N36-N40 PolarHBondContact O-OD1 3.45Å
37	A	97.9	Very high	97.8	Very high	8 Å²	8	36.6 Å²	36.6	7%	0.066	21%	0.209	C	C	.	.	H	α-helix	trans	-62	-42.2	-172.5	0	0	0	0	0	112.5	K26 I29 E30 K35 Y41 G42	K26-A37 HydrophobicContact CB-CB 4.17Å; K26-A37 HydrophobicContact CG-CB 3.93Å; I29-A37 HydrophobicContact CB-CB 3.87Å; I29-A37 HydrophobicContact CD1-CB 4.02Å; I29-A37 HydrophobicContact CG2-CB 3.77Å; E30-A37 HydrophobicContact CG-CB 4.28Å; K35-A37 PolarHBondContact O-N 3.35Å; A37-Y41 CarbonylContact O-C 3.58Å; A37-Y41 WeakPolarHBondContact O-CB 3.02Å; A37-Y41 PolarHBondContact O-N 2.85Å; A37-Y41 VanDerWaalsContact O-N 3.08Å; A37-G42 PolarHBondContact O-N 3.45Å
38	L	96	Very high	97.8	Very high	108 Å²	108	35.1 Å²	35.1	57%	0.565	20%	0.198	S	C	*	.	H	α-helix	trans	-71.1	-50.4	-174.7	-177.3	60.5	0	0	0	111.4	N36 G42 F43	N36-L38 VanDerWaalsContact C-N 3.33Å; N36-L38 PolarHBondContact O-N 3.12Å; N36-L38 PolarHBondContact OD1-N 3.05Å; N36-L38 VanDerWaalsContact OD1-N 3.08Å; L38-G42 WeakPolarHBondContact O-CA 3.44Å; L38-G42 PolarHBondContact O-N 3.07Å; L38-G42 VanDerWaalsContact O-N 3.09Å; L38-F43 HydrophobicContact CD1-CE2 4.31Å
39	T	97.1	Very high	97.6	Very high	56 Å²	56	37.5 Å²	37.5	34%	0.344	22%	0.223	S	C	.	.	H	α-helix	trans	-79.9	-29.8	-174.6	61.9	0	0	0	0	113.2	N36 Y131	N36-T39 WeakPolarHBondContact CB-OG1 2.96Å; N36-T39 PolarHBondContact OD1-N 3.39Å; N36-T39 PolarHBondContact OD1-OG1 2.85Å; T39-Y131 WeakPolarHBondContact CA-OH 3.21Å; T39-Y131 VanDerWaalsContact CB-OH 3.3Å; T39-Y131 WeakPolarHBondContact CB-OH 3.46Å
40	N	98.4	Very high	97	Very high	30 Å²	30	44.7 Å²	44.7	16%	0.16	25%	0.25	C	C	.	.	H	α-helix	trans	-92.6	-26.3	-178.3	-62.1	115.3	0	0	0	114	K35 N36 Y44 Y125 Q130	K35-N40 HydrophobicContact CB-CB 4.05Å; K35-N40 HydrophobicContact CD-CB 4.16Å; N36-N40 PolarHBondContact N-OD1 3.01Å; N36-N40 WeakPolarHBondContact O-CB 3.44Å; N36-N40 PolarHBondContact O-N 3.06Å; N36-N40 PolarHBondContact O-OD1 3.45Å; N40-Y44 WeakPolarHBondContact O-CD2 3.2Å; N40-Y125 WeakPolarHBondContact CA-OH 3.28Å; N40-Y125 PolarHBondContact O-OH 3Å; N40-Q130 PolarHBondContact ND2-NE2 2.88Å
41	Y	98.3	Very high	96.5	Very high	9 Å²	9	44.5 Å²	44.5	4%	0.035	26%	0.262	C	S	.	.	H	α-helix	trans	-130.8	-19.3	-174.6	-54.4	-74.8	0	0	0	114.4	I29 T33 K35 A37 F43 Y44 C48 T60 L118 Y125	I29-Y41 HydrophobicContact CG2-CD2 3.54Å; I29-Y41 HydrophobicContact CG2-CE2 3.51Å; T33-Y41 PolarHBondContact OG1-OH 2.98Å; K35-Y41 HydrophobicContact CB-CE2 3.81Å; K35-Y41 HydrophobicContact CD-CE2 4.24Å; A37-Y41 CarbonylContact O-C 3.58Å; A37-Y41 WeakPolarHBondContact O-CB 3.02Å; A37-Y41 PolarHBondContact O-N 2.85Å; A37-Y41 VanDerWaalsContact O-N 3.08Å; Y41-F43 PolarHBondContact O-N 3.19Å; Y41-Y44 PolarHBondContact O-N 3.05Å; Y41-C48 WeakPolarHBondContact O-CB 3.44Å; Y41-T60 HydrophobicContact CD1-CG2 3.86Å; Y41-T60 HydrophobicContact CE1-CG2 3.78Å; Y41-L118 HydrophobicContact CD1-CD1 4.21Å; Y41-L118 HydrophobicContact CD1-CD2 3.96Å; Y41-L118 HydrophobicContact CD2-CD1 4.43Å; Y41-L118 HydrophobicContact CE1-CB 4.35Å; Y41-L118 HydrophobicContact CE1-CD1 4.19Å; Y41-L118 HydrophobicContact CE1-CD2 3.86Å; Y41-L118 HydrophobicContact CE1-CG 4.35Å; Y41-L118 HydrophobicContact CE2-CD1 4.37Å; Y41-L118 HydrophobicContact CG-CD1 4.31Å; Y41-Y125 HydrophobicContact CD1-CE2 4.11Å; Y41-Y125 HydrophobicContact CE1-CD2 4.04Å; Y41-Y125 AromaticContact CE1-CE2 3.68Å; Y41-Y125 HydrophobicContact CE1-CE2 3.68Å
42	G	96.4	Very high	96.2	Very high	20 Å²	20	41.5 Å²	41.5	21%	0.206	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-15.4	-173.6	0	0	0	0	0	115.5	A37 L38 C48 G49	A37-G42 PolarHBondContact O-N 3.45Å; L38-G42 WeakPolarHBondContact O-CA 3.44Å; L38-G42 PolarHBondContact O-N 3.07Å; L38-G42 VanDerWaalsContact O-N 3.09Å; G42-C48 CarbonylContact C-O 3.57Å; G42-G49 WeakPolarHBondContact O-CA 3.33Å
43	F	96.9	Very high	96.1	Very high	89 Å²	89	47.3 Å²	47.3	39%	0.39	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-145.5	38.2	177.1	-56.6	-84.4	0	0	0	110.5	L38 Y41 C48 W50 Y131 F132	L38-F43 HydrophobicContact CD1-CE2 4.31Å; Y41-F43 PolarHBondContact O-N 3.19Å; F43-C48 WeakPolarHBondContact CA-O 3.37Å; F43-W50 AromaticContact CE1-CD1 3.74Å; F43-Y131 HydrophobicContact CB-CD1 3.89Å; F43-Y131 AromaticContact CD2-CD1 3.84Å; F43-Y131 HydrophobicContact CD2-CD1 3.84Å; F43-Y131 AromaticContact CD2-CE1 3.89Å; F43-Y131 HydrophobicContact CD2-CE1 3.89Å; F43-Y131 HydrophobicContact CG-CD1 4.14Å; F43-Y131 WeakPolarHBondContact O-CA 2.87Å; F43-Y131 PolarHBondContact O-N 2.79Å; F43-F132 PolarHBondContact O-N 2.99Å; F43-F132 VanDerWaalsContact O-N 3.15Å
44	Y	98.4	Very high	96	Very high	0 Å²	0	48 Å²	48	0%	0	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-89.9	127	-175.1	-171.4	-78.3	0	0	0	111.4	N40 Y41 C48 D58 T60 D61 Y125 N126 Y129 Q130	N40-Y44 WeakPolarHBondContact O-CD2 3.2Å; Y41-Y44 PolarHBondContact O-N 3.05Å; Y44-C48 PolarHBondContact N-O 3.16Å; Y44-C48 WeakPolarHBondContact O-CB 3.37Å; Y44-C48 PolarHBondContact O-N 3.29Å; Y44-C48 PolarHBondContact O-SG 2.67Å; Y44-D58 WeakPolarHBondContact CE1-OD1 3.38Å; Y44-D58 PolarHBondContact OH-OD2 3.37Å; Y44-T60 HydrophobicContact CD1-CG2 3.75Å; Y44-T60 HydrophobicContact CE1-CG2 3.63Å; Y44-T60 HydrophobicContact CG-CG2 4.29Å; Y44-D61 HydrophobicContact CD1-CB 4.4Å; Y44-D61 HydrophobicContact CE1-CB 4.44Å; Y44-Y125 AromaticContact CD2-CE2 3.66Å; Y44-Y125 HydrophobicContact CD2-CE2 3.66Å; Y44-Y125 AromaticContact CD2-CZ 3.76Å; Y44-Y125 AromaticContact CE2-CD2 3.87Å; Y44-Y125 HydrophobicContact CE2-CD2 3.87Å; Y44-Y125 HydrophobicContact CE2-CE1 4.09Å; Y44-Y125 AromaticContact CE2-CE2 3.27Å; Y44-Y125 HydrophobicContact CE2-CE2 3.27Å; Y44-Y125 HydrophobicContact CE2-CG 4.49Å; Y44-Y125 AromaticContact CE2-CZ 3.39Å; Y44-Y125 AromaticContact CZ-CE2 3.98Å; Y44-N126 VanDerWaalsContact CE2-O 3.23Å; Y44-N126 WeakPolarHBondContact CE2-O 3.46Å; Y44-N126 PolarHBondContact OH-N 2.91Å; Y44-N126 PolarHBondContact OH-O 3.23Å; Y44-N126 VanDerWaalsContact OH-O 3.14Å; Y44-Y129 CarbonylContact C-O 3.58Å; Y44-Y129 VanDerWaalsContact CA-O 3.25Å; Y44-Y129 WeakPolarHBondContact CA-O 3.5Å; Y44-Y129 HydrophobicContact CE1-CD2 4.28Å; Y44-Q130 HydrophobicContact CD2-CG 4.15Å
45	G	98.3	Very high	96	Very high	2 Å²	2	49.1 Å²	49.1	2%	0.021	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.7	-138.7	178.6	0	0	0	0	0	112.7	Y129	G45-Y129 PolarHBondContact N-O 2.72Å
46	C	98.4	Very high	96	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.007	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.4	-13.5	-174.7	-69	0	0	0	0	114.5	G52 K57 D61 C137	C46-G52 PolarHBondContact O-N 2.75Å; C46-K57 WeakPolarHBondContact SG-CE 3.13Å; C46-D61 VanDerWaalsContact N-CG 3.26Å; C46-D61 PolarHBondContact N-OD1 3.34Å; C46-D61 PolarHBondContact N-OD2 2.85Å; C46-C137 WeakPolarHBondContact CA-SG 3.47Å; C46-C137 HydrophobicContact CB-CB 3.74Å; C46-C137 WeakPolarHBondContact CB-SG 3.37Å; C46-C137 VanDerWaalsContact SG-CA 3.53Å; C46-C137 WeakPolarHBondContact SG-CB 3.35Å; C46-C137 CovalentContact SG-SG 2.03Å; C46-C137 PolarHBondContact SG-SG 3.47Å
47	Y	98.4	Very high	96	Very high	17 Å²	17	47 Å²	47	7%	0.067	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.1	-26.5	-172.9	-73.8	-88	0	0	0	113.3	G49 G52 R53 G54 P56 D61 W65	Y47-G49 PolarHBondContact O-N 3.31Å; Y47-G49 VanDerWaalsContact O-N 3.12Å; Y47-G52 WeakPolarHBondContact CE1-O 3.25Å; Y47-G52 PolarHBondContact OH-O 3Å; Y47-R53 VanDerWaalsContact OH-C 3.25Å; Y47-R53 WeakPolarHBondContact OH-CA 3.23Å; Y47-G54 PolarHBondContact OH-O 2.86Å; Y47-P56 HydrophobicContact CD2-CB 4.32Å; Y47-P56 HydrophobicContact CD2-CG 3.94Å; Y47-P56 HydrophobicContact CE2-CG 3.87Å; Y47-D61 WeakPolarHBondContact CA-OD1 3.34Å; Y47-D61 WeakPolarHBondContact CB-OD1 3Å; Y47-D61 PolarHBondContact N-OD1 2.93Å; Y47-W65 HydrophobicContact CD1-CB 3.94Å; Y47-W65 AromaticContact CD1-CD1 3.65Å; Y47-W65 HydrophobicContact CD1-CG 4.16Å; Y47-W65 HydrophobicContact CD2-CB 4.2Å; Y47-W65 HydrophobicContact CE1-CB 4.42Å; Y47-W65 AromaticContact CE1-CD1 3.25Å; Y47-W65 HydrophobicContact CE1-CG 4.16Å; Y47-W65 AromaticContact CE2-CD1 3.72Å; Y47-W65 HydrophobicContact CG-CB 3.84Å; Y47-W65 HydrophobicContact CG-CG 4.41Å; Y47-W65 AromaticContact CZ-CD1 3.3Å; Y47-W65 AromaticContact CZ-NE1 3.97Å
