A0A077Z2I4_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z2I4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 147 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	24.3	Very low	28.1	Very low	244 Å²	244	94.2 Å²	94.2	100%	1.202	56%	0.558	S	S	*	*				0	107.6	0	-74.3	164.3	169.2	0	0	107.3
2	A	23.7	Very low	28.1	Very low	89 Å²	89	99.6 Å²	99.6	74%	0.736	56%	0.561	S	S	*	*			trans	-97.9	113.8	-179.5	0	0	0	0	0	108.9	C4	A2-C4 PolarHBondContact O-N 2.95Å
3	N	24.7	Very low	28.7	Very low	150 Å²	150	93.3 Å²	93.3	80%	0.802	53%	0.528	S	S	*	.			trans	-56.2	114.2	175.3	-76.3	-15.4	0	0	0	109.7	C5	N3-C5 PolarHBondContact O-N 2.91Å
4	C	26.4	Very low	29.4	Very low	74 Å²	74	96.7 Å²	96.7	50%	0.5	54%	0.544	S	S	.	.			trans	-69.6	107.3	164.6	-83	0	0	0	0	107.6	A2 C6	A2-C4 PolarHBondContact O-N 2.95Å; C4-C6 PolarHBondContact O-N 2.91Å
5	C	26.1	Very low	30.5	Very low	85 Å²	85	99.3 Å²	99.3	57%	0.574	56%	0.556	S	S	*	*			trans	-69.8	107	164.7	-64.5	0	0	0	0	107.8	N3 P25	N3-C5 PolarHBondContact O-N 2.91Å; C5-P25 WeakPolarHBondContact O-CD 3.39Å; C5-P25 WeakPolarHBondContact O-CG 3.48Å
6	C	27.7	Very low	31	Very low	56 Å²	56	99.8 Å²	99.8	38%	0.378	56%	0.557	S	S	.	*			trans	-71.4	127.8	163.6	-65.1	0	0	0	0	107.5	C4 F8	C4-C6 PolarHBondContact O-N 2.91Å; C6-F8 HydrophobicContact CB-CD2 4.2Å; C6-F8 HydrophobicContact CB-CE2 3.57Å; C6-F8 HydrophobicContact CB-CZ 3.97Å
7	L	30.7	Very low	31.2	Very low	45 Å²	45	97.5 Å²	97.5	24%	0.236	55%	0.547	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	121	168.6	-139.6	104	0	0	0	107.4	V23 Y35 I42	L7-V23 HydrophobicContact CB-CB 4.49Å; L7-V23 PolarHBondContact N-O 3.19Å; L7-V23 PolarHBondContact O-N 3.21Å; L7-V23 VanDerWaalsContact O-N 3.1Å; L7-Y35 HydrophobicContact CD1-CD2 4.49Å; L7-Y35 HydrophobicContact CD1-CE2 3.41Å; L7-Y35 VanDerWaalsContact CD1-CE2 3.41Å; L7-Y35 VanDerWaalsContact CD1-OH 3.25Å; L7-Y35 WeakPolarHBondContact CD1-OH 3.15Å; L7-I42 HydrophobicContact CD2-CD1 3.33Å
8	F	27.6	Very low	31.1	Very low	126 Å²	126	98.8 Å²	98.8	55%	0.553	55%	0.551	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-100.1	111.4	173.9	-65.9	-88.3	0	0	0	107.2	C6 E20 Q22	C6-F8 HydrophobicContact CB-CD2 4.2Å; C6-F8 HydrophobicContact CB-CE2 3.57Å; C6-F8 HydrophobicContact CB-CZ 3.97Å; F8-E20 HydrophobicContact CD1-CG 4.36Å; F8-E20 WeakPolarHBondContact CD1-OE1 3.38Å; F8-E20 VanDerWaalsContact CE1-OE1 3.23Å; F8-E20 WeakPolarHBondContact CE1-OE1 3.48Å; F8-Q22 HydrophobicContact CD1-CG 3.88Å; F8-Q22 HydrophobicContact CE1-CG 3.75Å
9	G	32.5	Very low	31.2	Very low	31 Å²	31	99.3 Å²	99.3	32%	0.32	54%	0.544	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	143	162.2	0	0	0	0	0	108.2	E20 I21	G9-E20 CarbonylContact O-C 3.57Å; G9-I21 PolarHBondContact N-O 2.82Å; G9-I21 PolarHBondContact O-N 2.97Å
10	A	29.1	Very low	31.1	Very low	70 Å²	70	100.4 Å²	100.4	58%	0.579	55%	0.545	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.6	135.1	164.6	0	0	0	0	0	107.1	L18 Y19	A10-L18 HydrophobicContact CB-CD2 3.84Å; A10-L18 HydrophobicContact CB-CG 4.44Å; A10-Y19 VanDerWaalsContact CA-O 3.31Å; A10-Y19 WeakPolarHBondContact CA-O 3.28Å
11	Y	36.4	Very low	31.3	Very low	66 Å²	66	99.6 Å²	99.6	26%	0.259	54%	0.54	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	147	168.6	80.6	-92.8	0	0	0	109.5	Y19 I21 F111	Y11-Y19 HydrophobicContact CD2-CD2 4.4Å; Y11-Y19 HydrophobicContact CE1-CD2 4.25Å; Y11-Y19 AromaticContact CE1-CG 3.93Å; Y11-Y19 HydrophobicContact CE1-CG 3.93Å; Y11-Y19 AromaticContact CE2-CD2 3.61Å; Y11-Y19 HydrophobicContact CE2-CD2 3.61Å; Y11-Y19 HydrophobicContact CE2-CE2 4.4Å; Y11-Y19 HydrophobicContact CE2-CG 4.16Å; Y11-Y19 AromaticContact CZ-CD2 3.54Å; Y11-Y19 AromaticContact CZ-CG 3.63Å; Y11-Y19 PolarHBondContact N-O 3.32Å; Y11-Y19 PolarHBondContact O-N 3.21Å; Y11-Y19 WeakPolarHBondContact OH-CD2 2.99Å; Y11-I21 HydrophobicContact CD1-CD1 3.65Å; Y11-I21 HydrophobicContact CD1-CG1 3.96Å; Y11-I21 HydrophobicContact CE1-CD1 4.02Å; Y11-I21 HydrophobicContact CE1-CG1 4.19Å; Y11-F111 HydrophobicContact CD2-CD1 4.2Å; Y11-F111 AromaticContact CD2-CE1 3.82Å; Y11-F111 HydrophobicContact CD2-CE1 3.82Å; Y11-F111 AromaticContact CE2-CD1 3.72Å; Y11-F111 HydrophobicContact CE2-CD1 3.72Å; Y11-F111 AromaticContact CE2-CE1 3.37Å; Y11-F111 HydrophobicContact CE2-CE1 3.37Å; Y11-F111 HydrophobicContact CE2-CZ 4.4Å
12	R	28	Very low	31.6	Very low	159 Å²	159	93 Å²	93	60%	0.6	51%	0.506	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.2	125.9	177	-166.6	171.5	-179.1	157.5	-2.5	107.3	D16	R12-D16 IonicContact CZ-OD1 3.11Å; R12-D16 IonicContact NE-OD1 2.71Å; R12-D16 PolarHBondContact NE-OD1 3.39Å; R12-D16 IonicContact NH2-OD1 2.73Å; R12-D16 PolarHBondContact NH2-OD1 3.39Å; R12-D16 IonicContact NH2-OD2 3.36Å; R12-D16 PolarHBondContact NH2-OD2 3.16Å
13	S	35.6	Very low	32.2	Very low	18 Å²	18	91.1 Å²	91.1	13%	0.126	49%	0.486	C	S	.	.			trans	-76.7	161.6	174.3	-166.7	0	0	0	0	110.5	D15 D16 T17	S13-D15 PolarHBondContact O-N 3.29Å; S13-D15 VanDerWaalsContact O-N 3.07Å; S13-D16 WeakPolarHBondContact O-CA 3.3Å; S13-D16 PolarHBondContact O-N 2.95Å; S13-T17 PolarHBondContact N-O 2.84Å
14	D	38.8	Very low	32.7	Very low	141 Å²	141	91.3 Å²	91.3	75%	0.754	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-29.1	170.9	-65.8	-29.2	0	0	0	112.7	D16	D14-D16 PolarHBondContact O-N 2.99Å
15	D	45.5	Very low	33.3	Very low	135 Å²	135	89.4 Å²	89.4	72%	0.722	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	22.9	174.7	-60.7	-34.7	0	0	0	113.5	S13 T17	S13-D15 PolarHBondContact O-N 3.29Å; S13-D15 VanDerWaalsContact O-N 3.07Å; D15-T17 PolarHBondContact O-N 3.15Å; D15-T17 PolarHBondContact O-OG1 3.35Å
16	D	39.8	Very low	33.8	Very low	107 Å²	107	88 Å²	88	57%	0.572	46%	0.458	S	S	*	.	S	Bend	trans	57.5	9.7	-177.4	-90	-22.8	0	0	0	116.1	R12 S13 D14 L18	R12-D16 IonicContact CZ-OD1 3.11Å; R12-D16 IonicContact NE-OD1 2.71Å; R12-D16 PolarHBondContact NE-OD1 3.39Å; R12-D16 IonicContact NH2-OD1 2.73Å; R12-D16 PolarHBondContact NH2-OD1 3.39Å; R12-D16 IonicContact NH2-OD2 3.36Å; R12-D16 PolarHBondContact NH2-OD2 3.16Å; S13-D16 WeakPolarHBondContact O-CA 3.3Å; S13-D16 PolarHBondContact O-N 2.95Å; D14-D16 PolarHBondContact O-N 2.99Å; D16-L18 PolarHBondContact O-N 3.15Å
17	T	32.9	Very low	34.3	Very low	62 Å²	62	95.7 Å²	95.7	38%	0.38	48%	0.479	S	S	.	.			trans	-80.9	123.2	-176.4	-51.6	0	0	0	0	109.9	S13 D15 Y19	S13-T17 PolarHBondContact N-O 2.84Å; D15-T17 PolarHBondContact O-N 3.15Å; D15-T17 PolarHBondContact O-OG1 3.35Å; T17-Y19 HydrophobicContact CG2-CD2 4.3Å; T17-Y19 HydrophobicContact CG2-CE1 4.48Å; T17-Y19 HydrophobicContact CG2-CE2 3.7Å; T17-Y19 WeakPolarHBondContact O-CD2 3.26Å
18	L	30.6	Very low	34.6	Very low	120 Å²	120	95.9 Å²	95.9	63%	0.628	49%	0.486	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.9	117	178.7	-138.5	106.5	0	0	0	110	A10 D16	A10-L18 HydrophobicContact CB-CD2 3.84Å; A10-L18 HydrophobicContact CB-CG 4.44Å; D16-L18 PolarHBondContact O-N 3.15Å
19	Y	31.8	Very low	35.2	Very low	108 Å²	108	92.4 Å²	92.4	42%	0.424	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	120.2	176.4	-71	-84.5	0	0	0	110.2	A10 Y11 T17	A10-Y19 VanDerWaalsContact CA-O 3.31Å; A10-Y19 WeakPolarHBondContact CA-O 3.28Å; Y11-Y19 HydrophobicContact CD2-CD2 4.4Å; Y11-Y19 HydrophobicContact CE1-CD2 4.25Å; Y11-Y19 AromaticContact CE1-CG 3.93Å; Y11-Y19 HydrophobicContact CE1-CG 3.93Å; Y11-Y19 AromaticContact CE2-CD2 3.61Å; Y11-Y19 HydrophobicContact CE2-CD2 3.61Å; Y11-Y19 HydrophobicContact CE2-CE2 4.4Å; Y11-Y19 HydrophobicContact CE2-CG 4.16Å; Y11-Y19 AromaticContact CZ-CD2 3.54Å; Y11-Y19 AromaticContact CZ-CG 3.63Å; Y11-Y19 PolarHBondContact N-O 3.32Å; Y11-Y19 PolarHBondContact O-N 3.21Å; Y11-Y19 WeakPolarHBondContact OH-CD2 2.99Å; T17-Y19 HydrophobicContact CG2-CD2 4.3Å; T17-Y19 HydrophobicContact CG2-CE1 4.48Å; T17-Y19 HydrophobicContact CG2-CE2 3.7Å; T17-Y19 WeakPolarHBondContact O-CD2 3.26Å
