A0A087WRS9_MOUSE Loading...

Isocitrate dehydrogenase 1 (NADP+), soluble

AlphaFold DB , UniProt , Accession A0A087WRS9, Species MOUSE (Mus musculus, Mouse), Gene Idh1, Length 202 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	61.9	Low	90	Very high	242 Å²	242	95.8 Å²	95.8	100%	1.192	52%	0.515	S	S	*	.				0	133.2	0	-67.7	-177.7	-166.1	0	0	107.8	R3	M1-R3 PolarHBondContact O-N 2.67Å
2	S	68.1	Low	90.7	Very high	103 Å²	103	88.2 Å²	88.2	72%	0.72	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-62	136	173.6	54.9	0	0	0	0	109.2	K4	S2-K4 PolarHBondContact O-N 3.47Å
3	R	85.9	Confident	91.3	Very high	232 Å²	232	81.7 Å²	81.7	88%	0.875	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-63.3	118.7	176.9	-173.4	176.2	-178.8	176.5	-0.1	108.9	M1	M1-R3 PolarHBondContact O-N 2.67Å
4	K	95.3	Very high	91.8	Very high	91 Å²	91	78.3 Å²	78.3	40%	0.396	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-65.9	148.5	173.9	-66.2	-173.4	-177.1	-172.1	0	110.3	S2 Q6 L32 Y34 E36	S2-K4 PolarHBondContact O-N 3.47Å; K4-Q6 PolarHBondContact O-N 2.84Å; K4-L32 VanDerWaalsContact CE-O 3.32Å; K4-L32 WeakPolarHBondContact CE-O 3.32Å; K4-L32 PolarHBondContact NZ-O 3.11Å; K4-Y34 WeakPolarHBondContact CA-O 3.18Å; K4-E36 HydrophobicContact CB-CB 4.25Å; K4-E36 HydrophobicContact CD-CB 4.38Å
5	I	97.1	Very high	92.2	Very high	115 Å²	115	73.1 Å²	73.1	59%	0.59	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.5	128.5	171.1	-59.6	168.6	0	0	0	107.5	Y34 V35 E36	I5-Y34 PolarHBondContact N-O 2.97Å; I5-V35 HydrophobicContact CB-CG2 4.44Å; I5-V35 CarbonylContact O-C 3.56Å; I5-V35 WeakPolarHBondContact O-CA 3.31Å; I5-E36 PolarHBondContact O-N 3.09Å
6	Q	96.1	Very high	92.6	Very high	119 Å²	119	69.3 Å²	69.3	56%	0.556	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.9	120.7	175.6	-60.4	-63.2	-62.7	0	0	109	K4 E36	K4-Q6 PolarHBondContact O-N 2.84Å; Q6-E36 PolarHBondContact NE2-OE2 3.4Å
7	G	94.7	Very high	92.9	Very high	37 Å²	37	71.6 Å²	71.6	38%	0.381	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	175.4	172.6	0	0	0	0	0	112.4	E36	G7-E36 WeakPolarHBondContact CA-O 3.04Å; G7-E36 PolarHBondContact N-O 3.05Å
8	G	95.6	Very high	93.2	Very high	51 Å²	51	73.8 Å²	73.8	53%	0.526	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	-170.8	177	0	0	0	0	0	113.3
9	S	98.1	Very high	93.5	Very high	42 Å²	42	72.9 Å²	72.9	29%	0.294	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	132.6	173.6	-51.9	0	0	0	0	111.3	D38	S9-D38 CarbonylContact C-O 3.56Å; S9-D38 VanDerWaalsContact CA-O 3.27Å; S9-D38 WeakPolarHBondContact CA-O 3.34Å; S9-D38 PolarHBondContact OG-OD2 3.32Å
10	V	98.3	Very high	93.7	Very high	22 Å²	22	73.2 Å²	73.2	13%	0.133	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	131.8	178.3	176.4	0	0	0	0	109.4	L37 D38 L39 H40 V69 V71	V10-L37 HydrophobicContact CG2-CD2 4.24Å; V10-D38 PolarHBondContact N-O 2.91Å; V10-L39 HydrophobicContact CB-CD2 4.05Å; V10-L39 HydrophobicContact CG1-CD2 4.41Å; V10-L39 WeakPolarHBondContact O-CA 3.35Å; V10-H40 PolarHBondContact O-N 3.36Å; V10-V69 HydrophobicContact CG1-CG1 4.37Å; V10-V69 HydrophobicContact CG2-CG1 4.31Å; V10-V71 HydrophobicContact CG1-CG1 4.06Å; V10-V71 HydrophobicContact CG1-CG2 3.79Å
11	V	98.7	Very high	93.9	Very high	0 Å²	0	74.5 Å²	74.5	0%	0	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	117.7	171.3	-177.9	0	0	0	0	109.3	M13 H40 Y42 A63 I64 Y67 V69 G70 V71	V11-M13 HydrophobicContact CG1-CG 4.47Å; V11-H40 CarbonylContact C-O 3.59Å; V11-H40 WeakPolarHBondContact CA-O 3.44Å; V11-H40 HydrophobicContact CG2-CB 4.43Å; V11-Y42 HydrophobicContact CG1-CD2 3.65Å; V11-Y42 HydrophobicContact CG1-CE2 3.81Å; V11-A63 HydrophobicContact CG1-CB 4.16Å; V11-A63 HydrophobicContact CG2-CB 3.82Å; V11-I64 HydrophobicContact CB-CG1 3.92Å; V11-I64 HydrophobicContact CG1-CG1 3.98Å; V11-I64 HydrophobicContact CG2-CG1 4.15Å; V11-Y67 HydrophobicContact CG2-CD2 3.89Å; V11-Y67 HydrophobicContact CG2-CG 4.47Å; V11-V69 PolarHBondContact N-O 3.02Å; V11-G70 CarbonylContact O-C 3.6Å; V11-G70 WeakPolarHBondContact O-CA 3.34Å; V11-V71 PolarHBondContact O-N 3.35Å
12	E	98.4	Very high	95.6	Very high	4 Å²	4	66.7 Å²	66.7	2%	0.019	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	126.6	174.2	176	-170.1	-150.1	0	0	109.3	Q14 W23 K27 H40 S41 Y42	E12-Q14 HydrophobicContact CG-CG 4.47Å; E12-W23 HydrophobicContact CG-CZ2 4.05Å; E12-W23 PolarHBondContact OE1-NE1 3Å; E12-K27 WeakPolarHBondContact OE1-CD 3.34Å; E12-K27 IonicContact OE1-NZ 3.54Å; E12-K27 PolarHBondContact OE1-NZ 2.9Å; E12-K27 IonicContact OE2-NZ 2.76Å; E12-H40 PolarHBondContact N-O 2.83Å; E12-S41 CarbonylContact O-C 3.57Å; E12-S41 WeakPolarHBondContact O-CA 3.46Å; E12-S41 WeakPolarHBondContact OE2-CB 3.37Å; E12-S41 PolarHBondContact OE2-OG 2.87Å; E12-Y42 PolarHBondContact O-N 3.39Å
13	M	98.7	Very high	97.1	Very high	4 Å²	4	64.1 Å²	64.1	2%	0.02	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	108.7	171.3	-70.2	161.4	-82.1	0	0	109.9	V11 Y42 L44 A60 I64 V71 K72 C73 I99	V11-M13 HydrophobicContact CG1-CG 4.47Å; M13-Y42 CarbonylContact C-O 3.58Å; M13-Y42 WeakPolarHBondContact CA-O 3.42Å; M13-L44 HydrophobicContact CB-CD1 3.77Å; M13-L44 HydrophobicContact CB-CG 4.05Å; M13-L44 HydrophobicContact CG-CD1 3.75Å; M13-L44 HydrophobicContact CG-CG 4.19Å; M13-L44 HydrophobicContact SD-CD1 3.96Å; M13-A60 HydrophobicContact CG-CB 3.83Å; M13-A60 HydrophobicContact SD-CB 4.1Å; M13-I64 HydrophobicContact CE-CD1 3.45Å; M13-I64 VanDerWaalsContact CE-CD1 3.45Å; M13-I64 HydrophobicContact CE-CG1 4.24Å; M13-I64 HydrophobicContact SD-CD1 3.92Å; M13-V71 PolarHBondContact N-O 2.92Å; M13-K72 HydrophobicContact CB-CB 4.09Å; M13-K72 HydrophobicContact CB-CG 3.95Å; M13-K72 HydrophobicContact CE-CB 3.74Å; M13-K72 HydrophobicContact CE-CG 4.45Å; M13-K72 HydrophobicContact SD-CB 4.18Å; M13-K72 HydrophobicContact SD-CD 4.05Å; M13-K72 HydrophobicContact SD-CG 4.25Å; M13-C73 WeakPolarHBondContact O-CB 3.38Å; M13-C73 PolarHBondContact O-N 3.33Å; M13-I99 HydrophobicContact SD-CD1 3.61Å
14	Q	98.1	Very high	97.6	Very high	34 Å²	34	55.6 Å²	55.6	16%	0.159	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	164	176.1	-56.6	-177.8	9.7	0	0	111.1	E12 Y42 L44	E12-Q14 HydrophobicContact CG-CG 4.47Å; Q14-Y42 PolarHBondContact N-O 2.87Å; Q14-L44 VanDerWaalsContact O-CB 3.31Å; Q14-L44 WeakPolarHBondContact O-CB 3.48Å; Q14-L44 PolarHBondContact O-N 2.95Å
15	G	97.9	Very high	97.7	Very high	0 Å²	0	55 Å²	55	0%	0	30%	0.295	C	S	.	.			trans	-135.5	-154.1	-170.2	0	0	0	0	0	113.3	R20 A74	G15-R20 VanDerWaalsContact O-CD 3.29Å; G15-R20 WeakPolarHBondContact O-CD 3.36Å; G15-R20 WeakPolarHBondContact O-CG 3.1Å; G15-R20 PolarHBondContact O-NH1 2.95Å; G15-A74 CarbonylContact C-O 3.59Å; G15-A74 WeakPolarHBondContact CA-O 3.45Å
16	D	98.5	Very high	97.8	Very high	12 Å²	12	52.9 Å²	52.9	6%	0.064	29%	0.285	C	S	.	.			trans	-120.5	166.7	-169.7	-65.6	-64.7	0	0	0	112.6	T19 R20 G45 I46 A74 T75 I76	D16-T19 PolarHBondContact O-N 2.89Å; D16-T19 PolarHBondContact O-OG1 3.39Å; D16-R20 PolarHBondContact O-N 2.88Å; D16-G45 WeakPolarHBondContact OD1-CA 3.46Å; D16-I46 PolarHBondContact OD1-N 3.01Å; D16-A74 PolarHBondContact N-O 2.86Å; D16-T75 VanDerWaalsContact OD2-CA 3.23Å; D16-T75 WeakPolarHBondContact OD2-CA 3.4Å; D16-I76 HydrophobicContact CB-CB 4.49Å; D16-I76 HydrophobicContact CB-CD1 3.81Å; D16-I76 HydrophobicContact CB-CG1 3.74Å; D16-I76 PolarHBondContact OD2-N 2.89Å
17	E	98	Very high	97.8	Very high	109 Å²	109	48.7 Å²	48.7	51%	0.509	27%	0.265	S	S	.	.	H	α-helix	trans	49.8	-139.8	168.7	-57	-178.3	133.6	0	0	113.7	T19 R20 I76 R82	E17-T19 PolarHBondContact O-N 3.24Å; E17-R20 WeakPolarHBondContact O-CB 3.46Å; E17-R20 PolarHBondContact O-N 2.84Å; E17-I76 HydrophobicContact CG-CD1 3.99Å; E17-I76 HydrophobicContact CG-CG1 4.41Å; E17-R82 IonicContact OE1-CZ 2.94Å; E17-R82 IonicContact OE1-NH1 2.94Å; E17-R82 PolarHBondContact OE1-NH1 3.25Å; E17-R82 IonicContact OE1-NH2 2.84Å; E17-R82 PolarHBondContact OE1-NH2 2.86Å; E17-R82 IonicContact OE2-NH2 3.7Å
18	M	98.3	Very high	97.9	Very high	112 Å²	112	52.5 Å²	52.5	55%	0.552	27%	0.272	S	S	*	.	H	α-helix	trans	-62.8	-32.1	-176.9	-166.5	63.2	-132.8	0	0	112.2	R20 I21 I22	M18-R20 VanDerWaalsContact C-N 3.32Å; M18-R20 PolarHBondContact O-N 3.04Å; M18-I21 HydrophobicContact CE-CB 3.95Å; M18-I21 HydrophobicContact CE-CD1 4.33Å; M18-I21 HydrophobicContact CE-CG2 3.97Å; M18-I21 PolarHBondContact O-N 3.19Å; M18-I21 HydrophobicContact SD-CD1 4.28Å; M18-I22 HydrophobicContact CE-CD1 4.17Å; M18-I22 HydrophobicContact CE-CG1 3.85Å; M18-I22 HydrophobicContact CG-CD1 4.01Å; M18-I22 WeakPolarHBondContact O-CG1 3.49Å; M18-I22 PolarHBondContact O-N 3.05Å
19	T	98	Very high	98	Very high	56 Å²	56	56.4 Å²	56.4	34%	0.344	28%	0.275	S	S	.	.	H	α-helix	trans	-66.5	-33.2	178.3	41.8	0	0	0	0	112.4	D16 E17 I21 I22 W23 C73 A74	D16-T19 PolarHBondContact O-N 2.89Å; D16-T19 PolarHBondContact O-OG1 3.39Å; E17-T19 PolarHBondContact O-N 3.24Å; T19-I21 VanDerWaalsContact C-N 3.34Å; T19-I21 PolarHBondContact O-N 3.26Å; T19-I22 PolarHBondContact O-N 2.84Å; T19-W23 WeakPolarHBondContact O-CB 3.48Å; T19-W23 PolarHBondContact O-N 3.12Å; T19-C73 PolarHBondContact O-SG 3.07Å; T19-C73 VanDerWaalsContact O-SG 3.34Å; T19-A74 HydrophobicContact CG2-CB 3.95Å
20	R	98.1	Very high	98	Very high	79 Å²	79	59.6 Å²	59.6	30%	0.298	29%	0.288	S	S	.	.	H	α-helix	trans	-61.4	-42.7	173.2	-167.6	-177.3	-176.4	105.4	-5	111.8	G15 D16 E17 M18 W23 E24 D43	G15-R20 VanDerWaalsContact O-CD 3.29Å; G15-R20 WeakPolarHBondContact O-CD 3.36Å; G15-R20 WeakPolarHBondContact O-CG 3.1Å; G15-R20 PolarHBondContact O-NH1 2.95Å; D16-R20 PolarHBondContact O-N 2.88Å; E17-R20 WeakPolarHBondContact O-CB 3.46Å; E17-R20 PolarHBondContact O-N 2.84Å; M18-R20 VanDerWaalsContact C-N 3.32Å; M18-R20 PolarHBondContact O-N 3.04Å; R20-W23 WeakPolarHBondContact O-CB 3.33Å; R20-W23 PolarHBondContact O-N 2.93Å; R20-E24 PolarHBondContact O-N 2.61Å; R20-D43 IonicContact CZ-OD1 3.38Å; R20-D43 IonicContact CZ-OD2 3.89Å; R20-D43 IonicContact NH1-OD1 3.2Å; R20-D43 PolarHBondContact NH1-OD1 3.44Å; R20-D43 IonicContact NH1-OD2 2.73Å; R20-D43 PolarHBondContact NH1-OD2 2.85Å; R20-D43 IonicContact NH2-OD1 3.17Å; R20-D43 IonicContact NH2-OD2 2.76Å; R20-D43 PolarHBondContact NH2-OD2 3.35Å
21	I	97.9	Very high	97.9	Very high	100 Å²	100	61.7 Å²	61.7	51%	0.513	30%	0.298	S	S	.	.	H	α-helix	trans	-66.1	-47	178.6	-58.2	173.9	0	0	0	110.8	M18 T19 W23 E24 L25	M18-I21 HydrophobicContact CE-CB 3.95Å; M18-I21 HydrophobicContact CE-CD1 4.33Å; M18-I21 HydrophobicContact CE-CG2 3.97Å; M18-I21 PolarHBondContact O-N 3.19Å; M18-I21 HydrophobicContact SD-CD1 4.28Å; T19-I21 VanDerWaalsContact C-N 3.34Å; T19-I21 PolarHBondContact O-N 3.26Å; I21-W23 VanDerWaalsContact C-N 3.27Å; I21-W23 PolarHBondContact O-N 3.36Å; I21-E24 PolarHBondContact O-N 3.04Å; I21-L25 PolarHBondContact O-N 3.24Å
22	I	98.4	Very high	97.8	Very high	78 Å²	78	64.4 Å²	64.4	40%	0.4	31%	0.312	S	S	.	.	H	α-helix	trans	-63.3	-37	178.5	-67.8	167.9	0	0	0	110.9	M18 T19 E24 L25 I26	M18-I22 HydrophobicContact CE-CD1 4.17Å; M18-I22 HydrophobicContact CE-CG1 3.85Å; M18-I22 HydrophobicContact CG-CD1 4.01Å; M18-I22 WeakPolarHBondContact O-CG1 3.49Å; M18-I22 PolarHBondContact O-N 3.05Å; T19-I22 PolarHBondContact O-N 2.84Å; I22-E24 PolarHBondContact O-N 3.21Å; I22-L25 PolarHBondContact O-N 3.47Å; I22-I26 HydrophobicContact CG2-CD1 3.71Å; I22-I26 HydrophobicContact CG2-CG1 4.2Å; I22-I26 WeakPolarHBondContact O-CG1 3.44Å; I22-I26 PolarHBondContact O-N 3.4Å
23	W	98.1	Very high	97.7	Very high	50 Å²	50	66.7 Å²	66.7	19%	0.189	33%	0.327	C	S	.	.	H	α-helix	trans	-58.1	-48.6	179	-173.4	-97.4	0	0	0	112.4	E12 T19 R20 I21 L25 I26 K27 V71 C73	E12-W23 HydrophobicContact CG-CZ2 4.05Å; E12-W23 PolarHBondContact OE1-NE1 3Å; T19-W23 WeakPolarHBondContact O-CB 3.48Å; T19-W23 PolarHBondContact O-N 3.12Å; R20-W23 WeakPolarHBondContact O-CB 3.33Å; R20-W23 PolarHBondContact O-N 2.93Å; I21-W23 VanDerWaalsContact C-N 3.27Å; I21-W23 PolarHBondContact O-N 3.36Å; W23-L25 PolarHBondContact O-N 3.32Å; W23-I26 PolarHBondContact O-N 3.44Å; W23-K27 PolarHBondContact O-N 3.17Å; W23-V71 HydrophobicContact CH2-CB 3.9Å; W23-V71 HydrophobicContact CH2-CG2 3.83Å; W23-V71 HydrophobicContact CZ2-CB 4.4Å; W23-V71 HydrophobicContact CZ2-CG2 3.81Å; W23-C73 HydrophobicContact CB-CB 4.43Å; W23-C73 HydrophobicContact CD2-CB 3.82Å; W23-C73 HydrophobicContact CE3-CB 3.8Å; W23-C73 HydrophobicContact CG-CB 4.1Å; W23-C73 HydrophobicContact CZ3-CB 4.37Å
24	E	97.1	Very high	97.7	Very high	52 Å²	52	73.1 Å²	73.1	24%	0.243	35%	0.352	C	S	.	.	H	α-helix	trans	-62.5	-42.6	176.9	-67.3	-54	133.7	0	0	111.5	R20 I21 I22 I26 K27 E28	R20-E24 PolarHBondContact O-N 2.61Å; I21-E24 PolarHBondContact O-N 3.04Å; I22-E24 PolarHBondContact O-N 3.21Å; E24-I26 PolarHBondContact O-N 2.87Å; E24-K27 VanDerWaalsContact CD-NZ 3.35Å; E24-K27 PolarHBondContact O-N 2.86Å; E24-K27 IonicContact OE1-NZ 3.51Å; E24-K27 PolarHBondContact OE1-NZ 2.88Å; E24-K27 WeakPolarHBondContact OE2-CE 3.44Å; E24-K27 IonicContact OE2-NZ 3.58Å; E24-K27 PolarHBondContact OE2-NZ 3.03Å; E24-E28 WeakPolarHBondContact O-CB 3.35Å; E24-E28 WeakPolarHBondContact O-CG 2.96Å; E24-E28 PolarHBondContact O-N 3.04Å