48	C	97.8	Very high	96	Very high	5 Å²	5	48 Å²	48	3%	0.034	28%	0.277	C	S	.	.	S	Bend	trans	-75.9	110	179.1	-48.5	0	0	0	0	111.2	Y41 G42 F43 Y44 C64	Y41-C48 WeakPolarHBondContact O-CB 3.44Å; G42-C48 CarbonylContact C-O 3.57Å; F43-C48 WeakPolarHBondContact CA-O 3.37Å; Y44-C48 PolarHBondContact N-O 3.16Å; Y44-C48 WeakPolarHBondContact O-CB 3.37Å; Y44-C48 PolarHBondContact O-N 3.29Å; Y44-C48 PolarHBondContact O-SG 2.67Å; C48-C64 WeakPolarHBondContact CA-SG 3.38Å; C48-C64 HydrophobicContact CB-CB 3.74Å; C48-C64 WeakPolarHBondContact CB-SG 3.32Å; C48-C64 WeakPolarHBondContact SG-CB 3.49Å; C48-C64 CovalentContact SG-SG 2.02Å; C48-C64 PolarHBondContact SG-SG 2.87Å
49	G	93.2	Very high	96.1	Very high	51 Å²	51	44.1 Å²	44.1	53%	0.526	26%	0.263	S	S	.	.	S	Bend	trans	98.7	-124.3	179.3	0	0	0	0	0	112.5	G42 Y47	G42-G49 WeakPolarHBondContact O-CA 3.33Å; Y47-G49 PolarHBondContact O-N 3.31Å; Y47-G49 VanDerWaalsContact O-N 3.12Å
50	W	85.6	Confident	96.2	Very high	162 Å²	162	41.5 Å²	41.5	61%	0.614	25%	0.247	S	C	*	.	S	Bend	trans	-86.6	127.4	175.3	-61	93	0	0	0	109.3	F43 N134	F43-W50 AromaticContact CE1-CD1 3.74Å; W50-N134 PolarHBondContact O-ND2 2.85Å; W50-N134 PolarHBondContact O-OD1 2.91Å
51	G	87.6	Confident	96.2	Very high	51 Å²	51	40 Å²	40	53%	0.526	24%	0.239	S	C	.	.			trans	160.8	-134.8	-176.1	0	0	0	0	0	111.9
52	G	92.6	Very high	96.3	Very high	37 Å²	37	45 Å²	45	38%	0.381	26%	0.258	S	S	.	.			trans	114.2	17.3	172.1	0	0	0	0	0	115.6	C46 Y47	C46-G52 PolarHBondContact O-N 2.75Å; Y47-G52 WeakPolarHBondContact CE1-O 3.25Å; Y47-G52 PolarHBondContact OH-O 3Å
53	R	94.6	Very high	96.4	Very high	133 Å²	133	44.1 Å²	44.1	50%	0.502	25%	0.248	S	C	.	.			trans	-131.9	158.2	-176.5	72	178.7	-178.2	-167.3	0.5	113.5	Y47 N134 C137	Y47-R53 VanDerWaalsContact OH-C 3.25Å; Y47-R53 WeakPolarHBondContact OH-CA 3.23Å; R53-N134 PolarHBondContact NE-O 2.85Å; R53-N134 PolarHBondContact NH2-O 3.3Å; R53-C137 HydrophobicContact CG-CB 4.03Å
54	G	95.9	Very high	96.5	Very high	26 Å²	26	40.1 Å²	40.1	27%	0.268	23%	0.232	S	C	.	.	S	Bend	trans	75.5	-156.6	175.9	0	0	0	0	0	114	Y47 S138	Y47-G54 PolarHBondContact OH-O 2.86Å; G54-S138 CarbonylContact C-O 3.59Å; G54-S138 VanDerWaalsContact CA-O 3.3Å; G54-S138 WeakPolarHBondContact CA-O 3.39Å; G54-S138 WeakPolarHBondContact CA-OXT 3.5Å
55	T	97.2	Very high	96.5	Very high	96 Å²	96	43.2 Å²	43.2	59%	0.589	24%	0.244	S	C	*	.			trans	-94.8	131.6	-179.6	-53.4	0	0	0	0	111.1	K57 S138	T55-K57 PolarHBondContact O-N 3.23Å; T55-S138 PolarHBondContact N-O 3.04Å
56	P	98.3	Very high	96.5	Very high	25 Å²	25	46.6 Å²	46.6	16%	0.162	26%	0.264	C	S	.	.			trans	-55.9	135	173.2	-25.1	34.2	0	0	0	112.1	Y47 D61 R62 W65	Y47-P56 HydrophobicContact CD2-CB 4.32Å; Y47-P56 HydrophobicContact CD2-CG 3.94Å; Y47-P56 HydrophobicContact CE2-CG 3.87Å; P56-D61 VanDerWaalsContact CA-OD2 3.3Å; P56-D61 WeakPolarHBondContact CA-OD2 3.45Å; P56-D61 HydrophobicContact CB-CB 4.17Å; P56-R62 HydrophobicContact CB-CB 4.14Å; P56-W65 HydrophobicContact CG-CB 3.94Å; P56-W65 HydrophobicContact CG-CG 4.02Å
57	K	98.3	Very high	96.5	Very high	60 Å²	60	47.3 Å²	47.3	26%	0.261	27%	0.267	S	S	.	.	S	Bend	trans	-71.5	-32.7	-172.5	-63.8	-52.5	-170	-168.9	0	114.2	C46 T55 D61 Y129 F132 L136	C46-K57 WeakPolarHBondContact SG-CE 3.13Å; T55-K57 PolarHBondContact O-N 3.23Å; K57-D61 HydrophobicContact CB-CB 4.44Å; K57-D61 PolarHBondContact N-OD2 3.15Å; K57-Y129 HydrophobicContact CB-CD1 4.2Å; K57-Y129 HydrophobicContact CB-CD2 3.89Å; K57-Y129 HydrophobicContact CB-CE1 4.13Å; K57-Y129 HydrophobicContact CB-CE2 3.8Å; K57-Y129 HydrophobicContact CB-CG 4.1Å; K57-Y129 HydrophobicContact CG-CD1 4.32Å; K57-Y129 HydrophobicContact CG-CE1 4.35Å; K57-F132 HydrophobicContact CD-CE1 4.41Å; K57-F132 HydrophobicContact CD-CZ 4.45Å; K57-F132 HydrophobicContact CG-CE1 4.46Å; K57-L136 PolarHBondContact NZ-O 2.78Å
58	D	98.6	Very high	96.5	Very high	30 Å²	30	49 Å²	49	16%	0.16	28%	0.277	C	S	.	.	S	Bend	trans	-157.4	-170.3	178	67.3	12.3	0	0	0	111.5	Y44 T60 D61 R62 Y129	Y44-D58 WeakPolarHBondContact CE1-OD1 3.38Å; Y44-D58 PolarHBondContact OH-OD2 3.37Å; D58-T60 VanDerWaalsContact C-N 3.29Å; D58-T60 PolarHBondContact O-N 3.5Å; D58-T60 WeakPolarHBondContact OD1-CA 3.47Å; D58-T60 VanDerWaalsContact OD1-CB 3.26Å; D58-T60 WeakPolarHBondContact OD1-CB 3.29Å; D58-T60 PolarHBondContact OD1-N 3.04Å; D58-D61 PolarHBondContact O-N 3.3Å; D58-D61 PolarHBondContact OD1-N 3.07Å; D58-R62 WeakPolarHBondContact O-CB 3.07Å; D58-R62 PolarHBondContact O-N 2.8Å; D58-Y129 HydrophobicContact CB-CD2 4.47Å; D58-Y129 HydrophobicContact CB-CE2 4.21Å
59	G	98.7	Very high	96.5	Very high	26 Å²	26	53.1 Å²	53.1	27%	0.268	30%	0.296	S	S	.	.	H	α-helix	trans	-62.6	-30.9	177.1	0	0	0	0	0	114.3	C63 N121	G59-C63 PolarHBondContact O-N 2.91Å; G59-C63 PolarHBondContact O-SG 3.46Å; G59-N121 WeakPolarHBondContact CA-OD1 3.46Å; G59-N121 PolarHBondContact O-ND2 3.3Å
60	T	98.8	Very high	96.7	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.006	28%	0.276	C	S	.	.	H	α-helix	trans	-68.8	-49.1	175.7	-61	0	0	0	0	110.3	Y41 Y44 D58 R62 C63 C64 L118 Y125	Y41-T60 HydrophobicContact CD1-CG2 3.86Å; Y41-T60 HydrophobicContact CE1-CG2 3.78Å; Y44-T60 HydrophobicContact CD1-CG2 3.75Å; Y44-T60 HydrophobicContact CE1-CG2 3.63Å; Y44-T60 HydrophobicContact CG-CG2 4.29Å; D58-T60 VanDerWaalsContact C-N 3.29Å; D58-T60 PolarHBondContact O-N 3.5Å; D58-T60 WeakPolarHBondContact OD1-CA 3.47Å; D58-T60 VanDerWaalsContact OD1-CB 3.26Å; D58-T60 WeakPolarHBondContact OD1-CB 3.29Å; D58-T60 PolarHBondContact OD1-N 3.04Å; T60-R62 VanDerWaalsContact C-N 3.28Å; T60-R62 PolarHBondContact O-N 3.43Å; T60-C63 WeakPolarHBondContact O-CB 3.15Å; T60-C63 PolarHBondContact O-N 2.96Å; T60-C64 PolarHBondContact O-N 3.42Å; T60-L118 HydrophobicContact CG2-CD2 3.7Å; T60-Y125 HydrophobicContact CG2-CD2 4.24Å; T60-Y125 HydrophobicContact CG2-CE2 4.4Å
61	D	98.8	Very high	97.3	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-64.9	-34.5	178.8	-162.9	25.4	0	0	0	111.6	Y44 C46 Y47 P56 K57 D58 C63 C64 W65	Y44-D61 HydrophobicContact CD1-CB 4.4Å; Y44-D61 HydrophobicContact CE1-CB 4.44Å; C46-D61 VanDerWaalsContact N-CG 3.26Å; C46-D61 PolarHBondContact N-OD1 3.34Å; C46-D61 PolarHBondContact N-OD2 2.85Å; Y47-D61 WeakPolarHBondContact CA-OD1 3.34Å; Y47-D61 WeakPolarHBondContact CB-OD1 3Å; Y47-D61 PolarHBondContact N-OD1 2.93Å; P56-D61 VanDerWaalsContact CA-OD2 3.3Å; P56-D61 WeakPolarHBondContact CA-OD2 3.45Å; P56-D61 HydrophobicContact CB-CB 4.17Å; K57-D61 HydrophobicContact CB-CB 4.44Å; K57-D61 PolarHBondContact N-OD2 3.15Å; D58-D61 PolarHBondContact O-N 3.3Å; D58-D61 PolarHBondContact OD1-N 3.07Å; D61-C63 VanDerWaalsContact C-N 3.27Å; D61-C63 PolarHBondContact O-N 2.94Å; D61-C64 WeakPolarHBondContact O-CB 3.41Å; D61-C64 PolarHBondContact O-N 3.35Å; D61-C64 VanDerWaalsContact O-N 3.12Å; D61-W65 PolarHBondContact O-N 2.97Å
62	R	98.8	Very high	97.8	Very high	112 Å²	112	43.5 Å²	43.5	42%	0.423	24%	0.237	S	C	.	.	H	α-helix	trans	-62.8	-32.1	172.6	-173.3	63.1	176.9	173.9	2.3	112.5	P56 D58 T60 C64 W65 V66	P56-R62 HydrophobicContact CB-CB 4.14Å; D58-R62 WeakPolarHBondContact O-CB 3.07Å; D58-R62 PolarHBondContact O-N 2.8Å; T60-R62 VanDerWaalsContact C-N 3.28Å; T60-R62 PolarHBondContact O-N 3.43Å; R62-C64 VanDerWaalsContact C-N 3.31Å; R62-W65 VanDerWaalsContact NH1-CE2 3.28Å; R62-W65 WeakPolarHBondContact O-CB 3.33Å; R62-W65 PolarHBondContact O-N 3.21Å; R62-V66 WeakPolarHBondContact O-CG2 3.07Å; R62-V66 PolarHBondContact O-N 3.03Å; R62-V66 VanDerWaalsContact O-N 3.14Å
63	C	98.9	Very high	98.1	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.014	25%	0.245	C	C	.	.	H	α-helix	trans	-61.9	-42.4	173.2	-58.9	0	0	0	0	111.5	G59 T60 D61 V66 H67 L114 C117 L118 N121	G59-C63 PolarHBondContact O-N 2.91Å; G59-C63 PolarHBondContact O-SG 3.46Å; T60-C63 WeakPolarHBondContact O-CB 3.15Å; T60-C63 PolarHBondContact O-N 2.96Å; D61-C63 VanDerWaalsContact C-N 3.27Å; D61-C63 PolarHBondContact O-N 2.94Å; C63-V66 PolarHBondContact O-N 2.02Å; C63-H67 WeakPolarHBondContact O-CB 3.37Å; C63-H67 PolarHBondContact O-N 2.81Å; C63-L114 HydrophobicContact CB-CD1 3.87Å; C63-C117 VanDerWaalsContact CA-SG 3.51Å; C63-C117 HydrophobicContact CB-CB 3.62Å; C63-C117 WeakPolarHBondContact CB-SG 3.17Å; C63-C117 WeakPolarHBondContact SG-CB 3.41Å; C63-C117 PolarHBondContact SG-O 3.37Å; C63-C117 CovalentContact SG-SG 2.03Å; C63-C117 PolarHBondContact SG-SG 3.14Å; C63-L118 HydrophobicContact CB-CD2 3.94Å; C63-L118 HydrophobicContact CB-CG 4.5Å; C63-N121 PolarHBondContact SG-ND2 3.28Å; C63-N121 VanDerWaalsContact SG-ND2 3.45Å