20	E	30.5	Very low	35.6	Very low	121 Å²	121	96 Å²	96	57%	0.565	49%	0.488	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.9	115	174.5	-168.3	-171.7	147	0	0	109.9	F8 G9 Q22	F8-E20 HydrophobicContact CD1-CG 4.36Å; F8-E20 WeakPolarHBondContact CD1-OE1 3.38Å; F8-E20 VanDerWaalsContact CE1-OE1 3.23Å; F8-E20 WeakPolarHBondContact CE1-OE1 3.48Å; G9-E20 CarbonylContact O-C 3.57Å; E20-Q22 HydrophobicContact CG-CG 4.47Å; E20-Q22 WeakPolarHBondContact OE1-CG 2.73Å; E20-Q22 PolarHBondContact OE1-NE2 2.83Å
21	I	34.1	Very low	36.4	Very low	84 Å²	84	95.1 Å²	95.1	43%	0.431	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	104.5	169.8	-56.9	177.6	0	0	0	108	G9 Y11 V23	G9-I21 PolarHBondContact N-O 2.82Å; G9-I21 PolarHBondContact O-N 2.97Å; Y11-I21 HydrophobicContact CD1-CD1 3.65Å; Y11-I21 HydrophobicContact CD1-CG1 3.96Å; Y11-I21 HydrophobicContact CE1-CD1 4.02Å; Y11-I21 HydrophobicContact CE1-CG1 4.19Å; I21-V23 HydrophobicContact CG2-CG2 3.92Å; I21-V23 PolarHBondContact O-N 3.18Å
22	Q	30.5	Very low	36.7	Very low	105 Å²	105	100.7 Å²	100.7	49%	0.491	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	106.1	166.3	-78	-175	13.7	0	0	110.4	F8 E20	F8-Q22 HydrophobicContact CD1-CG 3.88Å; F8-Q22 HydrophobicContact CE1-CG 3.75Å; E20-Q22 HydrophobicContact CG-CG 4.47Å; E20-Q22 WeakPolarHBondContact OE1-CG 2.73Å; E20-Q22 PolarHBondContact OE1-NE2 2.83Å
23	V	36.9	Very low	37.4	Very low	51 Å²	51	94.7 Å²	94.7	31%	0.309	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	107.2	165.4	-173.8	0	0	0	0	107.6	L7 I21 P25	L7-V23 HydrophobicContact CB-CB 4.49Å; L7-V23 PolarHBondContact N-O 3.19Å; L7-V23 PolarHBondContact O-N 3.21Å; L7-V23 VanDerWaalsContact O-N 3.1Å; I21-V23 HydrophobicContact CG2-CG2 3.92Å; I21-V23 PolarHBondContact O-N 3.18Å; V23-P25 WeakPolarHBondContact O-CD 3.08Å
24	K	35.6	Very low	37.8	Very low	154 Å²	154	94.4 Å²	94.4	67%	0.67	48%	0.478	S	S	*	.			trans	-85.9	100.3	168.1	-77.5	-179.7	-179.2	170.8	0	108.6	S26	K24-S26 PolarHBondContact O-N 3.21Å
25	P	38.3	Very low	38.3	Very low	33 Å²	33	92.9 Å²	92.9	21%	0.214	46%	0.462	C	S	.	.			trans	-61.7	127.1	173.3	25.5	-32.2	0	0	0	108.4	C5 V23 M29	C5-P25 WeakPolarHBondContact O-CD 3.39Å; C5-P25 WeakPolarHBondContact O-CG 3.48Å; V23-P25 WeakPolarHBondContact O-CD 3.08Å; P25-M29 HydrophobicContact CB-CB 3.98Å
26	S	36.5	Very low	38.3	Very low	57 Å²	57	91.3 Å²	91.3	40%	0.399	45%	0.453	S	S	.	.			trans	-59.4	150.8	167.4	74.1	0	0	0	0	108.4	K24 A28 M29	K24-S26 PolarHBondContact O-N 3.21Å; S26-A28 PolarHBondContact O-N 3.36Å; S26-M29 PolarHBondContact O-N 2.71Å
27	R	38.2	Very low	38.8	Very low	217 Å²	217	87 Å²	87	82%	0.819	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-51.5	-19.3	179	-77	-178	171.1	172	-1.2	113.9
28	A	38.4	Very low	39.8	Very low	48 Å²	48	86.9 Å²	86.9	40%	0.397	43%	0.427	S	S	.	.	G	3₁₀ helix	trans	-76.1	-20.2	175.8	0	0	0	0	0	114.8	S26 S85	S26-A28 PolarHBondContact O-N 3.36Å; A28-S85 WeakPolarHBondContact CB-OG 3.26Å
29	M	39.3	Very low	40.8	Very low	54 Å²	54	83.9 Å²	83.9	27%	0.266	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-88.2	0.3	-178.1	-74.5	-179.6	176	0	0	114.1	P25 S26 N31	P25-M29 HydrophobicContact CB-CB 3.98Å; S26-M29 PolarHBondContact O-N 2.71Å; M29-N31 PolarHBondContact O-N 2.89Å
30	V	40.1	Very low	41.7	Very low	106 Å²	106	79.1 Å²	79.1	64%	0.642	39%	0.394	S	S	*	.			trans	-79.6	50.7	-179.5	-163.1	0	0	0	0	110.8
31	N	45.9	Very low	42.8	Very low	51 Å²	51	74.6 Å²	74.6	27%	0.273	37%	0.372	S	S	.	.			trans	-114.7	124	167.4	-133.4	-12.6	0	0	0	107.6	M29 T33 C34 Y35 L79 L80	M29-N31 PolarHBondContact O-N 2.89Å; N31-T33 PolarHBondContact O-N 3.44Å; N31-C34 PolarHBondContact O-N 3.49Å; N31-C34 VanDerWaalsContact O-N 3.08Å; N31-Y35 PolarHBondContact O-N 3.17Å; N31-L79 PolarHBondContact ND2-O 3.34Å; N31-L80 HydrophobicContact CB-CD2 4.04Å
32	K	43.6	Very low	43.7	Very low	184 Å²	184	73.6 Å²	73.6	80%	0.8	37%	0.367	S	S	*	.	H	α-helix	trans	-49.3	-25.8	-170.4	-70.3	180	177.3	179.3	0	113.6	L36	K32-L36 WeakPolarHBondContact O-CG 2.99Å; K32-L36 PolarHBondContact O-N 2.86Å
33	T	41.9	Very low	44.7	Very low	32 Å²	32	72.2 Å²	72.2	20%	0.196	36%	0.362	C	S	.	.	H	α-helix	trans	-79.7	-38.6	-178.1	38.2	0	0	0	0	115.3	N31 Y35 L36 G37 S76	N31-T33 PolarHBondContact O-N 3.44Å; T33-Y35 VanDerWaalsContact C-N 3.28Å; T33-L36 PolarHBondContact O-N 3.12Å; T33-G37 PolarHBondContact O-N 2.97Å; T33-S76 VanDerWaalsContact OG1-CB 3.3Å; T33-S76 WeakPolarHBondContact OG1-CB 3.19Å
34	C	44.5	Very low	45.3	Very low	12 Å²	12	70 Å²	70	8%	0.081	35%	0.349	C	S	.	.	H	α-helix	trans	-72.6	-27.8	172.9	-59.3	0	0	0	0	110.1	N31 G37 W38 C89	N31-C34 PolarHBondContact O-N 3.49Å; N31-C34 VanDerWaalsContact O-N 3.08Å; C34-G37 PolarHBondContact O-N 2.83Å; C34-W38 VanDerWaalsContact O-CD1 3.26Å; C34-W38 PolarHBondContact O-N 2.84Å; C34-W38 VanDerWaalsContact O-N 3.1Å; C34-C89 WeakPolarHBondContact CB-SG 3.48Å; C34-C89 WeakPolarHBondContact SG-CB 3.49Å; C34-C89 CovalentContact SG-SG 2.09Å; C34-C89 PolarHBondContact SG-SG 3.4Å
35	Y	48.8	Very low	46	Very low	110 Å²	110	65.6 Å²	65.6	43%	0.431	33%	0.332	S	S	.	.	H	α-helix	trans	-63.7	-40.8	172.4	-165.6	-103.8	0	0	0	112.5	L7 N31 T33 W38 I39	L7-Y35 HydrophobicContact CD1-CD2 4.49Å; L7-Y35 HydrophobicContact CD1-CE2 3.41Å; L7-Y35 VanDerWaalsContact CD1-CE2 3.41Å; L7-Y35 VanDerWaalsContact CD1-OH 3.25Å; L7-Y35 WeakPolarHBondContact CD1-OH 3.15Å; N31-Y35 PolarHBondContact O-N 3.17Å; T33-Y35 VanDerWaalsContact C-N 3.28Å; Y35-W38 PolarHBondContact O-N 2.87Å; Y35-I39 HydrophobicContact CD1-CD1 3.37Å; Y35-I39 HydrophobicContact CD1-CG1 4.18Å; Y35-I39 HydrophobicContact CE1-CD1 3.33Å; Y35-I39 HydrophobicContact CE1-CG1 4.09Å; Y35-I39 HydrophobicContact CG-CD1 4.37Å; Y35-I39 WeakPolarHBondContact O-CG1 3.27Å; Y35-I39 PolarHBondContact O-N 2.94Å
36	L	46.4	Very low	46.3	Very low	101 Å²	101	67.8 Å²	67.8	53%	0.529	35%	0.349	S	S	.	.	H	α-helix	trans	-65	-36.9	174.3	-74.4	168.2	0	0	0	112.7	K32 T33 W38 I39 A40	K32-L36 WeakPolarHBondContact O-CG 2.99Å; K32-L36 PolarHBondContact O-N 2.86Å; T33-L36 PolarHBondContact O-N 3.12Å; L36-W38 VanDerWaalsContact C-N 3.35Å; L36-I39 PolarHBondContact O-N 3.27Å; L36-A40 WeakPolarHBondContact O-CB 3.27Å; L36-A40 PolarHBondContact O-N 3.12Å
37	G	50.8	Low	46.7	Very low	17 Å²	17	68.1 Å²	68.1	18%	0.175	35%	0.345	C	S	.	.	H	α-helix	trans	-64.2	-38.9	173.8	0	0	0	0	0	112.7	T33 C34 F41	T33-G37 PolarHBondContact O-N 2.97Å; C34-G37 PolarHBondContact O-N 2.83Å; G37-F41 WeakPolarHBondContact O-CB 3.46Å; G37-F41 PolarHBondContact O-N 3.28Å
38	W	52.8	Low	47.1	Very low	59 Å²	59	59.9 Å²	59.9	22%	0.223	32%	0.324	C	S	.	.	H	α-helix	trans	-68.5	-41.8	173.3	-85.9	103	0	0	0	112.9	C34 Y35 L36 A40 F41 I42 V92 L114 I116	C34-W38 VanDerWaalsContact O-CD1 3.26Å; C34-W38 PolarHBondContact O-N 2.84Å; C34-W38 VanDerWaalsContact O-N 3.1Å; Y35-W38 PolarHBondContact O-N 2.87Å; L36-W38 VanDerWaalsContact C-N 3.35Å; W38-A40 VanDerWaalsContact C-N 3.35Å; W38-F41 HydrophobicContact CZ3-CD1 4.45Å; W38-F41 PolarHBondContact O-N 3.1Å; W38-I42 VanDerWaalsContact O-CG1 3.29Å; W38-I42 WeakPolarHBondContact O-CG1 3.39Å; W38-I42 PolarHBondContact O-N 3.29Å; W38-V92 HydrophobicContact CZ2-CG1 3.98Å; W38-V92 HydrophobicContact CZ2-CG2 4.44Å; W38-L114 HydrophobicContact CH2-CD2 4.16Å; W38-L114 HydrophobicContact CZ2-CD2 4.49Å; W38-I116 HydrophobicContact CZ2-CD1 4.37Å
39	I	52.4	Low	47.3	Very low	58 Å²	58	64.5 Å²	64.5	30%	0.297	34%	0.342	S	S	.	.	H	α-helix	trans	-60.9	-46	174	-71	164.5	0	0	0	110.3	Y35 L36 F41 I42 I43	Y35-I39 HydrophobicContact CD1-CD1 3.37Å; Y35-I39 HydrophobicContact CD1-CG1 4.18Å; Y35-I39 HydrophobicContact CE1-CD1 3.33Å; Y35-I39 HydrophobicContact CE1-CG1 4.09Å; Y35-I39 HydrophobicContact CG-CD1 4.37Å; Y35-I39 WeakPolarHBondContact O-CG1 3.27Å; Y35-I39 PolarHBondContact O-N 2.94Å; L36-I39 PolarHBondContact O-N 3.27Å; I39-F41 VanDerWaalsContact C-N 3.29Å; I39-F41 PolarHBondContact O-N 2.91Å; I39-I42 PolarHBondContact O-N 3.1Å; I39-I43 HydrophobicContact CG2-CD1 3.47Å; I39-I43 VanDerWaalsContact CG2-CD1 3.47Å; I39-I43 HydrophobicContact CG2-CG1 4.13Å; I39-I43 WeakPolarHBondContact O-CB 3.1Å; I39-I43 VanDerWaalsContact O-CG1 3.24Å; I39-I43 WeakPolarHBondContact O-CG1 3.43Å; I39-I43 PolarHBondContact O-N 3.49Å