25	L	98.3	Very high	97.6	Very high	79 Å²	79	73 Å²	73	41%	0.414	35%	0.354	S	S	.	.	H	α-helix	trans	-61.5	-40.8	176.4	-68.2	175.4	0	0	0	112.8	I21 I22 W23 K29	I21-L25 PolarHBondContact O-N 3.24Å; I22-L25 PolarHBondContact O-N 3.47Å; W23-L25 PolarHBondContact O-N 3.32Å; L25-K29 HydrophobicContact CD2-CD 4.41Å; L25-K29 VanDerWaalsContact O-CB 3.26Å; L25-K29 WeakPolarHBondContact O-CB 3.38Å; L25-K29 PolarHBondContact O-N 2.91Å
26	I	98.1	Very high	97.6	Very high	71 Å²	71	78 Å²	78	36%	0.364	38%	0.377	S	S	.	.	H	α-helix	trans	-61.6	-50.2	175.5	-70.8	167.3	0	0	0	109.6	I22 W23 E24 L30 I31	I22-I26 HydrophobicContact CG2-CD1 3.71Å; I22-I26 HydrophobicContact CG2-CG1 4.2Å; I22-I26 WeakPolarHBondContact O-CG1 3.44Å; I22-I26 PolarHBondContact O-N 3.4Å; W23-I26 PolarHBondContact O-N 3.44Å; E24-I26 PolarHBondContact O-N 2.87Å; I26-L30 HydrophobicContact CG1-CD1 4.4Å; I26-L30 WeakPolarHBondContact O-CA 3.44Å; I26-L30 VanDerWaalsContact O-CB 3.27Å; I26-L30 WeakPolarHBondContact O-CB 3.46Å; I26-L30 PolarHBondContact O-N 3.36Å; I26-I31 HydrophobicContact CG2-CG1 4.16Å; I26-I31 PolarHBondContact O-N 3.11Å
27	K	96.3	Very high	97.4	Very high	31 Å²	31	79.9 Å²	79.9	14%	0.135	39%	0.387	C	S	.	.	I	π-helix	trans	-60.3	-52.3	-177.6	-177.4	172.3	63.4	-162.4	0	111.4	E12 W23 E24 I31 L32 L39	E12-K27 WeakPolarHBondContact OE1-CD 3.34Å; E12-K27 IonicContact OE1-NZ 3.54Å; E12-K27 PolarHBondContact OE1-NZ 2.9Å; E12-K27 IonicContact OE2-NZ 2.76Å; W23-K27 PolarHBondContact O-N 3.17Å; E24-K27 VanDerWaalsContact CD-NZ 3.35Å; E24-K27 PolarHBondContact O-N 2.86Å; E24-K27 IonicContact OE1-NZ 3.51Å; E24-K27 PolarHBondContact OE1-NZ 2.88Å; E24-K27 WeakPolarHBondContact OE2-CE 3.44Å; E24-K27 IonicContact OE2-NZ 3.58Å; E24-K27 PolarHBondContact OE2-NZ 3.03Å; K27-I31 PolarHBondContact O-N 3.21Å; K27-L32 HydrophobicContact CD-CD1 4.12Å; K27-L32 HydrophobicContact CG-CD1 3.58Å; K27-L32 HydrophobicContact CG-CD2 4.44Å; K27-L32 HydrophobicContact CG-CG 3.72Å; K27-L32 WeakPolarHBondContact O-CB 3.39Å; K27-L32 WeakPolarHBondContact O-CG 3.43Å; K27-L32 PolarHBondContact O-N 3.1Å; K27-L39 HydrophobicContact CD-CD1 4.43Å
28	E	96.9	Very high	97.4	Very high	117 Å²	117	78.6 Å²	78.6	55%	0.547	38%	0.384	S	S	.	.	I	π-helix	trans	-71.7	-37	-174.4	-69.6	-174.9	161.1	0	0	113.6	E24 P33	E24-E28 WeakPolarHBondContact O-CB 3.35Å; E24-E28 WeakPolarHBondContact O-CG 2.96Å; E24-E28 PolarHBondContact O-N 3.04Å; E28-P33 WeakPolarHBondContact O-CD 3.12Å; E28-P33 WeakPolarHBondContact O-CG 3.02Å
29	K	97.9	Very high	97.4	Very high	132 Å²	132	75.7 Å²	75.7	57%	0.574	37%	0.37	S	S	*	.	I	π-helix	trans	-98.7	-28.6	-172.7	-59.6	-171.6	176.3	-176.8	0	113.8	L25	L25-K29 HydrophobicContact CD2-CD 4.41Å; L25-K29 VanDerWaalsContact O-CB 3.26Å; L25-K29 WeakPolarHBondContact O-CB 3.38Å; L25-K29 PolarHBondContact O-N 2.91Å
30	L	97.8	Very high	97.4	Very high	110 Å²	110	74.6 Å²	74.6	58%	0.576	36%	0.361	S	S	*	.	I	π-helix	trans	-115.3	-22.7	-169.5	-51.3	179.6	0	0	0	113.6	I26 Y34	I26-L30 HydrophobicContact CG1-CD1 4.4Å; I26-L30 WeakPolarHBondContact O-CA 3.44Å; I26-L30 VanDerWaalsContact O-CB 3.27Å; I26-L30 WeakPolarHBondContact O-CB 3.46Å; I26-L30 PolarHBondContact O-N 3.36Å; L30-Y34 WeakPolarHBondContact O-CD2 3.45Å
31	I	97.2	Very high	97.4	Very high	65 Å²	65	73.9 Å²	73.9	33%	0.333	37%	0.368	S	S	.	.	I	π-helix	trans	-110.4	-68.2	-176.4	-51.9	-59.8	0	0	0	111.7	I26 K27 P33 Y34 V35 L37	I26-I31 HydrophobicContact CG2-CG1 4.16Å; I26-I31 PolarHBondContact O-N 3.11Å; K27-I31 PolarHBondContact O-N 3.21Å; I31-P33 VanDerWaalsContact C-N 3.34Å; I31-Y34 PolarHBondContact O-N 3.19Å; I31-V35 HydrophobicContact CG2-CB 4.36Å; I31-V35 PolarHBondContact O-N 3.2Å; I31-L37 HydrophobicContact CG2-CD1 3.9Å
32	L	95.9	Very high	97.4	Very high	58 Å²	58	71.9 Å²	71.9	30%	0.304	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-25.2	-171.1	-63.6	-176.5	0	0	0	116.1	K4 K27 Y34 L39	K4-L32 VanDerWaalsContact CE-O 3.32Å; K4-L32 WeakPolarHBondContact CE-O 3.32Å; K4-L32 PolarHBondContact NZ-O 3.11Å; K27-L32 HydrophobicContact CD-CD1 4.12Å; K27-L32 HydrophobicContact CG-CD1 3.58Å; K27-L32 HydrophobicContact CG-CD2 4.44Å; K27-L32 HydrophobicContact CG-CG 3.72Å; K27-L32 WeakPolarHBondContact O-CB 3.39Å; K27-L32 WeakPolarHBondContact O-CG 3.43Å; K27-L32 PolarHBondContact O-N 3.1Å; L32-Y34 PolarHBondContact O-N 3.13Å; L32-L39 HydrophobicContact CD2-CD1 4.19Å
33	P	96.9	Very high	97.4	Very high	52 Å²	52	70.2 Å²	70.2	34%	0.338	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-26.4	171.6	-24.5	36.3	0	0	0	113.1	E28 I31	E28-P33 WeakPolarHBondContact O-CD 3.12Å; E28-P33 WeakPolarHBondContact O-CG 3.02Å; I31-P33 VanDerWaalsContact C-N 3.34Å
34	Y	97.1	Very high	97.4	Very high	138 Å²	138	67.9 Å²	67.9	54%	0.541	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.3	-26.8	-170	-50.1	-76.2	0	0	0	113.4	K4 I5 L30 I31 L32	K4-Y34 WeakPolarHBondContact CA-O 3.18Å; I5-Y34 PolarHBondContact N-O 2.97Å; L30-Y34 WeakPolarHBondContact O-CD2 3.45Å; I31-Y34 PolarHBondContact O-N 3.19Å; L32-Y34 PolarHBondContact O-N 3.13Å
35	V	97.4	Very high	97.5	Very high	33 Å²	33	65.5 Å²	65.5	20%	0.2	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	133.8	-175.7	-166.3	0	0	0	0	110.2	I5 I31 L37	I5-V35 HydrophobicContact CB-CG2 4.44Å; I5-V35 CarbonylContact O-C 3.56Å; I5-V35 WeakPolarHBondContact O-CA 3.31Å; I31-V35 HydrophobicContact CG2-CB 4.36Å; I31-V35 PolarHBondContact O-N 3.2Å; V35-L37 HydrophobicContact CG1-CD1 4.47Å; V35-L37 HydrophobicContact CG1-CD2 3.9Å; V35-L37 HydrophobicContact CG1-CG 3.86Å
36	E	96.6	Very high	97.5	Very high	104 Å²	104	61.9 Å²	61.9	49%	0.486	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	119.3	170	-174.7	166.2	-164.9	0	0	108.5	K4 I5 Q6 G7	K4-E36 HydrophobicContact CB-CB 4.25Å; K4-E36 HydrophobicContact CD-CB 4.38Å; I5-E36 PolarHBondContact O-N 3.09Å; Q6-E36 PolarHBondContact NE2-OE2 3.4Å; G7-E36 WeakPolarHBondContact CA-O 3.04Å; G7-E36 PolarHBondContact N-O 3.05Å
37	L	96.2	Very high	97.5	Very high	52 Å²	52	65.4 Å²	65.4	27%	0.272	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	142.9	-174.5	-69.1	170.9	0	0	0	110.3	V10 I31 V35 L39	V10-L37 HydrophobicContact CG2-CD2 4.24Å; I31-L37 HydrophobicContact CG2-CD1 3.9Å; V35-L37 HydrophobicContact CG1-CD1 4.47Å; V35-L37 HydrophobicContact CG1-CD2 3.9Å; V35-L37 HydrophobicContact CG1-CG 3.86Å; L37-L39 HydrophobicContact CB-CD2 3.88Å; L37-L39 HydrophobicContact CB-CG 3.83Å; L37-L39 HydrophobicContact CD1-CD2 3.98Å; L37-L39 PolarHBondContact O-N 3.21Å
38	D	97	Very high	97.6	Very high	81 Å²	81	66.5 Å²	66.5	43%	0.433	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	91.5	163.9	175.7	32.2	0	0	0	108.3	S9 V10 H40	S9-D38 CarbonylContact C-O 3.56Å; S9-D38 VanDerWaalsContact CA-O 3.27Å; S9-D38 WeakPolarHBondContact CA-O 3.34Å; S9-D38 PolarHBondContact OG-OD2 3.32Å; V10-D38 PolarHBondContact N-O 2.91Å; D38-H40 IonicContact OD1-CE1 3.94Å; D38-H40 IonicContact OD1-NE2 3.31Å; D38-H40 IonicContact OD2-CE1 3.32Å; D38-H40 PolarHBondContact OD2-CE1 3.11Å; D38-H40 IonicContact OD2-NE2 2.9Å; D38-H40 PolarHBondContact OD2-NE2 3.48Å
39	L	97.3	Very high	97.7	Very high	51 Å²	51	60.9 Å²	60.9	27%	0.267	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	123.5	-175.2	-69.2	179.3	0	0	0	111.5	V10 K27 L32 L37	V10-L39 HydrophobicContact CB-CD2 4.05Å; V10-L39 HydrophobicContact CG1-CD2 4.41Å; V10-L39 WeakPolarHBondContact O-CA 3.35Å; K27-L39 HydrophobicContact CD-CD1 4.43Å; L32-L39 HydrophobicContact CD2-CD1 4.19Å; L37-L39 HydrophobicContact CB-CD2 3.88Å; L37-L39 HydrophobicContact CB-CG 3.83Å; L37-L39 HydrophobicContact CD1-CD2 3.98Å; L37-L39 PolarHBondContact O-N 3.21Å
40	H	98.2	Very high	97.7	Very high	34 Å²	34	55.7 Å²	55.7	16%	0.157	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	96.5	168.5	-53.6	-62.3	0	0	0	109.1	V10 V11 E12 D38 Y42 Y67	V10-H40 PolarHBondContact O-N 3.36Å; V11-H40 CarbonylContact C-O 3.59Å; V11-H40 WeakPolarHBondContact CA-O 3.44Å; V11-H40 HydrophobicContact CG2-CB 4.43Å; E12-H40 PolarHBondContact N-O 2.83Å; D38-H40 IonicContact OD1-CE1 3.94Å; D38-H40 IonicContact OD1-NE2 3.31Å; D38-H40 IonicContact OD2-CE1 3.32Å; D38-H40 PolarHBondContact OD2-CE1 3.11Å; D38-H40 IonicContact OD2-NE2 2.9Å; D38-H40 PolarHBondContact OD2-NE2 3.48Å; H40-Y42 HydrophobicContact CB-CE2 4.07Å; H40-Y42 WeakPolarHBondContact O-CD2 3.5Å; H40-Y67 HydrophobicContact CB-CE2 4.32Å; H40-Y67 AromaticContact CD2-CD1 3.89Å; H40-Y67 AromaticContact CD2-CD2 3.29Å; H40-Y67 WeakPolarHBondContact CD2-CD2 3.5Å; H40-Y67 AromaticContact CD2-CE1 3.89Å; H40-Y67 AromaticContact CD2-CE2 3.26Å; H40-Y67 WeakPolarHBondContact CD2-CE2 3.13Å; H40-Y67 AromaticContact CD2-CG 3.6Å; H40-Y67 AromaticContact CD2-CZ 3.56Å; H40-Y67 AromaticContact CE1-CE1 3.91Å; H40-Y67 AromaticContact CE1-CE2 3.92Å; H40-Y67 AromaticContact CE1-CZ 3.52Å; H40-Y67 AromaticContact CG-CD2 3.95Å; H40-Y67 AromaticContact CG-CE2 3.59Å; H40-Y67 AromaticContact ND1-CE2 3.98Å; H40-Y67 AromaticContact ND1-CZ 3.97Å; H40-Y67 AromaticContact NE2-CD1 3.55Å; H40-Y67 AromaticContact NE2-CD2 3.76Å; H40-Y67 AromaticContact NE2-CE1 3.26Å; H40-Y67 VanDerWaalsContact NE2-CE1 3.26Å; H40-Y67 WeakPolarHBondContact NE2-CE1 3.18Å; H40-Y67 AromaticContact NE2-CE2 3.46Å; H40-Y67 WeakPolarHBondContact NE2-CE2 3.34Å; H40-Y67 AromaticContact NE2-CG 3.79Å; H40-Y67 AromaticContact NE2-CZ 3.18Å
41	S	98	Very high	97.8	Very high	64 Å²	64	53.5 Å²	53.5	45%	0.448	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	132.6	-171.3	-55.3	0	0	0	0	113.2	E12	E12-S41 CarbonylContact O-C 3.57Å; E12-S41 WeakPolarHBondContact O-CA 3.46Å; E12-S41 WeakPolarHBondContact OE2-CB 3.37Å; E12-S41 PolarHBondContact OE2-OG 2.87Å
42	Y	98.8	Very high	97.8	Very high	58 Å²	58	52.7 Å²	52.7	23%	0.227	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	122.8	176.3	-64	-95.2	0	0	0	109.2	V11 E12 M13 Q14 H40 L44 V56 D59 A60 A63	V11-Y42 HydrophobicContact CG1-CD2 3.65Å; V11-Y42 HydrophobicContact CG1-CE2 3.81Å; E12-Y42 PolarHBondContact O-N 3.39Å; M13-Y42 CarbonylContact C-O 3.58Å; M13-Y42 WeakPolarHBondContact CA-O 3.42Å; Q14-Y42 PolarHBondContact N-O 2.87Å; H40-Y42 HydrophobicContact CB-CE2 4.07Å; H40-Y42 WeakPolarHBondContact O-CD2 3.5Å; Y42-L44 PolarHBondContact O-N 3.49Å; Y42-V56 HydrophobicContact CD1-CG2 4.23Å; Y42-D59 HydrophobicContact CD1-CB 4.22Å; Y42-D59 HydrophobicContact CE1-CB 3.84Å; Y42-A60 HydrophobicContact CD1-CB 4.02Å; Y42-A60 HydrophobicContact CD2-CB 4.13Å; Y42-A60 HydrophobicContact CG-CB 3.7Å; Y42-A63 HydrophobicContact CE2-CB 3.53Å; Y42-A63 VanDerWaalsContact OH-CB 3.25Å; Y42-A63 WeakPolarHBondContact OH-CB 3.41Å
43	D	98.6	Very high	97.9	Very high	43 Å²	43	54.5 Å²	54.5	23%	0.23	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	104	177.5	-172.1	-3.2	0	0	0	110.6	R20 G45 N48	R20-D43 IonicContact CZ-OD1 3.38Å; R20-D43 IonicContact CZ-OD2 3.89Å; R20-D43 IonicContact NH1-OD1 3.2Å; R20-D43 PolarHBondContact NH1-OD1 3.44Å; R20-D43 IonicContact NH1-OD2 2.73Å; R20-D43 PolarHBondContact NH1-OD2 2.85Å; R20-D43 IonicContact NH2-OD1 3.17Å; R20-D43 IonicContact NH2-OD2 2.76Å; R20-D43 PolarHBondContact NH2-OD2 3.35Å; D43-G45 VanDerWaalsContact C-N 3.3Å; D43-G45 WeakPolarHBondContact OD1-CA 3.43Å; D43-G45 PolarHBondContact OD1-N 2.99Å; D43-N48 HydrophobicContact CB-CB 4.28Å; D43-N48 PolarHBondContact O-ND2 2.74Å
44	L	98.7	Very high	98	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.276	C	S	.	.			trans	-93.9	14.5	175.9	-50.9	-170	0	0	0	112.9	M13 Q14 Y42 R49 V56 A60 T75 P95 I99	M13-L44 HydrophobicContact CB-CD1 3.77Å; M13-L44 HydrophobicContact CB-CG 4.05Å; M13-L44 HydrophobicContact CG-CD1 3.75Å; M13-L44 HydrophobicContact CG-CG 4.19Å; M13-L44 HydrophobicContact SD-CD1 3.96Å; Q14-L44 VanDerWaalsContact O-CB 3.31Å; Q14-L44 WeakPolarHBondContact O-CB 3.48Å; Q14-L44 PolarHBondContact O-N 2.95Å; Y42-L44 PolarHBondContact O-N 3.49Å; L44-R49 WeakPolarHBondContact O-CD 3.23Å; L44-R49 PolarHBondContact O-NE 2.94Å; L44-V56 HydrophobicContact CD2-CB 4.37Å; L44-V56 HydrophobicContact CD2-CG1 3.87Å; L44-V56 HydrophobicContact CD2-CG2 3.98Å; L44-A60 HydrophobicContact CD2-CB 4.22Å; L44-T75 HydrophobicContact CB-CG2 3.86Å; L44-P95 HydrophobicContact CD1-CB 4.41Å; L44-I99 HydrophobicContact CD1-CD1 3.98Å
45	G	98.4	Very high	98	Very high	3 Å²	3	50 Å²	50	3%	0.031	27%	0.269	C	S	.	.			trans	-54.1	144.4	169.5	0	0	0	0	0	111.2	D16 D43 E47 N48 R49	D16-G45 WeakPolarHBondContact OD1-CA 3.46Å; D43-G45 VanDerWaalsContact C-N 3.3Å; D43-G45 WeakPolarHBondContact OD1-CA 3.43Å; D43-G45 PolarHBondContact OD1-N 2.99Å; G45-E47 PolarHBondContact O-N 3.43Å; G45-N48 PolarHBondContact O-N 3.03Å; G45-N48 VanDerWaalsContact O-N 3.1Å; G45-R49 PolarHBondContact O-N 3.4Å
46	I	98.4	Very high	98.1	Very high	2 Å²	2	49 Å²	49	1%	0.01	26%	0.262	C	S	.	.	H	α-helix	trans	-56.1	-38.8	-171.4	-173	65.7	0	0	0	112.3	D16 R49 D50 I76 P78 F86 L88	D16-I46 PolarHBondContact OD1-N 3.01Å; I46-R49 PolarHBondContact O-N 3.08Å; I46-D50 WeakPolarHBondContact O-CB 3.36Å; I46-D50 PolarHBondContact O-N 2.96Å; I46-I76 HydrophobicContact CB-CB 4.46Å; I46-I76 HydrophobicContact CB-CD1 4.48Å; I46-I76 HydrophobicContact CD1-CG2 4.47Å; I46-I76 HydrophobicContact CG2-CD1 4.11Å; I46-P78 HydrophobicContact CD1-CB 4.27Å; I46-P78 HydrophobicContact CD1-CG 3.98Å; I46-F86 HydrophobicContact CG2-CD1 3.61Å; I46-F86 HydrophobicContact CG2-CD2 4.34Å; I46-F86 HydrophobicContact CG2-CE1 3.64Å; I46-F86 HydrophobicContact CG2-CE2 4.36Å; I46-F86 HydrophobicContact CG2-CG 3.98Å; I46-F86 HydrophobicContact CG2-CZ 4.04Å; I46-L88 HydrophobicContact CD1-CD1 3.82Å; I46-L88 HydrophobicContact CD1-CD2 4.31Å; I46-L88 HydrophobicContact CG1-CD1 3.91Å; I46-L88 HydrophobicContact CG1-CD2 3.77Å