64	C	98.7	Very high	98.3	Very high	6 Å²	6	42.6 Å²	42.6	4%	0.041	22%	0.223	C	C	.	.	H	α-helix	trans	-68.6	-39.7	178.4	-58.7	0	0	0	0	111.4	C48 T60 D61 R62 V66 H67 D68	C48-C64 WeakPolarHBondContact CA-SG 3.38Å; C48-C64 HydrophobicContact CB-CB 3.74Å; C48-C64 WeakPolarHBondContact CB-SG 3.32Å; C48-C64 WeakPolarHBondContact SG-CB 3.49Å; C48-C64 CovalentContact SG-SG 2.02Å; C48-C64 PolarHBondContact SG-SG 2.87Å; T60-C64 PolarHBondContact O-N 3.42Å; D61-C64 WeakPolarHBondContact O-CB 3.41Å; D61-C64 PolarHBondContact O-N 3.35Å; D61-C64 VanDerWaalsContact O-N 3.12Å; R62-C64 VanDerWaalsContact C-N 3.31Å; C64-V66 VanDerWaalsContact C-N 3.31Å; C64-V66 PolarHBondContact O-N 3.47Å; C64-H67 CarbonylContact O-C 3.53Å; C64-H67 WeakPolarHBondContact O-CA 3.37Å; C64-H67 WeakPolarHBondContact O-CB 3.46Å; C64-H67 PolarHBondContact O-N 3.28Å; C64-D68 PolarHBondContact O-N 3.12Å
65	W	98.6	Very high	98.4	Very high	65 Å²	65	46.1 Å²	46.1	25%	0.246	23%	0.232	C	C	.	.	H	α-helix	trans	-54	-46.3	171.2	-178.9	95.5	0	0	0	112.6	Y47 P56 D61 R62 H67 H69	Y47-W65 HydrophobicContact CD1-CB 3.94Å; Y47-W65 AromaticContact CD1-CD1 3.65Å; Y47-W65 HydrophobicContact CD1-CG 4.16Å; Y47-W65 HydrophobicContact CD2-CB 4.2Å; Y47-W65 HydrophobicContact CE1-CB 4.42Å; Y47-W65 AromaticContact CE1-CD1 3.25Å; Y47-W65 HydrophobicContact CE1-CG 4.16Å; Y47-W65 AromaticContact CE2-CD1 3.72Å; Y47-W65 HydrophobicContact CG-CB 3.84Å; Y47-W65 HydrophobicContact CG-CG 4.41Å; Y47-W65 AromaticContact CZ-CD1 3.3Å; Y47-W65 AromaticContact CZ-NE1 3.97Å; P56-W65 HydrophobicContact CG-CB 3.94Å; P56-W65 HydrophobicContact CG-CG 4.02Å; D61-W65 PolarHBondContact O-N 2.97Å; R62-W65 VanDerWaalsContact NH1-CE2 3.28Å; R62-W65 WeakPolarHBondContact O-CB 3.33Å; R62-W65 PolarHBondContact O-N 3.21Å; W65-H67 VanDerWaalsContact C-N 3.32Å; W65-H69 AromaticContact CD2-CE1 3.75Å; W65-H69 AromaticContact CD2-ND1 3.79Å; W65-H69 AromaticContact CE2-CE1 3.2Å; W65-H69 AromaticContact CE2-ND1 3.75Å; W65-H69 AromaticContact CE2-NE2 3.96Å; W65-H69 AromaticContact CH2-CE1 4Å; W65-H69 AromaticContact CZ2-CE1 3.36Å; W65-H69 WeakPolarHBondContact CZ2-CE1 3.45Å; W65-H69 AromaticContact CZ2-NE2 3.63Å; W65-H69 AromaticContact NE1-CE1 3.46Å; W65-H69 PolarHBondContact NE1-CE1 2.03Å; W65-H69 PolarHBondContact O-N 3.15Å; W65-H69 PolarHBondContact O-ND1 3.33Å
66	V	98.7	Very high	98.4	Very high	73 Å²	73	49.3 Å²	49.3	44%	0.442	24%	0.24	S	C	.	.	H	α-helix	trans	-66.8	-36.2	177.1	174.3	0	0	0	0	111.4	R62 C63 C64 H69 C70	R62-V66 WeakPolarHBondContact O-CG2 3.07Å; R62-V66 PolarHBondContact O-N 3.03Å; R62-V66 VanDerWaalsContact O-N 3.14Å; C63-V66 PolarHBondContact O-N 2.02Å; C64-V66 VanDerWaalsContact C-N 3.31Å; C64-V66 PolarHBondContact O-N 3.47Å; V66-H69 PolarHBondContact O-N 3.48Å; V66-C70 PolarHBondContact O-N 3.15Å; V66-C70 VanDerWaalsContact O-N 3.07Å
67	H	98.6	Very high	98.4	Very high	15 Å²	15	54.5 Å²	54.5	7%	0.069	26%	0.261	C	S	.	.	H	α-helix	trans	-66.3	-45	178.7	-179.7	-113.2	0	0	0	111.9	C63 C64 W65 H69 C70 Y71 D111 L114	C63-H67 WeakPolarHBondContact O-CB 3.37Å; C63-H67 PolarHBondContact O-N 2.81Å; C64-H67 CarbonylContact O-C 3.53Å; C64-H67 WeakPolarHBondContact O-CA 3.37Å; C64-H67 WeakPolarHBondContact O-CB 3.46Å; C64-H67 PolarHBondContact O-N 3.28Å; W65-H67 VanDerWaalsContact C-N 3.32Å; H67-H69 VanDerWaalsContact C-N 3.3Å; H67-H69 PolarHBondContact O-N 3.28Å; H67-C70 CarbonylContact O-C 3.52Å; H67-C70 WeakPolarHBondContact O-CA 3Å; H67-C70 WeakPolarHBondContact O-CB 3.49Å; H67-C70 PolarHBondContact O-N 3.2Å; H67-Y71 AromaticContact CD2-CE1 3.89Å; H67-Y71 AromaticContact CE1-CD1 3.99Å; H67-Y71 AromaticContact CE1-CD2 3.87Å; H67-Y71 AromaticContact CE1-CE1 3.49Å; H67-Y71 VanDerWaalsContact CE1-CE1 3.49Å; H67-Y71 WeakPolarHBondContact CE1-CE1 2.99Å; H67-Y71 AromaticContact CE1-CE2 3.41Å; H67-Y71 VanDerWaalsContact CE1-CE2 3.41Å; H67-Y71 WeakPolarHBondContact CE1-CE2 3.22Å; H67-Y71 AromaticContact CE1-CZ 3.22Å; H67-Y71 AromaticContact NE2-CD1 3.71Å; H67-Y71 AromaticContact NE2-CE1 3.07Å; H67-Y71 WeakPolarHBondContact NE2-CE1 3.28Å; H67-Y71 AromaticContact NE2-CE2 3.9Å; H67-Y71 AromaticContact NE2-CZ 3.23Å; H67-Y71 PolarHBondContact O-N 2.9Å; H67-D111 IonicContact CD2-OD1 3.66Å; H67-D111 IonicContact CE1-OD1 3.71Å; H67-D111 IonicContact NE2-OD1 2.73Å; H67-D111 PolarHBondContact NE2-OD1 3.18Å; H67-L114 HydrophobicContact CB-CB 4.17Å; H67-L114 HydrophobicContact CB-CD1 4.1Å; H67-L114 HydrophobicContact CB-CD2 4.17Å; H67-L114 HydrophobicContact CB-CG 4.36Å
68	D	98.3	Very high	98.4	Very high	52 Å²	52	55 Å²	55	28%	0.278	28%	0.282	S	S	.	.	H	α-helix	trans	-57.6	-42.1	174.3	-71.7	-14.5	0	0	0	111.7	C64 C70 Y71 G72	C64-D68 PolarHBondContact O-N 3.12Å; D68-C70 VanDerWaalsContact C-N 3.26Å; D68-C70 PolarHBondContact O-N 3.28Å; D68-Y71 PolarHBondContact O-N 3.14Å; D68-G72 PolarHBondContact O-N 3.02Å
69	H	98.1	Very high	98.3	Very high	93 Å²	93	54 Å²	54	43%	0.431	28%	0.277	S	S	.	.	H	α-helix	trans	-67	-27.1	174.3	-75	74.6	0	0	0	113.1	W65 V66 H67 R73	W65-H69 AromaticContact CD2-CE1 3.75Å; W65-H69 AromaticContact CD2-ND1 3.79Å; W65-H69 AromaticContact CE2-CE1 3.2Å; W65-H69 AromaticContact CE2-ND1 3.75Å; W65-H69 AromaticContact CE2-NE2 3.96Å; W65-H69 AromaticContact CH2-CE1 4Å; W65-H69 AromaticContact CZ2-CE1 3.36Å; W65-H69 WeakPolarHBondContact CZ2-CE1 3.45Å; W65-H69 AromaticContact CZ2-NE2 3.63Å; W65-H69 AromaticContact NE1-CE1 3.46Å; W65-H69 PolarHBondContact NE1-CE1 2.03Å; W65-H69 PolarHBondContact O-N 3.15Å; W65-H69 PolarHBondContact O-ND1 3.33Å; V66-H69 PolarHBondContact O-N 3.48Å; H67-H69 VanDerWaalsContact C-N 3.3Å; H67-H69 PolarHBondContact O-N 3.28Å; H69-R73 WeakPolarHBondContact O-CG 3.43Å; H69-R73 PolarHBondContact O-NE 2.92Å
70	C	98.6	Very high	98.2	Very high	18 Å²	18	56.5 Å²	56.5	12%	0.122	29%	0.285	C	S	.	.	H	α-helix	trans	-70.6	-47.2	172.4	-155.8	0	0	0	0	109.9	V66 H67 D68 R73 L74 C110	V66-C70 PolarHBondContact O-N 3.15Å; V66-C70 VanDerWaalsContact O-N 3.07Å; H67-C70 CarbonylContact O-C 3.52Å; H67-C70 WeakPolarHBondContact O-CA 3Å; H67-C70 WeakPolarHBondContact O-CB 3.49Å; H67-C70 PolarHBondContact O-N 3.2Å; D68-C70 VanDerWaalsContact C-N 3.26Å; D68-C70 PolarHBondContact O-N 3.28Å; C70-R73 PolarHBondContact O-N 2.86Å; C70-L74 WeakPolarHBondContact O-CG 3.37Å; C70-L74 PolarHBondContact O-N 3.48Å; C70-C110 HydrophobicContact CB-CB 3.75Å; C70-C110 WeakPolarHBondContact CB-SG 3.01Å; C70-C110 VanDerWaalsContact SG-CA 3.55Å; C70-C110 WeakPolarHBondContact SG-CB 3.15Å; C70-C110 CovalentContact SG-SG 2.03Å; C70-C110 PolarHBondContact SG-SG 2.82Å
71	Y	97.9	Very high	98	Very high	20 Å²	20	57.2 Å²	57.2	8%	0.078	29%	0.288	C	S	.	.	H	α-helix	trans	-61.6	-47.5	178.3	-88.5	21.4	0	0	0	112.9	H67 D68 R73 L74 E75 I81 L107 C110 D111	H67-Y71 AromaticContact CD2-CE1 3.89Å; H67-Y71 AromaticContact CE1-CD1 3.99Å; H67-Y71 AromaticContact CE1-CD2 3.87Å; H67-Y71 AromaticContact CE1-CE1 3.49Å; H67-Y71 VanDerWaalsContact CE1-CE1 3.49Å; H67-Y71 WeakPolarHBondContact CE1-CE1 2.99Å; H67-Y71 AromaticContact CE1-CE2 3.41Å; H67-Y71 VanDerWaalsContact CE1-CE2 3.41Å; H67-Y71 WeakPolarHBondContact CE1-CE2 3.22Å; H67-Y71 AromaticContact CE1-CZ 3.22Å; H67-Y71 AromaticContact NE2-CD1 3.71Å; H67-Y71 AromaticContact NE2-CE1 3.07Å; H67-Y71 WeakPolarHBondContact NE2-CE1 3.28Å; H67-Y71 AromaticContact NE2-CE2 3.9Å; H67-Y71 AromaticContact NE2-CZ 3.23Å; H67-Y71 PolarHBondContact O-N 2.9Å; D68-Y71 PolarHBondContact O-N 3.14Å; Y71-R73 VanDerWaalsContact C-N 3.29Å; Y71-R73 PolarHBondContact O-N 3.39Å; Y71-L74 WeakPolarHBondContact O-CA 3.4Å; Y71-L74 WeakPolarHBondContact O-CB 3.49Å; Y71-L74 PolarHBondContact O-N 2.87Å; Y71-E75 PolarHBondContact O-N 3.08Å; Y71-I81 HydrophobicContact CD1-CB 4.48Å; Y71-I81 HydrophobicContact CD1-CG2 4.15Å; Y71-I81 HydrophobicContact CD2-CB 3.84Å; Y71-I81 HydrophobicContact CD2-CD1 3.35Å; Y71-I81 HydrophobicContact CD2-CG1 4.18Å; Y71-I81 HydrophobicContact CD2-CG2 4.21Å; Y71-I81 HydrophobicContact CE2-CB 3.96Å; Y71-I81 HydrophobicContact CE2-CD1 4Å; Y71-I81 HydrophobicContact CG-CB 4.06Å; Y71-I81 HydrophobicContact CG-CD1 3.95Å; Y71-I81 HydrophobicContact CG-CG2 3.89Å; Y71-L107 HydrophobicContact CD1-CD1 4Å; Y71-L107 HydrophobicContact CE1-CD1 3.27Å; Y71-C110 HydrophobicContact CD1-CB 4.08Å; Y71-C110 HydrophobicContact CE1-CB 4Å; Y71-D111 VanDerWaalsContact CE1-OD1 3.28Å; Y71-D111 WeakPolarHBondContact CE1-OD1 3.13Å; Y71-D111 PolarHBondContact OH-OD1 3.01Å; Y71-D111 PolarHBondContact OH-OD2 3.29Å
72	G	97.7	Very high	97.7	Very high	23 Å²	23	64.6 Å²	64.6	24%	0.237	32%	0.316	C	S	.	.	H	α-helix	trans	-56.7	-41.7	177.9	0	0	0	0	0	112.7	D68 L74 E75 E76	D68-G72 PolarHBondContact O-N 3.02Å; G72-L74 PolarHBondContact O-N 3.09Å; G72-E75 PolarHBondContact O-N 3.04Å; G72-E76 WeakPolarHBondContact O-CG 3.35Å; G72-E76 PolarHBondContact O-N 2.99Å