40	A	50.2	Low	47.5	Very low	7 Å²	7	67.1 Å²	67.1	6%	0.058	36%	0.357	C	S	.	.	H	α-helix	trans	-60.6	-40.3	177.8	0	0	0	0	0	111.8	L36 W38 C44 F65	L36-A40 WeakPolarHBondContact O-CB 3.27Å; L36-A40 PolarHBondContact O-N 3.12Å; W38-A40 VanDerWaalsContact C-N 3.35Å; A40-C44 WeakPolarHBondContact O-CB 3.41Å; A40-C44 PolarHBondContact O-N 3.35Å; A40-C44 PolarHBondContact O-SG 3.5Å; A40-F65 HydrophobicContact CB-CD1 3.91Å; A40-F65 HydrophobicContact CB-CD2 3.81Å; A40-F65 HydrophobicContact CB-CE1 3.87Å; A40-F65 HydrophobicContact CB-CE2 3.77Å; A40-F65 HydrophobicContact CB-CG 3.9Å; A40-F65 HydrophobicContact CB-CZ 3.82Å
41	F	54	Low	47.8	Very low	27 Å²	27	68.6 Å²	68.6	12%	0.118	36%	0.361	C	S	.	.	H	α-helix	trans	-64.3	-45.2	175.6	-174.4	-103.4	0	0	0	112.2	G37 W38 I39 C44 L45 A96 F99 L100	G37-F41 WeakPolarHBondContact O-CB 3.46Å; G37-F41 PolarHBondContact O-N 3.28Å; W38-F41 HydrophobicContact CZ3-CD1 4.45Å; W38-F41 PolarHBondContact O-N 3.1Å; I39-F41 VanDerWaalsContact C-N 3.29Å; I39-F41 PolarHBondContact O-N 2.91Å; F41-C44 PolarHBondContact O-N 3.25Å; F41-L45 HydrophobicContact CD1-CD1 3.96Å; F41-L45 HydrophobicContact CE1-CD1 3.52Å; F41-L45 HydrophobicContact CE1-CG 4.31Å; F41-L45 HydrophobicContact CZ-CD1 4.03Å; F41-L45 HydrophobicContact CZ-CG 4.5Å; F41-L45 WeakPolarHBondContact O-CG 3.18Å; F41-L45 PolarHBondContact O-N 3.32Å; F41-A96 HydrophobicContact CD2-CB 3.79Å; F41-A96 HydrophobicContact CE2-CB 4.01Å; F41-F99 HydrophobicContact CE2-CD1 4.24Å; F41-F99 HydrophobicContact CZ-CD1 4.38Å; F41-L100 HydrophobicContact CD2-CD1 4.28Å; F41-L100 HydrophobicContact CE2-CD1 4.32Å
42	I	53.4	Low	47.9	Very low	62 Å²	62	73.6 Å²	73.6	32%	0.318	39%	0.388	S	S	.	.	H	α-helix	trans	-65.5	-42.5	177.9	-67.1	166.7	0	0	0	110.9	L7 W38 I39 C44 L45 S46	L7-I42 HydrophobicContact CD2-CD1 3.33Å; W38-I42 VanDerWaalsContact O-CG1 3.29Å; W38-I42 WeakPolarHBondContact O-CG1 3.39Å; W38-I42 PolarHBondContact O-N 3.29Å; I39-I42 PolarHBondContact O-N 3.1Å; I42-C44 VanDerWaalsContact C-N 3.32Å; I42-C44 PolarHBondContact O-N 2.84Å; I42-L45 PolarHBondContact O-N 3.23Å; I42-L45 VanDerWaalsContact O-N 3.13Å; I42-S46 PolarHBondContact O-N 3.48Å; I42-S46 PolarHBondContact O-OG 3.16Å
43	I	50.3	Low	48	Very low	77 Å²	77	71.5 Å²	71.5	40%	0.395	39%	0.386	S	S	.	.	H	α-helix	trans	-61.4	-41.3	175.7	-69.2	170	0	0	0	110.8	I39 L45 S46 L47	I39-I43 HydrophobicContact CG2-CD1 3.47Å; I39-I43 VanDerWaalsContact CG2-CD1 3.47Å; I39-I43 HydrophobicContact CG2-CG1 4.13Å; I39-I43 WeakPolarHBondContact O-CB 3.1Å; I39-I43 VanDerWaalsContact O-CG1 3.24Å; I39-I43 WeakPolarHBondContact O-CG1 3.43Å; I39-I43 PolarHBondContact O-N 3.49Å; I43-L45 VanDerWaalsContact C-N 3.28Å; I43-L45 PolarHBondContact O-N 2.8Å; I43-S46 PolarHBondContact O-N 3.38Å; I43-L47 HydrophobicContact CG2-CD1 3.65Å; I43-L47 HydrophobicContact CG2-CG 4.3Å; I43-L47 WeakPolarHBondContact O-CB 3.11Å; I43-L47 WeakPolarHBondContact O-CG 3.18Å; I43-L47 PolarHBondContact O-N 2.86Å
44	C	49.3	Very low	48.1	Very low	5 Å²	5	72.4 Å²	72.4	3%	0.034	39%	0.389	C	S	.	.	H	α-helix	trans	-64.7	-32.4	176	-68.1	0	0	0	0	112.5	A40 F41 I42 V58	A40-C44 WeakPolarHBondContact O-CB 3.41Å; A40-C44 PolarHBondContact O-N 3.35Å; A40-C44 PolarHBondContact O-SG 3.5Å; F41-C44 PolarHBondContact O-N 3.25Å; I42-C44 VanDerWaalsContact C-N 3.32Å; I42-C44 PolarHBondContact O-N 2.84Å; C44-V58 HydrophobicContact CB-CG1 4.17Å
45	L	50.3	Low	48.1	Very low	60 Å²	60	75.7 Å²	75.7	31%	0.314	41%	0.409	S	S	.	.	H	α-helix	trans	-74.4	-38.1	174.6	-69.1	178.4	0	0	0	112.4	F41 I42 I43 L47 A48 F99 P112	F41-L45 HydrophobicContact CD1-CD1 3.96Å; F41-L45 HydrophobicContact CE1-CD1 3.52Å; F41-L45 HydrophobicContact CE1-CG 4.31Å; F41-L45 HydrophobicContact CZ-CD1 4.03Å; F41-L45 HydrophobicContact CZ-CG 4.5Å; F41-L45 WeakPolarHBondContact O-CG 3.18Å; F41-L45 PolarHBondContact O-N 3.32Å; I42-L45 PolarHBondContact O-N 3.23Å; I42-L45 VanDerWaalsContact O-N 3.13Å; I43-L45 VanDerWaalsContact C-N 3.28Å; I43-L45 PolarHBondContact O-N 2.8Å; L45-L47 VanDerWaalsContact C-N 3.34Å; L45-A48 PolarHBondContact O-N 3.4Å; L45-F99 HydrophobicContact CD2-CE1 4.2Å; L45-P112 HydrophobicContact CD1-CG 4.16Å; L45-P112 HydrophobicContact CD2-CB 4.4Å; L45-P112 HydrophobicContact CD2-CG 3.41Å; L45-P112 VanDerWaalsContact CD2-CG 3.41Å; L45-P112 HydrophobicContact CG-CG 4.45Å
46	S	45.6	Very low	47.8	Very low	79 Å²	79	73.9 Å²	73.9	55%	0.552	41%	0.413	S	S	*	.	H	α-helix	trans	-73.4	-23	178.8	-60.2	0	0	0	0	113.9	I42 I43	I42-S46 PolarHBondContact O-N 3.48Å; I42-S46 PolarHBondContact O-OG 3.16Å; I43-S46 PolarHBondContact O-N 3.38Å
47	L	44.9	Very low	47.8	Very low	64 Å²	64	72.9 Å²	72.9	34%	0.335	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-8	176.5	-72.8	170.6	0	0	0	113.3	I43 L45 D49 V58	I43-L47 HydrophobicContact CG2-CD1 3.65Å; I43-L47 HydrophobicContact CG2-CG 4.3Å; I43-L47 WeakPolarHBondContact O-CB 3.11Å; I43-L47 WeakPolarHBondContact O-CG 3.18Å; I43-L47 PolarHBondContact O-N 2.86Å; L45-L47 VanDerWaalsContact C-N 3.34Å; L47-D49 VanDerWaalsContact C-N 3.33Å; L47-V58 HydrophobicContact CB-CG2 3.66Å; L47-V58 WeakPolarHBondContact O-CG2 3.13Å
48	A	45.6	Very low	47.5	Very low	45 Å²	45	72.6 Å²	72.6	37%	0.372	40%	0.402	S	S	.	.	S	Bend	trans	-88.9	-1.3	-179.9	0	0	0	0	0	113.2	L45 V58 L108	L45-A48 PolarHBondContact O-N 3.4Å; A48-V58 HydrophobicContact CB-CG2 4.3Å; A48-L108 HydrophobicContact CB-CD1 4.01Å
49	D	43.3	Very low	47.2	Very low	144 Å²	144	72.9 Å²	72.9	77%	0.77	41%	0.41	S	S	*	.	S	Bend	trans	-99.7	-6.2	-171.5	-149.3	23.8	0	0	0	113.6	L47	L47-D49 VanDerWaalsContact C-N 3.33Å
50	D	44.3	Very low	46.9	Very low	109 Å²	109	74.5 Å²	74.5	58%	0.583	42%	0.423	S	S	*	.	S	Bend	trans	-119	110.2	177.7	-78.8	-43.6	0	0	0	108.7	D54	D50-D54 VanDerWaalsContact O-CB 3.26Å; D50-D54 WeakPolarHBondContact O-CB 3.06Å; D50-D54 VanDerWaalsContact O-OD2 3.08Å
51	D	44.5	Very low	46.9	Very low	137 Å²	137	76.1 Å²	76.1	73%	0.733	43%	0.432	S	S	*	.			trans	61.9	137.7	164.1	-64.1	-40.2	0	0	0	120.4	D53 D54	D51-D53 PolarHBondContact O-N 2.87Å; D51-D54 PolarHBondContact O-N 3.43Å
52	D	48.7	Very low	46.7	Very low	157 Å²	157	76.6 Å²	76.6	84%	0.84	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-22.1	-179.7	-82.3	-51.4	0	0	0	114.1	T55	D52-T55 PolarHBondContact O-OG1 3.34Å; D52-T55 VanDerWaalsContact O-OG1 3.12Å
53	D	46.5	Very low	46.4	Very low	139 Å²	139	77.7 Å²	77.7	74%	0.743	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-24.9	179.1	-76.5	-37.8	0	0	0	114.1	D51 T55 S56	D51-D53 PolarHBondContact O-N 2.87Å; D53-T55 VanDerWaalsContact C-N 3.32Å; D53-T55 PolarHBondContact O-N 2.88Å; D53-S56 PolarHBondContact O-N 2.96Å; D53-S56 PolarHBondContact O-OG 3.32Å
54	D	43.9	Very low	46.4	Very low	51 Å²	51	80.2 Å²	80.2	27%	0.273	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-11.1	-176.8	-74.7	-21.2	0	0	0	113.5	D50 D51 S56 I57 V58	D50-D54 VanDerWaalsContact O-CB 3.26Å; D50-D54 WeakPolarHBondContact O-CB 3.06Å; D50-D54 VanDerWaalsContact O-OD2 3.08Å; D51-D54 PolarHBondContact O-N 3.43Å; D54-S56 PolarHBondContact O-N 2.86Å; D54-S56 VanDerWaalsContact O-N 3.11Å; D54-I57 PolarHBondContact O-N 3.3Å; D54-V58 WeakPolarHBondContact O-CG2 3.4Å; D54-V58 PolarHBondContact O-N 2.09Å
55	T	43.6	Very low	46.5	Very low	81 Å²	81	83.3 Å²	83.3	50%	0.497	46%	0.462	S	S	.	.	H	α-helix	trans	-53.1	-34.5	169.5	-41.9	0	0	0	0	111.3	D52 D53 V59	D52-T55 PolarHBondContact O-OG1 3.34Å; D52-T55 VanDerWaalsContact O-OG1 3.12Å; D53-T55 VanDerWaalsContact C-N 3.32Å; D53-T55 PolarHBondContact O-N 2.88Å; T55-V59 WeakPolarHBondContact O-CB 3.14Å; T55-V59 WeakPolarHBondContact O-CG2 3.23Å; T55-V59 PolarHBondContact O-N 2.78Å
56	S	42.7	Very low	46.4	Very low	73 Å²	73	82 Å²	82	51%	0.51	46%	0.457	S	S	.	.	H	α-helix	trans	-66.6	-37.1	177	70.8	0	0	0	0	112.8	D53 D54 T60	D53-S56 PolarHBondContact O-N 2.96Å; D53-S56 PolarHBondContact O-OG 3.32Å; D54-S56 PolarHBondContact O-N 2.86Å; D54-S56 VanDerWaalsContact O-N 3.11Å; S56-T60 VanDerWaalsContact O-CB 3.28Å; S56-T60 WeakPolarHBondContact O-CB 3.34Å; S56-T60 PolarHBondContact O-N 2.96Å; S56-T60 PolarHBondContact O-OG1 3.3Å