47	E	98.1	Very high	98.2	Very high	146 Å²	146	44 Å²	44	68%	0.682	24%	0.239	S	C	*	.	H	α-helix	trans	-66.8	-43	178.7	-62.2	-179.4	120.4	0	0	112	G45 D50 A51 F86	G45-E47 PolarHBondContact O-N 3.43Å; E47-D50 PolarHBondContact O-N 2.76Å; E47-A51 WeakPolarHBondContact O-CB 3.49Å; E47-A51 PolarHBondContact O-N 3.06Å; E47-F86 HydrophobicContact CG-CD1 4.28Å
48	N	98.6	Very high	98.3	Very high	53 Å²	53	46.1 Å²	46.1	28%	0.283	25%	0.246	S	C	.	.	H	α-helix	trans	-72.1	-34.5	178.3	-170.3	52.4	0	0	0	112	D43 G45 A51 T52	D43-N48 HydrophobicContact CB-CB 4.28Å; D43-N48 PolarHBondContact O-ND2 2.74Å; G45-N48 PolarHBondContact O-N 3.03Å; G45-N48 VanDerWaalsContact O-N 3.1Å; N48-A51 PolarHBondContact O-N 2.67Å; N48-T52 WeakPolarHBondContact O-CB 3.19Å; N48-T52 WeakPolarHBondContact O-CG2 3.38Å; N48-T52 PolarHBondContact O-N 3.33Å; N48-T52 PolarHBondContact O-OG1 3.45Å
49	R	98.6	Very high	98.4	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-62.2	-44.7	170.3	-72.9	-169.3	-63.1	126.8	-1.7	111.1	L44 G45 I46 T52 N53 D54 V56 T57 I76 P95	L44-R49 WeakPolarHBondContact O-CD 3.23Å; L44-R49 PolarHBondContact O-NE 2.94Å; G45-R49 PolarHBondContact O-N 3.4Å; I46-R49 PolarHBondContact O-N 3.08Å; R49-T52 PolarHBondContact O-N 3.34Å; R49-T52 PolarHBondContact O-OG1 2.8Å; R49-N53 PolarHBondContact O-N 2.9Å; R49-N53 VanDerWaalsContact O-N 3.14Å; R49-D54 WeakPolarHBondContact CD-OD1 3.3Å; R49-D54 PolarHBondContact O-N 2.89Å; R49-V56 HydrophobicContact CG-CG1 3.75Å; R49-T57 WeakPolarHBondContact CD-OG1 3.37Å; R49-I76 PolarHBondContact NH2-O 3.4Å; R49-P95 VanDerWaalsContact NH1-CG 3.25Å
50	D	98.5	Very high	98.4	Very high	22 Å²	22	43.2 Å²	43.2	12%	0.118	23%	0.231	C	C	.	.	H	α-helix	trans	-62.2	-45.8	175.6	-168.7	80.8	0	0	0	112	I46 E47 T52 N53 L88 K89 W92	I46-D50 WeakPolarHBondContact O-CB 3.36Å; I46-D50 PolarHBondContact O-N 2.96Å; E47-D50 PolarHBondContact O-N 2.76Å; D50-T52 VanDerWaalsContact C-N 3.3Å; D50-T52 PolarHBondContact O-N 3.06Å; D50-N53 PolarHBondContact O-N 3.31Å; D50-N53 VanDerWaalsContact O-N 3.17Å; D50-L88 HydrophobicContact CB-CD2 3.93Å; D50-L88 WeakPolarHBondContact OD1-CA 3.28Å; D50-K89 WeakPolarHBondContact O-CE 3.46Å; D50-K89 PolarHBondContact O-NZ 2.85Å; D50-K89 PolarHBondContact OD1-N 2.78Å; D50-K89 WeakPolarHBondContact OD2-CG 3.48Å; D50-W92 PolarHBondContact OD1-NE1 2.91Å
51	A	98.6	Very high	98.4	Very high	64 Å²	64	41.6 Å²	41.6	53%	0.529	22%	0.223	S	C	.	.	H	α-helix	trans	-57	-42	178.2	0	0	0	0	0	112.5	E47 N48 K89	E47-A51 WeakPolarHBondContact O-CB 3.49Å; E47-A51 PolarHBondContact O-N 3.06Å; N48-A51 PolarHBondContact O-N 2.67Å; A51-K89 PolarHBondContact O-NZ 3.12Å
52	T	98.6	Very high	98.4	Very high	48 Å²	48	42.9 Å²	42.9	29%	0.294	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	6.9	-177.7	61.2	0	0	0	0	114.3	N48 R49 D50 D54 Q55 V56	N48-T52 WeakPolarHBondContact O-CB 3.19Å; N48-T52 WeakPolarHBondContact O-CG2 3.38Å; N48-T52 PolarHBondContact O-N 3.33Å; N48-T52 PolarHBondContact O-OG1 3.45Å; R49-T52 PolarHBondContact O-N 3.34Å; R49-T52 PolarHBondContact O-OG1 2.8Å; D50-T52 VanDerWaalsContact C-N 3.3Å; D50-T52 PolarHBondContact O-N 3.06Å; T52-D54 PolarHBondContact O-N 3.31Å; T52-Q55 WeakPolarHBondContact O-CB 3.28Å; T52-Q55 PolarHBondContact O-N 2.91Å; T52-Q55 VanDerWaalsContact O-N 3.09Å; T52-V56 HydrophobicContact CG2-CB 4.38Å; T52-V56 WeakPolarHBondContact OG1-CG1 3.41Å
53	N	98.2	Very high	98.4	Very high	96 Å²	96	40.4 Å²	40.4	51%	0.513	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	40.2	-172.7	-51.9	-51.6	0	0	0	112.8	R49 D50 Q55 K89 W92	R49-N53 PolarHBondContact O-N 2.9Å; R49-N53 VanDerWaalsContact O-N 3.14Å; D50-N53 PolarHBondContact O-N 3.31Å; D50-N53 VanDerWaalsContact O-N 3.17Å; N53-Q55 PolarHBondContact O-N 3Å; N53-K89 PolarHBondContact OD1-NZ 2.92Å; N53-W92 HydrophobicContact CB-CH2 3.76Å; N53-W92 HydrophobicContact CB-CZ3 4.4Å
54	D	97.8	Very high	98.4	Very high	12 Å²	12	39.1 Å²	39.1	6%	0.064	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.8	15.1	-177.2	-160	43.2	0	0	0	114.8	R49 T52 V56 T57 W92	R49-D54 WeakPolarHBondContact CD-OD1 3.3Å; R49-D54 PolarHBondContact O-N 2.89Å; T52-D54 PolarHBondContact O-N 3.31Å; D54-V56 VanDerWaalsContact C-N 3.34Å; D54-V56 PolarHBondContact O-N 2.88Å; D54-T57 WeakPolarHBondContact O-CB 3.1Å; D54-T57 PolarHBondContact O-N 2.87Å; D54-T57 WeakPolarHBondContact OD1-CB 3.47Å; D54-T57 PolarHBondContact OD1-OG1 3.28Å; D54-W92 HydrophobicContact CB-CD2 4.13Å; D54-W92 HydrophobicContact CB-CE3 3.52Å; D54-W92 HydrophobicContact CB-CZ3 3.85Å
55	Q	98.5	Very high	98.3	Very high	84 Å²	84	44.3 Å²	44.3	39%	0.393	23%	0.229	S	C	.	.	H	α-helix	trans	-66	-36.7	177.6	-172.5	56.2	44.1	0	0	111.9	T52 N53 T57 K58 D59	T52-Q55 WeakPolarHBondContact O-CB 3.28Å; T52-Q55 PolarHBondContact O-N 2.91Å; T52-Q55 VanDerWaalsContact O-N 3.09Å; N53-Q55 PolarHBondContact O-N 3Å; Q55-T57 PolarHBondContact O-N 3.34Å; Q55-T57 VanDerWaalsContact O-N 3.13Å; Q55-K58 WeakPolarHBondContact O-CB 3.34Å; Q55-K58 PolarHBondContact O-N 2.93Å; Q55-D59 PolarHBondContact NE2-OD1 3.42Å; Q55-D59 VanDerWaalsContact O-CG 3.28Å; Q55-D59 PolarHBondContact O-N 3.45Å
56	V	98.7	Very high	98.3	Very high	12 Å²	12	51.1 Å²	51.1	7%	0.073	26%	0.258	C	S	.	.	H	α-helix	trans	-56.3	-32.8	178	68.1	0	0	0	0	112.8	Y42 L44 R49 T52 D54 D59 A60	Y42-V56 HydrophobicContact CD1-CG2 4.23Å; L44-V56 HydrophobicContact CD2-CB 4.37Å; L44-V56 HydrophobicContact CD2-CG1 3.87Å; L44-V56 HydrophobicContact CD2-CG2 3.98Å; R49-V56 HydrophobicContact CG-CG1 3.75Å; T52-V56 HydrophobicContact CG2-CB 4.38Å; T52-V56 WeakPolarHBondContact OG1-CG1 3.41Å; D54-V56 VanDerWaalsContact C-N 3.34Å; D54-V56 PolarHBondContact O-N 2.88Å; V56-D59 PolarHBondContact O-N 3.09Å; V56-A60 WeakPolarHBondContact O-CB 3.49Å; V56-A60 PolarHBondContact O-N 3.13Å
57	T	98.6	Very high	98.3	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-66.3	-40	176.7	-59.9	0	0	0	0	111.9	R49 D54 Q55 A61 P95 T98 I99	R49-T57 WeakPolarHBondContact CD-OG1 3.37Å; D54-T57 WeakPolarHBondContact O-CB 3.1Å; D54-T57 PolarHBondContact O-N 2.87Å; D54-T57 WeakPolarHBondContact OD1-CB 3.47Å; D54-T57 PolarHBondContact OD1-OG1 3.28Å; Q55-T57 PolarHBondContact O-N 3.34Å; Q55-T57 VanDerWaalsContact O-N 3.13Å; T57-A61 PolarHBondContact O-N 3.19Å; T57-P95 HydrophobicContact CG2-CB 3.87Å; T57-T98 HydrophobicContact CG2-CG2 3.74Å; T57-I99 HydrophobicContact CG2-CG1 4.28Å
58	K	98.3	Very high	98.2	Very high	95 Å²	95	53.3 Å²	53.3	41%	0.413	27%	0.27	S	S	.	.	H	α-helix	trans	-72.4	-41.7	177.2	-62.3	177.6	-172.4	164.9	0	110.8	Q55 A60 A61 E62 T98 I102	Q55-K58 WeakPolarHBondContact O-CB 3.34Å; Q55-K58 PolarHBondContact O-N 2.93Å; K58-A60 VanDerWaalsContact C-N 3.3Å; K58-A60 PolarHBondContact O-N 3.5Å; K58-A61 WeakPolarHBondContact O-CB 3.32Å; K58-A61 PolarHBondContact O-N 3.17Å; K58-A61 VanDerWaalsContact O-N 3.09Å; K58-E62 PolarHBondContact O-N 3.15Å; K58-T98 HydrophobicContact CG-CG2 4.12Å; K58-I102 HydrophobicContact CB-CD1 4.27Å; K58-I102 HydrophobicContact CG-CD1 4.21Å
59	D	98.6	Very high	98.2	Very high	71 Å²	71	54.3 Å²	54.3	38%	0.38	28%	0.278	S	S	.	.	H	α-helix	trans	-61.6	-41.2	178.8	-60.9	-18	0	0	0	110.9	Y42 Q55 V56 A61 E62 A63	Y42-D59 HydrophobicContact CD1-CB 4.22Å; Y42-D59 HydrophobicContact CE1-CB 3.84Å; Q55-D59 PolarHBondContact NE2-OD1 3.42Å; Q55-D59 VanDerWaalsContact O-CG 3.28Å; Q55-D59 PolarHBondContact O-N 3.45Å; V56-D59 PolarHBondContact O-N 3.09Å; D59-A61 VanDerWaalsContact C-N 3.35Å; D59-A61 PolarHBondContact O-N 2.91Å; D59-E62 PolarHBondContact O-N 3.14Å; D59-A63 WeakPolarHBondContact O-CB 3.33Å; D59-A63 PolarHBondContact O-N 3.1Å
60	A	98.6	Very high	98.2	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-61	-41.9	173.2	0	0	0	0	0	112.1	M13 Y42 L44 V56 K58 A63 I64	M13-A60 HydrophobicContact CG-CB 3.83Å; M13-A60 HydrophobicContact SD-CB 4.1Å; Y42-A60 HydrophobicContact CD1-CB 4.02Å; Y42-A60 HydrophobicContact CD2-CB 4.13Å; Y42-A60 HydrophobicContact CG-CB 3.7Å; L44-A60 HydrophobicContact CD2-CB 4.22Å; V56-A60 WeakPolarHBondContact O-CB 3.49Å; V56-A60 PolarHBondContact O-N 3.13Å; K58-A60 VanDerWaalsContact C-N 3.3Å; K58-A60 PolarHBondContact O-N 3.5Å; A60-A63 WeakPolarHBondContact O-CB 3.36Å; A60-A63 PolarHBondContact O-N 3.42Å; A60-I64 VanDerWaalsContact O-CG1 3.31Å; A60-I64 WeakPolarHBondContact O-CG1 3.46Å; A60-I64 PolarHBondContact O-N 3.04Å
61	A	98	Very high	98.1	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-66	-42.3	178	0	0	0	0	0	112.5	T57 K58 D59 A63 I64 K65 I99 I102	T57-A61 PolarHBondContact O-N 3.19Å; K58-A61 WeakPolarHBondContact O-CB 3.32Å; K58-A61 PolarHBondContact O-N 3.17Å; K58-A61 VanDerWaalsContact O-N 3.09Å; D59-A61 VanDerWaalsContact C-N 3.35Å; D59-A61 PolarHBondContact O-N 2.91Å; A61-A63 VanDerWaalsContact C-N 3.33Å; A61-I64 PolarHBondContact O-N 3Å; A61-K65 PolarHBondContact O-N 2.99Å; A61-K65 VanDerWaalsContact O-N 3.17Å; A61-I99 HydrophobicContact CB-CB 4.45Å; A61-I99 HydrophobicContact CB-CG1 4.15Å; A61-I99 HydrophobicContact CB-CG2 4.44Å; A61-I102 HydrophobicContact CB-CB 3.89Å; A61-I102 HydrophobicContact CB-CD1 3.66Å; A61-I102 HydrophobicContact CB-CG1 4.38Å; A61-I102 HydrophobicContact CB-CG2 3.74Å
62	E	98.3	Very high	98.1	Very high	91 Å²	91	57.2 Å²	57.2	43%	0.425	29%	0.293	S	S	.	.	H	α-helix	trans	-68.1	-33.3	175.1	-68	-59	153.3	0	0	111.9	K58 D59 I64 K65 K66 I102	K58-E62 PolarHBondContact O-N 3.15Å; D59-E62 PolarHBondContact O-N 3.14Å; E62-I64 VanDerWaalsContact C-N 3.32Å; E62-I64 PolarHBondContact O-N 3.4Å; E62-K65 WeakPolarHBondContact O-CB 3.28Å; E62-K65 PolarHBondContact O-N 3.2Å; E62-K65 IonicContact OE1-NZ 2.86Å; E62-K65 PolarHBondContact OE1-NZ 2.87Å; E62-K65 WeakPolarHBondContact OE2-CD 3.46Å; E62-K65 IonicContact OE2-NZ 2.61Å; E62-K65 PolarHBondContact OE2-NZ 2.73Å; E62-K66 PolarHBondContact O-N 2.88Å; E62-I102 WeakPolarHBondContact OE1-CG2 3.35Å
63	A	98.4	Very high	98.1	Very high	6 Å²	6	55.2 Å²	55.2	5%	0.05	28%	0.28	C	S	.	.	H	α-helix	trans	-62.4	-39.9	171.6	0	0	0	0	0	111.8	V11 Y42 D59 A60 A61 K65 K66 Y67	V11-A63 HydrophobicContact CG1-CB 4.16Å; V11-A63 HydrophobicContact CG2-CB 3.82Å; Y42-A63 HydrophobicContact CE2-CB 3.53Å; Y42-A63 VanDerWaalsContact OH-CB 3.25Å; Y42-A63 WeakPolarHBondContact OH-CB 3.41Å; D59-A63 WeakPolarHBondContact O-CB 3.33Å; D59-A63 PolarHBondContact O-N 3.1Å; A60-A63 WeakPolarHBondContact O-CB 3.36Å; A60-A63 PolarHBondContact O-N 3.42Å; A61-A63 VanDerWaalsContact C-N 3.33Å; A63-K65 VanDerWaalsContact C-N 3.29Å; A63-K65 PolarHBondContact O-N 3.45Å; A63-K66 WeakPolarHBondContact O-CB 3.33Å; A63-K66 PolarHBondContact O-N 3.36Å; A63-K66 VanDerWaalsContact O-N 3.1Å; A63-Y67 HydrophobicContact CB-CD2 4.32Å; A63-Y67 WeakPolarHBondContact O-CD2 3.48Å; A63-Y67 PolarHBondContact O-N 3.44Å
64	I	98.4	Very high	98.1	Very high	16 Å²	16	53.4 Å²	53.4	8%	0.082	28%	0.278	C	S	.	.	H	α-helix	trans	-62.6	-39.1	174.8	-64.9	162.8	0	0	0	110.4	V11 M13 A60 A61 E62 K66 Y67 N68 I99 L103	V11-I64 HydrophobicContact CB-CG1 3.92Å; V11-I64 HydrophobicContact CG1-CG1 3.98Å; V11-I64 HydrophobicContact CG2-CG1 4.15Å; M13-I64 HydrophobicContact CE-CD1 3.45Å; M13-I64 VanDerWaalsContact CE-CD1 3.45Å; M13-I64 HydrophobicContact CE-CG1 4.24Å; M13-I64 HydrophobicContact SD-CD1 3.92Å; A60-I64 VanDerWaalsContact O-CG1 3.31Å; A60-I64 WeakPolarHBondContact O-CG1 3.46Å; A60-I64 PolarHBondContact O-N 3.04Å; A61-I64 PolarHBondContact O-N 3Å; E62-I64 VanDerWaalsContact C-N 3.32Å; E62-I64 PolarHBondContact O-N 3.4Å; I64-K66 VanDerWaalsContact C-N 3.25Å; I64-K66 PolarHBondContact O-N 3.22Å; I64-Y67 PolarHBondContact O-N 3.42Å; I64-N68 WeakPolarHBondContact O-CA 3.35Å; I64-N68 PolarHBondContact O-N 3.24Å; I64-I99 HydrophobicContact CD1-CG2 4.2Å; I64-L103 HydrophobicContact CB-CD1 4.29Å; I64-L103 HydrophobicContact CB-CD2 4.12Å; I64-L103 HydrophobicContact CD1-CD1 4.06Å; I64-L103 HydrophobicContact CG2-CD1 3.77Å; I64-L103 HydrophobicContact CG2-CD2 3.95Å
65	K	97	Very high	98.1	Very high	110 Å²	110	53.8 Å²	53.8	48%	0.478	28%	0.281	S	S	.	.	H	α-helix	trans	-63.2	-33.8	174.7	-68.9	170.4	61.3	-159.9	0	112.3	A61 E62 A63 I102 L103	A61-K65 PolarHBondContact O-N 2.99Å; A61-K65 VanDerWaalsContact O-N 3.17Å; E62-K65 WeakPolarHBondContact O-CB 3.28Å; E62-K65 PolarHBondContact O-N 3.2Å; E62-K65 IonicContact OE1-NZ 2.86Å; E62-K65 PolarHBondContact OE1-NZ 2.87Å; E62-K65 WeakPolarHBondContact OE2-CD 3.46Å; E62-K65 IonicContact OE2-NZ 2.61Å; E62-K65 PolarHBondContact OE2-NZ 2.73Å; A63-K65 VanDerWaalsContact C-N 3.29Å; A63-K65 PolarHBondContact O-N 3.45Å; K65-I102 HydrophobicContact CD-CG2 3.87Å; K65-L103 HydrophobicContact CD-CD2 4.07Å; K65-L103 HydrophobicContact CG-CD2 3.45Å; K65-L103 VanDerWaalsContact CG-CD2 3.45Å