73	R	98.5	Very high	97.4	Very high	143 Å²	143	63.5 Å²	63.5	54%	0.54	32%	0.322	S	S	.	.	H	α-helix	trans	-66.4	-22.9	174.7	-72.1	-176.9	-67.3	172.7	-2.9	114.2	H69 C70 Y71 K77	H69-R73 WeakPolarHBondContact O-CG 3.43Å; H69-R73 PolarHBondContact O-NE 2.92Å; C70-R73 PolarHBondContact O-N 2.86Å; Y71-R73 VanDerWaalsContact C-N 3.29Å; Y71-R73 PolarHBondContact O-N 3.39Å; R73-K77 WeakPolarHBondContact O-CG 3.2Å
74	L	98.3	Very high	97.2	Very high	8 Å²	8	66 Å²	66	4%	0.042	33%	0.333	C	S	.	.	H	α-helix	trans	-83.6	-37.7	174	-64.9	-175.1	0	0	0	111.1	C70 Y71 G72 K77 G78 C79 I81 F102 Q106 L107	C70-L74 WeakPolarHBondContact O-CG 3.37Å; C70-L74 PolarHBondContact O-N 3.48Å; Y71-L74 WeakPolarHBondContact O-CA 3.4Å; Y71-L74 WeakPolarHBondContact O-CB 3.49Å; Y71-L74 PolarHBondContact O-N 2.87Å; G72-L74 PolarHBondContact O-N 3.09Å; L74-K77 CarbonylContact O-C 3.45Å; L74-K77 WeakPolarHBondContact O-CA 3.4Å; L74-K77 PolarHBondContact O-N 3.35Å; L74-G78 PolarHBondContact O-N 2.99Å; L74-C79 HydrophobicContact CB-CB 3.93Å; L74-C79 VanDerWaalsContact O-CB 3.29Å; L74-C79 WeakPolarHBondContact O-CB 3.33Å; L74-C79 PolarHBondContact O-N 3.37Å; L74-I81 HydrophobicContact CB-CG2 4.07Å; L74-F102 HydrophobicContact CD2-CE1 4.37Å; L74-Q106 HydrophobicContact CD1-CB 4.16Å; L74-Q106 HydrophobicContact CD2-CB 3.56Å; L74-Q106 HydrophobicContact CD2-CG 4.34Å; L74-L107 HydrophobicContact CD1-CB 4.2Å; L74-L107 HydrophobicContact CD1-CD1 4.19Å
75	E	97.8	Very high	97	Very high	100 Å²	100	67.2 Å²	67.2	47%	0.467	34%	0.342	S	S	.	.	H	α-helix	trans	-61.8	-42.5	172.9	-68.6	-179	135.1	0	0	111.4	Y71 G72 K77 G78 I81	Y71-E75 PolarHBondContact O-N 3.08Å; G72-E75 PolarHBondContact O-N 3.04Å; E75-K77 PolarHBondContact O-N 3.15Å; E75-K77 VanDerWaalsContact O-N 3.11Å; E75-G78 WeakPolarHBondContact O-CA 3.21Å; E75-G78 PolarHBondContact O-N 3.22Å; E75-I81 HydrophobicContact CG-CD1 4.09Å; E75-I81 HydrophobicContact CG-CG1 3.86Å; E75-I81 HydrophobicContact CG-CG2 3.93Å; E75-I81 WeakPolarHBondContact OE1-CD1 3.31Å; E75-I81 WeakPolarHBondContact OE1-CG1 3.1Å
76	E	98.4	Very high	96.9	Very high	163 Å²	163	64.5 Å²	64.5	76%	0.762	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-26.4	171.7	-74.9	170.3	-174.4	0	0	113.1	G72	G72-E76 WeakPolarHBondContact O-CG 3.35Å; G72-E76 PolarHBondContact O-N 2.99Å
77	K	98.1	Very high	96.9	Very high	135 Å²	135	68.3 Å²	68.3	59%	0.587	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	8.4	177.2	-64.6	178	-175	-176.1	0	113.1	R73 L74 E75 F102	R73-K77 WeakPolarHBondContact O-CG 3.2Å; L74-K77 CarbonylContact O-C 3.45Å; L74-K77 WeakPolarHBondContact O-CA 3.4Å; L74-K77 PolarHBondContact O-N 3.35Å; E75-K77 PolarHBondContact O-N 3.15Å; E75-K77 VanDerWaalsContact O-N 3.11Å; K77-F102 HydrophobicContact CB-CE1 4.21Å; K77-F102 HydrophobicContact CD-CE1 3.67Å; K77-F102 HydrophobicContact CD-CZ 3.58Å
78	G	97.9	Very high	96.8	Very high	69 Å²	69	69.2 Å²	69.2	71%	0.711	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.3	15.4	178.1	0	0	0	0	0	115	L74 E75	L74-G78 PolarHBondContact O-N 2.99Å; E75-G78 WeakPolarHBondContact O-CA 3.21Å; E75-G78 PolarHBondContact O-N 3.22Å
79	C	97.6	Very high	96.8	Very high	9 Å²	9	74.8 Å²	74.8	6%	0.061	36%	0.363	C	S	.	.			trans	-80.7	140.4	176.1	-60.2	0	0	0	0	111.8	L74 I81 C103	L74-C79 HydrophobicContact CB-CB 3.93Å; L74-C79 VanDerWaalsContact O-CB 3.29Å; L74-C79 WeakPolarHBondContact O-CB 3.33Å; L74-C79 PolarHBondContact O-N 3.37Å; C79-I81 PolarHBondContact O-N 2.98Å; C79-C103 WeakPolarHBondContact CA-SG 3.3Å; C79-C103 HydrophobicContact CB-CB 3.66Å; C79-C103 WeakPolarHBondContact CB-SG 3.31Å; C79-C103 WeakPolarHBondContact SG-CA 3.35Å; C79-C103 WeakPolarHBondContact SG-CB 3.25Å; C79-C103 CovalentContact SG-SG 2.04Å; C79-C103 PolarHBondContact SG-SG 3.37Å
80	N	96.1	Very high	96.7	Very high	80 Å²	80	74.1 Å²	74.1	43%	0.428	36%	0.359	S	S	.	.			trans	-90.1	87.1	175.8	-168.6	-35.9	0	0	0	112	R82 T83 Q84	N80-R82 PolarHBondContact O-N 2.97Å; N80-R82 PolarHBondContact OD1-N 3.25Å; N80-T83 PolarHBondContact ND2-OG1 3.31Å; N80-T83 PolarHBondContact OD1-N 3.27Å; N80-T83 PolarHBondContact OD1-OG1 3.03Å; N80-T83 VanDerWaalsContact OD1-OG1 3.06Å; N80-Q84 HydrophobicContact CB-CB 4.32Å; N80-Q84 WeakPolarHBondContact O-CB 3.48Å; N80-Q84 PolarHBondContact O-N 3.44Å
81	I	94.6	Very high	96.5	Very high	15 Å²	15	75.9 Å²	75.9	8%	0.077	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-20.8	-175.4	56.2	151.6	0	0	0	115.4	Y71 L74 E75 C79 L107	Y71-I81 HydrophobicContact CD1-CB 4.48Å; Y71-I81 HydrophobicContact CD1-CG2 4.15Å; Y71-I81 HydrophobicContact CD2-CB 3.84Å; Y71-I81 HydrophobicContact CD2-CD1 3.35Å; Y71-I81 HydrophobicContact CD2-CG1 4.18Å; Y71-I81 HydrophobicContact CD2-CG2 4.21Å; Y71-I81 HydrophobicContact CE2-CB 3.96Å; Y71-I81 HydrophobicContact CE2-CD1 4Å; Y71-I81 HydrophobicContact CG-CB 4.06Å; Y71-I81 HydrophobicContact CG-CD1 3.95Å; Y71-I81 HydrophobicContact CG-CG2 3.89Å; L74-I81 HydrophobicContact CB-CG2 4.07Å; E75-I81 HydrophobicContact CG-CD1 4.09Å; E75-I81 HydrophobicContact CG-CG1 3.86Å; E75-I81 HydrophobicContact CG-CG2 3.93Å; E75-I81 WeakPolarHBondContact OE1-CD1 3.31Å; E75-I81 WeakPolarHBondContact OE1-CG1 3.1Å; C79-I81 PolarHBondContact O-N 2.98Å; I81-L107 HydrophobicContact CB-CD1 4.16Å; I81-L107 HydrophobicContact CG2-CD1 4.09Å
82	R	91.5	Very high	96.1	Very high	155 Å²	155	87.5 Å²	87.5	59%	0.585	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-44.4	-175.2	-65.7	-175.7	-177.1	-179.1	-0.2	112.3	G21 L22 N80	G21-R82 PolarHBondContact N-O 3.41Å; L22-R82 PolarHBondContact N-O 3.47Å; N80-R82 PolarHBondContact O-N 2.97Å; N80-R82 PolarHBondContact OD1-N 3.25Å
83	T	93.6	Very high	95.4	Very high	90 Å²	90	87.7 Å²	87.7	55%	0.552	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.3	-19.2	-172.4	68.3	0	0	0	0	113.5	G20 N80 S85	G20-T83 WeakPolarHBondContact CA-O 3.45Å; N80-T83 PolarHBondContact ND2-OG1 3.31Å; N80-T83 PolarHBondContact OD1-N 3.27Å; N80-T83 PolarHBondContact OD1-OG1 3.03Å; N80-T83 VanDerWaalsContact OD1-OG1 3.06Å; T83-S85 PolarHBondContact O-N 3.23Å; T83-S85 VanDerWaalsContact O-N 3.08Å
84	Q	93.9	Very high	95.2	Very high	53 Å²	53	85.8 Å²	85.8	25%	0.248	42%	0.421	C	S	.	.			trans	-65.9	110.2	178.6	-174	71.1	69.2	0	0	110.3	G21 N80 H104 L107	G21-Q84 WeakPolarHBondContact CA-O 3.43Å; G21-Q84 PolarHBondContact N-O 2.83Å; G21-Q84 VanDerWaalsContact N-O 3.1Å; N80-Q84 HydrophobicContact CB-CB 4.32Å; N80-Q84 WeakPolarHBondContact O-CB 3.48Å; N80-Q84 PolarHBondContact O-N 3.44Å; Q84-H104 PolarHBondContact NE2-CE1 3.38Å; Q84-H104 PolarHBondContact NE2-NE2 3.31Å; Q84-L107 HydrophobicContact CB-CD2 3.88Å; Q84-L107 HydrophobicContact CG-CD2 4.23Å; Q84-L107 VanDerWaalsContact O-CD2 3.23Å; Q84-L107 WeakPolarHBondContact O-CD2 3.38Å
85	S	95.3	Very high	95.2	Very high	32 Å²	32	85.4 Å²	85.4	22%	0.224	42%	0.419	C	S	.	.			trans	-75	156.9	172.1	62.4	0	0	0	0	111.5	D24 T83 H104	D24-S85 WeakPolarHBondContact OD2-CA 3.46Å; D24-S85 WeakPolarHBondContact OD2-CB 3.41Å; T83-S85 PolarHBondContact O-N 3.23Å; T83-S85 VanDerWaalsContact O-N 3.08Å; S85-H104 PolarHBondContact O-CE1 3.39Å; S85-H104 PolarHBondContact O-ND1 3.42Å
86	Y	96.8	Very high	95.2	Very high	9 Å²	9	84 Å²	84	4%	0.035	42%	0.417	C	S	.	.			trans	-142.1	158.7	174.2	56.9	-101.2	0	0	0	111.4	D24 L25 M28 Y88 H104 L107 C108 D111	D24-Y86 HydrophobicContact CB-CD1 4.3Å; D24-Y86 HydrophobicContact CB-CD2 4.22Å; D24-Y86 HydrophobicContact CB-CE1 3.76Å; D24-Y86 HydrophobicContact CB-CE2 3.65Å; D24-Y86 PolarHBondContact OD2-N 2.88Å; L25-Y86 PolarHBondContact N-OH 2.77Å; M28-Y86 HydrophobicContact CE-CE2 3.61Å; Y86-Y88 HydrophobicContact CD2-CD1 4.1Å; Y86-Y88 AromaticContact CE2-CD1 3.74Å; Y86-Y88 HydrophobicContact CE2-CD1 3.74Å; Y86-Y88 HydrophobicContact CE2-CE1 4.33Å; Y86-Y88 HydrophobicContact CE2-CG 4.5Å; Y86-H104 WeakPolarHBondContact CB-O 3.49Å; Y86-L107 HydrophobicContact CD1-CB 4.13Å; Y86-L107 HydrophobicContact CD1-CD2 3.85Å; Y86-L107 HydrophobicContact CD1-CG 3.76Å; Y86-L107 HydrophobicContact CE1-CD2 4.19Å; Y86-L107 HydrophobicContact CE1-CG 3.86Å; Y86-C108 HydrophobicContact CD1-CB 4.37Å; Y86-C108 HydrophobicContact CD2-CB 3.41Å; Y86-C108 VanDerWaalsContact CD2-CB 3.41Å; Y86-C108 HydrophobicContact CE2-CB 3.83Å; Y86-C108 HydrophobicContact CG-CB 3.72Å; Y86-D111 WeakPolarHBondContact CE1-OD2 3.38Å; Y86-D111 VanDerWaalsContact OH-CB 3.3Å; Y86-D111 WeakPolarHBondContact OH-CB 3.41Å; Y86-D111 PolarHBondContact OH-OD2 3.43Å
87	K	96.8	Very high	95.1	Very high	152 Å²	152	77.3 Å²	77.3	66%	0.661	39%	0.388	S	S	*	.			trans	-100	134.6	179.6	-64.6	-177.4	-177.7	179.5	0	110.8	E98	K87-E98 HydrophobicContact CB-CB 3.89Å; K87-E98 HydrophobicContact CB-CG 4.06Å; K87-E98 VanDerWaalsContact CB-OE2 3.28Å; K87-E98 WeakPolarHBondContact CB-OE2 3.34Å; K87-E98 WeakPolarHBondContact CD-OE2 3.43Å; K87-E98 PolarHBondContact O-N 3.03Å