57	I	46	Very low	46.5	Very low	80 Å²	80	84.7 Å²	84.7	41%	0.41	47%	0.465	S	S	.	.	H	α-helix	trans	-74.2	-44.9	178.6	-63	177.3	0	0	0	109.6	D54 V59 T60 V61	D54-I57 PolarHBondContact O-N 3.3Å; I57-V59 VanDerWaalsContact C-N 3.33Å; I57-V59 PolarHBondContact O-N 3.36Å; I57-T60 PolarHBondContact O-N 3.34Å; I57-T60 VanDerWaalsContact O-N 3.13Å; I57-V61 HydrophobicContact CG2-CG2 4.11Å; I57-V61 WeakPolarHBondContact O-CB 3.44Å; I57-V61 VanDerWaalsContact O-CG2 3.28Å; I57-V61 WeakPolarHBondContact O-CG2 3.41Å; I57-V61 PolarHBondContact O-N 3.44Å
58	V	45.3	Very low	46.7	Very low	10 Å²	10	84.7 Å²	84.7	6%	0.061	47%	0.465	C	S	.	.	H	α-helix	trans	-57.8	-46.9	175.8	177.9	0	0	0	0	110.5	C44 L47 A48 D54 T60 F62	C44-V58 HydrophobicContact CB-CG1 4.17Å; L47-V58 HydrophobicContact CB-CG2 3.66Å; L47-V58 WeakPolarHBondContact O-CG2 3.13Å; A48-V58 HydrophobicContact CB-CG2 4.3Å; D54-V58 WeakPolarHBondContact O-CG2 3.4Å; D54-V58 PolarHBondContact O-N 2.09Å; V58-T60 PolarHBondContact O-N 3.1Å; V58-F62 WeakPolarHBondContact O-CB 3.5Å; V58-F62 PolarHBondContact O-N 3.27Å
59	V	46.3	Very low	46.9	Very low	65 Å²	65	83.6 Å²	83.6	39%	0.394	45%	0.454	S	S	.	.	H	α-helix	trans	-65.8	-35.7	177	172.3	0	0	0	0	112	T55 I57 F62 N63	T55-V59 WeakPolarHBondContact O-CB 3.14Å; T55-V59 WeakPolarHBondContact O-CG2 3.23Å; T55-V59 PolarHBondContact O-N 2.78Å; I57-V59 VanDerWaalsContact C-N 3.33Å; I57-V59 PolarHBondContact O-N 3.36Å; V59-F62 PolarHBondContact O-N 2.57Å; V59-N63 VanDerWaalsContact O-CB 3.3Å; V59-N63 WeakPolarHBondContact O-CB 3.47Å; V59-N63 PolarHBondContact O-N 2.97Å; V59-N63 PolarHBondContact O-ND2 2.76Å
60	T	46.9	Very low	47	Very low	92 Å²	92	80 Å²	80	56%	0.564	44%	0.439	S	S	*	.	H	α-helix	trans	-72.3	-47.8	179.5	-61.8	0	0	0	0	112.2	S56 I57 V58 F62 N63 F64	S56-T60 VanDerWaalsContact O-CB 3.28Å; S56-T60 WeakPolarHBondContact O-CB 3.34Å; S56-T60 PolarHBondContact O-N 2.96Å; S56-T60 PolarHBondContact O-OG1 3.3Å; I57-T60 PolarHBondContact O-N 3.34Å; I57-T60 VanDerWaalsContact O-N 3.13Å; V58-T60 PolarHBondContact O-N 3.1Å; T60-F62 PolarHBondContact O-N 3.08Å; T60-N63 PolarHBondContact O-N 3.46Å; T60-F64 WeakPolarHBondContact O-CB 3.2Å; T60-F64 PolarHBondContact O-N 3.23Å
61	V	49.5	Very low	47.2	Very low	41 Å²	41	79.6 Å²	79.6	25%	0.248	44%	0.436	C	S	.	.	H	α-helix	trans	-59.2	-40.6	173.2	173.2	0	0	0	0	109.2	I57 F64 F65	I57-V61 HydrophobicContact CG2-CG2 4.11Å; I57-V61 WeakPolarHBondContact O-CB 3.44Å; I57-V61 VanDerWaalsContact O-CG2 3.28Å; I57-V61 WeakPolarHBondContact O-CG2 3.41Å; I57-V61 PolarHBondContact O-N 3.44Å; V61-F64 WeakPolarHBondContact O-CB 3.07Å; V61-F64 PolarHBondContact O-N 2.84Å; V61-F65 HydrophobicContact CG1-CD2 3.66Å; V61-F65 HydrophobicContact CG1-CE2 3.53Å; V61-F65 WeakPolarHBondContact O-CD2 3.16Å; V61-F65 PolarHBondContact O-N 3.2Å
62	F	49.1	Very low	47.3	Very low	38 Å²	38	77.6 Å²	77.6	17%	0.167	42%	0.421	C	S	.	.	H	α-helix	trans	-68.9	-39.2	177.1	-173.6	-110.3	0	0	0	113.9	V58 V59 T60 F64 F65 S66 L100	V58-F62 WeakPolarHBondContact O-CB 3.5Å; V58-F62 PolarHBondContact O-N 3.27Å; V59-F62 PolarHBondContact O-N 2.57Å; T60-F62 PolarHBondContact O-N 3.08Å; F62-F64 VanDerWaalsContact C-N 3.33Å; F62-F65 PolarHBondContact O-N 2.73Å; F62-S66 WeakPolarHBondContact CE1-OG 3.17Å; F62-S66 VanDerWaalsContact CZ-OG 3.27Å; F62-S66 WeakPolarHBondContact CZ-OG 3.41Å; F62-S66 WeakPolarHBondContact O-CA 3.33Å; F62-S66 WeakPolarHBondContact O-CB 3.16Å; F62-S66 PolarHBondContact O-N 2.98Å; F62-S66 PolarHBondContact O-OG 3.3Å; F62-L100 HydrophobicContact CD1-CB 4.04Å; F62-L100 HydrophobicContact CD1-CD1 4.42Å; F62-L100 HydrophobicContact CD2-CD1 3.43Å; F62-L100 VanDerWaalsContact CD2-CD1 3.43Å; F62-L100 HydrophobicContact CD2-CD2 4.39Å; F62-L100 HydrophobicContact CD2-CG 4.29Å; F62-L100 HydrophobicContact CE1-CB 3.44Å; F62-L100 VanDerWaalsContact CE1-CB 3.44Å; F62-L100 HydrophobicContact CE1-CD1 4.02Å; F62-L100 HydrophobicContact CE1-CG 4.18Å; F62-L100 HydrophobicContact CE2-CB 4.11Å; F62-L100 HydrophobicContact CE2-CD1 2.96Å; F62-L100 HydrophobicContact CE2-CG 3.98Å; F62-L100 HydrophobicContact CG-CD1 4.16Å; F62-L100 HydrophobicContact CG-CD2 4.42Å; F62-L100 HydrophobicContact CZ-CB 3.48Å; F62-L100 VanDerWaalsContact CZ-CB 3.48Å; F62-L100 HydrophobicContact CZ-CD1 3.28Å; F62-L100 HydrophobicContact CZ-CG 3.88Å
63	N	47.5	Very low	47	Very low	84 Å²	84	71.2 Å²	71.2	45%	0.449	39%	0.39	S	S	.	.	H	α-helix	trans	-65	-39.6	172.7	-84.8	-31.3	0	0	0	111.1	V59 T60 S66 L67	V59-N63 VanDerWaalsContact O-CB 3.3Å; V59-N63 WeakPolarHBondContact O-CB 3.47Å; V59-N63 PolarHBondContact O-N 2.97Å; V59-N63 PolarHBondContact O-ND2 2.76Å; T60-N63 PolarHBondContact O-N 3.46Å; N63-S66 PolarHBondContact O-N 3.35Å; N63-L67 VanDerWaalsContact O-CB 3.3Å; N63-L67 WeakPolarHBondContact O-CB 3.5Å; N63-L67 WeakPolarHBondContact O-CD1 3.39Å; N63-L67 VanDerWaalsContact O-CG 3.23Å; N63-L67 WeakPolarHBondContact O-CG 3.41Å; N63-L67 PolarHBondContact O-N 3.19Å
64	F	49.5	Very low	46.9	Very low	131 Å²	131	70 Å²	70	58%	0.575	38%	0.383	S	S	*	.	H	α-helix	trans	-61.5	-48.1	174.7	-174.8	-98.3	0	0	0	111.1	T60 V61 F62 S66 L67 L68	T60-F64 WeakPolarHBondContact O-CB 3.2Å; T60-F64 PolarHBondContact O-N 3.23Å; V61-F64 WeakPolarHBondContact O-CB 3.07Å; V61-F64 PolarHBondContact O-N 2.84Å; F62-F64 VanDerWaalsContact C-N 3.33Å; F64-S66 PolarHBondContact O-N 2.73Å; F64-L67 PolarHBondContact O-N 2.93Å; F64-L68 HydrophobicContact CD1-CD1 3.76Å; F64-L68 HydrophobicContact CE1-CD1 3.37Å; F64-L68 HydrophobicContact CE2-CD1 4.34Å; F64-L68 HydrophobicContact CG-CD1 4.4Å; F64-L68 HydrophobicContact CZ-CD1 3.7Å; F64-L68 WeakPolarHBondContact O-CB 3.31Å; F64-L68 VanDerWaalsContact O-CG 3.28Å; F64-L68 WeakPolarHBondContact O-CG 3.3Å; F64-L68 PolarHBondContact O-N 3.3Å; F64-L68 VanDerWaalsContact O-N 3.15Å
65	F	52.4	Low	46.7	Very low	70 Å²	70	75.8 Å²	75.8	31%	0.307	40%	0.401	S	S	.	.	H	α-helix	trans	-65.9	-37.5	174.4	-79	-66	0	0	0	112.2	A40 V61 F62 L68 S69	A40-F65 HydrophobicContact CB-CD1 3.91Å; A40-F65 HydrophobicContact CB-CD2 3.81Å; A40-F65 HydrophobicContact CB-CE1 3.87Å; A40-F65 HydrophobicContact CB-CE2 3.77Å; A40-F65 HydrophobicContact CB-CG 3.9Å; A40-F65 HydrophobicContact CB-CZ 3.82Å; V61-F65 HydrophobicContact CG1-CD2 3.66Å; V61-F65 HydrophobicContact CG1-CE2 3.53Å; V61-F65 WeakPolarHBondContact O-CD2 3.16Å; V61-F65 PolarHBondContact O-N 3.2Å; F62-F65 PolarHBondContact O-N 2.73Å; F65-L68 CarbonylContact O-C 3.58Å; F65-L68 PolarHBondContact O-N 2.82Å; F65-S69 VanDerWaalsContact O-CA 3.3Å; F65-S69 WeakPolarHBondContact O-CA 2.98Å; F65-S69 WeakPolarHBondContact O-CB 3.29Å; F65-S69 PolarHBondContact O-N 3.31Å
66	S	47.9	Very low	46.6	Very low	32 Å²	32	72 Å²	72	22%	0.224	38%	0.378	C	S	.	.	H	α-helix	trans	-70.5	-31.3	179.4	-68	0	0	0	0	113.5	F62 N63 F64 S69 P70	F62-S66 WeakPolarHBondContact CE1-OG 3.17Å; F62-S66 VanDerWaalsContact CZ-OG 3.27Å; F62-S66 WeakPolarHBondContact CZ-OG 3.41Å; F62-S66 WeakPolarHBondContact O-CA 3.33Å; F62-S66 WeakPolarHBondContact O-CB 3.16Å; F62-S66 PolarHBondContact O-N 2.98Å; F62-S66 PolarHBondContact O-OG 3.3Å; N63-S66 PolarHBondContact O-N 3.35Å; F64-S66 PolarHBondContact O-N 2.73Å; S66-S69 PolarHBondContact O-N 3.31Å; S66-S69 PolarHBondContact O-OG 2.91Å; S66-P70 VanDerWaalsContact O-CD 3.26Å; S66-P70 WeakPolarHBondContact O-CD 3.3Å
67	L	48.1	Very low	46.4	Very low	136 Å²	136	69.7 Å²	69.7	71%	0.712	36%	0.363	S	S	*	.	H	α-helix	trans	-73.4	-37.8	173.3	-78.1	163.6	0	0	0	111.7	N63 F64 S69 P70	N63-L67 VanDerWaalsContact O-CB 3.3Å; N63-L67 WeakPolarHBondContact O-CB 3.5Å; N63-L67 WeakPolarHBondContact O-CD1 3.39Å; N63-L67 VanDerWaalsContact O-CG 3.23Å; N63-L67 WeakPolarHBondContact O-CG 3.41Å; N63-L67 PolarHBondContact O-N 3.19Å; F64-L67 PolarHBondContact O-N 2.93Å; L67-S69 VanDerWaalsContact C-N 3.34Å; L67-P70 WeakPolarHBondContact O-CD 3.35Å