66	K	98	Very high	98.1	Very high	145 Å²	145	50.3 Å²	50.3	63%	0.63	27%	0.266	S	S	*	.	H	α-helix	trans	-74.2	-42.9	177.4	-175.6	179.7	176.7	-164.8	0	112.9	E62 A63 I64	E62-K66 PolarHBondContact O-N 2.88Å; A63-K66 WeakPolarHBondContact O-CB 3.33Å; A63-K66 PolarHBondContact O-N 3.36Å; A63-K66 VanDerWaalsContact O-N 3.1Å; I64-K66 VanDerWaalsContact C-N 3.25Å; I64-K66 PolarHBondContact O-N 3.22Å
67	Y	97.9	Very high	98	Very high	58 Å²	58	53.1 Å²	53.1	23%	0.227	28%	0.283	C	S	.	.	H	α-helix	trans	-108	1.3	-170.9	-57.3	-66.5	0	0	0	114.3	V11 H40 A63 I64 V69	V11-Y67 HydrophobicContact CG2-CD2 3.89Å; V11-Y67 HydrophobicContact CG2-CG 4.47Å; H40-Y67 HydrophobicContact CB-CE2 4.32Å; H40-Y67 AromaticContact CD2-CD1 3.89Å; H40-Y67 AromaticContact CD2-CD2 3.29Å; H40-Y67 WeakPolarHBondContact CD2-CD2 3.5Å; H40-Y67 AromaticContact CD2-CE1 3.89Å; H40-Y67 AromaticContact CD2-CE2 3.26Å; H40-Y67 WeakPolarHBondContact CD2-CE2 3.13Å; H40-Y67 AromaticContact CD2-CG 3.6Å; H40-Y67 AromaticContact CD2-CZ 3.56Å; H40-Y67 AromaticContact CE1-CE1 3.91Å; H40-Y67 AromaticContact CE1-CE2 3.92Å; H40-Y67 AromaticContact CE1-CZ 3.52Å; H40-Y67 AromaticContact CG-CD2 3.95Å; H40-Y67 AromaticContact CG-CE2 3.59Å; H40-Y67 AromaticContact ND1-CE2 3.98Å; H40-Y67 AromaticContact ND1-CZ 3.97Å; H40-Y67 AromaticContact NE2-CD1 3.55Å; H40-Y67 AromaticContact NE2-CD2 3.76Å; H40-Y67 AromaticContact NE2-CE1 3.26Å; H40-Y67 VanDerWaalsContact NE2-CE1 3.26Å; H40-Y67 WeakPolarHBondContact NE2-CE1 3.18Å; H40-Y67 AromaticContact NE2-CE2 3.46Å; H40-Y67 WeakPolarHBondContact NE2-CE2 3.34Å; H40-Y67 AromaticContact NE2-CG 3.79Å; H40-Y67 AromaticContact NE2-CZ 3.18Å; A63-Y67 HydrophobicContact CB-CD2 4.32Å; A63-Y67 WeakPolarHBondContact O-CD2 3.48Å; A63-Y67 PolarHBondContact O-N 3.44Å; I64-Y67 PolarHBondContact O-N 3.42Å; Y67-V69 PolarHBondContact O-N 3.47Å
68	N	96.4	Very high	97.8	Very high	136 Å²	136	53.4 Å²	53.4	73%	0.727	29%	0.285	S	S	*	.	S	Bend	trans	65.8	-31.7	177.5	-54.8	-64.8	0	0	0	116.9	I64	I64-N68 WeakPolarHBondContact O-CA 3.35Å; I64-N68 PolarHBondContact O-N 3.24Å
69	V	97.9	Very high	97.5	Very high	74 Å²	74	52.2 Å²	52.2	45%	0.448	28%	0.283	S	S	.	.			trans	-115	125.2	-173.5	-176.4	0	0	0	0	110.9	V10 V11 Y67	V10-V69 HydrophobicContact CG1-CG1 4.37Å; V10-V69 HydrophobicContact CG2-CG1 4.31Å; V11-V69 PolarHBondContact N-O 3.02Å; Y67-V69 PolarHBondContact O-N 3.47Å
70	G	98	Very high	97.3	Very high	34 Å²	34	55.5 Å²	55.5	35%	0.351	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	137.5	174	0	0	0	0	0	112	V11	V11-G70 CarbonylContact O-C 3.6Å; V11-G70 WeakPolarHBondContact O-CA 3.34Å
71	V	98.1	Very high	97.2	Very high	58 Å²	58	63.2 Å²	63.2	35%	0.352	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	128.2	172.5	-61.3	0	0	0	0	108.9	V10 V11 M13 W23	V10-V71 HydrophobicContact CG1-CG1 4.06Å; V10-V71 HydrophobicContact CG1-CG2 3.79Å; V11-V71 PolarHBondContact O-N 3.35Å; M13-V71 PolarHBondContact N-O 2.92Å; W23-V71 HydrophobicContact CH2-CB 3.9Å; W23-V71 HydrophobicContact CH2-CG2 3.83Å; W23-V71 HydrophobicContact CZ2-CB 4.4Å; W23-V71 HydrophobicContact CZ2-CG2 3.81Å
72	K	98.6	Very high	97.1	Very high	56 Å²	56	66 Å²	66	24%	0.243	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	128.2	-167.9	-179.4	170.5	-175.7	-58.6	0	112.4	M13 T75 N96 I99	M13-K72 HydrophobicContact CB-CB 4.09Å; M13-K72 HydrophobicContact CB-CG 3.95Å; M13-K72 HydrophobicContact CE-CB 3.74Å; M13-K72 HydrophobicContact CE-CG 4.45Å; M13-K72 HydrophobicContact SD-CB 4.18Å; M13-K72 HydrophobicContact SD-CD 4.05Å; M13-K72 HydrophobicContact SD-CG 4.25Å; K72-T75 PolarHBondContact NZ-OG1 3.44Å; K72-N96 WeakPolarHBondContact CE-OD1 3.29Å; K72-N96 PolarHBondContact NZ-OD1 2.88Å; K72-I99 HydrophobicContact CD-CD1 3.83Å
73	C	98.3	Very high	97	Very high	6 Å²	6	63.4 Å²	63.4	4%	0.041	33%	0.33	C	S	.	.			trans	-77.7	154.7	167.1	-171.5	0	0	0	0	111.5	M13 T19 W23	M13-C73 WeakPolarHBondContact O-CB 3.38Å; M13-C73 PolarHBondContact O-N 3.33Å; T19-C73 PolarHBondContact O-SG 3.07Å; T19-C73 VanDerWaalsContact O-SG 3.34Å; W23-C73 HydrophobicContact CB-CB 4.43Å; W23-C73 HydrophobicContact CD2-CB 3.82Å; W23-C73 HydrophobicContact CE3-CB 3.8Å; W23-C73 HydrophobicContact CG-CB 4.1Å; W23-C73 HydrophobicContact CZ3-CB 4.37Å
74	A	98.1	Very high	96.9	Very high	57 Å²	57	70.7 Å²	70.7	47%	0.471	36%	0.363	S	S	.	.			trans	-66.6	143.2	178.5	0	0	0	0	0	110.9	G15 D16 T19	G15-A74 CarbonylContact C-O 3.59Å; G15-A74 WeakPolarHBondContact CA-O 3.45Å; D16-A74 PolarHBondContact N-O 2.86Å; T19-A74 HydrophobicContact CG2-CB 3.95Å
75	T	98.3	Very high	96.8	Very high	20 Å²	20	75.2 Å²	75.2	12%	0.123	38%	0.384	C	S	.	.			trans	-132.5	144.5	-172.5	50.7	0	0	0	0	110.2	D16 L44 K72	D16-T75 VanDerWaalsContact OD2-CA 3.23Å; D16-T75 WeakPolarHBondContact OD2-CA 3.4Å; L44-T75 HydrophobicContact CB-CG2 3.86Å; K72-T75 PolarHBondContact NZ-OG1 3.44Å
76	I	97.6	Very high	96.8	Very high	12 Å²	12	72.9 Å²	72.9	6%	0.062	37%	0.374	C	S	.	.			trans	-62.4	136.7	173.2	-69.1	165.8	0	0	0	109.5	D16 E17 I46 R49 R82 F86	D16-I76 HydrophobicContact CB-CB 4.49Å; D16-I76 HydrophobicContact CB-CD1 3.81Å; D16-I76 HydrophobicContact CB-CG1 3.74Å; D16-I76 PolarHBondContact OD2-N 2.89Å; E17-I76 HydrophobicContact CG-CD1 3.99Å; E17-I76 HydrophobicContact CG-CG1 4.41Å; I46-I76 HydrophobicContact CB-CB 4.46Å; I46-I76 HydrophobicContact CB-CD1 4.48Å; I46-I76 HydrophobicContact CD1-CG2 4.47Å; I46-I76 HydrophobicContact CG2-CD1 4.11Å; R49-I76 PolarHBondContact NH2-O 3.4Å; I76-R82 HydrophobicContact CG2-CB 4.44Å; I76-R82 HydrophobicContact CG2-CG 4.09Å; I76-F86 HydrophobicContact CD1-CE2 3.89Å; I76-F86 HydrophobicContact CD1-CZ 3.85Å
77	T	96.4	Very high	96.8	Very high	71 Å²	71	74.8 Å²	74.8	44%	0.436	38%	0.382	S	S	.	.			trans	-107	109.2	159.4	-59.1	0	0	0	0	105.5	S94	T77-S94 WeakPolarHBondContact OG1-CB 3.19Å; T77-S94 PolarHBondContact OG1-OG 2.93Å
78	P	95.2	Very high	96.8	Very high	6 Å²	6	72.7 Å²	72.7	4%	0.039	38%	0.375	C	S	.	.			trans	-69.6	136.8	-169	28.8	-35.7	0	0	0	111.2	I46 R82 V83 L88 M91 W92	I46-P78 HydrophobicContact CD1-CB 4.27Å; I46-P78 HydrophobicContact CD1-CG 3.98Å; P78-R82 HydrophobicContact CB-CB 3.74Å; P78-V83 HydrophobicContact CB-CG2 4.49Å; P78-L88 HydrophobicContact CB-CD1 3.51Å; P78-L88 HydrophobicContact CG-CD1 3.94Å; P78-M91 HydrophobicContact CG-CG 4.49Å; P78-M91 WeakPolarHBondContact O-CG 3.42Å; P78-W92 WeakPolarHBondContact CD-O 3.46Å; P78-W92 HydrophobicContact CG-CB 4.11Å; P78-W92 WeakPolarHBondContact CG-O 3.26Å
79	D	91.9	Very high	96.9	Very high	70 Å²	70	72 Å²	72	37%	0.374	37%	0.365	S	S	.	.			trans	-101.3	-173.3	161.6	62.8	12.4	0	0	0	109.3	K81 R82 V83	D79-K81 PolarHBondContact O-N 2.94Å; D79-K81 WeakPolarHBondContact OD1-CB 3.41Å; D79-K81 PolarHBondContact OD1-N 3.27Å; D79-K81 VanDerWaalsContact OD1-N 3.08Å; D79-R82 PolarHBondContact O-N 3.47Å; D79-R82 VanDerWaalsContact O-N 3.17Å; D79-R82 WeakPolarHBondContact OD1-CG 3.12Å; D79-R82 PolarHBondContact OD1-N 2.97Å; D79-V83 WeakPolarHBondContact O-CG2 3.44Å; D79-V83 PolarHBondContact O-N 3.09Å
80	E	93.6	Very high	96.7	Very high	140 Å²	140	73.7 Å²	73.7	65%	0.654	37%	0.368	S	S	*	.	H	α-helix	trans	-57	-37.4	179.8	-64.4	81	-178.5	0	0	112.3	V83 E84 M91	E80-V83 PolarHBondContact O-N 2.96Å; E80-E84 PolarHBondContact O-N 3.36Å; E80-E84 VanDerWaalsContact O-N 3.16Å; E80-M91 HydrophobicContact CG-CE 3.82Å; E80-M91 WeakPolarHBondContact OE1-CE 3.47Å
81	K	96.6	Very high	96.5	Very high	161 Å²	161	76.5 Å²	76.5	70%	0.7	37%	0.374	S	S	*	.	H	α-helix	trans	-69.7	-41	179.3	-67.1	-178	178.4	178.3	0	111.4	D79 V83 E84 E85	D79-K81 PolarHBondContact O-N 2.94Å; D79-K81 WeakPolarHBondContact OD1-CB 3.41Å; D79-K81 PolarHBondContact OD1-N 3.27Å; D79-K81 VanDerWaalsContact OD1-N 3.08Å; K81-V83 VanDerWaalsContact C-N 3.31Å; K81-E84 PolarHBondContact O-N 3.48Å; K81-E85 WeakPolarHBondContact O-CB 3.36Å; K81-E85 PolarHBondContact O-N 3.42Å
82	R	96.1	Very high	96.4	Very high	60 Å²	60	74.7 Å²	74.7	23%	0.226	36%	0.36	C	S	.	.	H	α-helix	trans	-67.8	-32.1	175.8	-64.1	-52	-167.6	154.5	9.7	112	E17 I76 P78 D79 E84 E85 F86	E17-R82 IonicContact OE1-CZ 2.94Å; E17-R82 IonicContact OE1-NH1 2.94Å; E17-R82 PolarHBondContact OE1-NH1 3.25Å; E17-R82 IonicContact OE1-NH2 2.84Å; E17-R82 PolarHBondContact OE1-NH2 2.86Å; E17-R82 IonicContact OE2-NH2 3.7Å; I76-R82 HydrophobicContact CG2-CB 4.44Å; I76-R82 HydrophobicContact CG2-CG 4.09Å; P78-R82 HydrophobicContact CB-CB 3.74Å; D79-R82 PolarHBondContact O-N 3.47Å; D79-R82 VanDerWaalsContact O-N 3.17Å; D79-R82 WeakPolarHBondContact OD1-CG 3.12Å; D79-R82 PolarHBondContact OD1-N 2.97Å; R82-E84 VanDerWaalsContact C-N 3.34Å; R82-E85 WeakPolarHBondContact CD-OE2 3.31Å; R82-E85 IonicContact CZ-OE2 3.53Å; R82-E85 IonicContact NE-OE2 3.5Å; R82-E85 VanDerWaalsContact NH1-CD 3.33Å; R82-E85 IonicContact NH1-OE1 3.36Å; R82-E85 PolarHBondContact NH1-OE1 2.79Å; R82-E85 VanDerWaalsContact NH1-OE1 3.17Å; R82-E85 IonicContact NH1-OE2 3.61Å; R82-E85 PolarHBondContact NH1-OE2 3.2Å; R82-F86 WeakPolarHBondContact O-CD2 3.36Å; R82-F86 PolarHBondContact O-N 3.48Å
83	V	95.9	Very high	96.1	Very high	36 Å²	36	79.9 Å²	79.9	22%	0.218	38%	0.383	C	S	.	.	H	α-helix	trans	-61.2	-44.4	171.8	171.8	0	0	0	0	110.7	P78 D79 E80 K81 K87 L88 M91	P78-V83 HydrophobicContact CB-CG2 4.49Å; D79-V83 WeakPolarHBondContact O-CG2 3.44Å; D79-V83 PolarHBondContact O-N 3.09Å; E80-V83 PolarHBondContact O-N 2.96Å; K81-V83 VanDerWaalsContact C-N 3.31Å; V83-K87 CarbonylContact O-C 3.56Å; V83-K87 WeakPolarHBondContact O-CA 3.47Å; V83-K87 PolarHBondContact O-N 2.96Å; V83-L88 HydrophobicContact CB-CB 4.47Å; V83-L88 HydrophobicContact CG1-CB 4.3Å; V83-L88 HydrophobicContact CG2-CB 4.35Å; V83-L88 HydrophobicContact CG2-CD1 4.18Å; V83-L88 PolarHBondContact O-N 2.67Å; V83-M91 HydrophobicContact CG2-CB 4.04Å; V83-M91 HydrophobicContact CG2-CG 4.41Å
84	E	96.9	Very high	95.9	Very high	158 Å²	158	81.2 Å²	81.2	74%	0.738	39%	0.392	S	S	*	.	H	α-helix	trans	-67.3	-49	176.4	-172.9	179.5	-179.6	0	0	112.2	E80 K81 R82 F86 K87	E80-E84 PolarHBondContact O-N 3.36Å; E80-E84 VanDerWaalsContact O-N 3.16Å; K81-E84 PolarHBondContact O-N 3.48Å; R82-E84 VanDerWaalsContact C-N 3.34Å; E84-F86 PolarHBondContact O-N 3.36Å; E84-K87 PolarHBondContact O-N 3.3Å
85	E	97.1	Very high	95.8	Very high	112 Å²	112	78.5 Å²	78.5	52%	0.523	37%	0.37	S	S	.	.	H	α-helix	trans	-56	-48	-178.4	-178.6	-175.4	179	0	0	112.2	K81 R82	K81-E85 WeakPolarHBondContact O-CB 3.36Å; K81-E85 PolarHBondContact O-N 3.42Å; R82-E85 WeakPolarHBondContact CD-OE2 3.31Å; R82-E85 IonicContact CZ-OE2 3.53Å; R82-E85 IonicContact NE-OE2 3.5Å; R82-E85 VanDerWaalsContact NH1-CD 3.33Å; R82-E85 IonicContact NH1-OE1 3.36Å; R82-E85 PolarHBondContact NH1-OE1 2.79Å; R82-E85 VanDerWaalsContact NH1-OE1 3.17Å; R82-E85 IonicContact NH1-OE2 3.61Å; R82-E85 PolarHBondContact NH1-OE2 3.2Å
86	F	97.1	Very high	95.6	Very high	60 Å²	60	79.7 Å²	79.7	26%	0.263	38%	0.375	S	S	.	.	H	α-helix	trans	-97.8	2	-176.2	-68.4	-86.9	0	0	0	113.5	I46 E47 I76 R82 E84 L88	I46-F86 HydrophobicContact CG2-CD1 3.61Å; I46-F86 HydrophobicContact CG2-CD2 4.34Å; I46-F86 HydrophobicContact CG2-CE1 3.64Å; I46-F86 HydrophobicContact CG2-CE2 4.36Å; I46-F86 HydrophobicContact CG2-CG 3.98Å; I46-F86 HydrophobicContact CG2-CZ 4.04Å; E47-F86 HydrophobicContact CG-CD1 4.28Å; I76-F86 HydrophobicContact CD1-CE2 3.89Å; I76-F86 HydrophobicContact CD1-CZ 3.85Å; R82-F86 WeakPolarHBondContact O-CD2 3.36Å; R82-F86 PolarHBondContact O-N 3.48Å; E84-F86 PolarHBondContact O-N 3.36Å; F86-L88 VanDerWaalsContact C-N 3.29Å; F86-L88 HydrophobicContact CB-CD1 4.46Å; F86-L88 HydrophobicContact CB-CD2 3.48Å; F86-L88 VanDerWaalsContact CB-CD2 3.48Å; F86-L88 HydrophobicContact CB-CG 3.8Å; F86-L88 PolarHBondContact O-N 3.34Å
87	K	97.8	Very high	95.2	Very high	186 Å²	186	80.3 Å²	80.3	81%	0.809	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	46.2	-177.2	-55.5	179.6	-177.7	-179.7	0	112.7	V83 E84	V83-K87 CarbonylContact O-C 3.56Å; V83-K87 WeakPolarHBondContact O-CA 3.47Å; V83-K87 PolarHBondContact O-N 2.96Å; E84-K87 PolarHBondContact O-N 3.3Å
88	L	97.4	Very high	95	Very high	14 Å²	14	77.9 Å²	77.9	7%	0.073	37%	0.37	C	S	.	.			trans	-69.4	147.8	-174.8	-53.3	178.8	0	0	0	111.3	I46 D50 P78 V83 F86 Q90	I46-L88 HydrophobicContact CD1-CD1 3.82Å; I46-L88 HydrophobicContact CD1-CD2 4.31Å; I46-L88 HydrophobicContact CG1-CD1 3.91Å; I46-L88 HydrophobicContact CG1-CD2 3.77Å; D50-L88 HydrophobicContact CB-CD2 3.93Å; D50-L88 WeakPolarHBondContact OD1-CA 3.28Å; P78-L88 HydrophobicContact CB-CD1 3.51Å; P78-L88 HydrophobicContact CG-CD1 3.94Å; V83-L88 HydrophobicContact CB-CB 4.47Å; V83-L88 HydrophobicContact CG1-CB 4.3Å; V83-L88 HydrophobicContact CG2-CB 4.35Å; V83-L88 HydrophobicContact CG2-CD1 4.18Å; V83-L88 PolarHBondContact O-N 2.67Å; F86-L88 VanDerWaalsContact C-N 3.29Å; F86-L88 HydrophobicContact CB-CD1 4.46Å; F86-L88 HydrophobicContact CB-CD2 3.48Å; F86-L88 VanDerWaalsContact CB-CD2 3.48Å; F86-L88 HydrophobicContact CB-CG 3.8Å; F86-L88 PolarHBondContact O-N 3.34Å; L88-Q90 PolarHBondContact O-N 2.89Å
89	K	97.7	Very high	95	Very high	121 Å²	121	78.2 Å²	78.2	53%	0.526	37%	0.371	S	S	.	.	S	Bend	trans	-60.1	-37	174	-67.4	165.1	-175.2	168.1	0	111.9	D50 A51 N53 W92	D50-K89 WeakPolarHBondContact O-CE 3.46Å; D50-K89 PolarHBondContact O-NZ 2.85Å; D50-K89 PolarHBondContact OD1-N 2.78Å; D50-K89 WeakPolarHBondContact OD2-CG 3.48Å; A51-K89 PolarHBondContact O-NZ 3.12Å; N53-K89 PolarHBondContact OD1-NZ 2.92Å; K89-W92 HydrophobicContact CB-CZ2 4.18Å; K89-W92 HydrophobicContact CD-CZ2 4.25Å