88	Y	97.6	Very high	95.1	Very high	35 Å²	35	73.3 Å²	73.3	14%	0.137	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	155.5	173.7	75.3	-83.4	0	0	0	110.9	D24 S27 M28 K31 Y86 F90 V95 T96	D24-Y88 HydrophobicContact CB-CE1 4.49Å; S27-Y88 WeakPolarHBondContact CB-OH 3.48Å; S27-Y88 PolarHBondContact OG-OH 2.91Å; S27-Y88 VanDerWaalsContact OG-OH 3.09Å; M28-Y88 HydrophobicContact CB-CE2 4.41Å; M28-Y88 HydrophobicContact CE-CD1 4Å; M28-Y88 HydrophobicContact CE-CD2 4.14Å; M28-Y88 HydrophobicContact CE-CE1 4.27Å; M28-Y88 HydrophobicContact CE-CE2 4.4Å; M28-Y88 HydrophobicContact CE-CG 3.94Å; M28-Y88 HydrophobicContact CG-CE2 4.23Å; M28-Y88 PolarHBondContact N-OH 3.3Å; K31-Y88 HydrophobicContact CD-CE2 4.41Å; K31-Y88 PolarHBondContact NZ-OH 3.13Å; K31-Y88 VanDerWaalsContact NZ-OH 3.08Å; Y86-Y88 HydrophobicContact CD2-CD1 4.1Å; Y86-Y88 AromaticContact CE2-CD1 3.74Å; Y86-Y88 HydrophobicContact CE2-CD1 3.74Å; Y86-Y88 HydrophobicContact CE2-CE1 4.33Å; Y86-Y88 HydrophobicContact CE2-CG 4.5Å; Y88-F90 HydrophobicContact CE2-CB 4.3Å; Y88-V95 HydrophobicContact CD2-CG1 4Å; Y88-V95 HydrophobicContact CG-CG1 4.49Å; Y88-T96 CarbonylContact C-O 3.54Å; Y88-T96 VanDerWaalsContact CA-O 3.24Å; Y88-T96 WeakPolarHBondContact CA-O 3.44Å
89	R	97.2	Very high	95.1	Very high	169 Å²	169	76.1 Å²	76.1	64%	0.638	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.8	145	170.2	-60.9	-176	-172.2	-179.3	2.4	109.8	V95 T96 E98	R89-V95 WeakPolarHBondContact O-CA 3.47Å; R89-T96 PolarHBondContact N-O 2.04Å; R89-T96 PolarHBondContact O-N 3.26Å; R89-E98 HydrophobicContact CG-CG 4.4Å; R89-E98 IonicContact CZ-OE1 3.33Å; R89-E98 IonicContact NE-OE1 2.72Å; R89-E98 PolarHBondContact NE-OE1 3.14Å; R89-E98 IonicContact NH2-OE1 3.06Å; R89-E98 PolarHBondContact NH2-OE1 3.05Å
90	F	96.3	Very high	95	Very high	78 Å²	78	78 Å²	78	34%	0.342	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	114.7	170.1	-179.5	-100.3	0	0	0	109.1	K31 V32 Y88 L94 V95	K31-F90 HydrophobicContact CB-CD1 4.18Å; K31-F90 HydrophobicContact CB-CD2 4.27Å; K31-F90 HydrophobicContact CB-CE1 4.18Å; K31-F90 HydrophobicContact CB-CE2 4.27Å; K31-F90 HydrophobicContact CB-CG 4.21Å; K31-F90 HydrophobicContact CB-CZ 4.21Å; K31-F90 HydrophobicContact CD-CB 4.05Å; K31-F90 HydrophobicContact CD-CD1 4.25Å; K31-F90 HydrophobicContact CD-CG 4.13Å; K31-F90 HydrophobicContact CG-CD1 4.44Å; K31-F90 WeakPolarHBondContact O-CZ 3.34Å; V32-F90 HydrophobicContact CG2-CD2 4.17Å; V32-F90 HydrophobicContact CG2-CE2 3.77Å; Y88-F90 HydrophobicContact CE2-CB 4.3Å; F90-L94 VanDerWaalsContact CA-O 3.31Å; F90-L94 WeakPolarHBondContact CA-O 3.33Å; F90-V95 HydrophobicContact CD2-CG2 3.89Å
91	A	94.3	Very high	95.1	Very high	55 Å²	55	78.1 Å²	78.1	46%	0.455	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	133.6	178.5	0	0	0	0	0	109.4	G93 L94	A91-G93 PolarHBondContact O-N 3.36Å; A91-G93 VanDerWaalsContact O-N 3.15Å; A91-L94 PolarHBondContact N-O 2.99Å; A91-L94 WeakPolarHBondContact O-CA 3.39Å; A91-L94 WeakPolarHBondContact O-CB 3.47Å; A91-L94 PolarHBondContact O-N 2.86Å
92	W	90	Very high	95.2	Very high	264 Å²	264	82.2 Å²	82.2	100%	1	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	38.7	176.6	-49.6	-25.2	0	0	0	113.7	L94	W92-L94 PolarHBondContact O-N 2.73Å
93	G	82.7	Confident	95.5	Very high	27 Å²	27	76 Å²	76	28%	0.278	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.7	3.2	-178.2	0	0	0	0	0	115	A91 Y116	A91-G93 PolarHBondContact O-N 3.36Å; A91-G93 VanDerWaalsContact O-N 3.15Å; G93-Y116 PolarHBondContact O-OH 3.05Å
94	L	94.4	Very high	95.7	Very high	104 Å²	104	74.3 Å²	74.3	55%	0.545	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	137.6	178.7	-165	73.6	0	0	0	111.6	F90 A91 W92 Y116	F90-L94 VanDerWaalsContact CA-O 3.31Å; F90-L94 WeakPolarHBondContact CA-O 3.33Å; A91-L94 PolarHBondContact N-O 2.99Å; A91-L94 WeakPolarHBondContact O-CA 3.39Å; A91-L94 WeakPolarHBondContact O-CB 3.47Å; A91-L94 PolarHBondContact O-N 2.86Å; W92-L94 PolarHBondContact O-N 2.73Å; L94-Y116 VanDerWaalsContact CA-OH 3.23Å; L94-Y116 WeakPolarHBondContact CA-OH 3.29Å
95	V	97.8	Very high	95.9	Very high	0 Å²	0	73.8 Å²	73.8	0%	0	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	121.4	174.5	174.2	0	0	0	0	108.1	M28 V32 Y88 R89 F90 R112 Y116	M28-V95 HydrophobicContact CE-CG1 3.89Å; M28-V95 HydrophobicContact CG-CG1 4.39Å; M28-V95 HydrophobicContact CG-CG2 3.99Å; M28-V95 HydrophobicContact SD-CG1 3.83Å; M28-V95 HydrophobicContact SD-CG2 4.25Å; V32-V95 HydrophobicContact CG2-CG2 3.62Å; Y88-V95 HydrophobicContact CD2-CG1 4Å; Y88-V95 HydrophobicContact CG-CG1 4.49Å; R89-V95 WeakPolarHBondContact O-CA 3.47Å; F90-V95 HydrophobicContact CD2-CG2 3.89Å; V95-R112 HydrophobicContact CB-CG 3.94Å; V95-R112 HydrophobicContact CG1-CB 4.14Å; V95-R112 HydrophobicContact CG1-CG 3.88Å; V95-R112 WeakPolarHBondContact O-CD 3.23Å; V95-R112 PolarHBondContact O-NH1 3.24Å; V95-Y116 PolarHBondContact N-OH 2.91Å
96	T	97.8	Very high	96.1	Very high	70 Å²	70	76 Å²	76	43%	0.429	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	113.8	175.1	-57.7	0	0	0	0	108.8	Y88 R89	Y88-T96 CarbonylContact C-O 3.54Å; Y88-T96 VanDerWaalsContact CA-O 3.24Å; Y88-T96 WeakPolarHBondContact CA-O 3.44Å; R89-T96 PolarHBondContact N-O 2.04Å; R89-T96 PolarHBondContact O-N 3.26Å
97	C	97.9	Very high	96.2	Very high	22 Å²	22	75.7 Å²	75.7	15%	0.149	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	128.7	172	-63.1	0	0	0	0	109.5	C108	C97-C108 WeakPolarHBondContact CA-SG 3.45Å; C97-C108 HydrophobicContact CB-CB 3.74Å; C97-C108 WeakPolarHBondContact CB-SG 3.41Å; C97-C108 WeakPolarHBondContact SG-CB 2.96Å; C97-C108 PolarHBondContact SG-O 3.41Å; C97-C108 VanDerWaalsContact SG-O 3.41Å; C97-C108 CovalentContact SG-SG 2.04Å; C97-C108 PolarHBondContact SG-SG 3.36Å
98	E	97.4	Very high	96.2	Very high	52 Å²	52	68.5 Å²	68.5	24%	0.243	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-77.2	151.2	178.8	-61.7	-162.3	147.7	0	0	111.1	K87 R89	K87-E98 HydrophobicContact CB-CB 3.89Å; K87-E98 HydrophobicContact CB-CG 4.06Å; K87-E98 VanDerWaalsContact CB-OE2 3.28Å; K87-E98 WeakPolarHBondContact CB-OE2 3.34Å; K87-E98 WeakPolarHBondContact CD-OE2 3.43Å; K87-E98 PolarHBondContact O-N 3.03Å; R89-E98 HydrophobicContact CG-CG 4.4Å; R89-E98 IonicContact CZ-OE1 3.33Å; R89-E98 IonicContact NE-OE1 2.72Å; R89-E98 PolarHBondContact NE-OE1 3.14Å; R89-E98 IonicContact NH2-OE1 3.06Å; R89-E98 PolarHBondContact NH2-OE1 3.05Å
99	P	97.5	Very high	96.3	Very high	128 Å²	128	67.7 Å²	67.7	83%	0.831	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-58.5	150	173.2	-22.3	33.4	0	0	0	112.3
100	G	96.2	Very high	96.4	Very high	47 Å²	47	59.9 Å²	59.9	49%	0.485	33%	0.333	S	S	.	.			trans	172.4	-168.3	-179.7	0	0	0	0	0	112.2	V105	G100-V105 WeakPolarHBondContact O-CG2 3.28Å
101	P	97.5	Very high	96.5	Very high	84 Å²	84	56.2 Å²	56.2	55%	0.545	32%	0.316	S	S	.	.	S	Bend	trans	-61.8	154.5	177	-14.9	27	0	0	0	111.5	C103 H104 V105	P101-C103 VanDerWaalsContact C-N 3.34Å; P101-C103 PolarHBondContact O-N 2.94Å; P101-C103 VanDerWaalsContact O-N 3.16Å; P101-H104 PolarHBondContact O-N 3.13Å; P101-V105 PolarHBondContact O-N 3.24Å
102	F	97.9	Very high	96.7	Very high	101 Å²	101	57.8 Å²	57.8	44%	0.443	31%	0.311	S	S	.	.	H	α-helix	trans	-44.7	-53.1	-173	174.5	-96.7	0	0	0	113.6	L74 K77 H104 V105 Q106	L74-F102 HydrophobicContact CD2-CE1 4.37Å; K77-F102 HydrophobicContact CB-CE1 4.21Å; K77-F102 HydrophobicContact CD-CE1 3.67Å; K77-F102 HydrophobicContact CD-CZ 3.58Å; F102-H104 PolarHBondContact O-N 2.91Å; F102-V105 PolarHBondContact O-N 2.53Å; F102-Q106 HydrophobicContact CD2-CG 3.94Å; F102-Q106 HydrophobicContact CE1-CG 4.23Å; F102-Q106 HydrophobicContact CE2-CG 3.59Å; F102-Q106 HydrophobicContact CG-CG 4.4Å; F102-Q106 HydrophobicContact CZ-CG 3.74Å; F102-Q106 WeakPolarHBondContact O-CB 3.34Å; F102-Q106 WeakPolarHBondContact O-CG 3.04Å; F102-Q106 PolarHBondContact O-N 2.99Å
103	C	97.8	Very high	97.1	Very high	25 Å²	25	51.7 Å²	51.7	17%	0.169	29%	0.291	C	S	.	.	H	α-helix	trans	-62	-40.5	-176.6	-68.6	0	0	0	0	113.1	C79 P101 L107	C79-C103 WeakPolarHBondContact CA-SG 3.3Å; C79-C103 HydrophobicContact CB-CB 3.66Å; C79-C103 WeakPolarHBondContact CB-SG 3.31Å; C79-C103 WeakPolarHBondContact SG-CA 3.35Å; C79-C103 WeakPolarHBondContact SG-CB 3.25Å; C79-C103 CovalentContact SG-SG 2.04Å; C79-C103 PolarHBondContact SG-SG 3.37Å; P101-C103 VanDerWaalsContact C-N 3.34Å; P101-C103 PolarHBondContact O-N 2.94Å; P101-C103 VanDerWaalsContact O-N 3.16Å; C103-L107 WeakPolarHBondContact O-CB 3.07Å; C103-L107 PolarHBondContact O-N 2.85Å