68	L	49.1	Very low	46.1	Very low	63 Å²	63	73.3 Å²	73.3	33%	0.33	38%	0.376	S	S	.	.	H	α-helix	trans	-74.2	-29.8	172.5	-66.3	173.6	0	0	0	110.7	F64 F65 P70 I71 F72	F64-L68 HydrophobicContact CD1-CD1 3.76Å; F64-L68 HydrophobicContact CE1-CD1 3.37Å; F64-L68 HydrophobicContact CE2-CD1 4.34Å; F64-L68 HydrophobicContact CG-CD1 4.4Å; F64-L68 HydrophobicContact CZ-CD1 3.7Å; F64-L68 WeakPolarHBondContact O-CB 3.31Å; F64-L68 VanDerWaalsContact O-CG 3.28Å; F64-L68 WeakPolarHBondContact O-CG 3.3Å; F64-L68 PolarHBondContact O-N 3.3Å; F64-L68 VanDerWaalsContact O-N 3.15Å; F65-L68 CarbonylContact O-C 3.58Å; F65-L68 PolarHBondContact O-N 2.82Å; L68-P70 VanDerWaalsContact C-CD 3.43Å; L68-I71 PolarHBondContact O-N 3.41Å; L68-F72 HydrophobicContact CB-CD2 3.75Å; L68-F72 HydrophobicContact CB-CE2 3.92Å; L68-F72 HydrophobicContact CD2-CE2 4.21Å; L68-F72 HydrophobicContact CG-CE2 4.46Å; L68-F72 VanDerWaalsContact O-CD2 3.25Å; L68-F72 WeakPolarHBondContact O-CD2 3.25Å; L68-F72 PolarHBondContact O-N 2.94Å
69	S	50.1	Low	45.8	Very low	22 Å²	22	78.2 Å²	78.2	15%	0.154	40%	0.402	C	S	.	.	H	α-helix	trans	-60.8	-35	-167.6	79.7	0	0	0	0	116.6	F65 S66 L67 I71 F72 A73 W93	F65-S69 VanDerWaalsContact O-CA 3.3Å; F65-S69 WeakPolarHBondContact O-CA 2.98Å; F65-S69 WeakPolarHBondContact O-CB 3.29Å; F65-S69 PolarHBondContact O-N 3.31Å; S66-S69 PolarHBondContact O-N 3.31Å; S66-S69 PolarHBondContact O-OG 2.91Å; L67-S69 VanDerWaalsContact C-N 3.34Å; S69-I71 VanDerWaalsContact C-N 3.31Å; S69-I71 PolarHBondContact O-N 3.47Å; S69-F72 PolarHBondContact O-N 3.4Å; S69-A73 WeakPolarHBondContact O-CA 3.32Å; S69-A73 WeakPolarHBondContact O-CB 3.28Å; S69-A73 PolarHBondContact O-N 2.85Å; S69-W93 VanDerWaalsContact CB-CZ3 3.5Å
70	P	46	Very low	45.6	Very low	68 Å²	68	75.5 Å²	75.5	44%	0.442	39%	0.385	S	S	.	.	H	α-helix	trans	-70.2	-39.4	-178.1	-12.5	28.7	0	0	0	108.9	S66 L67 L68 L74	S66-P70 VanDerWaalsContact O-CD 3.26Å; S66-P70 WeakPolarHBondContact O-CD 3.3Å; L67-P70 WeakPolarHBondContact O-CD 3.35Å; L68-P70 VanDerWaalsContact C-CD 3.43Å; P70-L74 WeakPolarHBondContact O-CB 3.14Å; P70-L74 VanDerWaalsContact O-CD1 3.32Å; P70-L74 WeakPolarHBondContact O-CD1 2.97Å; P70-L74 VanDerWaalsContact O-CG 3.28Å; P70-L74 WeakPolarHBondContact O-CG 3.35Å; P70-L74 PolarHBondContact O-N 3.3Å
71	I	46.9	Very low	45.2	Very low	102 Å²	102	76.3 Å²	76.3	52%	0.523	40%	0.401	S	S	.	.	H	α-helix	trans	-67.7	-43.9	177.3	-59.1	173.8	0	0	0	109.7	L68 S69 R75	L68-I71 PolarHBondContact O-N 3.41Å; S69-I71 VanDerWaalsContact C-N 3.31Å; S69-I71 PolarHBondContact O-N 3.47Å; I71-R75 WeakPolarHBondContact O-CB 3.39Å; I71-R75 VanDerWaalsContact O-CG 3.23Å; I71-R75 WeakPolarHBondContact O-CG 3.44Å; I71-R75 PolarHBondContact O-N 3.39Å
72	F	46.4	Very low	45.3	Very low	94 Å²	94	78 Å²	78	41%	0.412	41%	0.408	S	S	.	.	H	α-helix	trans	-73.1	-35.7	178.2	-82.4	-80.4	0	0	0	113.3	L68 S69 S76	L68-F72 HydrophobicContact CB-CD2 3.75Å; L68-F72 HydrophobicContact CB-CE2 3.92Å; L68-F72 HydrophobicContact CD2-CE2 4.21Å; L68-F72 HydrophobicContact CG-CE2 4.46Å; L68-F72 VanDerWaalsContact O-CD2 3.25Å; L68-F72 WeakPolarHBondContact O-CD2 3.25Å; L68-F72 PolarHBondContact O-N 2.94Å; S69-F72 PolarHBondContact O-N 3.4Å; F72-S76 WeakPolarHBondContact O-CB 3.44Å; F72-S76 PolarHBondContact O-N 2.98Å; F72-S76 PolarHBondContact O-OG 3.39Å
73	A	43.1	Very low	45.3	Very low	24 Å²	24	86.2 Å²	86.2	20%	0.198	44%	0.438	C	S	.	.	H	α-helix	trans	-73.1	-40.7	177.1	0	0	0	0	0	111.4	S69 S76 A77 W93	S69-A73 WeakPolarHBondContact O-CA 3.32Å; S69-A73 WeakPolarHBondContact O-CB 3.28Å; S69-A73 PolarHBondContact O-N 2.85Å; A73-S76 WeakPolarHBondContact CA-OG 3.29Å; A73-S76 PolarHBondContact O-OG 3.3Å; A73-A77 WeakPolarHBondContact O-CB 3.34Å; A73-A77 PolarHBondContact O-N 3.3Å; A73-W93 HydrophobicContact CB-CD2 4.43Å; A73-W93 HydrophobicContact CB-CG 4.25Å
74	L	43.7	Very low	45.1	Very low	114 Å²	114	86.5 Å²	86.5	60%	0.597	44%	0.437	S	S	*	.	H	α-helix	trans	-64.9	-44.1	171.5	-80.3	158	0	0	0	110.9	P70 F78	P70-L74 WeakPolarHBondContact O-CB 3.14Å; P70-L74 VanDerWaalsContact O-CD1 3.32Å; P70-L74 WeakPolarHBondContact O-CD1 2.97Å; P70-L74 VanDerWaalsContact O-CG 3.28Å; P70-L74 WeakPolarHBondContact O-CG 3.35Å; P70-L74 PolarHBondContact O-N 3.3Å; L74-F78 WeakPolarHBondContact O-CB 3.18Å; L74-F78 WeakPolarHBondContact O-CD2 3.31Å; L74-F78 PolarHBondContact O-N 2.68Å
75	R	40.6	Very low	44.9	Very low	171 Å²	171	80.8 Å²	80.8	65%	0.645	41%	0.413	S	S	*	.	H	α-helix	trans	-66.3	-43.2	176.2	-79.2	-176.4	166.7	-170.4	-2.7	112.3	I71 F78 L79	I71-R75 WeakPolarHBondContact O-CB 3.39Å; I71-R75 VanDerWaalsContact O-CG 3.23Å; I71-R75 WeakPolarHBondContact O-CG 3.44Å; I71-R75 PolarHBondContact O-N 3.39Å; R75-F78 PolarHBondContact O-N 2.9Å; R75-L79 WeakPolarHBondContact O-CB 3.39Å; R75-L79 WeakPolarHBondContact O-CG 3.23Å; R75-L79 PolarHBondContact O-N 3.26Å
76	S	40.6	Very low	44.7	Very low	1 Å²	1	81.9 Å²	81.9	1%	0.007	42%	0.415	C	S	.	.	H	α-helix	trans	-71.3	-35.8	178.6	52.6	0	0	0	0	112.1	T33 F72 A73 L79 L80	T33-S76 VanDerWaalsContact OG1-CB 3.3Å; T33-S76 WeakPolarHBondContact OG1-CB 3.19Å; F72-S76 WeakPolarHBondContact O-CB 3.44Å; F72-S76 PolarHBondContact O-N 2.98Å; F72-S76 PolarHBondContact O-OG 3.39Å; A73-S76 WeakPolarHBondContact CA-OG 3.29Å; A73-S76 PolarHBondContact O-OG 3.3Å; S76-L79 PolarHBondContact O-N 3.02Å; S76-L80 WeakPolarHBondContact O-CD1 3.42Å; S76-L80 WeakPolarHBondContact O-CG 3.48Å; S76-L80 PolarHBondContact O-N 2.92Å; S76-L80 VanDerWaalsContact O-N 3.12Å
77	A	39.4	Very low	44.6	Very low	25 Å²	25	83.6 Å²	83.6	21%	0.207	42%	0.424	C	S	.	.	H	α-helix	trans	-60.5	-45.1	167.2	0	0	0	0	0	111.1	A73 L79 L80 R86	A73-A77 WeakPolarHBondContact O-CB 3.34Å; A73-A77 PolarHBondContact O-N 3.3Å; A77-L79 VanDerWaalsContact C-N 3.29Å; A77-L79 PolarHBondContact O-N 3.07Å; A77-L80 PolarHBondContact O-N 2.89Å; A77-R86 HydrophobicContact CB-CB 4.34Å; A77-R86 HydrophobicContact CB-CG 4.38Å; A77-R86 WeakPolarHBondContact O-CD 3.27Å; A77-R86 WeakPolarHBondContact O-CG 3.37Å; A77-R86 PolarHBondContact O-NE 3.33Å
78	F	40.7	Very low	44.7	Very low	157 Å²	157	79.7 Å²	79.7	69%	0.689	40%	0.4	S	S	*	.	H	α-helix	trans	-63.4	-33.4	176.1	-103.7	-91	0	0	0	113.6	L74 R75 L80 R86	L74-F78 WeakPolarHBondContact O-CB 3.18Å; L74-F78 WeakPolarHBondContact O-CD2 3.31Å; L74-F78 PolarHBondContact O-N 2.68Å; R75-F78 PolarHBondContact O-N 2.9Å; F78-L80 VanDerWaalsContact C-N 3.33Å; F78-R86 PolarHBondContact O-NH2 3.43Å; F78-R86 VanDerWaalsContact O-NH2 3.1Å
79	L	37.8	Very low	44.7	Very low	113 Å²	113	77.2 Å²	77.2	59%	0.592	39%	0.388	S	S	*	.	H	α-helix	trans	-79.4	-11.4	179.3	-71	169.4	0	0	0	114.2	N31 R75 S76 A77	N31-L79 PolarHBondContact ND2-O 3.34Å; R75-L79 WeakPolarHBondContact O-CB 3.39Å; R75-L79 WeakPolarHBondContact O-CG 3.23Å; R75-L79 PolarHBondContact O-N 3.26Å; S76-L79 PolarHBondContact O-N 3.02Å; A77-L79 VanDerWaalsContact C-N 3.29Å; A77-L79 PolarHBondContact O-N 3.07Å
80	L	43.1	Very low	44.7	Very low	8 Å²	8	77.3 Å²	77.3	4%	0.042	39%	0.393	C	S	.	.			trans	-82.9	118.6	174.5	-70.3	162.6	0	0	0	108.7	N31 S76 A77 F78 D82 S85 R86 C89	N31-L80 HydrophobicContact CB-CD2 4.04Å; S76-L80 WeakPolarHBondContact O-CD1 3.42Å; S76-L80 WeakPolarHBondContact O-CG 3.48Å; S76-L80 PolarHBondContact O-N 2.92Å; S76-L80 VanDerWaalsContact O-N 3.12Å; A77-L80 PolarHBondContact O-N 2.89Å; F78-L80 VanDerWaalsContact C-N 3.33Å; L80-D82 PolarHBondContact O-N 3.41Å; L80-S85 WeakPolarHBondContact CD1-O 3.47Å; L80-R86 HydrophobicContact CB-CG 3.82Å; L80-R86 PolarHBondContact O-NE 3.05Å; L80-R86 PolarHBondContact O-NH2 2.89Å; L80-C89 HydrophobicContact CD1-CB 3.89Å
81	A	37.9	Very low	45	Very low	108 Å²	108	76.7 Å²	76.7	89%	0.893	38%	0.384	S	S	*	.	S	Bend	trans	-64.1	-27.3	-178.4	0	0	0	0	0	112.6
82	D	51.6	Low	45.3	Very low	76 Å²	76	72.8 Å²	72.8	41%	0.406	37%	0.365	S	S	.	.	S	Bend	trans	-109.8	134.3	-174.2	175	61.7	0	0	0	112.4	L80 Q84 S85 R86	L80-D82 PolarHBondContact O-N 3.41Å; D82-Q84 PolarHBondContact O-N 3.33Å; D82-Q84 WeakPolarHBondContact OD2-CA 2.85Å; D82-Q84 WeakPolarHBondContact OD2-CB 3Å; D82-Q84 PolarHBondContact OD2-N 3.15Å; D82-S85 WeakPolarHBondContact O-CB 3.43Å; D82-S85 PolarHBondContact O-N 3.05Å; D82-S85 VanDerWaalsContact O-N 3.15Å; D82-S85 PolarHBondContact OD2-N 3.2Å; D82-S85 VanDerWaalsContact OD2-N 3.16Å; D82-S85 PolarHBondContact OD2-OG 3.03Å; D82-R86 PolarHBondContact O-N 2.9Å