90	Q	94.1	Very high	95	Very high	109 Å²	109	77.8 Å²	77.8	51%	0.509	37%	0.365	S	S	.	.	S	Bend	trans	-161.7	171.8	176.9	61.8	-176.9	-12.1	0	0	111.4	L88 W92	L88-Q90 PolarHBondContact O-N 2.89Å; Q90-W92 HydrophobicContact CG-CD2 4.01Å; Q90-W92 HydrophobicContact CG-CE3 4.09Å; Q90-W92 HydrophobicContact CG-CH2 3.97Å; Q90-W92 HydrophobicContact CG-CZ2 3.88Å; Q90-W92 HydrophobicContact CG-CZ3 4.1Å; Q90-W92 PolarHBondContact O-N 3.03Å
91	M	94.4	Very high	94.6	Very high	94 Å²	94	74 Å²	74	46%	0.463	35%	0.349	S	S	.	.			trans	-73.5	90	173	-165.5	-172.4	-64.2	0	0	110.5	P78 E80 V83	P78-M91 HydrophobicContact CG-CG 4.49Å; P78-M91 WeakPolarHBondContact O-CG 3.42Å; E80-M91 HydrophobicContact CG-CE 3.82Å; E80-M91 WeakPolarHBondContact OE1-CE 3.47Å; V83-M91 HydrophobicContact CG2-CB 4.04Å; V83-M91 HydrophobicContact CG2-CG 4.41Å
92	W	95.4	Very high	94.4	Very high	20 Å²	20	68.7 Å²	68.7	8%	0.076	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-62.5	144.3	179.1	-61	108.8	0	0	0	112.5	D50 N53 D54 P78 K89 Q90	D50-W92 PolarHBondContact OD1-NE1 2.91Å; N53-W92 HydrophobicContact CB-CH2 3.76Å; N53-W92 HydrophobicContact CB-CZ3 4.4Å; D54-W92 HydrophobicContact CB-CD2 4.13Å; D54-W92 HydrophobicContact CB-CE3 3.52Å; D54-W92 HydrophobicContact CB-CZ3 3.85Å; P78-W92 WeakPolarHBondContact CD-O 3.46Å; P78-W92 HydrophobicContact CG-CB 4.11Å; P78-W92 WeakPolarHBondContact CG-O 3.26Å; K89-W92 HydrophobicContact CB-CZ2 4.18Å; K89-W92 HydrophobicContact CD-CZ2 4.25Å; Q90-W92 HydrophobicContact CG-CD2 4.01Å; Q90-W92 HydrophobicContact CG-CE3 4.09Å; Q90-W92 HydrophobicContact CG-CH2 3.97Å; Q90-W92 HydrophobicContact CG-CZ2 3.88Å; Q90-W92 HydrophobicContact CG-CZ3 4.1Å; Q90-W92 PolarHBondContact O-N 3.03Å
93	K	91.4	Very high	94.1	Very high	164 Å²	164	69.2 Å²	69.2	71%	0.713	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-66.1	160.4	176	-64.3	-171.8	179.2	-174.7	0	111.2	P95	K93-P95 WeakPolarHBondContact O-CD 3.26Å
94	S	94	Very high	93.7	Very high	35 Å²	35	69 Å²	69	25%	0.245	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-62.8	125.9	177.8	-168.7	0	0	0	0	111.3	T77 N96 G97 T98	T77-S94 WeakPolarHBondContact OG1-CB 3.19Å; T77-S94 PolarHBondContact OG1-OG 2.93Å; S94-N96 PolarHBondContact O-N 2.93Å; S94-N96 PolarHBondContact OG-ND2 2.89Å; S94-G97 PolarHBondContact O-N 2.67Å; S94-T98 PolarHBondContact O-N 2.73Å; S94-T98 PolarHBondContact O-OG1 3.5Å
95	P	96.5	Very high	93.3	Very high	0 Å²	0	63 Å²	63	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-57.6	-36.2	176.1	-27.8	36.5	0	0	0	112.7	L44 R49 T57 K93 G97 T98 I99	L44-P95 HydrophobicContact CD1-CB 4.41Å; R49-P95 VanDerWaalsContact NH1-CG 3.25Å; T57-P95 HydrophobicContact CG2-CB 3.87Å; K93-P95 WeakPolarHBondContact O-CD 3.26Å; P95-G97 VanDerWaalsContact C-N 3.3Å; P95-G97 PolarHBondContact O-N 3.17Å; P95-T98 PolarHBondContact O-N 3.32Å; P95-I99 WeakPolarHBondContact O-CB 3.25Å; P95-I99 WeakPolarHBondContact O-CD1 3.5Å; P95-I99 VanDerWaalsContact O-CG1 3.28Å; P95-I99 WeakPolarHBondContact O-CG1 3.35Å; P95-I99 PolarHBondContact O-N 3.13Å
96	N	93.8	Very high	93.2	Very high	44 Å²	44	58.9 Å²	58.9	24%	0.235	30%	0.303	C	S	.	.	H	α-helix	trans	-62.5	-39.7	177.6	-52	-69.7	0	0	0	111.4	K72 S94 R100	K72-N96 WeakPolarHBondContact CE-OD1 3.29Å; K72-N96 PolarHBondContact NZ-OD1 2.88Å; S94-N96 PolarHBondContact O-N 2.93Å; S94-N96 PolarHBondContact OG-ND2 2.89Å; N96-R100 WeakPolarHBondContact O-CB 3.49Å; N96-R100 WeakPolarHBondContact O-CD 3.21Å; N96-R100 WeakPolarHBondContact O-CG 3.36Å; N96-R100 PolarHBondContact O-N 2.64Å; N96-R100 VanDerWaalsContact O-N 3.09Å
97	G	90	Very high	93.2	Very high	25 Å²	25	57.7 Å²	57.7	26%	0.258	30%	0.301	S	S	.	.	H	α-helix	trans	-66.4	-47.1	176.3	0	0	0	0	0	111.4	S94 P95 I99 R100 N101	S94-G97 PolarHBondContact O-N 2.67Å; P95-G97 VanDerWaalsContact C-N 3.3Å; P95-G97 PolarHBondContact O-N 3.17Å; G97-I99 PolarHBondContact O-N 3.25Å; G97-R100 PolarHBondContact O-N 2.75Å; G97-N101 WeakPolarHBondContact O-CB 3.46Å; G97-N101 PolarHBondContact O-N 3.35Å; G97-N101 PolarHBondContact O-ND2 2.96Å; G97-N101 VanDerWaalsContact O-ND2 3.13Å
98	T	92.3	Very high	93.1	Very high	21 Å²	21	52.3 Å²	52.3	13%	0.129	28%	0.277	C	S	.	.	H	α-helix	trans	-58.2	-50	177.4	-58.5	0	0	0	0	112	T57 K58 S94 P95 N101 I102	T57-T98 HydrophobicContact CG2-CG2 3.74Å; K58-T98 HydrophobicContact CG-CG2 4.12Å; S94-T98 PolarHBondContact O-N 2.73Å; S94-T98 PolarHBondContact O-OG1 3.5Å; P95-T98 PolarHBondContact O-N 3.32Å; T98-N101 PolarHBondContact O-N 3.09Å; T98-I102 HydrophobicContact CG2-CD1 3.98Å; T98-I102 WeakPolarHBondContact O-CG1 3.25Å; T98-I102 PolarHBondContact O-N 2.76Å; T98-I102 VanDerWaalsContact O-N 3.14Å
99	I	95.2	Very high	93.1	Very high	13 Å²	13	58.3 Å²	58.3	7%	0.067	30%	0.299	C	S	.	.	H	α-helix	trans	-61.8	-48	179.7	-66.9	160.9	0	0	0	110.9	M13 L44 T57 A61 I64 K72 P95 G97 N101 I102 L103	M13-I99 HydrophobicContact SD-CD1 3.61Å; L44-I99 HydrophobicContact CD1-CD1 3.98Å; T57-I99 HydrophobicContact CG2-CG1 4.28Å; A61-I99 HydrophobicContact CB-CB 4.45Å; A61-I99 HydrophobicContact CB-CG1 4.15Å; A61-I99 HydrophobicContact CB-CG2 4.44Å; I64-I99 HydrophobicContact CD1-CG2 4.2Å; K72-I99 HydrophobicContact CD-CD1 3.83Å; P95-I99 WeakPolarHBondContact O-CB 3.25Å; P95-I99 WeakPolarHBondContact O-CD1 3.5Å; P95-I99 VanDerWaalsContact O-CG1 3.28Å; P95-I99 WeakPolarHBondContact O-CG1 3.35Å; P95-I99 PolarHBondContact O-N 3.13Å; G97-I99 PolarHBondContact O-N 3.25Å; I99-N101 VanDerWaalsContact C-N 3.28Å; I99-N101 PolarHBondContact O-N 3.31Å; I99-I102 PolarHBondContact O-N 3.14Å; I99-I102 VanDerWaalsContact O-N 3.15Å; I99-L103 HydrophobicContact CG2-CD1 3.56Å; I99-L103 HydrophobicContact CG2-CG 4.1Å; I99-L103 WeakPolarHBondContact O-CB 3.46Å; I99-L103 WeakPolarHBondContact O-CG 3.49Å; I99-L103 PolarHBondContact O-N 3.17Å
100	R	91.3	Very high	93	Very high	61 Å²	61	57.9 Å²	57.9	23%	0.23	30%	0.299	C	S	.	.	H	α-helix	trans	-60.6	-37.8	177.9	-72.6	163.4	-173.3	155.2	6.4	112.4	N96 G97 I102 G104 A134	N96-R100 WeakPolarHBondContact O-CB 3.49Å; N96-R100 WeakPolarHBondContact O-CD 3.21Å; N96-R100 WeakPolarHBondContact O-CG 3.36Å; N96-R100 PolarHBondContact O-N 2.64Å; N96-R100 VanDerWaalsContact O-N 3.09Å; G97-R100 PolarHBondContact O-N 2.75Å; R100-I102 VanDerWaalsContact C-N 3.3Å; R100-I102 PolarHBondContact O-N 3Å; R100-G104 VanDerWaalsContact O-CA 3.28Å; R100-G104 WeakPolarHBondContact O-CA 3.27Å; R100-G104 PolarHBondContact O-N 3.38Å; R100-A134 HydrophobicContact CB-CB 4.34Å; R100-A134 HydrophobicContact CG-CB 4.19Å
101	N	86.3	Confident	92.9	Very high	61 Å²	61	55.3 Å²	55.3	33%	0.326	30%	0.296	S	S	.	.	H	α-helix	trans	-67.5	-31.9	178.3	-72.6	-25.3	0	0	0	112.7	G97 T98 I99	G97-N101 WeakPolarHBondContact O-CB 3.46Å; G97-N101 PolarHBondContact O-N 3.35Å; G97-N101 PolarHBondContact O-ND2 2.96Å; G97-N101 VanDerWaalsContact O-ND2 3.13Å; T98-N101 PolarHBondContact O-N 3.09Å; I99-N101 VanDerWaalsContact C-N 3.28Å; I99-N101 PolarHBondContact O-N 3.31Å
102	I	91.1	Very high	92.8	Very high	48 Å²	48	58.7 Å²	58.7	25%	0.246	31%	0.314	C	S	.	.	H	α-helix	trans	-80.8	-40.1	178.8	-68.3	167.5	0	0	0	111.2	K58 A61 E62 K65 T98 I99 R100	K58-I102 HydrophobicContact CB-CD1 4.27Å; K58-I102 HydrophobicContact CG-CD1 4.21Å; A61-I102 HydrophobicContact CB-CB 3.89Å; A61-I102 HydrophobicContact CB-CD1 3.66Å; A61-I102 HydrophobicContact CB-CG1 4.38Å; A61-I102 HydrophobicContact CB-CG2 3.74Å; E62-I102 WeakPolarHBondContact OE1-CG2 3.35Å; K65-I102 HydrophobicContact CD-CG2 3.87Å; T98-I102 HydrophobicContact CG2-CD1 3.98Å; T98-I102 WeakPolarHBondContact O-CG1 3.25Å; T98-I102 PolarHBondContact O-N 2.76Å; T98-I102 VanDerWaalsContact O-N 3.14Å; I99-I102 PolarHBondContact O-N 3.14Å; I99-I102 VanDerWaalsContact O-N 3.15Å; R100-I102 VanDerWaalsContact C-N 3.3Å; R100-I102 PolarHBondContact O-N 3Å
103	L	91.1	Very high	92.5	Very high	71 Å²	71	61.7 Å²	61.7	37%	0.372	33%	0.331	S	S	.	.	H	α-helix	trans	-83.2	-34.4	-178	-61.8	-176.5	0	0	0	113.4	I64 K65 I99	I64-L103 HydrophobicContact CB-CD1 4.29Å; I64-L103 HydrophobicContact CB-CD2 4.12Å; I64-L103 HydrophobicContact CD1-CD1 4.06Å; I64-L103 HydrophobicContact CG2-CD1 3.77Å; I64-L103 HydrophobicContact CG2-CD2 3.95Å; K65-L103 HydrophobicContact CD-CD2 4.07Å; K65-L103 HydrophobicContact CG-CD2 3.45Å; K65-L103 VanDerWaalsContact CG-CD2 3.45Å; I99-L103 HydrophobicContact CG2-CD1 3.56Å; I99-L103 HydrophobicContact CG2-CG 4.1Å; I99-L103 WeakPolarHBondContact O-CB 3.46Å; I99-L103 WeakPolarHBondContact O-CG 3.49Å; I99-L103 PolarHBondContact O-N 3.17Å
104	G	86.6	Confident	92.5	Very high	33 Å²	33	56.8 Å²	56.8	34%	0.34	32%	0.317	S	S	.	.			trans	69.3	-168.5	-164.5	0	0	0	0	0	113	R100	R100-G104 VanDerWaalsContact O-CA 3.28Å; R100-G104 WeakPolarHBondContact O-CA 3.27Å; R100-G104 PolarHBondContact O-N 3.38Å
105	G	89.4	Confident	92.3	Very high	32 Å²	32	65.5 Å²	65.5	33%	0.33	35%	0.35	S	S	.	.			trans	99.7	-165	169.7	0	0	0	0	0	116.3	A134	G105-A134 PolarHBondContact O-N 2.77Å
106	T	95.2	Very high	92.2	Very high	25 Å²	25	71.8 Å²	71.8	15%	0.153	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	131.6	-172.4	-57.1	0	0	0	0	110.2	F108 F192 S195	T106-F108 HydrophobicContact CG2-CD1 4.37Å; T106-F108 HydrophobicContact CG2-CD2 4.25Å; T106-F108 HydrophobicContact CG2-CE1 3.86Å; T106-F108 HydrophobicContact CG2-CE2 3.72Å; T106-F108 HydrophobicContact CG2-CZ 3.5Å; T106-F192 HydrophobicContact CG2-CD2 3.75Å; T106-F192 HydrophobicContact CG2-CE2 3.77Å; T106-F192 WeakPolarHBondContact OG1-CD2 3.27Å; T106-S195 WeakPolarHBondContact CB-OG 3.02Å; T106-S195 PolarHBondContact OG1-OG 2.92Å
107	V	95.8	Very high	92.2	Very high	35 Å²	35	74.5 Å²	74.5	21%	0.212	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	106.9	175.4	177.3	0	0	0	0	108.6	R109 R132 A134	V107-R109 HydrophobicContact CG1-CG 4.18Å; V107-R132 HydrophobicContact CB-CB 4.37Å; V107-R132 PolarHBondContact N-O 3.29Å; V107-R132 WeakPolarHBondContact O-CB 3.21Å; V107-R132 PolarHBondContact O-N 3.08Å; V107-A134 HydrophobicContact CG2-CB 3.86Å
108	F	97.1	Very high	92.4	Very high	73 Å²	73	79 Å²	79	32%	0.32	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	130.7	171.2	-63	-78.1	0	0	0	110.5	T106 I129 I130 S195 M199	T106-F108 HydrophobicContact CG2-CD1 4.37Å; T106-F108 HydrophobicContact CG2-CD2 4.25Å; T106-F108 HydrophobicContact CG2-CE1 3.86Å; T106-F108 HydrophobicContact CG2-CE2 3.72Å; T106-F108 HydrophobicContact CG2-CZ 3.5Å; F108-I129 HydrophobicContact CB-CG2 4.09Å; F108-I129 HydrophobicContact CD1-CG2 3.99Å; F108-I129 HydrophobicContact CG-CG2 4.5Å; F108-I130 CarbonylContact C-O 3.54Å; F108-I130 WeakPolarHBondContact CA-O 3.33Å; F108-S195 WeakPolarHBondContact CZ-O 3.16Å; F108-M199 HydrophobicContact CD1-CB 4.26Å; F108-M199 HydrophobicContact CD1-CG 3.79Å; F108-M199 HydrophobicContact CE1-CB 3.67Å; F108-M199 HydrophobicContact CE1-CG 3.72Å; F108-M199 HydrophobicContact CE2-CB 4.23Å; F108-M199 HydrophobicContact CE2-CG 4.46Å; F108-M199 HydrophobicContact CG-CG 4.2Å; F108-M199 HydrophobicContact CG-SD 4.49Å; F108-M199 HydrophobicContact CZ-CB 3.65Å; F108-M199 HydrophobicContact CZ-CG 4.08Å
109	R	96.8	Very high	92.4	Very high	139 Å²	139	82.5 Å²	82.5	53%	0.525	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	127.7	175.5	-68.7	-177.9	172.7	-171.6	-6.5	109.7	V107 I129 I130	V107-R109 HydrophobicContact CG1-CG 4.18Å; R109-I129 WeakPolarHBondContact O-CA 3.31Å; R109-I130 PolarHBondContact N-O 2.86Å; R109-I130 PolarHBondContact O-N 2.95Å
110	E	94.7	Very high	92.3	Very high	113 Å²	113	90.4 Å²	90.4	53%	0.528	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	147.2	178.4	-174.6	176.2	179.6	0	0	110.2	P127 I129	E110-P127 HydrophobicContact CG-CB 4.08Å; E110-P127 WeakPolarHBondContact OE1-CB 3.4Å; E110-I129 HydrophobicContact CB-CG1 4.1Å; E110-I129 HydrophobicContact CG-CD1 4.49Å; E110-I129 HydrophobicContact CG-CG1 3.93Å
111	A	92.3	Very high	92.4	Very high	55 Å²	55	90.4 Å²	90.4	46%	0.455	48%	0.481	S	S	.	.			trans	-81.6	132.6	174.3	0	0	0	0	0	111.4	I113	A111-I113 HydrophobicContact CB-CD1 3.9Å; A111-I113 PolarHBondContact O-N 2.81Å
112	I	92.5	Very high	92.7	Very high	164 Å²	164	93.2 Å²	93.2	84%	0.841	50%	0.501	S	S	*	.			trans	-77.9	111.1	167.1	-59.7	172.9	0	0	0	108
113	I	89.7	Confident	92.8	Very high	83 Å²	83	93.7 Å²	93.7	43%	0.426	52%	0.517	S	S	.	.			trans	-87.9	116.3	-174.1	-54.7	-59.9	0	0	0	111.4	A111 P127	A111-I113 HydrophobicContact CB-CD1 3.9Å; A111-I113 PolarHBondContact O-N 2.81Å; I113-P127 HydrophobicContact CG1-CB 4.49Å
114	C	91.6	Very high	92.9	Very high	61 Å²	61	97.1 Å²	97.1	41%	0.412	53%	0.525	S	S	.	.			trans	-100.3	124.1	171.7	-63.6	0	0	0	0	110.3	N116 I117	C114-N116 PolarHBondContact O-N 3.4Å; C114-N116 VanDerWaalsContact O-N 3.11Å; C114-I117 HydrophobicContact CB-CB 4.12Å; C114-I117 HydrophobicContact CB-CG1 3.6Å; C114-I117 PolarHBondContact O-N 2.87Å; C114-I117 VanDerWaalsContact O-N 3.11Å
115	K	90.3	Very high	92.8	Very high	218 Å²	218	101 Å²	101	95%	0.948	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-27.2	-176.8	-66.1	-175.6	-178.9	178.5	0	113.7