104	H	97.6	Very high	97.9	Very high	54 Å²	54	50.9 Å²	50.9	25%	0.25	28%	0.28	C	S	.	.	H	α-helix	trans	-65.1	-46	-179.5	-62.1	-113.5	0	0	0	111.4	Q84 S85 Y86 P101 F102 C108	Q84-H104 PolarHBondContact NE2-CE1 3.38Å; Q84-H104 PolarHBondContact NE2-NE2 3.31Å; S85-H104 PolarHBondContact O-CE1 3.39Å; S85-H104 PolarHBondContact O-ND1 3.42Å; Y86-H104 WeakPolarHBondContact CB-O 3.49Å; P101-H104 PolarHBondContact O-N 3.13Å; F102-H104 PolarHBondContact O-N 2.91Å; H104-C108 WeakPolarHBondContact O-CB 3.3Å; H104-C108 PolarHBondContact O-N 2.92Å
105	V	98	Very high	98.1	Very high	41 Å²	41	46 Å²	46	25%	0.248	26%	0.255	C	S	.	.	H	α-helix	trans	-67.6	-44.1	-177.2	178.2	0	0	0	0	110.6	G100 P101 F102 A109	G100-V105 WeakPolarHBondContact O-CG2 3.28Å; P101-V105 PolarHBondContact O-N 3.24Å; F102-V105 PolarHBondContact O-N 2.53Å; V105-A109 WeakPolarHBondContact O-CB 3.15Å; V105-A109 PolarHBondContact O-N 3.47Å
106	Q	98.4	Very high	98.1	Very high	80 Å²	80	48 Å²	48	37%	0.374	26%	0.263	S	S	.	.	H	α-helix	trans	-72.6	-37.2	-178.9	-64.1	-58.8	-43.7	0	0	112.5	L74 F102 A109 C110	L74-Q106 HydrophobicContact CD1-CB 4.16Å; L74-Q106 HydrophobicContact CD2-CB 3.56Å; L74-Q106 HydrophobicContact CD2-CG 4.34Å; F102-Q106 HydrophobicContact CD2-CG 3.94Å; F102-Q106 HydrophobicContact CE1-CG 4.23Å; F102-Q106 HydrophobicContact CE2-CG 3.59Å; F102-Q106 HydrophobicContact CG-CG 4.4Å; F102-Q106 HydrophobicContact CZ-CG 3.74Å; F102-Q106 WeakPolarHBondContact O-CB 3.34Å; F102-Q106 WeakPolarHBondContact O-CG 3.04Å; F102-Q106 PolarHBondContact O-N 2.99Å; Q106-A109 WeakPolarHBondContact O-CB 3.49Å; Q106-A109 PolarHBondContact O-N 3.03Å; Q106-A109 VanDerWaalsContact O-N 3.14Å; Q106-C110 PolarHBondContact O-N 3.08Å; Q106-C110 PolarHBondContact O-SG 3.08Å
107	L	98.4	Very high	98.2	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.01	25%	0.254	C	S	.	.	H	α-helix	trans	-61.6	-49	174.9	-174.3	59.8	0	0	0	110.7	Y71 L74 I81 Q84 Y86 C103 A109 C110 D111	Y71-L107 HydrophobicContact CD1-CD1 4Å; Y71-L107 HydrophobicContact CE1-CD1 3.27Å; L74-L107 HydrophobicContact CD1-CB 4.2Å; L74-L107 HydrophobicContact CD1-CD1 4.19Å; I81-L107 HydrophobicContact CB-CD1 4.16Å; I81-L107 HydrophobicContact CG2-CD1 4.09Å; Q84-L107 HydrophobicContact CB-CD2 3.88Å; Q84-L107 HydrophobicContact CG-CD2 4.23Å; Q84-L107 VanDerWaalsContact O-CD2 3.23Å; Q84-L107 WeakPolarHBondContact O-CD2 3.38Å; Y86-L107 HydrophobicContact CD1-CB 4.13Å; Y86-L107 HydrophobicContact CD1-CD2 3.85Å; Y86-L107 HydrophobicContact CD1-CG 3.76Å; Y86-L107 HydrophobicContact CE1-CD2 4.19Å; Y86-L107 HydrophobicContact CE1-CG 3.86Å; C103-L107 WeakPolarHBondContact O-CB 3.07Å; C103-L107 PolarHBondContact O-N 2.85Å; L107-A109 PolarHBondContact O-N 2.97Å; L107-C110 WeakPolarHBondContact O-CB 3.39Å; L107-C110 PolarHBondContact O-N 3.32Å; L107-C110 VanDerWaalsContact O-N 3.13Å; L107-D111 PolarHBondContact O-N 3.09Å
108	C	98.6	Very high	98.2	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.007	25%	0.247	C	C	.	.	H	α-helix	trans	-56.5	-39.3	172.4	-179.4	0	0	0	0	112.4	Y86 C97 H104 D111 R112	Y86-C108 HydrophobicContact CD1-CB 4.37Å; Y86-C108 HydrophobicContact CD2-CB 3.41Å; Y86-C108 VanDerWaalsContact CD2-CB 3.41Å; Y86-C108 HydrophobicContact CE2-CB 3.83Å; Y86-C108 HydrophobicContact CG-CB 3.72Å; C97-C108 WeakPolarHBondContact CA-SG 3.45Å; C97-C108 HydrophobicContact CB-CB 3.74Å; C97-C108 WeakPolarHBondContact CB-SG 3.41Å; C97-C108 WeakPolarHBondContact SG-CB 2.96Å; C97-C108 PolarHBondContact SG-O 3.41Å; C97-C108 VanDerWaalsContact SG-O 3.41Å; C97-C108 CovalentContact SG-SG 2.04Å; C97-C108 PolarHBondContact SG-SG 3.36Å; H104-C108 WeakPolarHBondContact O-CB 3.3Å; H104-C108 PolarHBondContact O-N 2.92Å; C108-D111 PolarHBondContact O-N 3.36Å; C108-R112 VanDerWaalsContact O-CB 3.22Å; C108-R112 WeakPolarHBondContact O-CB 3.4Å; C108-R112 PolarHBondContact O-N 3.11Å
109	A	98.6	Very high	98.3	Very high	18 Å²	18	47.3 Å²	47.3	15%	0.149	25%	0.254	C	S	.	.	H	α-helix	trans	-67.9	-36.3	179.1	0	0	0	0	0	112.9	V105 Q106 L107 K113	V105-A109 WeakPolarHBondContact O-CB 3.15Å; V105-A109 PolarHBondContact O-N 3.47Å; Q106-A109 WeakPolarHBondContact O-CB 3.49Å; Q106-A109 PolarHBondContact O-N 3.03Å; Q106-A109 VanDerWaalsContact O-N 3.14Å; L107-A109 PolarHBondContact O-N 2.97Å; A109-K113 WeakPolarHBondContact O-CG 3.36Å; A109-K113 PolarHBondContact O-N 3.29Å
110	C	98.7	Very high	98.3	Very high	5 Å²	5	49.9 Å²	49.9	3%	0.034	25%	0.248	C	C	.	.	H	α-helix	trans	-61.2	-49.8	170.9	-67.8	0	0	0	0	110.4	C70 Y71 Q106 L107 R112 K113 L114	C70-C110 HydrophobicContact CB-CB 3.75Å; C70-C110 WeakPolarHBondContact CB-SG 3.01Å; C70-C110 VanDerWaalsContact SG-CA 3.55Å; C70-C110 WeakPolarHBondContact SG-CB 3.15Å; C70-C110 CovalentContact SG-SG 2.03Å; C70-C110 PolarHBondContact SG-SG 2.82Å; Y71-C110 HydrophobicContact CD1-CB 4.08Å; Y71-C110 HydrophobicContact CE1-CB 4Å; Q106-C110 PolarHBondContact O-N 3.08Å; Q106-C110 PolarHBondContact O-SG 3.08Å; L107-C110 WeakPolarHBondContact O-CB 3.39Å; L107-C110 PolarHBondContact O-N 3.32Å; L107-C110 VanDerWaalsContact O-N 3.13Å; C110-R112 PolarHBondContact O-N 3.05Å; C110-K113 WeakPolarHBondContact O-CB 3.34Å; C110-K113 PolarHBondContact O-N 2.04Å; C110-K113 VanDerWaalsContact O-N 3.15Å; C110-L114 PolarHBondContact O-N 2.72Å
111	D	98.7	Very high	98.4	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-66.5	-41.2	-176.6	-70	-0.4	0	0	0	111.8	L25 M28 H67 Y71 Y86 L107 C108 K113 L114 V115	L25-D111 WeakPolarHBondContact CB-OD2 3.36Å; L25-D111 HydrophobicContact CD1-CB 3.8Å; M28-D111 HydrophobicContact CE-CB 4.14Å; M28-D111 HydrophobicContact SD-CB 4.16Å; H67-D111 IonicContact CD2-OD1 3.66Å; H67-D111 IonicContact CE1-OD1 3.71Å; H67-D111 IonicContact NE2-OD1 2.73Å; H67-D111 PolarHBondContact NE2-OD1 3.18Å; Y71-D111 VanDerWaalsContact CE1-OD1 3.28Å; Y71-D111 WeakPolarHBondContact CE1-OD1 3.13Å; Y71-D111 PolarHBondContact OH-OD1 3.01Å; Y71-D111 PolarHBondContact OH-OD2 3.29Å; Y86-D111 WeakPolarHBondContact CE1-OD2 3.38Å; Y86-D111 VanDerWaalsContact OH-CB 3.3Å; Y86-D111 WeakPolarHBondContact OH-CB 3.41Å; Y86-D111 PolarHBondContact OH-OD2 3.43Å; L107-D111 PolarHBondContact O-N 3.09Å; C108-D111 PolarHBondContact O-N 3.36Å; D111-K113 VanDerWaalsContact C-N 3.28Å; D111-K113 PolarHBondContact O-N 2.91Å; D111-L114 WeakPolarHBondContact O-CB 3.24Å; D111-L114 PolarHBondContact O-N 2.92Å; D111-L114 VanDerWaalsContact O-N 3.14Å; D111-V115 WeakPolarHBondContact O-CG1 3.4Å; D111-V115 PolarHBondContact O-N 2.77Å
112	R	98.7	Very high	98.5	Very high	89 Å²	89	47.9 Å²	47.9	34%	0.336	22%	0.221	S	C	.	.	H	α-helix	trans	-57.4	-41.5	173	-177.7	175	69.9	171.4	0.3	112.2	M28 V95 C108 C110 V115 Y116	M28-R112 HydrophobicContact SD-CB 4.29Å; V95-R112 HydrophobicContact CB-CG 3.94Å; V95-R112 HydrophobicContact CG1-CB 4.14Å; V95-R112 HydrophobicContact CG1-CG 3.88Å; V95-R112 WeakPolarHBondContact O-CD 3.23Å; V95-R112 PolarHBondContact O-NH1 3.24Å; C108-R112 VanDerWaalsContact O-CB 3.22Å; C108-R112 WeakPolarHBondContact O-CB 3.4Å; C108-R112 PolarHBondContact O-N 3.11Å; C110-R112 PolarHBondContact O-N 3.05Å; R112-V115 VanDerWaalsContact O-CG2 3.28Å; R112-V115 WeakPolarHBondContact O-CG2 3.5Å; R112-Y116 HydrophobicContact CG-CD2 3.8Å; R112-Y116 HydrophobicContact CG-CE2 3.47Å; R112-Y116 VanDerWaalsContact CG-CE2 3.47Å; R112-Y116 WeakPolarHBondContact O-CD2 3.3Å; R112-Y116 PolarHBondContact O-N 2.94Å
113	K	98.8	Very high	98.5	Very high	136 Å²	136	53.6 Å²	53.6	59%	0.591	24%	0.239	S	C	*	.	H	α-helix	trans	-66.6	-43	177	-75.5	173.6	-179.3	178	0	111	A109 C110 D111 C117	A109-K113 WeakPolarHBondContact O-CG 3.36Å; A109-K113 PolarHBondContact O-N 3.29Å; C110-K113 WeakPolarHBondContact O-CB 3.34Å; C110-K113 PolarHBondContact O-N 2.04Å; C110-K113 VanDerWaalsContact O-N 3.15Å; D111-K113 VanDerWaalsContact C-N 3.28Å; D111-K113 PolarHBondContact O-N 2.91Å; K113-C117 WeakPolarHBondContact O-CB 3.45Å; K113-C117 PolarHBondContact O-N 2.95Å