83	R	49.3	Very low	45.6	Very low	211 Å²	211	70.9 Å²	70.9	80%	0.796	36%	0.355	S	S	*	.	H	α-helix	trans	-60.1	-34.9	-177.5	-172.1	178.3	-177.8	-179.7	0.7	111.5	R86 V87	R83-R86 WeakPolarHBondContact O-CB 3.49Å; R83-R86 PolarHBondContact O-N 3.46Å; R83-V87 VanDerWaalsContact O-CG2 3.26Å; R83-V87 WeakPolarHBondContact O-CG2 3.11Å; R83-V87 PolarHBondContact O-N 3.21Å; R83-V87 VanDerWaalsContact O-N 3.15Å
84	Q	44.1	Very low	46.1	Very low	90 Å²	90	77.3 Å²	77.3	42%	0.421	38%	0.375	S	S	.	.	H	α-helix	trans	-66.5	-43.9	179	-150	176.1	-0.1	0	0	110.3	D82 R86 V87 Y88 P119	D82-Q84 PolarHBondContact O-N 3.33Å; D82-Q84 WeakPolarHBondContact OD2-CA 2.85Å; D82-Q84 WeakPolarHBondContact OD2-CB 3Å; D82-Q84 PolarHBondContact OD2-N 3.15Å; Q84-R86 VanDerWaalsContact C-N 3.3Å; Q84-R86 PolarHBondContact O-N 3.35Å; Q84-V87 WeakPolarHBondContact O-CB 3.36Å; Q84-V87 PolarHBondContact O-N 3.49Å; Q84-V87 VanDerWaalsContact O-N 3.12Å; Q84-Y88 HydrophobicContact CG-CD2 4.11Å; Q84-Y88 HydrophobicContact CG-CE2 3.77Å; Q84-Y88 WeakPolarHBondContact O-CD2 3.13Å; Q84-Y88 PolarHBondContact O-N 2.76Å; Q84-P119 HydrophobicContact CG-CG 4.45Å; Q84-P119 VanDerWaalsContact NE2-CG 3.35Å
85	S	45.3	Very low	46.5	Very low	11 Å²	11	71.9 Å²	71.9	8%	0.077	35%	0.347	C	S	.	.	H	α-helix	trans	-59.7	-39.4	176.9	-49.4	0	0	0	0	112.6	A28 L80 D82 V87 Y88 C89	A28-S85 WeakPolarHBondContact CB-OG 3.26Å; L80-S85 WeakPolarHBondContact CD1-O 3.47Å; D82-S85 WeakPolarHBondContact O-CB 3.43Å; D82-S85 PolarHBondContact O-N 3.05Å; D82-S85 VanDerWaalsContact O-N 3.15Å; D82-S85 PolarHBondContact OD2-N 3.2Å; D82-S85 VanDerWaalsContact OD2-N 3.16Å; D82-S85 PolarHBondContact OD2-OG 3.03Å; S85-V87 VanDerWaalsContact C-N 3.35Å; S85-Y88 PolarHBondContact O-N 3.46Å; S85-C89 PolarHBondContact O-N 2.88Å
86	R	47.1	Very low	47.1	Very low	93 Å²	93	64.4 Å²	64.4	35%	0.351	32%	0.322	S	S	.	.	H	α-helix	trans	-60.5	-46.3	174.2	-61.4	-173.7	-176.6	-166.7	-9.9	111.7	A77 F78 L80 D82 R83 Q84 Y88 C89 G90	A77-R86 HydrophobicContact CB-CB 4.34Å; A77-R86 HydrophobicContact CB-CG 4.38Å; A77-R86 WeakPolarHBondContact O-CD 3.27Å; A77-R86 WeakPolarHBondContact O-CG 3.37Å; A77-R86 PolarHBondContact O-NE 3.33Å; F78-R86 PolarHBondContact O-NH2 3.43Å; F78-R86 VanDerWaalsContact O-NH2 3.1Å; L80-R86 HydrophobicContact CB-CG 3.82Å; L80-R86 PolarHBondContact O-NE 3.05Å; L80-R86 PolarHBondContact O-NH2 2.89Å; D82-R86 PolarHBondContact O-N 2.9Å; R83-R86 WeakPolarHBondContact O-CB 3.49Å; R83-R86 PolarHBondContact O-N 3.46Å; Q84-R86 VanDerWaalsContact C-N 3.3Å; Q84-R86 PolarHBondContact O-N 3.35Å; R86-Y88 VanDerWaalsContact C-N 3.35Å; R86-C89 PolarHBondContact O-N 3.24Å; R86-G90 PolarHBondContact O-N 3.4Å
87	V	47	Very low	47.8	Very low	68 Å²	68	70.4 Å²	70.4	41%	0.412	34%	0.344	S	S	.	.	H	α-helix	trans	-61.7	-45.7	177.9	173.3	0	0	0	0	109.6	R83 Q84 S85 G90 H91	R83-V87 VanDerWaalsContact O-CG2 3.26Å; R83-V87 WeakPolarHBondContact O-CG2 3.11Å; R83-V87 PolarHBondContact O-N 3.21Å; R83-V87 VanDerWaalsContact O-N 3.15Å; Q84-V87 WeakPolarHBondContact O-CB 3.36Å; Q84-V87 PolarHBondContact O-N 3.49Å; Q84-V87 VanDerWaalsContact O-N 3.12Å; S85-V87 VanDerWaalsContact C-N 3.35Å; V87-G90 PolarHBondContact O-N 3.28Å; V87-H91 WeakPolarHBondContact CG1-CE1 3.35Å; V87-H91 VanDerWaalsContact CG1-ND1 3.27Å; V87-H91 WeakPolarHBondContact CG1-ND1 3.12Å; V87-H91 WeakPolarHBondContact O-CB 3.47Å; V87-H91 PolarHBondContact O-N 2.02Å; V87-H91 PolarHBondContact O-ND1 2.93Å
88	Y	48.4	Very low	48.4	Very low	55 Å²	55	71 Å²	71	22%	0.216	35%	0.347	C	S	.	.	H	α-helix	trans	-62.1	-49.4	177.1	-81.5	-72.4	0	0	0	113.7	Q84 S85 R86 G90 H91 V92 I116 P119	Q84-Y88 HydrophobicContact CG-CD2 4.11Å; Q84-Y88 HydrophobicContact CG-CE2 3.77Å; Q84-Y88 WeakPolarHBondContact O-CD2 3.13Å; Q84-Y88 PolarHBondContact O-N 2.76Å; S85-Y88 PolarHBondContact O-N 3.46Å; R86-Y88 VanDerWaalsContact C-N 3.35Å; Y88-G90 VanDerWaalsContact C-N 3.29Å; Y88-G90 PolarHBondContact O-N 3.49Å; Y88-H91 PolarHBondContact O-N 3.39Å; Y88-H91 VanDerWaalsContact O-N 3.16Å; Y88-V92 WeakPolarHBondContact O-CG2 3.3Å; Y88-V92 PolarHBondContact O-N 2.94Å; Y88-I116 HydrophobicContact CD1-CG2 4.05Å; Y88-I116 HydrophobicContact CE1-CG2 3.89Å; Y88-P119 HydrophobicContact CE1-CG 3.77Å; Y88-P119 HydrophobicContact CE2-CG 3.66Å; Y88-P119 WeakPolarHBondContact OH-CD 3.23Å; Y88-P119 WeakPolarHBondContact OH-CG 3.4Å
89	C	50.2	Low	49.1	Very low	10 Å²	10	64.1 Å²	64.1	7%	0.068	32%	0.317	C	S	.	.	H	α-helix	trans	-63.1	-43.1	-179	-158.4	0	0	0	0	109	C34 L80 S85 R86 H91 V92 W93	C34-C89 WeakPolarHBondContact CB-SG 3.48Å; C34-C89 WeakPolarHBondContact SG-CB 3.49Å; C34-C89 CovalentContact SG-SG 2.09Å; C34-C89 PolarHBondContact SG-SG 3.4Å; L80-C89 HydrophobicContact CD1-CB 3.89Å; S85-C89 PolarHBondContact O-N 2.88Å; R86-C89 PolarHBondContact O-N 3.24Å; C89-H91 PolarHBondContact O-N 2.87Å; C89-V92 PolarHBondContact O-N 2.83Å; C89-W93 WeakPolarHBondContact O-CB 3.25Å; C89-W93 PolarHBondContact O-N 3.25Å
90	G	49.7	Very low	49.8	Very low	25 Å²	25	59.7 Å²	59.7	26%	0.258	29%	0.293	S	S	.	.	H	α-helix	trans	-54.9	-45.9	171.6	0	0	0	0	0	113.5	R86 V87 Y88 W93 Y94	R86-G90 PolarHBondContact O-N 3.4Å; V87-G90 PolarHBondContact O-N 3.28Å; Y88-G90 VanDerWaalsContact C-N 3.29Å; Y88-G90 PolarHBondContact O-N 3.49Å; G90-W93 WeakPolarHBondContact O-CB 3.42Å; G90-W93 PolarHBondContact O-N 3.29Å; G90-Y94 WeakPolarHBondContact O-CD2 3.43Å; G90-Y94 PolarHBondContact O-N 3.02Å
91	H	52.3	Low	50.2	Low	54 Å²	54	59.9 Å²	59.9	25%	0.25	30%	0.295	C	S	.	.	H	α-helix	trans	-67.5	-39.5	178.4	-78.8	101.5	0	0	0	113.9	V87 Y88 C89 W93 Y94 G95 V126	V87-H91 WeakPolarHBondContact CG1-CE1 3.35Å; V87-H91 VanDerWaalsContact CG1-ND1 3.27Å; V87-H91 WeakPolarHBondContact CG1-ND1 3.12Å; V87-H91 WeakPolarHBondContact O-CB 3.47Å; V87-H91 PolarHBondContact O-N 2.02Å; V87-H91 PolarHBondContact O-ND1 2.93Å; Y88-H91 PolarHBondContact O-N 3.39Å; Y88-H91 VanDerWaalsContact O-N 3.16Å; C89-H91 PolarHBondContact O-N 2.87Å; H91-W93 VanDerWaalsContact C-N 3.28Å; H91-W93 PolarHBondContact O-N 3.45Å; H91-Y94 PolarHBondContact O-N 3.41Å; H91-G95 PolarHBondContact O-N 2.88Å; H91-V126 HydrophobicContact CB-CG2 3.81Å; H91-V126 WeakPolarHBondContact CD2-CG2 3.02Å; H91-V126 VanDerWaalsContact CG-CG2 3.5Å
92	V	52.5	Low	51	Low	21 Å²	21	55 Å²	55	13%	0.127	25%	0.254	C	S	.	.	H	α-helix	trans	-59.9	-44.5	173.7	174.5	0	0	0	0	109.4	W38 Y88 C89 G95 A96 I116	W38-V92 HydrophobicContact CZ2-CG1 3.98Å; W38-V92 HydrophobicContact CZ2-CG2 4.44Å; Y88-V92 WeakPolarHBondContact O-CG2 3.3Å; Y88-V92 PolarHBondContact O-N 2.94Å; C89-V92 PolarHBondContact O-N 2.83Å; V92-G95 PolarHBondContact O-N 2.81Å; V92-A96 PolarHBondContact O-N 3.47Å; V92-I116 HydrophobicContact CG2-CD1 3.55Å
93	W	53.2	Low	51	Low	53 Å²	53	52.2 Å²	52.2	20%	0.201	24%	0.242	C	C	.	.	H	α-helix	trans	-62.2	-49.1	176	-81.2	113.3	0	0	0	112.7	S69 A73 C89 G90 H91 G95 A96 R97	S69-W93 VanDerWaalsContact CB-CZ3 3.5Å; A73-W93 HydrophobicContact CB-CD2 4.43Å; A73-W93 HydrophobicContact CB-CG 4.25Å; C89-W93 WeakPolarHBondContact O-CB 3.25Å; C89-W93 PolarHBondContact O-N 3.25Å; G90-W93 WeakPolarHBondContact O-CB 3.42Å; G90-W93 PolarHBondContact O-N 3.29Å; H91-W93 VanDerWaalsContact C-N 3.28Å; H91-W93 PolarHBondContact O-N 3.45Å; W93-G95 PolarHBondContact O-N 2.71Å; W93-A96 PolarHBondContact O-N 3.46Å; W93-R97 WeakPolarHBondContact O-CB 3.41Å; W93-R97 PolarHBondContact O-N 3.5Å
94	Y	53.2	Low	51.1	Low	159 Å²	159	45.9 Å²	45.9	62%	0.624	23%	0.23	S	C	*	.	H	α-helix	trans	-59.6	-35.3	174.6	-89.6	-72.7	0	0	0	111.9	G90 H91 S98	G90-Y94 WeakPolarHBondContact O-CD2 3.43Å; G90-Y94 PolarHBondContact O-N 3.02Å; H91-Y94 PolarHBondContact O-N 3.41Å; Y94-S98 WeakPolarHBondContact O-CB 3.34Å; Y94-S98 PolarHBondContact O-N 2.74Å; Y94-S98 PolarHBondContact O-OG 3.06Å