116	N	93.9	Very high	92.8	Very high	133 Å²	133	107.2 Å²	107.2	71%	0.711	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.1	4	-177.1	65.6	-35.4	0	0	0	114.1	C114	C114-N116 PolarHBondContact O-N 3.4Å; C114-N116 VanDerWaalsContact O-N 3.11Å
117	I	93.4	Very high	92.6	Very high	101 Å²	101	108.9 Å²	108.9	52%	0.518	57%	0.572	S	S	.	*	S	Bend	trans	-108.2	114.2	178.1	-57.2	-60.3	0	0	0	109.1	C114	C114-I117 HydrophobicContact CB-CB 4.12Å; C114-I117 HydrophobicContact CB-CG1 3.6Å; C114-I117 PolarHBondContact O-N 2.87Å; C114-I117 VanDerWaalsContact O-N 3.11Å
118	P	93.1	Very high	92.6	Very high	120 Å²	120	111.5 Å²	111.5	78%	0.779	58%	0.584	S	S	*	*			trans	-61.9	143.8	175.4	-19.4	31	0	0	0	111.4
119	R	92.7	Very high	92.5	Very high	94 Å²	94	111.3 Å²	111.3	36%	0.355	59%	0.585	S	S	.	*			trans	-96.5	144.3	177.3	-68.1	172.7	-68.3	-101.4	8.2	110.4	V121 W124	R119-V121 VanDerWaalsContact C-N 3.33Å; R119-V121 PolarHBondContact O-N 3.47Å; R119-W124 VanDerWaalsContact CD-O 3.25Å; R119-W124 WeakPolarHBondContact CD-O 3.48Å; R119-W124 PolarHBondContact NE-O 2.88Å; R119-W124 PolarHBondContact NH2-O 3.11Å
120	L	93.9	Very high	92.6	Very high	178 Å²	178	109.8 Å²	109.8	93%	0.932	59%	0.586	S	S	*	*	S	Bend	trans	-59.8	-44.8	176	-176.5	66	0	0	0	111.4
121	V	94.1	Very high	92.7	Very high	61 Å²	61	105.7 Å²	105.7	37%	0.37	58%	0.575	S	S	.	*	S	Bend	trans	-96.5	101.3	171.7	-174.8	0	0	0	0	108.1	R119 G123 W124	R119-V121 VanDerWaalsContact C-N 3.33Å; R119-V121 PolarHBondContact O-N 3.47Å; V121-G123 VanDerWaalsContact C-N 3.28Å; V121-G123 PolarHBondContact O-N 3.11Å; V121-W124 HydrophobicContact CB-CD2 3.66Å; V121-W124 HydrophobicContact CB-CE3 3.86Å; V121-W124 HydrophobicContact CB-CG 4.02Å; V121-W124 HydrophobicContact CB-CH2 4.5Å; V121-W124 HydrophobicContact CB-CZ2 4.33Å; V121-W124 HydrophobicContact CB-CZ3 4.28Å; V121-W124 HydrophobicContact CG1-CD2 3.82Å; V121-W124 HydrophobicContact CG1-CG 3.85Å; V121-W124 HydrophobicContact CG1-CZ2 4.34Å; V121-W124 HydrophobicContact CG2-CD2 4.24Å; V121-W124 HydrophobicContact CG2-CE3 4.19Å; V121-W124 HydrophobicContact CG2-CH2 4.03Å; V121-W124 HydrophobicContact CG2-CZ2 4.08Å; V121-W124 HydrophobicContact CG2-CZ3 4.08Å; V121-W124 PolarHBondContact O-N 3.47Å
122	T	91.8	Very high	92.9	Very high	121 Å²	121	105.9 Å²	105.9	74%	0.742	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.8	-28.8	-170.1	52.4	0	0	0	0	113.6	W124	T122-W124 VanDerWaalsContact C-N 3.29Å; T122-W124 PolarHBondContact O-N 2.81Å
123	G	92.6	Very high	92.9	Very high	58 Å²	58	99.8 Å²	99.8	60%	0.598	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-14.5	177.9	0	0	0	0	0	115	V121 V125	V121-G123 VanDerWaalsContact C-N 3.28Å; V121-G123 PolarHBondContact O-N 3.11Å; G123-V125 PolarHBondContact O-N 2.78Å
124	W	92.6	Very high	92.9	Very high	142 Å²	142	96.3 Å²	96.3	54%	0.538	52%	0.515	S	S	.	.			trans	-76.3	93.2	178.2	-69.8	-8.3	0	0	0	110.4	R119 V121 T122 I128	R119-W124 VanDerWaalsContact CD-O 3.25Å; R119-W124 WeakPolarHBondContact CD-O 3.48Å; R119-W124 PolarHBondContact NE-O 2.88Å; R119-W124 PolarHBondContact NH2-O 3.11Å; V121-W124 HydrophobicContact CB-CD2 3.66Å; V121-W124 HydrophobicContact CB-CE3 3.86Å; V121-W124 HydrophobicContact CB-CG 4.02Å; V121-W124 HydrophobicContact CB-CH2 4.5Å; V121-W124 HydrophobicContact CB-CZ2 4.33Å; V121-W124 HydrophobicContact CB-CZ3 4.28Å; V121-W124 HydrophobicContact CG1-CD2 3.82Å; V121-W124 HydrophobicContact CG1-CG 3.85Å; V121-W124 HydrophobicContact CG1-CZ2 4.34Å; V121-W124 HydrophobicContact CG2-CD2 4.24Å; V121-W124 HydrophobicContact CG2-CE3 4.19Å; V121-W124 HydrophobicContact CG2-CH2 4.03Å; V121-W124 HydrophobicContact CG2-CZ2 4.08Å; V121-W124 HydrophobicContact CG2-CZ3 4.08Å; V121-W124 PolarHBondContact O-N 3.47Å; T122-W124 VanDerWaalsContact C-N 3.29Å; T122-W124 PolarHBondContact O-N 2.81Å; W124-I128 HydrophobicContact CD2-CD1 3.9Å; W124-I128 HydrophobicContact CE3-CD1 4.27Å; W124-I128 HydrophobicContact CG-CD1 4.31Å; W124-I128 HydrophobicContact CH2-CD1 4.45Å; W124-I128 HydrophobicContact CZ2-CD1 4.08Å
125	V	85.7	Confident	92.8	Very high	115 Å²	115	94.7 Å²	94.7	70%	0.697	50%	0.5	S	S	*	.			trans	-96.1	-12.6	-179.8	-65	0	0	0	0	113.8	G123	G123-V125 PolarHBondContact O-N 2.78Å
126	K	89.3	Confident	92.8	Very high	162 Å²	162	84.3 Å²	84.3	70%	0.704	46%	0.455	S	S	*	.	S	Bend	trans	-117.5	152.3	176.5	-68.6	-177.2	-178.8	-177.4	0	109.9
127	P	90.9	Very high	92.8	Very high	61 Å²	61	80.8 Å²	80.8	40%	0.396	44%	0.437	S	S	.	.			trans	-63.2	152.3	173.7	28	-34.2	0	0	0	110.8	E110 I113	E110-P127 HydrophobicContact CG-CB 4.08Å; E110-P127 WeakPolarHBondContact OE1-CB 3.4Å; I113-P127 HydrophobicContact CG1-CB 4.49Å
128	I	94.8	Very high	92.6	Very high	90 Å²	90	82 Å²	82	46%	0.462	44%	0.44	S	S	.	.			trans	-116.1	127.5	171.3	-62.9	172.9	0	0	0	106.4	W124	W124-I128 HydrophobicContact CD2-CD1 3.9Å; W124-I128 HydrophobicContact CE3-CD1 4.27Å; W124-I128 HydrophobicContact CG-CD1 4.31Å; W124-I128 HydrophobicContact CH2-CD1 4.45Å; W124-I128 HydrophobicContact CZ2-CD1 4.08Å
129	I	96.5	Very high	92.1	Very high	69 Å²	69	84.1 Å²	84.1	35%	0.354	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	124	176.3	-52.8	-177.6	0	0	0	108.2	F108 R109 E110 M199	F108-I129 HydrophobicContact CB-CG2 4.09Å; F108-I129 HydrophobicContact CD1-CG2 3.99Å; F108-I129 HydrophobicContact CG-CG2 4.5Å; R109-I129 WeakPolarHBondContact O-CA 3.31Å; E110-I129 HydrophobicContact CB-CG1 4.1Å; E110-I129 HydrophobicContact CG-CD1 4.49Å; E110-I129 HydrophobicContact CG-CG1 3.93Å; I129-M199 HydrophobicContact CD1-CE 3.68Å
130	I	97.9	Very high	91.8	Very high	106 Å²	106	84 Å²	84	54%	0.544	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	111.2	174.9	-60.3	176.1	0	0	0	108.1	F108 R109	F108-I130 CarbonylContact C-O 3.54Å; F108-I130 WeakPolarHBondContact CA-O 3.33Å; R109-I130 PolarHBondContact N-O 2.86Å; R109-I130 PolarHBondContact O-N 2.95Å
131	G	97.1	Very high	91.6	Very high	28 Å²	28	76.6 Å²	76.6	29%	0.289	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	108.5	165.2	0	0	0	0	0	110
132	R	96	Very high	91.6	Very high	58 Å²	58	78.9 Å²	78.9	22%	0.219	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	122.3	178.9	174.2	-175.3	164.9	174.5	-3.2	110.6	V107 A134 Y139	V107-R132 HydrophobicContact CB-CB 4.37Å; V107-R132 PolarHBondContact N-O 3.29Å; V107-R132 WeakPolarHBondContact O-CB 3.21Å; V107-R132 PolarHBondContact O-N 3.08Å; R132-A134 PolarHBondContact O-N 2.9Å; R132-Y139 PolarHBondContact NH2-OH 2.92Å
133	H	93.8	Very high	91.7	Very high	37 Å²	37	78.8 Å²	78.8	17%	0.171	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	121	169.3	-169	-167	0	0	0	109.8	N184 S188 F192	H133-N184 PolarHBondContact CE1-ND2 2.79Å; H133-N184 PolarHBondContact CE1-OD1 3.22Å; H133-S188 PolarHBondContact NE2-O 3.49Å; H133-S188 PolarHBondContact NE2-OG 3.33Å; H133-F192 HydrophobicContact CB-CB 4.4Å; H133-F192 HydrophobicContact CB-CD1 4.15Å; H133-F192 HydrophobicContact CB-CD2 3.57Å; H133-F192 HydrophobicContact CB-CE1 4.36Å; H133-F192 HydrophobicContact CB-CE2 3.83Å; H133-F192 HydrophobicContact CB-CG 3.76Å; H133-F192 HydrophobicContact CB-CZ 4.22Å; H133-F192 AromaticContact CD2-CG 3.97Å; H133-F192 AromaticContact CG-CG 3.8Å
134	A	89.4	Confident	91.8	Very high	9 Å²	9	81 Å²	81	7%	0.074	40%	0.4	C	S	.	.			trans	-107.6	36.4	-169.6	0	0	0	0	0	113.1	R100 G105 V107 R132	R100-A134 HydrophobicContact CB-CB 4.34Å; R100-A134 HydrophobicContact CG-CB 4.19Å; G105-A134 PolarHBondContact O-N 2.77Å; V107-A134 HydrophobicContact CG2-CB 3.86Å; R132-A134 PolarHBondContact O-N 2.9Å
135	Y	89.3	Confident	92	Very high	28 Å²	28	79.4 Å²	79.4	11%	0.11	41%	0.406	C	S	.	.	S	Bend	trans	-146	143.9	-176.8	-175	-89.5	0	0	0	112	Y183 N184 Q185 S188	Y135-Y183 HydrophobicContact CE1-CE2 4.36Å; Y135-N184 PolarHBondContact O-ND2 2.78Å; Y135-N184 VanDerWaalsContact O-ND2 3.17Å; Y135-Q185 HydrophobicContact CE1-CB 4.22Å; Y135-Q185 HydrophobicContact CE1-CG 4Å; Y135-Q185 PolarHBondContact OH-NE2 3.34Å; Y135-Q185 PolarHBondContact OH-OE1 3.18Å; Y135-Q185 VanDerWaalsContact OH-OE1 3.11Å; Y135-S188 VanDerWaalsContact CB-OG 3.23Å; Y135-S188 WeakPolarHBondContact CB-OG 3.03Å; Y135-S188 VanDerWaalsContact CD1-OG 3.3Å; Y135-S188 WeakPolarHBondContact CD1-OG 3.45Å; Y135-S188 VanDerWaalsContact CG-OG 3.27Å
136	G	90.1	Very high	92.6	Very high	0 Å²	0	74.3 Å²	74.3	0%	0	38%	0.375	C	S	.	.	S	Bend	trans	74.7	-149.4	171.9	0	0	0	0	0	114.8	Y139 R140 Y183	G136-Y139 PolarHBondContact O-N 3.38Å; G136-R140 PolarHBondContact O-N 3.27Å; G136-Y183 WeakPolarHBondContact CA-O 3.43Å
137	D	93.3	Very high	93	Very high	59 Å²	59	72.9 Å²	72.9	32%	0.316	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	52.2	-144.8	174.5	-55.4	-9.5	0	0	0	113.2	Y139 R140 A141 M182 Y183 N184	D137-Y139 PolarHBondContact O-N 3.06Å; D137-Y139 VanDerWaalsContact O-N 3.08Å; D137-R140 CarbonylContact O-C 3.58Å; D137-R140 PolarHBondContact O-N 3.16Å; D137-A141 PolarHBondContact O-N 2.78Å; D137-A141 VanDerWaalsContact O-N 3.12Å; D137-M182 HydrophobicContact CB-SD 4.39Å; D137-Y183 PolarHBondContact N-O 2.84Å; D137-N184 PolarHBondContact OD1-ND2 3.47Å
138	Q	89.8	Confident	93.3	Very high	127 Å²	127	70.9 Å²	70.9	59%	0.593	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-60.3	-22.9	-177.6	-56.3	98.5	-7.5	0	0	112.9	R140 M182	Q138-R140 PolarHBondContact O-N 2.86Å; Q138-M182 HydrophobicContact CG-CE 3.88Å
139	Y	83.6	Confident	93.5	Very high	163 Å²	163	70.9 Å²	70.9	64%	0.639	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-73.4	-14	179.9	-65.5	-76.9	0	0	0	113.5	R132 G136 D137	R132-Y139 PolarHBondContact NH2-OH 2.92Å; G136-Y139 PolarHBondContact O-N 3.38Å; D137-Y139 PolarHBondContact O-N 3.06Å; D137-Y139 VanDerWaalsContact O-N 3.08Å
140	R	85.1	Confident	93.5	Very high	92 Å²	92	69 Å²	69	35%	0.347	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-133.1	24	174.9	-59.2	-168.7	73.4	-173.2	-1.9	112.3	G136 D137 Q138 Y183	G136-R140 PolarHBondContact O-N 3.27Å; D137-R140 CarbonylContact O-C 3.58Å; D137-R140 PolarHBondContact O-N 3.16Å; Q138-R140 PolarHBondContact O-N 2.86Å; R140-Y183 HydrophobicContact CB-CE1 4.03Å; R140-Y183 PolarHBondContact NE-OH 2.94Å; R140-Y183 VanDerWaalsContact NE-OH 3.11Å; R140-Y183 PolarHBondContact NH1-OH 3.24Å; R140-Y183 VanDerWaalsContact NH1-OH 3.1Å; R140-Y183 PolarHBondContact NH2-OH 3Å
141	A	90.1	Very high	93.5	Very high	23 Å²	23	70.2 Å²	70.2	19%	0.19	38%	0.377	C	S	.	.			trans	-68.6	159.2	174.9	0	0	0	0	0	111.2	D137 M180 G181 M182	D137-A141 PolarHBondContact O-N 2.78Å; D137-A141 VanDerWaalsContact O-N 3.12Å; A141-M180 HydrophobicContact CB-CG 3.66Å; A141-M180 HydrophobicContact CB-SD 3.66Å; A141-G181 CarbonylContact C-O 3.56Å; A141-G181 WeakPolarHBondContact CA-O 3.48Å; A141-G181 WeakPolarHBondContact CB-O 3.35Å; A141-M182 HydrophobicContact CB-CB 4.06Å
142	T	93.1	Very high	93.6	Very high	108 Å²	108	69.9 Å²	69.9	66%	0.663	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.8	123.6	162.9	-59.8	0	0	0	0	107.3	M180 G181	T142-M180 WeakPolarHBondContact O-CA 3.34Å; T142-G181 PolarHBondContact N-O 2.88Å; T142-G181 PolarHBondContact O-N 2.86Å
143	D	94.6	Very high	93.7	Very high	119 Å²	119	72.4 Å²	72.4	64%	0.636	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.5	153.8	-177.3	63.1	-52.6	0	0	0	111.1	A179 M180	D143-A179 VanDerWaalsContact CA-O 3.28Å; D143-A179 WeakPolarHBondContact CA-O 3.35Å; D143-M180 HydrophobicContact CB-CB 4.12Å; D143-M180 HydrophobicContact CB-CG 4.16Å
144	F	95.4	Very high	93.9	Very high	104 Å²	104	75 Å²	75	46%	0.456	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	158.6	176.8	66.8	-76.7	0	0	0	111.5	V146 V152 V178 A179	F144-V146 HydrophobicContact CD2-CG2 4.36Å; F144-V146 HydrophobicContact CE2-CG2 3.77Å; F144-V146 HydrophobicContact CZ-CG2 4.25Å; F144-V152 HydrophobicContact CZ-CG1 4.32Å; F144-V152 HydrophobicContact CZ-CG2 4.06Å; F144-V178 WeakPolarHBondContact O-CA 3.49Å; F144-A179 HydrophobicContact CD1-CB 4.35Å; F144-A179 HydrophobicContact CE1-CB 3.71Å; F144-A179 HydrophobicContact CZ-CB 3.85Å; F144-A179 PolarHBondContact N-O 2.82Å; F144-A179 PolarHBondContact O-N 2.83Å
145	V	97.3	Very high	94.3	Very high	110 Å²	110	77.9 Å²	77.9	67%	0.667	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.5	124.9	169.2	-179.6	0	0	0	0	108.5	P147 G177 V178	V145-P147 WeakPolarHBondContact O-CD 3.35Å; V145-G177 CarbonylContact C-O 3.53Å; V145-V178 HydrophobicContact CG2-CG1 4.43Å
146	V	97.8	Very high	94.6	Very high	8 Å²	8	83.7 Å²	83.7	5%	0.048	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	117.1	172.2	-177.1	0	0	0	0	107.3	F144 G148 V152 F172 G176 G177 A179	F144-V146 HydrophobicContact CD2-CG2 4.36Å; F144-V146 HydrophobicContact CE2-CG2 3.77Å; F144-V146 HydrophobicContact CZ-CG2 4.25Å; V146-G148 VanDerWaalsContact C-N 3.33Å; V146-G148 WeakPolarHBondContact CG1-O 3.35Å; V146-G148 PolarHBondContact O-N 2.92Å; V146-V152 HydrophobicContact CG2-CG2 4Å; V146-F172 HydrophobicContact CB-CE1 4.46Å; V146-F172 HydrophobicContact CB-CE2 4.49Å; V146-F172 HydrophobicContact CB-CZ 4.39Å; V146-F172 HydrophobicContact CG1-CD1 4.34Å; V146-F172 HydrophobicContact CG1-CD2 3.99Å; V146-F172 HydrophobicContact CG1-CE2 4.26Å; V146-F172 HydrophobicContact CG1-CG 4.05Å; V146-F172 HydrophobicContact CG2-CD2 4.46Å; V146-F172 HydrophobicContact CG2-CE1 4.37Å; V146-F172 HydrophobicContact CG2-CE2 3.9Å; V146-F172 HydrophobicContact CG2-CZ 3.85Å; V146-G176 CarbonylContact O-C 3.57Å; V146-G176 WeakPolarHBondContact O-CA 3.35Å; V146-G177 PolarHBondContact N-O 3.34Å; V146-G177 PolarHBondContact O-N 3.28Å; V146-A179 HydrophobicContact CG2-CB 4.04Å