114	L	98.8	Very high	98.5	Very high	10 Å²	10	54 Å²	54	5%	0.052	24%	0.243	C	C	.	.	H	α-helix	trans	-56.7	-57.6	175.5	171.5	60.9	0	0	0	110.6	L25 C63 H67 C110 D111 Y116 C117 L118	L25-L114 HydrophobicContact CD1-CD2 3.82Å; L25-L114 HydrophobicContact CD2-CD2 4.17Å; C63-L114 HydrophobicContact CB-CD1 3.87Å; H67-L114 HydrophobicContact CB-CB 4.17Å; H67-L114 HydrophobicContact CB-CD1 4.1Å; H67-L114 HydrophobicContact CB-CD2 4.17Å; H67-L114 HydrophobicContact CB-CG 4.36Å; C110-L114 PolarHBondContact O-N 2.72Å; D111-L114 WeakPolarHBondContact O-CB 3.24Å; D111-L114 PolarHBondContact O-N 2.92Å; D111-L114 VanDerWaalsContact O-N 3.14Å; L114-Y116 VanDerWaalsContact C-N 3.27Å; L114-Y116 PolarHBondContact O-N 2.89Å; L114-C117 CarbonylContact O-C 3.54Å; L114-C117 WeakPolarHBondContact O-CA 3.04Å; L114-C117 WeakPolarHBondContact O-CB 3.42Å; L114-C117 PolarHBondContact O-N 3.16Å; L114-L118 HydrophobicContact CD1-CD1 3.92Å; L114-L118 HydrophobicContact CD1-CD2 4.01Å; L114-L118 HydrophobicContact CD1-CG 3.8Å; L114-L118 HydrophobicContact CG-CD1 3.96Å; L114-L118 HydrophobicContact CG-CG 4.24Å; L114-L118 WeakPolarHBondContact O-CG 3.03Å; L114-L118 PolarHBondContact O-N 2.91Å
115	V	98.6	Very high	98.6	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-61.3	-33.6	-174.1	-58.8	0	0	0	0	113.5	L25 M28 I29 V32 D111 R112 K119	L25-V115 HydrophobicContact CD1-CG1 4.29Å; M28-V115 HydrophobicContact CB-CG1 4.06Å; M28-V115 HydrophobicContact CG-CB 4.38Å; M28-V115 HydrophobicContact CG-CG1 3.81Å; M28-V115 HydrophobicContact CG-CG2 3.9Å; M28-V115 HydrophobicContact SD-CB 4.45Å; M28-V115 HydrophobicContact SD-CG1 3.93Å; M28-V115 HydrophobicContact SD-CG2 3.66Å; I29-V115 HydrophobicContact CB-CG1 4.34Å; I29-V115 HydrophobicContact CG1-CG1 3.64Å; V32-V115 HydrophobicContact CB-CB 3.98Å; V32-V115 HydrophobicContact CB-CG2 4.14Å; V32-V115 HydrophobicContact CG1-CB 3.96Å; V32-V115 HydrophobicContact CG1-CG2 4.02Å; V32-V115 WeakPolarHBondContact CG1-O 3.45Å; V32-V115 HydrophobicContact CG2-CB 4.19Å; V32-V115 HydrophobicContact CG2-CG2 3.84Å; D111-V115 WeakPolarHBondContact O-CG1 3.4Å; D111-V115 PolarHBondContact O-N 2.77Å; R112-V115 VanDerWaalsContact O-CG2 3.28Å; R112-V115 WeakPolarHBondContact O-CG2 3.5Å; V115-K119 WeakPolarHBondContact O-CB 3.36Å; V115-K119 PolarHBondContact O-N 3.33Å
116	Y	98.8	Very high	98.6	Very high	44 Å²	44	52.7 Å²	52.7	17%	0.173	24%	0.235	C	C	.	.	H	α-helix	trans	-73.9	-35.2	174	-72.8	-43.1	0	0	0	113.4	V32 G93 L94 V95 R112 L114 K119 R120	V32-Y116 HydrophobicContact CG1-CD1 4.03Å; V32-Y116 HydrophobicContact CG1-CE1 4.19Å; G93-Y116 PolarHBondContact O-OH 3.05Å; L94-Y116 VanDerWaalsContact CA-OH 3.23Å; L94-Y116 WeakPolarHBondContact CA-OH 3.29Å; V95-Y116 PolarHBondContact N-OH 2.91Å; R112-Y116 HydrophobicContact CG-CD2 3.8Å; R112-Y116 HydrophobicContact CG-CE2 3.47Å; R112-Y116 VanDerWaalsContact CG-CE2 3.47Å; R112-Y116 WeakPolarHBondContact O-CD2 3.3Å; R112-Y116 PolarHBondContact O-N 2.94Å; L114-Y116 VanDerWaalsContact C-N 3.27Å; L114-Y116 PolarHBondContact O-N 2.89Å; Y116-K119 PolarHBondContact O-N 3Å; Y116-R120 WeakPolarHBondContact O-CG 3.23Å; Y116-R120 PolarHBondContact O-N 3.39Å
117	C	98.9	Very high	98.5	Very high	35 Å²	35	52.9 Å²	52.9	24%	0.236	24%	0.242	C	C	.	.	H	α-helix	trans	-62.6	-46.4	171.4	-173.5	0	0	0	0	110.5	C63 K113 L114 K119 R120 N121	C63-C117 VanDerWaalsContact CA-SG 3.51Å; C63-C117 HydrophobicContact CB-CB 3.62Å; C63-C117 WeakPolarHBondContact CB-SG 3.17Å; C63-C117 WeakPolarHBondContact SG-CB 3.41Å; C63-C117 PolarHBondContact SG-O 3.37Å; C63-C117 CovalentContact SG-SG 2.03Å; C63-C117 PolarHBondContact SG-SG 3.14Å; K113-C117 WeakPolarHBondContact O-CB 3.45Å; K113-C117 PolarHBondContact O-N 2.95Å; L114-C117 CarbonylContact O-C 3.54Å; L114-C117 WeakPolarHBondContact O-CA 3.04Å; L114-C117 WeakPolarHBondContact O-CB 3.42Å; L114-C117 PolarHBondContact O-N 3.16Å; C117-K119 PolarHBondContact O-N 3.25Å; C117-R120 PolarHBondContact O-N 3.33Å; C117-N121 PolarHBondContact O-N 2.98Å; C117-N121 PolarHBondContact O-ND2 3.31Å
118	L	98.8	Very high	98.5	Very high	1 Å²	1	60.1 Å²	60.1	1%	0.005	28%	0.276	C	S	.	.	H	α-helix	trans	-58.5	-46.6	175	-62	177.2	0	0	0	111.2	I29 T33 Y41 T60 C63 L114 R120 N121 L122	I29-L118 HydrophobicContact CD1-CD1 4.35Å; I29-L118 HydrophobicContact CG1-CD1 4.12Å; T33-L118 HydrophobicContact CG2-CB 3.89Å; Y41-L118 HydrophobicContact CD1-CD1 4.21Å; Y41-L118 HydrophobicContact CD1-CD2 3.96Å; Y41-L118 HydrophobicContact CD2-CD1 4.43Å; Y41-L118 HydrophobicContact CE1-CB 4.35Å; Y41-L118 HydrophobicContact CE1-CD1 4.19Å; Y41-L118 HydrophobicContact CE1-CD2 3.86Å; Y41-L118 HydrophobicContact CE1-CG 4.35Å; Y41-L118 HydrophobicContact CE2-CD1 4.37Å; Y41-L118 HydrophobicContact CG-CD1 4.31Å; T60-L118 HydrophobicContact CG2-CD2 3.7Å; C63-L118 HydrophobicContact CB-CD2 3.94Å; C63-L118 HydrophobicContact CB-CG 4.5Å; L114-L118 HydrophobicContact CD1-CD1 3.92Å; L114-L118 HydrophobicContact CD1-CD2 4.01Å; L114-L118 HydrophobicContact CD1-CG 3.8Å; L114-L118 HydrophobicContact CG-CD1 3.96Å; L114-L118 HydrophobicContact CG-CG 4.24Å; L114-L118 WeakPolarHBondContact O-CG 3.03Å; L114-L118 PolarHBondContact O-N 2.91Å; L118-R120 VanDerWaalsContact C-N 3.3Å; L118-R120 PolarHBondContact O-N 2.93Å; L118-N121 CarbonylContact O-C 3.59Å; L118-N121 PolarHBondContact O-N 2.87Å; L118-L122 PolarHBondContact O-N 3.06Å
119	K	98.4	Very high	98.5	Very high	93 Å²	93	62.7 Å²	62.7	40%	0.404	29%	0.286	S	S	.	.	H	α-helix	trans	-56.1	-41.7	176.9	-175.4	172.9	-178.8	169.8	0	112.8	V32 V115 Y116 C117 N121 L122	V32-K119 HydrophobicContact CG1-CB 4.01Å; V32-K119 HydrophobicContact CG1-CD 3.86Å; V32-K119 HydrophobicContact CG1-CG 4.48Å; V115-K119 WeakPolarHBondContact O-CB 3.36Å; V115-K119 PolarHBondContact O-N 3.33Å; Y116-K119 PolarHBondContact O-N 3Å; C117-K119 PolarHBondContact O-N 3.25Å; K119-N121 VanDerWaalsContact C-N 3.29Å; K119-N121 PolarHBondContact O-N 3.06Å; K119-L122 HydrophobicContact CG-CD1 4.23Å; K119-L122 WeakPolarHBondContact O-CB 3.05Å; K119-L122 WeakPolarHBondContact O-CD1 3.34Å; K119-L122 WeakPolarHBondContact O-CG 3.38Å; K119-L122 PolarHBondContact O-N 3.43Å
120	R	98.6	Very high	98.4	Very high	182 Å²	182	64.5 Å²	64.5	69%	0.687	29%	0.292	S	S	*	.	H	α-helix	trans	-69.4	-26.5	178.5	-71.7	175.5	-166.5	143.3	1.4	113.2	Y116 C117 L118 W123	Y116-R120 WeakPolarHBondContact O-CG 3.23Å; Y116-R120 PolarHBondContact O-N 3.39Å; C117-R120 PolarHBondContact O-N 3.33Å; L118-R120 VanDerWaalsContact C-N 3.3Å; L118-R120 PolarHBondContact O-N 2.93Å; R120-W123 PolarHBondContact O-NE1 3.07Å
121	N	98.8	Very high	98.3	Very high	30 Å²	30	70.4 Å²	70.4	16%	0.16	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	10	179.8	-70.9	-78.9	0	0	0	113.2	G59 C63 C117 L118 K119 W123 S124 Y125	G59-N121 WeakPolarHBondContact CA-OD1 3.46Å; G59-N121 PolarHBondContact O-ND2 3.3Å; C63-N121 PolarHBondContact SG-ND2 3.28Å; C63-N121 VanDerWaalsContact SG-ND2 3.45Å; C117-N121 PolarHBondContact O-N 2.98Å; C117-N121 PolarHBondContact O-ND2 3.31Å; L118-N121 CarbonylContact O-C 3.59Å; L118-N121 PolarHBondContact O-N 2.87Å; K119-N121 VanDerWaalsContact C-N 3.29Å; K119-N121 PolarHBondContact O-N 3.06Å; N121-W123 PolarHBondContact O-N 3.3Å; N121-S124 CarbonylContact O-C 3.51Å; N121-S124 PolarHBondContact O-N 3.06Å; N121-S124 PolarHBondContact O-OG 2.96Å; N121-Y125 PolarHBondContact O-N 2.87Å
122	L	98.5	Very high	98.2	Very high	59 Å²	59	72 Å²	72	31%	0.309	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-58.3	-33.8	178.1	-78.2	174.5	0	0	0	113.3	K35 L118 K119 Y125	K35-L122 HydrophobicContact CD-CD2 4Å; K35-L122 HydrophobicContact CG-CD2 4.45Å; L118-L122 PolarHBondContact O-N 3.06Å; K119-L122 HydrophobicContact CG-CD1 4.23Å; K119-L122 WeakPolarHBondContact O-CB 3.05Å; K119-L122 WeakPolarHBondContact O-CD1 3.34Å; K119-L122 WeakPolarHBondContact O-CG 3.38Å; K119-L122 PolarHBondContact O-N 3.43Å; L122-Y125 WeakPolarHBondContact O-CB 3Å
123	W	98	Very high	98	Very high	220 Å²	220	70.8 Å²	70.8	83%	0.833	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-72.3	-29	-179.2	69.7	-89.6	0	0	0	112.9	R120 N121	R120-W123 PolarHBondContact O-NE1 3.07Å; N121-W123 PolarHBondContact O-N 3.3Å
124	S	98.2	Very high	97.7	Very high	35 Å²	35	67 Å²	67	25%	0.245	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-103.6	10.2	179.6	61.9	0	0	0	0	112.5	N121 N126	N121-S124 CarbonylContact O-C 3.51Å; N121-S124 PolarHBondContact O-N 3.06Å; N121-S124 PolarHBondContact O-OG 2.96Å; S124-N126 PolarHBondContact O-N 2.71Å