95	G	52.8	Low	51.6	Low	1 Å²	1	43.8 Å²	43.8	1%	0.01	23%	0.225	C	C	.	.	H	α-helix	trans	-67.7	-49.7	178.1	0	0	0	0	0	113.7	H91 V92 W93 R97 S98 F99 L128	H91-G95 PolarHBondContact O-N 2.88Å; V92-G95 PolarHBondContact O-N 2.81Å; W93-G95 PolarHBondContact O-N 2.71Å; G95-R97 VanDerWaalsContact C-N 3.34Å; G95-R97 PolarHBondContact O-N 3.28Å; G95-S98 PolarHBondContact O-N 3.4Å; G95-F99 WeakPolarHBondContact O-CB 3.32Å; G95-F99 PolarHBondContact O-N 3.42Å; G95-L128 VanDerWaalsContact CA-CD1 3.5Å
96	A	53.8	Low	51.9	Low	13 Å²	13	44.6 Å²	44.6	11%	0.107	23%	0.234	C	C	.	.	H	α-helix	trans	-57.7	-47.5	172.9	0	0	0	0	0	110.8	F41 V92 W93 S98 F99 L100	F41-A96 HydrophobicContact CD2-CB 3.79Å; F41-A96 HydrophobicContact CE2-CB 4.01Å; V92-A96 PolarHBondContact O-N 3.47Å; W93-A96 PolarHBondContact O-N 3.46Å; A96-S98 PolarHBondContact O-N 3.15Å; A96-F99 PolarHBondContact O-N 3.13Å; A96-L100 HydrophobicContact CB-CD1 4.42Å; A96-L100 WeakPolarHBondContact O-CB 3.41Å; A96-L100 WeakPolarHBondContact O-CD1 3.43Å; A96-L100 VanDerWaalsContact O-CG 3.31Å; A96-L100 WeakPolarHBondContact O-CG 3.24Å; A96-L100 PolarHBondContact O-N 3.1Å
97	R	54.8	Low	52	Low	128 Å²	128	45.7 Å²	45.7	48%	0.483	25%	0.254	S	S	.	.	H	α-helix	trans	-61.3	-41.6	178.6	-173.7	175.9	175	-170	-3	112.9	W93 G95 L100 C101 C147	W93-R97 WeakPolarHBondContact O-CB 3.41Å; W93-R97 PolarHBondContact O-N 3.5Å; G95-R97 VanDerWaalsContact C-N 3.34Å; G95-R97 PolarHBondContact O-N 3.28Å; R97-L100 PolarHBondContact O-N 3.32Å; R97-C101 WeakPolarHBondContact O-CB 3.42Å; R97-C101 PolarHBondContact O-N 3.3Å; R97-C147 PolarHBondContact NH2-O 2.81Å; R97-C147 PolarHBondContact NH2-OXT 2.86Å
98	S	52.7	Low	52	Low	37 Å²	37	45.3 Å²	45.3	26%	0.259	25%	0.249	S	C	.	.	H	α-helix	trans	-68.4	-41.1	178.8	-57.4	0	0	0	0	111.7	Y94 G95 A96 L100 C101 D102	Y94-S98 WeakPolarHBondContact O-CB 3.34Å; Y94-S98 PolarHBondContact O-N 2.74Å; Y94-S98 PolarHBondContact O-OG 3.06Å; G95-S98 PolarHBondContact O-N 3.4Å; A96-S98 PolarHBondContact O-N 3.15Å; S98-L100 VanDerWaalsContact C-N 3.28Å; S98-L100 PolarHBondContact O-N 2.98Å; S98-C101 PolarHBondContact O-N 2.85Å; S98-D102 PolarHBondContact O-N 2.89Å
99	F	54.1	Low	51.8	Low	13 Å²	13	43.2 Å²	43.2	6%	0.057	24%	0.242	C	C	.	.	H	α-helix	trans	-60.9	-41	175.5	-177.2	-101.4	0	0	0	111.3	F41 L45 G95 A96 D102 A103 L108 P109 P112	F41-F99 HydrophobicContact CE2-CD1 4.24Å; F41-F99 HydrophobicContact CZ-CD1 4.38Å; L45-F99 HydrophobicContact CD2-CE1 4.2Å; G95-F99 WeakPolarHBondContact O-CB 3.32Å; G95-F99 PolarHBondContact O-N 3.42Å; A96-F99 PolarHBondContact O-N 3.13Å; F99-D102 PolarHBondContact O-N 3.45Å; F99-A103 WeakPolarHBondContact O-CB 3.35Å; F99-A103 PolarHBondContact O-N 3.02Å; F99-L108 HydrophobicContact CD1-CD2 4.21Å; F99-L108 HydrophobicContact CE1-CD2 3.19Å; F99-L108 HydrophobicContact CE2-CD2 4.42Å; F99-L108 HydrophobicContact CZ-CD2 3.29Å; F99-P109 HydrophobicContact CE2-CG 3.9Å; F99-P109 HydrophobicContact CZ-CG 4.22Å; F99-P112 HydrophobicContact CD1-CB 4.14Å; F99-P112 HydrophobicContact CD2-CB 4Å; F99-P112 HydrophobicContact CE1-CB 3.53Å; F99-P112 HydrophobicContact CE1-CG 3.6Å; F99-P112 VanDerWaalsContact CE2-CA 3.5Å; F99-P112 HydrophobicContact CE2-CB 3.4Å; F99-P112 HydrophobicContact CE2-CG 4.04Å; F99-P112 HydrophobicContact CG-CB 4.37Å; F99-P112 HydrophobicContact CZ-CB 3.16Å; F99-P112 HydrophobicContact CZ-CG 3.3Å
100	L	51.9	Low	51.2	Low	20 Å²	20	47.3 Å²	47.3	11%	0.105	27%	0.269	C	S	.	.	H	α-helix	trans	-79.4	-25.6	-178	-70.6	151.2	0	0	0	112.9	F41 F62 A96 R97 S98 A103 S104	F41-L100 HydrophobicContact CD2-CD1 4.28Å; F41-L100 HydrophobicContact CE2-CD1 4.32Å; F62-L100 HydrophobicContact CD1-CB 4.04Å; F62-L100 HydrophobicContact CD1-CD1 4.42Å; F62-L100 HydrophobicContact CD2-CD1 3.43Å; F62-L100 VanDerWaalsContact CD2-CD1 3.43Å; F62-L100 HydrophobicContact CD2-CD2 4.39Å; F62-L100 HydrophobicContact CD2-CG 4.29Å; F62-L100 HydrophobicContact CE1-CB 3.44Å; F62-L100 VanDerWaalsContact CE1-CB 3.44Å; F62-L100 HydrophobicContact CE1-CD1 4.02Å; F62-L100 HydrophobicContact CE1-CG 4.18Å; F62-L100 HydrophobicContact CE2-CB 4.11Å; F62-L100 HydrophobicContact CE2-CD1 2.96Å; F62-L100 HydrophobicContact CE2-CG 3.98Å; F62-L100 HydrophobicContact CG-CD1 4.16Å; F62-L100 HydrophobicContact CG-CD2 4.42Å; F62-L100 HydrophobicContact CZ-CB 3.48Å; F62-L100 VanDerWaalsContact CZ-CB 3.48Å; F62-L100 HydrophobicContact CZ-CD1 3.28Å; F62-L100 HydrophobicContact CZ-CG 3.88Å; A96-L100 HydrophobicContact CB-CD1 4.42Å; A96-L100 WeakPolarHBondContact O-CB 3.41Å; A96-L100 WeakPolarHBondContact O-CD1 3.43Å; A96-L100 VanDerWaalsContact O-CG 3.31Å; A96-L100 WeakPolarHBondContact O-CG 3.24Å; A96-L100 PolarHBondContact O-N 3.1Å; R97-L100 PolarHBondContact O-N 3.32Å; S98-L100 VanDerWaalsContact C-N 3.28Å; S98-L100 PolarHBondContact O-N 2.98Å; L100-A103 HydrophobicContact CD2-CB 4.49Å; L100-A103 WeakPolarHBondContact O-CB 3.46Å; L100-A103 PolarHBondContact O-N 2.85Å; L100-S104 PolarHBondContact O-N 2.73Å
101	C	53.4	Low	50.9	Low	12 Å²	12	48.9 Å²	48.9	8%	0.081	27%	0.269	C	S	.	.	H	α-helix	trans	-63.6	-47.5	164	175.6	0	0	0	0	111.3	R97 S98 A103 S104 C105 C143 C147	R97-C101 WeakPolarHBondContact O-CB 3.42Å; R97-C101 PolarHBondContact O-N 3.3Å; S98-C101 PolarHBondContact O-N 2.85Å; C101-A103 VanDerWaalsContact C-N 3.27Å; C101-A103 PolarHBondContact O-N 3.36Å; C101-S104 WeakPolarHBondContact O-CB 2.89Å; C101-S104 PolarHBondContact O-N 2.71Å; C101-S104 VanDerWaalsContact O-N 3.08Å; C101-S104 PolarHBondContact O-OG 3.15Å; C101-C105 PolarHBondContact O-SG 2.89Å; C101-C105 VanDerWaalsContact O-SG 3.36Å; C101-C143 PolarHBondContact O-SG 3.45Å; C101-C147 WeakPolarHBondContact CA-SG 3.26Å; C101-C147 HydrophobicContact CB-CB 3.42Å; C101-C147 VanDerWaalsContact CB-CB 3.42Å; C101-C147 WeakPolarHBondContact CB-SG 2.84Å; C101-C147 WeakPolarHBondContact SG-CB 3.28Å; C101-C147 CovalentContact SG-SG 2.02Å; C101-C147 PolarHBondContact SG-SG 3.32Å
102	D	52.8	Low	50.4	Low	4 Å²	4	48.1 Å²	48.1	2%	0.021	27%	0.268	C	S	.	.	H	α-helix	trans	-61.5	-39.8	177.1	-73.9	-11.2	0	0	0	109.9	S98 F99 S104 C105 S130 Q132 W134 R144	S98-D102 PolarHBondContact O-N 2.89Å; F99-D102 PolarHBondContact O-N 3.45Å; D102-S104 VanDerWaalsContact C-N 3.33Å; D102-S104 PolarHBondContact O-N 2.57Å; D102-C105 PolarHBondContact O-N 3.13Å; D102-S130 WeakPolarHBondContact OD2-CB 3.44Å; D102-S130 PolarHBondContact OD2-OG 3.44Å; D102-Q132 PolarHBondContact O-NE2 2.64Å; D102-Q132 VanDerWaalsContact O-NE2 3.11Å; D102-Q132 PolarHBondContact O-OE1 3.41Å; D102-W134 HydrophobicContact CB-CZ2 4.17Å; D102-R144 IonicContact OD1-NE 3.91Å
103	A	52.2	Low	49.9	Very low	19 Å²	19	51.9 Å²	51.9	16%	0.157	28%	0.283	C	S	.	.	H	α-helix	trans	-60.1	-33.6	171.4	0	0	0	0	0	114.7	F99 L100 C101 C105 G106 L108	F99-A103 WeakPolarHBondContact O-CB 3.35Å; F99-A103 PolarHBondContact O-N 3.02Å; L100-A103 HydrophobicContact CD2-CB 4.49Å; L100-A103 WeakPolarHBondContact O-CB 3.46Å; L100-A103 PolarHBondContact O-N 2.85Å; C101-A103 VanDerWaalsContact C-N 3.27Å; C101-A103 PolarHBondContact O-N 3.36Å; A103-C105 PolarHBondContact O-N 3.44Å; A103-G106 CarbonylContact C-O 3.57Å; A103-L108 HydrophobicContact CB-CD1 4.17Å; A103-L108 HydrophobicContact CB-CD2 3.25Å; A103-L108 HydrophobicContact CB-CG 3.52Å
104	S	51.5	Low	49.3	Very low	77 Å²	77	51.5 Å²	51.5	54%	0.538	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-12	179.5	74.4	0	0	0	0	113.5	L100 C101 D102	L100-S104 PolarHBondContact O-N 2.73Å; C101-S104 WeakPolarHBondContact O-CB 2.89Å; C101-S104 PolarHBondContact O-N 2.71Å; C101-S104 VanDerWaalsContact O-N 3.08Å; C101-S104 PolarHBondContact O-OG 3.15Å; D102-S104 VanDerWaalsContact C-N 3.33Å; D102-S104 PolarHBondContact O-N 2.57Å