147	P	97.4	Very high	95	Very high	131 Å²	131	87.4 Å²	87.4	85%	0.851	46%	0.46	S	S	*	.			trans	-76.5	-15.5	-166.8	29.2	-35.8	0	0	0	114.6	V145	V145-P147 WeakPolarHBondContact O-CD 3.35Å
148	G	97.5	Very high	95.2	Very high	19 Å²	19	85.1 Å²	85.1	20%	0.196	45%	0.449	C	S	.	.	S	Bend	trans	176	-166.9	-175	0	0	0	0	0	110.9	V146 G175	V146-G148 VanDerWaalsContact C-N 3.33Å; V146-G148 WeakPolarHBondContact CG1-O 3.35Å; V146-G148 PolarHBondContact O-N 2.92Å; G148-G175 CarbonylContact C-O 3.53Å
149	P	98.1	Very high	95.5	Very high	90 Å²	90	89.4 Å²	89.4	58%	0.584	47%	0.466	S	S	*	.	S	Bend	trans	-56.1	139.6	-179.6	-27.6	35.7	0	0	0	113.7	F172 E173	P149-F172 CarbonylContact C-O 3.37Å; P149-F172 WeakPolarHBondContact CA-O 3.45Å; P149-F172 VanDerWaalsContact CB-O 3.32Å; P149-F172 WeakPolarHBondContact CB-O 3.35Å; P149-E173 WeakPolarHBondContact CB-O 3.47Å; P149-E173 WeakPolarHBondContact CG-O 3.45Å
150	G	97.4	Very high	96	Very high	29 Å²	29	87.6 Å²	87.6	30%	0.299	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	158.1	169.6	179.1	0	0	0	0	0	114.5	F172	G150-F172 PolarHBondContact N-O 3.36Å; G150-F172 WeakPolarHBondContact O-CB 3.45Å; G150-F172 WeakPolarHBondContact O-CD2 3.38Å; G150-F172 PolarHBondContact O-N 3.24Å
151	K	98	Very high	96.5	Very high	133 Å²	133	86.5 Å²	86.5	58%	0.578	48%	0.484	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.3	134.6	-178.6	-66.9	179.9	178	-176.7	0	112	D171	K151-D171 WeakPolarHBondContact CE-OD2 3.19Å; K151-D171 HydrophobicContact CG-CB 4.1Å; K151-D171 WeakPolarHBondContact CG-OD1 3.46Å; K151-D171 IonicContact NZ-OD2 3.95Å
152	V	98.2	Very high	96.7	Very high	20 Å²	20	89.1 Å²	89.1	12%	0.121	50%	0.498	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	125	166.2	177.6	0	0	0	0	108.4	F144 V146 V169 H170 F172 A179	F144-V152 HydrophobicContact CZ-CG1 4.32Å; F144-V152 HydrophobicContact CZ-CG2 4.06Å; V146-V152 HydrophobicContact CG2-CG2 4Å; V152-V169 HydrophobicContact CG1-CB 4.19Å; V152-V169 HydrophobicContact CG1-CG2 4.44Å; V152-V169 WeakPolarHBondContact O-CA 3.45Å; V152-V169 WeakPolarHBondContact O-CB 3.33Å; V152-V169 PolarHBondContact O-N 3.31Å; V152-H170 PolarHBondContact N-O 2.77Å; V152-H170 PolarHBondContact O-N 3.43Å; V152-F172 HydrophobicContact CB-CE2 4.22Å; V152-F172 HydrophobicContact CG2-CD2 4.01Å; V152-F172 HydrophobicContact CG2-CE2 3.56Å; V152-A179 HydrophobicContact CG1-CB 3.95Å; V152-A179 HydrophobicContact CG2-CB 4.25Å
153	E	98.1	Very high	96.9	Very high	111 Å²	111	92.2 Å²	92.2	52%	0.519	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	152	-178.9	-57.2	-176.4	141.1	0	0	110.4	T166 Y167	E153-T166 HydrophobicContact CB-CG2 3.9Å; E153-T166 HydrophobicContact CG-CG2 4.32Å; E153-Y167 CarbonylContact C-O 3.57Å; E153-Y167 WeakPolarHBondContact CA-O 2.97Å
154	I	97.7	Very high	97	Very high	91 Å²	91	92.8 Å²	92.8	47%	0.467	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	127.8	169.7	-169.5	169.1	0	0	0	109.2	T166 Y167 V169	I154-T166 WeakPolarHBondContact O-CA 3.43Å; I154-Y167 HydrophobicContact CG2-CD2 4.4Å; I154-Y167 PolarHBondContact N-O 2.99Å; I154-Y167 PolarHBondContact O-N 2.95Å; I154-V169 HydrophobicContact CB-CG2 4.1Å; I154-V169 HydrophobicContact CG2-CG2 3.97Å
155	T	97.6	Very high	97.1	Very high	70 Å²	70	90.6 Å²	90.6	43%	0.429	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	127.4	-175.8	-63.3	0	0	0	0	111.1	V165 T166	T155-V165 CarbonylContact C-O 3.58Å; T155-V165 WeakPolarHBondContact CA-O 3.47Å; T155-T166 WeakPolarHBondContact CG2-OG1 3.17Å; T155-T166 WeakPolarHBondContact OG1-CG2 3.23Å; T155-T166 PolarHBondContact OG1-OG1 2.99Å
156	Y	97.3	Very high	97.2	Very high	151 Å²	151	88.7 Å²	88.7	59%	0.592	49%	0.485	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.8	124.7	169.8	176.4	-115.7	0	0	0	110	P158 K164 V165	Y156-P158 HydrophobicContact CD1-CG 4.02Å; Y156-P158 HydrophobicContact CE1-CB 4.19Å; Y156-P158 HydrophobicContact CE1-CG 3.68Å; Y156-K164 WeakPolarHBondContact O-CA 3.33Å; Y156-V165 PolarHBondContact N-O 3.35Å; Y156-V165 PolarHBondContact O-N 2.9Å
157	T	97.6	Very high	97.2	Very high	77 Å²	77	95.2 Å²	95.2	47%	0.472	51%	0.51	S	S	.	.			trans	-110.1	107.2	173.9	-61.6	0	0	0	0	109.3	K164	T157-K164 HydrophobicContact CG2-CD 4.28Å; T157-K164 HydrophobicContact CG2-CG 4.08Å; T157-K164 WeakPolarHBondContact OG1-CD 3.45Å; T157-K164 WeakPolarHBondContact OG1-CE 3.45Å
158	P	96.7	Very high	97.2	Very high	12 Å²	12	94.6 Å²	94.6	8%	0.078	50%	0.497	C	S	.	.			trans	-61.2	142.9	176.1	-22.6	33.5	0	0	0	112.3	Y156 D160 T162	Y156-P158 HydrophobicContact CD1-CG 4.02Å; Y156-P158 HydrophobicContact CE1-CB 4.19Å; Y156-P158 HydrophobicContact CE1-CG 3.68Å; P158-D160 VanDerWaalsContact C-N 3.34Å; P158-D160 WeakPolarHBondContact CB-OD1 3.44Å; P158-T162 WeakPolarHBondContact CB-OG1 3.34Å; P158-T162 WeakPolarHBondContact CG-OG1 3.38Å
159	K	96	Very high	97.2	Very high	217 Å²	217	98 Å²	98	94%	0.943	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-24.6	177.5	-73.3	-169.6	177	-178.4	0	113.6	G161	K159-G161 PolarHBondContact O-N 3.1Å
160	D	96.1	Very high	97.2	Very high	124 Å²	124	98.5 Å²	98.5	66%	0.663	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	0.7	179.7	61.8	4.3	0	0	0	113.1	P158 T162	P158-D160 VanDerWaalsContact C-N 3.34Å; P158-D160 WeakPolarHBondContact CB-OD1 3.44Å; D160-T162 VanDerWaalsContact C-N 3.28Å; D160-T162 PolarHBondContact O-N 3.47Å; D160-T162 WeakPolarHBondContact OD1-CB 3.09Å; D160-T162 WeakPolarHBondContact OD1-CG2 3.4Å; D160-T162 PolarHBondContact OD1-N 2.88Å; D160-T162 PolarHBondContact OD1-OG1 3.33Å
161	G	94.1	Very high	97.2	Very high	69 Å²	69	99.5 Å²	99.5	71%	0.711	51%	0.507	S	S	*	.			trans	79.5	6.5	-179.9	0	0	0	0	0	114.2	K159	K159-G161 PolarHBondContact O-N 3.1Å
162	T	95.7	Very high	97.2	Very high	78 Å²	78	94.7 Å²	94.7	48%	0.479	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-63.2	164.8	170.9	57.6	0	0	0	0	111.5	P158 D160 K164	P158-T162 WeakPolarHBondContact CB-OG1 3.34Å; P158-T162 WeakPolarHBondContact CG-OG1 3.38Å; D160-T162 VanDerWaalsContact C-N 3.28Å; D160-T162 PolarHBondContact O-N 3.47Å; D160-T162 WeakPolarHBondContact OD1-CB 3.09Å; D160-T162 WeakPolarHBondContact OD1-CG2 3.4Å; D160-T162 PolarHBondContact OD1-N 2.88Å; D160-T162 PolarHBondContact OD1-OG1 3.33Å; T162-K164 PolarHBondContact O-N 3.2Å
163	Q	96.4	Very high	97.1	Very high	174 Å²	174	101.2 Å²	101.2	81%	0.813	52%	0.515	S	S	*	.	P	Polyproline II helix	trans	-59.2	130.4	-170.4	-172.7	171.1	4.1	0	0	111.7
164	K	97.1	Very high	96.9	Very high	131 Å²	131	105 Å²	105	57%	0.57	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-58.9	141.1	172.3	-63.9	-176.1	178.1	-178.8	0	110	Y156 T157 T162	Y156-K164 WeakPolarHBondContact O-CA 3.33Å; T157-K164 HydrophobicContact CG2-CD 4.28Å; T157-K164 HydrophobicContact CG2-CG 4.08Å; T157-K164 WeakPolarHBondContact OG1-CD 3.45Å; T157-K164 WeakPolarHBondContact OG1-CE 3.45Å; T162-K164 PolarHBondContact O-N 3.2Å
165	V	97.6	Very high	96.8	Very high	58 Å²	58	102.2 Å²	102.2	35%	0.352	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	127	174.8	-166.6	0	0	0	0	108.8	T155 Y156 Y167	T155-V165 CarbonylContact C-O 3.58Å; T155-V165 WeakPolarHBondContact CA-O 3.47Å; Y156-V165 PolarHBondContact N-O 3.35Å; Y156-V165 PolarHBondContact O-N 2.9Å; V165-Y167 HydrophobicContact CB-CE2 4.1Å; V165-Y167 HydrophobicContact CG1-CD2 4.15Å; V165-Y167 HydrophobicContact CG1-CE1 4.14Å; V165-Y167 HydrophobicContact CG1-CE2 3.39Å; V165-Y167 WeakPolarHBondContact CG1-OH 3.39Å
166	T	98	Very high	96.7	Very high	69 Å²	69	101 Å²	101	42%	0.423	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	130	178.7	-62.5	0	0	0	0	108.9	E153 I154 T155	E153-T166 HydrophobicContact CB-CG2 3.9Å; E153-T166 HydrophobicContact CG-CG2 4.32Å; I154-T166 WeakPolarHBondContact O-CA 3.43Å; T155-T166 WeakPolarHBondContact CG2-OG1 3.17Å; T155-T166 WeakPolarHBondContact OG1-CG2 3.23Å; T155-T166 PolarHBondContact OG1-OG1 2.99Å
167	Y	97.8	Very high	96.7	Very high	145 Å²	145	95.1 Å²	95.1	57%	0.569	51%	0.514	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.3	127.8	176.1	-58.2	-88.6	0	0	0	108.9	E153 I154 V165 V169	E153-Y167 CarbonylContact C-O 3.57Å; E153-Y167 WeakPolarHBondContact CA-O 2.97Å; I154-Y167 HydrophobicContact CG2-CD2 4.4Å; I154-Y167 PolarHBondContact N-O 2.99Å; I154-Y167 PolarHBondContact O-N 2.95Å; V165-Y167 HydrophobicContact CB-CE2 4.1Å; V165-Y167 HydrophobicContact CG1-CD2 4.15Å; V165-Y167 HydrophobicContact CG1-CE1 4.14Å; V165-Y167 HydrophobicContact CG1-CE2 3.39Å; V165-Y167 WeakPolarHBondContact CG1-OH 3.39Å; Y167-V169 PolarHBondContact O-N 3.47Å
168	M	97.7	Very high	96.7	Very high	118 Å²	118	96.9 Å²	96.9	58%	0.581	52%	0.524	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.2	123.2	170.3	-174.7	-177.1	70.8	0	0	108.7	D171	M168-D171 HydrophobicContact SD-CB 4.44Å
169	V	97.7	Very high	96.8	Very high	92 Å²	92	97 Å²	97	56%	0.558	53%	0.526	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.6	-51.8	175.1	-179.8	0	0	0	0	109.1	V152 I154 Y167	V152-V169 HydrophobicContact CG1-CB 4.19Å; V152-V169 HydrophobicContact CG1-CG2 4.44Å; V152-V169 WeakPolarHBondContact O-CA 3.45Å; V152-V169 WeakPolarHBondContact O-CB 3.33Å; V152-V169 PolarHBondContact O-N 3.31Å; I154-V169 HydrophobicContact CB-CG2 4.1Å; I154-V169 HydrophobicContact CG2-CG2 3.97Å; Y167-V169 PolarHBondContact O-N 3.47Å
170	H	98.1	Very high	96.9	Very high	99 Å²	99	91.7 Å²	91.7	46%	0.458	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	153.1	178.5	-166.7	58.7	0	0	0	111.3	V152 F172	V152-H170 PolarHBondContact N-O 2.77Å; V152-H170 PolarHBondContact O-N 3.43Å; H170-F172 HydrophobicContact CB-CD2 4.47Å; H170-F172 HydrophobicContact CB-CE2 4.06Å; H170-F172 AromaticContact CD2-CD1 3.98Å; H170-F172 AromaticContact CD2-CD2 3.7Å; H170-F172 AromaticContact CD2-CE1 3.98Å; H170-F172 AromaticContact CD2-CE2 3.71Å; H170-F172 AromaticContact CD2-CG 3.84Å; H170-F172 AromaticContact CD2-CZ 3.85Å
171	D	97.8	Very high	96.9	Very high	51 Å²	51	87.3 Å²	87.3	27%	0.273	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	110.6	168.1	-163.7	-3.9	0	0	0	108.1	K151 M168 E173	K151-D171 WeakPolarHBondContact CE-OD2 3.19Å; K151-D171 HydrophobicContact CG-CB 4.1Å; K151-D171 WeakPolarHBondContact CG-OD1 3.46Å; K151-D171 IonicContact NZ-OD2 3.95Å; M168-D171 HydrophobicContact SD-CB 4.44Å; D171-E173 PolarHBondContact O-N 2.8Å
172	F	97.9	Very high	97.1	Very high	31 Å²	31	88 Å²	88	14%	0.136	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	106.9	178.8	-69.4	-99	0	0	0	108.3	V146 P149 G150 V152 H170 G175	V146-F172 HydrophobicContact CB-CE1 4.46Å; V146-F172 HydrophobicContact CB-CE2 4.49Å; V146-F172 HydrophobicContact CB-CZ 4.39Å; V146-F172 HydrophobicContact CG1-CD1 4.34Å; V146-F172 HydrophobicContact CG1-CD2 3.99Å; V146-F172 HydrophobicContact CG1-CE2 4.26Å; V146-F172 HydrophobicContact CG1-CG 4.05Å; V146-F172 HydrophobicContact CG2-CD2 4.46Å; V146-F172 HydrophobicContact CG2-CE1 4.37Å; V146-F172 HydrophobicContact CG2-CE2 3.9Å; V146-F172 HydrophobicContact CG2-CZ 3.85Å; P149-F172 CarbonylContact C-O 3.37Å; P149-F172 WeakPolarHBondContact CA-O 3.45Å; P149-F172 VanDerWaalsContact CB-O 3.32Å; P149-F172 WeakPolarHBondContact CB-O 3.35Å; G150-F172 PolarHBondContact N-O 3.36Å; G150-F172 WeakPolarHBondContact O-CB 3.45Å; G150-F172 WeakPolarHBondContact O-CD2 3.38Å; G150-F172 PolarHBondContact O-N 3.24Å; V152-F172 HydrophobicContact CB-CE2 4.22Å; V152-F172 HydrophobicContact CG2-CD2 4.01Å; V152-F172 HydrophobicContact CG2-CE2 3.56Å; H170-F172 HydrophobicContact CB-CD2 4.47Å; H170-F172 HydrophobicContact CB-CE2 4.06Å; H170-F172 AromaticContact CD2-CD1 3.98Å; H170-F172 AromaticContact CD2-CD2 3.7Å; H170-F172 AromaticContact CD2-CE1 3.98Å; H170-F172 AromaticContact CD2-CE2 3.71Å; H170-F172 AromaticContact CD2-CG 3.84Å; H170-F172 AromaticContact CD2-CZ 3.85Å; F172-G175 WeakPolarHBondContact CB-O 3.21Å
173	E	96.6	Very high	97.1	Very high	157 Å²	157	88.7 Å²	88.7	73%	0.734	47%	0.47	S	S	*	.			trans	-88.7	-45.4	-171.5	-64.3	-175.2	175.7	0	0	113.7	P149 D171	P149-E173 WeakPolarHBondContact CB-O 3.47Å; P149-E173 WeakPolarHBondContact CG-O 3.45Å; D171-E173 PolarHBondContact O-N 2.8Å
174	E	93.9	Very high	97	Very high	191 Å²	191	82.5 Å²	82.5	89%	0.893	44%	0.442	S	S	*	.	S	Bend	trans	-102.7	-25.3	-169.7	-62.8	-173.6	173.1	0	0	114
175	G	94.6	Very high	96.9	Very high	32 Å²	32	80.8 Å²	80.8	33%	0.33	44%	0.437	S	S	.	.	S	Bend	trans	-161.3	-178.5	-171.8	0	0	0	0	0	113.5	G148 F172	G148-G175 CarbonylContact C-O 3.53Å; F172-G175 WeakPolarHBondContact CB-O 3.21Å
176	G	96.6	Very high	96.9	Very high	44 Å²	44	84.1 Å²	84.1	45%	0.454	45%	0.452	S	S	.	.			trans	-76.6	-167.3	175.1	0	0	0	0	0	113.2	V146	V146-G176 CarbonylContact O-C 3.57Å; V146-G176 WeakPolarHBondContact O-CA 3.35Å
177	G	97.2	Very high	96.8	Very high	29 Å²	29	86.5 Å²	86.5	30%	0.299	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	173.8	-147.3	-179.4	0	0	0	0	0	111.6	V145 V146	V145-G177 CarbonylContact C-O 3.53Å; V146-G177 PolarHBondContact N-O 3.34Å; V146-G177 PolarHBondContact O-N 3.28Å