125	Y	98.6	Very high	97.5	Very high	26 Å²	26	73.3 Å²	73.3	10%	0.102	34%	0.343	C	S	.	.			trans	-63.1	125.6	178.5	-179.1	-86.2	0	0	0	110.1	N40 Y41 Y44 T60 N121 L122 P127 Q130	N40-Y125 WeakPolarHBondContact CA-OH 3.28Å; N40-Y125 PolarHBondContact O-OH 3Å; Y41-Y125 HydrophobicContact CD1-CE2 4.11Å; Y41-Y125 HydrophobicContact CE1-CD2 4.04Å; Y41-Y125 AromaticContact CE1-CE2 3.68Å; Y41-Y125 HydrophobicContact CE1-CE2 3.68Å; Y44-Y125 AromaticContact CD2-CE2 3.66Å; Y44-Y125 HydrophobicContact CD2-CE2 3.66Å; Y44-Y125 AromaticContact CD2-CZ 3.76Å; Y44-Y125 AromaticContact CE2-CD2 3.87Å; Y44-Y125 HydrophobicContact CE2-CD2 3.87Å; Y44-Y125 HydrophobicContact CE2-CE1 4.09Å; Y44-Y125 AromaticContact CE2-CE2 3.27Å; Y44-Y125 HydrophobicContact CE2-CE2 3.27Å; Y44-Y125 HydrophobicContact CE2-CG 4.49Å; Y44-Y125 AromaticContact CE2-CZ 3.39Å; Y44-Y125 AromaticContact CZ-CE2 3.98Å; T60-Y125 HydrophobicContact CG2-CD2 4.24Å; T60-Y125 HydrophobicContact CG2-CE2 4.4Å; N121-Y125 PolarHBondContact O-N 2.87Å; L122-Y125 WeakPolarHBondContact O-CB 3Å; Y125-P127 HydrophobicContact CD1-CG 4.38Å; Y125-P127 HydrophobicContact CE1-CG 4.26Å; Y125-Q130 WeakPolarHBondContact OH-CG 3.39Å; Y125-Q130 PolarHBondContact OH-NE2 3.38Å
126	N	98.3	Very high	97.4	Very high	41 Å²	41	78 Å²	78	22%	0.219	37%	0.368	C	S	.	.			trans	-110.4	109.5	-179	-174.3	-5.8	0	0	0	111.3	Y44 S124 Q128 Y129	Y44-N126 VanDerWaalsContact CE2-O 3.23Å; Y44-N126 WeakPolarHBondContact CE2-O 3.46Å; Y44-N126 PolarHBondContact OH-N 2.91Å; Y44-N126 PolarHBondContact OH-O 3.23Å; Y44-N126 VanDerWaalsContact OH-O 3.14Å; S124-N126 PolarHBondContact O-N 2.71Å; N126-Q128 PolarHBondContact O-N 3.1Å; N126-Q128 VanDerWaalsContact OD1-CB 3.31Å; N126-Q128 WeakPolarHBondContact OD1-CB 3.43Å; N126-Q128 WeakPolarHBondContact OD1-CG 3.44Å; N126-Q128 PolarHBondContact OD1-N 3.45Å; N126-Y129 HydrophobicContact CB-CD2 3.76Å; N126-Y129 HydrophobicContact CB-CE2 3.97Å; N126-Y129 PolarHBondContact O-N 3.08Å
127	P	97.8	Very high	97.3	Very high	83 Å²	83	76.3 Å²	76.3	54%	0.539	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-56.9	-22.9	177.4	-24.8	34.6	0	0	0	114.9	Y125 Y129 Q130	Y125-P127 HydrophobicContact CD1-CG 4.38Å; Y125-P127 HydrophobicContact CE1-CG 4.26Å; P127-Y129 PolarHBondContact O-N 2.97Å; P127-Q130 WeakPolarHBondContact O-CB 3.4Å; P127-Q130 PolarHBondContact O-N 2.82Å
128	Q	97.8	Very high	97	Very high	154 Å²	154	80.7 Å²	80.7	72%	0.72	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-65	-20.1	177.2	-64.1	-179.3	-17.1	0	0	113.4	N126	N126-Q128 PolarHBondContact O-N 3.1Å; N126-Q128 VanDerWaalsContact OD1-CB 3.31Å; N126-Q128 WeakPolarHBondContact OD1-CB 3.43Å; N126-Q128 WeakPolarHBondContact OD1-CG 3.44Å; N126-Q128 PolarHBondContact OD1-N 3.45Å
129	Y	98.1	Very high	96.9	Very high	56 Å²	56	84.7 Å²	84.7	22%	0.22	41%	0.413	C	S	.	.	G	3₁₀ helix	trans	-92.2	1.7	175.6	-57.4	-39	0	0	0	112.9	Y44 G45 K57 D58 N126 P127 F132	Y44-Y129 CarbonylContact C-O 3.58Å; Y44-Y129 VanDerWaalsContact CA-O 3.25Å; Y44-Y129 WeakPolarHBondContact CA-O 3.5Å; Y44-Y129 HydrophobicContact CE1-CD2 4.28Å; G45-Y129 PolarHBondContact N-O 2.72Å; K57-Y129 HydrophobicContact CB-CD1 4.2Å; K57-Y129 HydrophobicContact CB-CD2 3.89Å; K57-Y129 HydrophobicContact CB-CE1 4.13Å; K57-Y129 HydrophobicContact CB-CE2 3.8Å; K57-Y129 HydrophobicContact CB-CG 4.1Å; K57-Y129 HydrophobicContact CG-CD1 4.32Å; K57-Y129 HydrophobicContact CG-CE1 4.35Å; D58-Y129 HydrophobicContact CB-CD2 4.47Å; D58-Y129 HydrophobicContact CB-CE2 4.21Å; N126-Y129 HydrophobicContact CB-CD2 3.76Å; N126-Y129 HydrophobicContact CB-CE2 3.97Å; N126-Y129 PolarHBondContact O-N 3.08Å; P127-Y129 PolarHBondContact O-N 2.97Å; Y129-F132 AromaticContact CD1-CD2 3.77Å; Y129-F132 HydrophobicContact CD1-CD2 3.77Å; Y129-F132 HydrophobicContact CD1-CE2 4.04Å; Y129-F132 HydrophobicContact CD1-CG 4.48Å; Y129-F132 HydrophobicContact CE1-CD2 4.5Å; Y129-F132 HydrophobicContact CE1-CE2 4.32Å; Y129-F132 WeakPolarHBondContact O-CB 3.42Å; Y129-F132 PolarHBondContact O-N 2.8Å
130	Q	97.3	Very high	96.8	Very high	55 Å²	55	84.2 Å²	84.2	26%	0.257	41%	0.413	S	S	.	.	B	Isolated β-bridge	trans	-67.2	134.2	166.1	-69.2	177.8	-1	0	0	110.1	N40 Y44 Y125 P127 F132	N40-Q130 PolarHBondContact ND2-NE2 2.88Å; Y44-Q130 HydrophobicContact CD2-CG 4.15Å; Y125-Q130 WeakPolarHBondContact OH-CG 3.39Å; Y125-Q130 PolarHBondContact OH-NE2 3.38Å; P127-Q130 WeakPolarHBondContact O-CB 3.4Å; P127-Q130 PolarHBondContact O-N 2.82Å; Q130-F132 PolarHBondContact O-N 2.75Å
131	Y	96.3	Very high	96.7	Very high	129 Å²	129	78.8 Å²	78.8	51%	0.506	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.2	36.5	-177.5	-46	-74	0	0	0	112.5	T39 F43	T39-Y131 WeakPolarHBondContact CA-OH 3.21Å; T39-Y131 VanDerWaalsContact CB-OH 3.3Å; T39-Y131 WeakPolarHBondContact CB-OH 3.46Å; F43-Y131 HydrophobicContact CB-CD1 3.89Å; F43-Y131 AromaticContact CD2-CD1 3.84Å; F43-Y131 HydrophobicContact CD2-CD1 3.84Å; F43-Y131 AromaticContact CD2-CE1 3.89Å; F43-Y131 HydrophobicContact CD2-CE1 3.89Å; F43-Y131 HydrophobicContact CG-CD1 4.14Å; F43-Y131 WeakPolarHBondContact O-CA 2.87Å; F43-Y131 PolarHBondContact O-N 2.79Å
132	F	96.6	Very high	96.6	Very high	34 Å²	34	81.6 Å²	81.6	15%	0.149	41%	0.412	C	S	.	.			trans	-66.6	129.1	-175.8	-171	-97.2	0	0	0	110.5	F43 K57 Y129 Q130 N134 L136	F43-F132 PolarHBondContact O-N 2.99Å; F43-F132 VanDerWaalsContact O-N 3.15Å; K57-F132 HydrophobicContact CD-CE1 4.41Å; K57-F132 HydrophobicContact CD-CZ 4.45Å; K57-F132 HydrophobicContact CG-CE1 4.46Å; Y129-F132 AromaticContact CD1-CD2 3.77Å; Y129-F132 HydrophobicContact CD1-CD2 3.77Å; Y129-F132 HydrophobicContact CD1-CE2 4.04Å; Y129-F132 HydrophobicContact CD1-CG 4.48Å; Y129-F132 HydrophobicContact CE1-CD2 4.5Å; Y129-F132 HydrophobicContact CE1-CE2 4.32Å; Y129-F132 WeakPolarHBondContact O-CB 3.42Å; Y129-F132 PolarHBondContact O-N 2.8Å; Q130-F132 PolarHBondContact O-N 2.75Å; F132-N134 PolarHBondContact O-N 2.84Å; F132-L136 HydrophobicContact CE1-CB 3.62Å; F132-L136 HydrophobicContact CE2-CD1 4.39Å; F132-L136 HydrophobicContact CZ-CB 3.58Å; F132-L136 HydrophobicContact CZ-CD1 4.08Å; F132-L136 HydrophobicContact CZ-CG 4.48Å
133	P	95.3	Very high	96.4	Very high	63 Å²	63	83.1 Å²	83.1	41%	0.409	42%	0.418	S	S	.	.			trans	-67.8	119	-177.1	-20.5	31.8	0	0	0	112.1	I135 L136	P133-I135 HydrophobicContact CB-CG1 3.86Å; P133-I135 PolarHBondContact O-N 2.86Å; P133-L136 HydrophobicContact CB-CD1 4.3Å; P133-L136 HydrophobicContact CB-CG 4.29Å; P133-L136 HydrophobicContact CG-CD1 4.17Å; P133-L136 WeakPolarHBondContact O-CB 2.92Å; P133-L136 PolarHBondContact O-N 2.88Å
134	N	91.5	Very high	96.3	Very high	58 Å²	58	73.9 Å²	73.9	31%	0.31	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-56.3	-20.6	178.5	-76.6	-27.8	0	0	0	114.7	W50 R53 F132 L136 C137	W50-N134 PolarHBondContact O-ND2 2.85Å; W50-N134 PolarHBondContact O-OD1 2.91Å; R53-N134 PolarHBondContact NE-O 2.85Å; R53-N134 PolarHBondContact NH2-O 3.3Å; F132-N134 PolarHBondContact O-N 2.84Å; N134-L136 PolarHBondContact O-N 2.8Å; N134-C137 WeakPolarHBondContact O-CB 3.15Å; N134-C137 PolarHBondContact O-N 3.32Å
135	I	94.9	Very high	96.2	Very high	142 Å²	142	76.7 Å²	76.7	73%	0.728	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-65.1	-21.4	173.2	60.6	170.5	0	0	0	113.2	P133 C137	P133-I135 HydrophobicContact CB-CG1 3.86Å; P133-I135 PolarHBondContact O-N 2.86Å; I135-C137 VanDerWaalsContact C-N 3.33Å
136	L	95.4	Very high	96	Very high	97 Å²	97	80.6 Å²	80.6	51%	0.508	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-94.6	10.6	177.9	-55.3	179.4	0	0	0	112.6	K57 F132 P133 N134	K57-L136 PolarHBondContact NZ-O 2.78Å; F132-L136 HydrophobicContact CE1-CB 3.62Å; F132-L136 HydrophobicContact CE2-CD1 4.39Å; F132-L136 HydrophobicContact CZ-CB 3.58Å; F132-L136 HydrophobicContact CZ-CD1 4.08Å; F132-L136 HydrophobicContact CZ-CG 4.48Å; P133-L136 HydrophobicContact CB-CD1 4.3Å; P133-L136 HydrophobicContact CB-CG 4.29Å; P133-L136 HydrophobicContact CG-CD1 4.17Å; P133-L136 WeakPolarHBondContact O-CB 2.92Å; P133-L136 PolarHBondContact O-N 2.88Å; N134-L136 PolarHBondContact O-N 2.8Å
137	C	96.8	Very high	95.8	Very high	10 Å²	10	83.9 Å²	83.9	7%	0.068	44%	0.441	C	S	.	.			trans	-94.3	115.9	175.7	-62.4	0	0	0	0	110.1	C46 R53 N134 I135	C46-C137 WeakPolarHBondContact CA-SG 3.47Å; C46-C137 HydrophobicContact CB-CB 3.74Å; C46-C137 WeakPolarHBondContact CB-SG 3.37Å; C46-C137 VanDerWaalsContact SG-CA 3.53Å; C46-C137 WeakPolarHBondContact SG-CB 3.35Å; C46-C137 CovalentContact SG-SG 2.03Å; C46-C137 PolarHBondContact SG-SG 3.47Å; R53-C137 HydrophobicContact CG-CB 4.03Å; N134-C137 WeakPolarHBondContact O-CB 3.15Å; N134-C137 PolarHBondContact O-N 3.32Å; I135-C137 VanDerWaalsContact C-N 3.33Å
138	S	92.4	Very high	95.7	Very high	126 Å²	126	84 Å²	84	88%	0.881	43%	0.432	S	S	*	.			trans	-136.1	0	-176.9	61	0	0	0	0	111.4	G54 T55	G54-S138 CarbonylContact C-O 3.59Å; G54-S138 VanDerWaalsContact CA-O 3.3Å; G54-S138 WeakPolarHBondContact CA-O 3.39Å; G54-S138 WeakPolarHBondContact CA-OXT 3.5Å; T55-S138 PolarHBondContact N-O 3.04Å

Retrieved 138 of 138 residues in 27.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).