178	V	97.9	Very high	96.6	Very high	113 Å²	113	80.3 Å²	80.3	69%	0.685	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.1	149.4	175.7	-65.9	0	0	0	0	109.6	F144 V145	F144-V178 WeakPolarHBondContact O-CA 3.49Å; V145-V178 HydrophobicContact CG2-CG1 4.43Å
179	A	97.8	Very high	96.5	Very high	15 Å²	15	78.5 Å²	78.5	12%	0.124	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	149.7	174.4	0	0	0	0	0	110.4	D143 F144 V146 V152	D143-A179 VanDerWaalsContact CA-O 3.28Å; D143-A179 WeakPolarHBondContact CA-O 3.35Å; F144-A179 HydrophobicContact CD1-CB 4.35Å; F144-A179 HydrophobicContact CE1-CB 3.71Å; F144-A179 HydrophobicContact CZ-CB 3.85Å; F144-A179 PolarHBondContact N-O 2.82Å; F144-A179 PolarHBondContact O-N 2.83Å; V146-A179 HydrophobicContact CG2-CB 4.04Å; V152-A179 HydrophobicContact CG1-CB 3.95Å; V152-A179 HydrophobicContact CG2-CB 4.25Å
180	M	97.9	Very high	96.5	Very high	105 Å²	105	79.2 Å²	79.2	52%	0.517	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	134.4	179.6	179.3	-179	53.8	0	0	110.1	A141 T142 D143 M182	A141-M180 HydrophobicContact CB-CG 3.66Å; A141-M180 HydrophobicContact CB-SD 3.66Å; T142-M180 WeakPolarHBondContact O-CA 3.34Å; D143-M180 HydrophobicContact CB-CB 4.12Å; D143-M180 HydrophobicContact CB-CG 4.16Å; M180-M182 HydrophobicContact CE-CE 3.3Å; M180-M182 HydrophobicContact SD-CE 3.97Å
181	G	97.1	Very high	96.4	Very high	32 Å²	32	77.8 Å²	77.8	33%	0.33	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	137.9	167.8	0	0	0	0	0	110.8	A141 T142	A141-G181 CarbonylContact C-O 3.56Å; A141-G181 WeakPolarHBondContact CA-O 3.48Å; A141-G181 WeakPolarHBondContact CB-O 3.35Å; T142-G181 PolarHBondContact N-O 2.88Å; T142-G181 PolarHBondContact O-N 2.86Å
182	M	96.9	Very high	96.4	Very high	83 Å²	83	78 Å²	78	41%	0.409	42%	0.418	S	S	.	.			trans	-136.3	166.8	177	70.3	179.9	74.1	0	0	111.3	D137 Q138 A141 M180	D137-M182 HydrophobicContact CB-SD 4.39Å; Q138-M182 HydrophobicContact CG-CE 3.88Å; A141-M182 HydrophobicContact CB-CB 4.06Å; M180-M182 HydrophobicContact CE-CE 3.3Å; M180-M182 HydrophobicContact SD-CE 3.97Å
183	Y	95.8	Very high	96.4	Very high	93 Å²	93	78.2 Å²	78.2	37%	0.365	43%	0.426	S	S	.	.			trans	-150.1	162.8	-179.9	70.9	-83	0	0	0	111.7	Y135 G136 D137 R140	Y135-Y183 HydrophobicContact CE1-CE2 4.36Å; G136-Y183 WeakPolarHBondContact CA-O 3.43Å; D137-Y183 PolarHBondContact N-O 2.84Å; R140-Y183 HydrophobicContact CB-CE1 4.03Å; R140-Y183 PolarHBondContact NE-OH 2.94Å; R140-Y183 VanDerWaalsContact NE-OH 3.11Å; R140-Y183 PolarHBondContact NH1-OH 3.24Å; R140-Y183 VanDerWaalsContact NH1-OH 3.1Å; R140-Y183 PolarHBondContact NH2-OH 3Å
184	N	95.5	Very high	96.4	Very high	44 Å²	44	76.5 Å²	76.5	24%	0.235	42%	0.418	C	S	.	.			trans	-139.3	179.2	164.7	-143.2	-53.3	0	0	0	109.7	H133 Y135 D137 I189	H133-N184 PolarHBondContact CE1-ND2 2.79Å; H133-N184 PolarHBondContact CE1-OD1 3.22Å; Y135-N184 PolarHBondContact O-ND2 2.78Å; Y135-N184 VanDerWaalsContact O-ND2 3.17Å; D137-N184 PolarHBondContact OD1-ND2 3.47Å; N184-I189 HydrophobicContact CB-CD1 4.33Å
185	Q	94.9	Very high	96.6	Very high	96 Å²	96	68.6 Å²	68.6	45%	0.449	38%	0.383	S	S	.	.			trans	-133.1	136.4	-178.4	-66.8	-177.2	-9.8	0	0	110.7	Y135 K187 S188 I189	Y135-Q185 HydrophobicContact CE1-CB 4.22Å; Y135-Q185 HydrophobicContact CE1-CG 4Å; Y135-Q185 PolarHBondContact OH-NE2 3.34Å; Y135-Q185 PolarHBondContact OH-OE1 3.18Å; Y135-Q185 VanDerWaalsContact OH-OE1 3.11Å; Q185-K187 VanDerWaalsContact C-N 3.29Å; Q185-K187 PolarHBondContact O-N 3.4Å; Q185-S188 WeakPolarHBondContact O-CA 3.2Å; Q185-S188 WeakPolarHBondContact O-CB 3.44Å; Q185-S188 PolarHBondContact O-N 3.4Å; Q185-I189 PolarHBondContact O-N 2.86Å
186	D	97.3	Very high	96.7	Very high	127 Å²	127	68.7 Å²	68.7	68%	0.679	38%	0.379	S	S	*	.	H	α-helix	trans	-50	-49.1	179.9	-62.7	-8.2	0	0	0	111.9	S188 I189 E190	D186-S188 PolarHBondContact O-N 3.03Å; D186-I189 PolarHBondContact O-N 3.43Å; D186-E190 WeakPolarHBondContact O-CG 3.29Å; D186-E190 PolarHBondContact O-N 2.72Å
187	K	95.1	Very high	96.8	Very high	119 Å²	119	73.5 Å²	73.5	52%	0.517	39%	0.388	S	S	.	.	H	α-helix	trans	-54.4	-40.6	177	-176.9	66.1	-178.1	100.4	0	112.9	Q185 D191	Q185-K187 VanDerWaalsContact C-N 3.29Å; Q185-K187 PolarHBondContact O-N 3.4Å; K187-D191 IonicContact NZ-OD1 3.48Å; K187-D191 PolarHBondContact NZ-OD1 3.2Å; K187-D191 IonicContact NZ-OD2 2.72Å; K187-D191 PolarHBondContact NZ-OD2 2.72Å; K187-D191 WeakPolarHBondContact O-CB 3.41Å; K187-D191 VanDerWaalsContact O-CG 3.24Å; K187-D191 PolarHBondContact O-N 2.73Å
188	S	93.4	Very high	96.8	Very high	15 Å²	15	78.4 Å²	78.4	11%	0.105	40%	0.403	C	S	.	.	H	α-helix	trans	-70.7	-37.3	179.6	-168.3	0	0	0	0	112.1	H133 Y135 Q185 D186 F192	H133-S188 PolarHBondContact NE2-O 3.49Å; H133-S188 PolarHBondContact NE2-OG 3.33Å; Y135-S188 VanDerWaalsContact CB-OG 3.23Å; Y135-S188 WeakPolarHBondContact CB-OG 3.03Å; Y135-S188 VanDerWaalsContact CD1-OG 3.3Å; Y135-S188 WeakPolarHBondContact CD1-OG 3.45Å; Y135-S188 VanDerWaalsContact CG-OG 3.27Å; Q185-S188 WeakPolarHBondContact O-CA 3.2Å; Q185-S188 WeakPolarHBondContact O-CB 3.44Å; Q185-S188 PolarHBondContact O-N 3.4Å; D186-S188 PolarHBondContact O-N 3.03Å; S188-F192 WeakPolarHBondContact O-CB 3.39Å; S188-F192 PolarHBondContact O-N 3.17Å
189	I	96.8	Very high	96.8	Very high	80 Å²	80	76.4 Å²	76.4	41%	0.41	39%	0.387	S	S	.	.	H	α-helix	trans	-68.6	-42.3	177.4	-63.3	165.7	0	0	0	110.3	N184 Q185 D186 F192 A193	N184-I189 HydrophobicContact CB-CD1 4.33Å; Q185-I189 PolarHBondContact O-N 2.86Å; D186-I189 PolarHBondContact O-N 3.43Å; I189-F192 WeakPolarHBondContact O-CB 3.35Å; I189-F192 PolarHBondContact O-N 2.76Å; I189-A193 PolarHBondContact O-N 2.94Å
190	E	97.4	Very high	96.7	Very high	107 Å²	107	79.7 Å²	79.7	50%	0.5	41%	0.414	S	S	.	.	H	α-helix	trans	-59.6	-48.7	173.6	-72.2	174.7	179.7	0	0	111.2	D186 F192 A193 H194	D186-E190 WeakPolarHBondContact O-CG 3.29Å; D186-E190 PolarHBondContact O-N 2.72Å; E190-F192 VanDerWaalsContact C-N 3.28Å; E190-F192 PolarHBondContact O-N 2.61Å; E190-A193 PolarHBondContact O-N 2.84Å; E190-A193 VanDerWaalsContact O-N 3.12Å; E190-H194 PolarHBondContact O-CD2 2.76Å; E190-H194 VanDerWaalsContact O-CD2 3.25Å; E190-H194 PolarHBondContact O-N 3.36Å
191	D	95.6	Very high	96.7	Very high	69 Å²	69	82 Å²	82	37%	0.369	43%	0.428	S	S	.	.	H	α-helix	trans	-61.5	-37.5	177.9	-72.7	-27	0	0	0	112.2	K187 S195	K187-D191 IonicContact NZ-OD1 3.48Å; K187-D191 PolarHBondContact NZ-OD1 3.2Å; K187-D191 IonicContact NZ-OD2 2.72Å; K187-D191 PolarHBondContact NZ-OD2 2.72Å; K187-D191 WeakPolarHBondContact O-CB 3.41Å; K187-D191 VanDerWaalsContact O-CG 3.24Å; K187-D191 PolarHBondContact O-N 2.73Å; D191-S195 WeakPolarHBondContact O-CB 3.32Å; D191-S195 PolarHBondContact O-N 3.31Å; D191-S195 PolarHBondContact O-OG 3.03Å
192	F	97.3	Very high	96.2	Very high	56 Å²	56	87.3 Å²	87.3	25%	0.246	46%	0.46	C	S	.	.	H	α-helix	trans	-62.5	-45.5	172.6	170.1	-110.6	0	0	0	112.1	T106 H133 S188 I189 E190 S195 S196	T106-F192 HydrophobicContact CG2-CD2 3.75Å; T106-F192 HydrophobicContact CG2-CE2 3.77Å; T106-F192 WeakPolarHBondContact OG1-CD2 3.27Å; H133-F192 HydrophobicContact CB-CB 4.4Å; H133-F192 HydrophobicContact CB-CD1 4.15Å; H133-F192 HydrophobicContact CB-CD2 3.57Å; H133-F192 HydrophobicContact CB-CE1 4.36Å; H133-F192 HydrophobicContact CB-CE2 3.83Å; H133-F192 HydrophobicContact CB-CG 3.76Å; H133-F192 HydrophobicContact CB-CZ 4.22Å; H133-F192 AromaticContact CD2-CG 3.97Å; H133-F192 AromaticContact CG-CG 3.8Å; S188-F192 WeakPolarHBondContact O-CB 3.39Å; S188-F192 PolarHBondContact O-N 3.17Å; I189-F192 WeakPolarHBondContact O-CB 3.35Å; I189-F192 PolarHBondContact O-N 2.76Å; E190-F192 VanDerWaalsContact C-N 3.28Å; E190-F192 PolarHBondContact O-N 2.61Å; F192-S195 PolarHBondContact O-OG 2.92Å; F192-S196 WeakPolarHBondContact O-CB 3.48Å; F192-S196 PolarHBondContact O-N 3.4Å; F192-S196 PolarHBondContact O-OG 3.26Å
193	A	98	Very high	96.2	Very high	36 Å²	36	87.5 Å²	87.5	30%	0.298	46%	0.462	S	S	.	.	H	α-helix	trans	-64.2	-49.1	177.7	0	0	0	0	0	111.6	I189 E190 S195 S196 F197	I189-A193 PolarHBondContact O-N 2.94Å; E190-A193 PolarHBondContact O-N 2.84Å; E190-A193 VanDerWaalsContact O-N 3.12Å; A193-S195 PolarHBondContact O-N 2.94Å; A193-S196 PolarHBondContact O-N 2.99Å; A193-F197 HydrophobicContact CB-CE2 4.42Å; A193-F197 WeakPolarHBondContact O-CD2 3.42Å; A193-F197 PolarHBondContact O-N 3.5Å
194	H	97.6	Very high	96.2	Very high	120 Å²	120	87.2 Å²	87.2	56%	0.556	47%	0.467	S	S	*	.	H	α-helix	trans	-59.1	-48.3	179.9	-86.4	-77.5	0	0	0	112.4	E190 S196 F197 Q198	E190-H194 PolarHBondContact O-CD2 2.76Å; E190-H194 VanDerWaalsContact O-CD2 3.25Å; E190-H194 PolarHBondContact O-N 3.36Å; H194-S196 VanDerWaalsContact C-N 3.31Å; H194-S196 PolarHBondContact O-N 2.76Å; H194-F197 PolarHBondContact O-N 3.05Å; H194-Q198 WeakPolarHBondContact O-CB 3.26Å; H194-Q198 VanDerWaalsContact O-CG 3.31Å; H194-Q198 WeakPolarHBondContact O-CG 3.44Å; H194-Q198 PolarHBondContact O-N 3.39Å
195	S	97.1	Very high	96.3	Very high	25 Å²	25	89.6 Å²	89.6	18%	0.175	48%	0.48	C	S	.	.	H	α-helix	trans	-63.7	-37.3	177.4	54.2	0	0	0	0	112.3	T106 F108 D191 F192 A193 Q198 M199	T106-S195 WeakPolarHBondContact CB-OG 3.02Å; T106-S195 PolarHBondContact OG1-OG 2.92Å; F108-S195 WeakPolarHBondContact CZ-O 3.16Å; D191-S195 WeakPolarHBondContact O-CB 3.32Å; D191-S195 PolarHBondContact O-N 3.31Å; D191-S195 PolarHBondContact O-OG 3.03Å; F192-S195 PolarHBondContact O-OG 2.92Å; A193-S195 PolarHBondContact O-N 2.94Å; S195-Q198 PolarHBondContact O-N 3.45Å; S195-M199 WeakPolarHBondContact O-CB 3.45Å; S195-M199 PolarHBondContact O-N 3.23Å
196	S	97.8	Very high	96.3	Very high	34 Å²	34	89.2 Å²	89.2	24%	0.238	48%	0.482	C	S	.	.	H	α-helix	trans	-64.9	-42.9	176.3	-60.9	0	0	0	0	112.1	F192 A193 H194 M199 A200	F192-S196 WeakPolarHBondContact O-CB 3.48Å; F192-S196 PolarHBondContact O-N 3.4Å; F192-S196 PolarHBondContact O-OG 3.26Å; A193-S196 PolarHBondContact O-N 2.99Å; H194-S196 VanDerWaalsContact C-N 3.31Å; H194-S196 PolarHBondContact O-N 2.76Å; S196-M199 PolarHBondContact O-N 3.29Å; S196-A200 PolarHBondContact O-N 3.41Å; S196-A200 VanDerWaalsContact O-N 3.11Å
197	F	98.1	Very high	96.3	Very high	146 Å²	146	86.9 Å²	86.9	64%	0.64	47%	0.47	S	S	*	.	H	α-helix	trans	-66.4	-41.3	175.2	-74.1	-58.8	0	0	0	112.4	A193 H194 M199 A200 L201	A193-F197 HydrophobicContact CB-CE2 4.42Å; A193-F197 WeakPolarHBondContact O-CD2 3.42Å; A193-F197 PolarHBondContact O-N 3.5Å; H194-F197 PolarHBondContact O-N 3.05Å; F197-M199 PolarHBondContact O-N 3.26Å; F197-A200 PolarHBondContact O-N 2.78Å; F197-L201 WeakPolarHBondContact O-CG 3.39Å; F197-L201 PolarHBondContact O-N 2.89Å; F197-L201 VanDerWaalsContact O-N 3.09Å
198	Q	97.7	Very high	96.4	Very high	131 Å²	131	84.7 Å²	84.7	61%	0.612	47%	0.467	S	S	*	.	H	α-helix	trans	-60.7	-44.3	176.3	-74.5	172.7	-3.7	0	0	111.8	H194 S195 A200 L201 S202	H194-Q198 WeakPolarHBondContact O-CB 3.26Å; H194-Q198 VanDerWaalsContact O-CG 3.31Å; H194-Q198 WeakPolarHBondContact O-CG 3.44Å; H194-Q198 PolarHBondContact O-N 3.39Å; S195-Q198 PolarHBondContact O-N 3.45Å; Q198-A200 VanDerWaalsContact C-N 3.28Å; Q198-A200 PolarHBondContact O-N 3.49Å; Q198-L201 PolarHBondContact O-N 3.28Å; Q198-S202 PolarHBondContact O-N 3.44Å; Q198-S202 VanDerWaalsContact O-N 3.13Å
199	M	96.6	Very high	96.6	Very high	71 Å²	71	89.7 Å²	89.7	35%	0.35	49%	0.492	S	S	.	.	H	α-helix	trans	-63.3	-33.8	176.3	-172.9	68.3	-163.8	0	0	112.5	F108 I129 S195 S196 F197 L201 S202	F108-M199 HydrophobicContact CD1-CB 4.26Å; F108-M199 HydrophobicContact CD1-CG 3.79Å; F108-M199 HydrophobicContact CE1-CB 3.67Å; F108-M199 HydrophobicContact CE1-CG 3.72Å; F108-M199 HydrophobicContact CE2-CB 4.23Å; F108-M199 HydrophobicContact CE2-CG 4.46Å; F108-M199 HydrophobicContact CG-CG 4.2Å; F108-M199 HydrophobicContact CG-SD 4.49Å; F108-M199 HydrophobicContact CZ-CB 3.65Å; F108-M199 HydrophobicContact CZ-CG 4.08Å; I129-M199 HydrophobicContact CD1-CE 3.68Å; S195-M199 WeakPolarHBondContact O-CB 3.45Å; S195-M199 PolarHBondContact O-N 3.23Å; S196-M199 PolarHBondContact O-N 3.29Å; F197-M199 PolarHBondContact O-N 3.26Å; M199-L201 VanDerWaalsContact C-N 3.33Å; M199-S202 PolarHBondContact O-OG 3.31Å
200	A	96.8	Very high	96.5	Very high	85 Å²	85	90.5 Å²	90.5	70%	0.702	50%	0.499	S	S	*	.	H	α-helix	trans	-74.3	-24.1	177.5	0	0	0	0	0	113.4	S196 F197 Q198	S196-A200 PolarHBondContact O-N 3.41Å; S196-A200 VanDerWaalsContact O-N 3.11Å; F197-A200 PolarHBondContact O-N 2.78Å; Q198-A200 VanDerWaalsContact C-N 3.28Å; Q198-A200 PolarHBondContact O-N 3.49Å
201	L	96.9	Very high	96.5	Very high	154 Å²	154	89.1 Å²	89.1	81%	0.806	50%	0.499	S	S	*	.	H	α-helix	trans	-92.2	-17.4	-179.1	-71.3	172	0	0	0	113.9	F197 Q198 M199	F197-L201 WeakPolarHBondContact O-CG 3.39Å; F197-L201 PolarHBondContact O-N 2.89Å; F197-L201 VanDerWaalsContact O-N 3.09Å; Q198-L201 PolarHBondContact O-N 3.28Å; M199-L201 VanDerWaalsContact C-N 3.33Å
202	S	88.3	Confident	96.6	Very high	142 Å²	142	90.9 Å²	90.9	99%	0.993	51%	0.51	S	S	*	.			trans	-74.9	0	-176.8	63.7	0	0	0	0	114.4	Q198 M199	Q198-S202 PolarHBondContact O-N 3.44Å; Q198-S202 VanDerWaalsContact O-N 3.13Å; M199-S202 PolarHBondContact O-OG 3.31Å

Retrieved 202 of 202 residues in 164.7 ms (Link to these results)

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