105	C	54.5	Low	48.4	Very low	47 Å²	47	50 Å²	50	32%	0.318	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.6	3.1	-171.3	-66.5	0	0	0	0	114.7	C101 D102 A103 W134 C143	C101-C105 PolarHBondContact O-SG 2.89Å; C101-C105 VanDerWaalsContact O-SG 3.36Å; D102-C105 PolarHBondContact O-N 3.13Å; A103-C105 PolarHBondContact O-N 3.44Å; C105-W134 HydrophobicContact CB-CH2 3.62Å; C105-W134 HydrophobicContact CB-CZ3 4.05Å; C105-C143 HydrophobicContact CB-CB 3.48Å; C105-C143 VanDerWaalsContact CB-CB 3.48Å; C105-C143 WeakPolarHBondContact CB-SG 3.38Å; C105-C143 WeakPolarHBondContact SG-CA 3.28Å; C105-C143 WeakPolarHBondContact SG-CB 3.45Å; C105-C143 CovalentContact SG-SG 1.97Å; C105-C143 PolarHBondContact SG-SG 2.98Å
106	G	52.6	Low	47.7	Very low	27 Å²	27	52.6 Å²	52.6	28%	0.278	30%	0.295	S	S	.	.	S	Bend	trans	166.5	173.2	-179.4	0	0	0	0	0	109.1	A103 L108 Q132	A103-G106 CarbonylContact C-O 3.57Å; G106-L108 PolarHBondContact O-N 3.25Å; G106-Q132 VanDerWaalsContact C-NE2 3.33Å; G106-Q132 PolarHBondContact O-NE2 2.78Å
107	P	47.7	Very low	46.7	Very low	117 Å²	117	54.3 Å²	54.3	76%	0.76	31%	0.314	S	S	*	.	P	Polyproline II helix	trans	-53.8	134.2	179.7	22.8	-32.4	0	0	0	109.6	Q132	P107-Q132 PolarHBondContact O-NE2 3.26Å
108	L	47.4	Very low	45.7	Very low	59 Å²	59	57.8 Å²	57.8	31%	0.309	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-51.4	133.9	171.7	-84.1	149.7	0	0	0	108	A48 F99 A103 G106	A48-L108 HydrophobicContact CB-CD1 4.01Å; F99-L108 HydrophobicContact CD1-CD2 4.21Å; F99-L108 HydrophobicContact CE1-CD2 3.19Å; F99-L108 HydrophobicContact CE2-CD2 4.42Å; F99-L108 HydrophobicContact CZ-CD2 3.29Å; A103-L108 HydrophobicContact CB-CD1 4.17Å; A103-L108 HydrophobicContact CB-CD2 3.25Å; A103-L108 HydrophobicContact CB-CG 3.52Å; G106-L108 PolarHBondContact O-N 3.25Å
109	P	43.6	Very low	45	Very low	12 Å²	12	57.8 Å²	57.8	8%	0.078	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-57.6	139.5	164.8	26.4	-31	0	0	0	107.2	F99 F111 Q132	F99-P109 HydrophobicContact CE2-CG 3.9Å; F99-P109 HydrophobicContact CZ-CG 4.22Å; P109-F111 PolarHBondContact O-N 2.86Å; P109-Q132 HydrophobicContact CG-CB 4.24Å
110	P	37.7	Very low	44	Very low	96 Å²	96	60.6 Å²	60.6	62%	0.623	35%	0.347	S	S	*	.	S	Bend	trans	-55.5	-21	-178	20.1	-31.7	0	0	0	112.1
111	F	43.8	Very low	43.5	Very low	58 Å²	58	65.5 Å²	65.5	25%	0.254	38%	0.38	S	S	.	.			trans	-126.6	98.6	179.1	-50.2	-68	0	0	0	112.4	Y11 P109 F113	Y11-F111 HydrophobicContact CD2-CD1 4.2Å; Y11-F111 AromaticContact CD2-CE1 3.82Å; Y11-F111 HydrophobicContact CD2-CE1 3.82Å; Y11-F111 AromaticContact CE2-CD1 3.72Å; Y11-F111 HydrophobicContact CE2-CD1 3.72Å; Y11-F111 AromaticContact CE2-CE1 3.37Å; Y11-F111 HydrophobicContact CE2-CE1 3.37Å; Y11-F111 HydrophobicContact CE2-CZ 4.4Å; P109-F111 PolarHBondContact O-N 2.86Å; F111-F113 HydrophobicContact CB-CD2 4.01Å; F111-F113 HydrophobicContact CB-CE2 3.35Å; F111-F113 HydrophobicContact CB-CZ 3.7Å; F111-F113 HydrophobicContact CG-CE2 4.23Å; F111-F113 HydrophobicContact CG-CZ 4.28Å; F111-F113 PolarHBondContact O-N 2.83Å
112	P	42.8	Very low	42.6	Very low	37 Å²	37	75.7 Å²	75.7	24%	0.24	42%	0.417	C	S	.	.			trans	-63.4	113.3	157.7	-4.6	12.2	0	0	0	110.5	L45 F99	L45-P112 HydrophobicContact CD1-CG 4.16Å; L45-P112 HydrophobicContact CD2-CB 4.4Å; L45-P112 HydrophobicContact CD2-CG 3.41Å; L45-P112 VanDerWaalsContact CD2-CG 3.41Å; L45-P112 HydrophobicContact CG-CG 4.45Å; F99-P112 HydrophobicContact CD1-CB 4.14Å; F99-P112 HydrophobicContact CD2-CB 4Å; F99-P112 HydrophobicContact CE1-CB 3.53Å; F99-P112 HydrophobicContact CE1-CG 3.6Å; F99-P112 VanDerWaalsContact CE2-CA 3.5Å; F99-P112 HydrophobicContact CE2-CB 3.4Å; F99-P112 HydrophobicContact CE2-CG 4.04Å; F99-P112 HydrophobicContact CG-CB 4.37Å; F99-P112 HydrophobicContact CZ-CB 3.16Å; F99-P112 HydrophobicContact CZ-CG 3.3Å
113	F	40.7	Very low	41.6	Very low	101 Å²	101	80.6 Å²	80.6	44%	0.443	44%	0.443	S	S	.	.	B	Isolated β-bridge	trans	-106.4	106.7	166.2	-65	-73.9	0	0	0	110.6	F111 F115	F111-F113 HydrophobicContact CB-CD2 4.01Å; F111-F113 HydrophobicContact CB-CE2 3.35Å; F111-F113 HydrophobicContact CB-CZ 3.7Å; F111-F113 HydrophobicContact CG-CE2 4.23Å; F111-F113 HydrophobicContact CG-CZ 4.28Å; F111-F113 PolarHBondContact O-N 2.83Å; F113-F115 HydrophobicContact CB-CD2 3.97Å; F113-F115 HydrophobicContact CB-CE2 3.55Å; F113-F115 HydrophobicContact CB-CZ 4.26Å; F113-F115 HydrophobicContact CG-CE2 4.23Å; F113-F115 PolarHBondContact O-N 1.97Å
114	L	40.8	Very low	40.6	Very low	44 Å²	44	85.1 Å²	85.1	23%	0.23	47%	0.473	C	S	.	.			trans	-88.1	91.1	170.3	-160.3	103	0	0	0	109.5	W38 I116 L128	W38-L114 HydrophobicContact CH2-CD2 4.16Å; W38-L114 HydrophobicContact CZ2-CD2 4.49Å; L114-I116 HydrophobicContact CD2-CD1 3.71Å; L114-I116 HydrophobicContact CD2-CG1 3.72Å; L114-I116 HydrophobicContact CG-CG1 4.45Å; L114-I116 PolarHBondContact O-N 3.36Å; L114-L128 HydrophobicContact CD1-CD2 3.7Å; L114-L128 HydrophobicContact CG-CD2 4.48Å
115	F	34.1	Very low	39.6	Very low	128 Å²	128	85.5 Å²	85.5	56%	0.561	48%	0.476	S	S	*	.			trans	-77.9	99.7	172.8	-72.3	-79.9	0	0	0	110.6	F113 G117	F113-F115 HydrophobicContact CB-CD2 3.97Å; F113-F115 HydrophobicContact CB-CE2 3.55Å; F113-F115 HydrophobicContact CB-CZ 4.26Å; F113-F115 HydrophobicContact CG-CE2 4.23Å; F113-F115 PolarHBondContact O-N 1.97Å; F115-G117 PolarHBondContact O-N 3.48Å
116	I	37.9	Very low	38.8	Very low	55 Å²	55	85.5 Å²	85.5	28%	0.282	47%	0.474	S	S	.	.			trans	-88.6	93.7	163.1	-54.1	171.5	0	0	0	106.6	W38 Y88 V92 L114	W38-I116 HydrophobicContact CZ2-CD1 4.37Å; Y88-I116 HydrophobicContact CD1-CG2 4.05Å; Y88-I116 HydrophobicContact CE1-CG2 3.89Å; V92-I116 HydrophobicContact CG2-CD1 3.55Å; L114-I116 HydrophobicContact CD2-CD1 3.71Å; L114-I116 HydrophobicContact CD2-CG1 3.72Å; L114-I116 HydrophobicContact CG-CG1 4.45Å; L114-I116 PolarHBondContact O-N 3.36Å
117	G	33.2	Very low	37.8	Very low	49 Å²	49	87.2 Å²	87.2	51%	0.505	49%	0.486	S	S	.	.			trans	-55	146.9	164.9	0	0	0	0	0	109.7	F115 P119	F115-G117 PolarHBondContact O-N 3.48Å; G117-P119 VanDerWaalsContact O-N 3.14Å
118	K	34	Very low	37.4	Very low	201 Å²	201	84 Å²	84	87%	0.874	46%	0.462	S	S	*	.			trans	-49.1	127.9	164.6	-89.9	-177.7	177.4	173.2	0	106.8	D120	K118-D120 VanDerWaalsContact C-N 3.3Å; K118-D120 PolarHBondContact O-N 3.01Å
119	P	37.4	Very low	37.1	Very low	38 Å²	38	85.1 Å²	85.1	25%	0.247	47%	0.471	C	S	.	.			trans	-62.9	105.9	171.2	29.8	-34.2	0	0	0	104.2	Q84 Y88 G117 P121	Q84-P119 HydrophobicContact CG-CG 4.45Å; Q84-P119 VanDerWaalsContact NE2-CG 3.35Å; Y88-P119 HydrophobicContact CE1-CG 3.77Å; Y88-P119 HydrophobicContact CE2-CG 3.66Å; Y88-P119 WeakPolarHBondContact OH-CD 3.23Å; Y88-P119 WeakPolarHBondContact OH-CG 3.4Å; G117-P119 VanDerWaalsContact O-N 3.14Å; P119-P121 VanDerWaalsContact O-CD 3.28Å; P119-P121 WeakPolarHBondContact O-CD 3.49Å
120	D	34.5	Very low	37.1	Very low	71 Å²	71	85.4 Å²	85.4	38%	0.38	47%	0.473	S	S	.	.	B	Isolated β-bridge	trans	-63	120.2	150.6	-167.3	-33.1	0	0	0	104.6	K118 R122 L123	K118-D120 VanDerWaalsContact C-N 3.3Å; K118-D120 PolarHBondContact O-N 3.01Å; D120-R122 PolarHBondContact O-N 3.23Å; D120-R122 VanDerWaalsContact OD1-CB 3.3Å; D120-R122 WeakPolarHBondContact OD1-CB 3.3Å; D120-R122 PolarHBondContact OD1-N 3.11Å; D120-L123 HydrophobicContact CB-CB 3.99Å; D120-L123 HydrophobicContact CB-CD1 4.07Å; D120-L123 CarbonylContact O-C 3.4Å; D120-L123 PolarHBondContact O-N 3.26Å
121	P	40.4	Very low	37.5	Very low	123 Å²	123	83.2 Å²	83.2	80%	0.799	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-11	175.5	23.2	-32.6	0	0	0	112.6	P119	P119-P121 VanDerWaalsContact O-CD 3.28Å; P119-P121 WeakPolarHBondContact O-CD 3.49Å
122	R	34.8	Very low	37.7	Very low	227 Å²	227	81.5 Å²	81.5	86%	0.857	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	-16.7	174.3	-56.6	179.8	174.6	-177	-1.5	114.4	D120	D120-R122 PolarHBondContact O-N 3.23Å; D120-R122 VanDerWaalsContact OD1-CB 3.3Å; D120-R122 WeakPolarHBondContact OD1-CB 3.3Å; D120-R122 PolarHBondContact OD1-N 3.11Å
123	L	32	Very low	38.2	Very low	107 Å²	107	89.5 Å²	89.5	56%	0.56	49%	0.492	S	S	*	.	B	Isolated β-bridge	trans	-123.7	93.1	178.4	-68.6	138.8	0	0	0	109.4	D120 S125	D120-L123 HydrophobicContact CB-CB 3.99Å; D120-L123 HydrophobicContact CB-CD1 4.07Å; D120-L123 CarbonylContact O-C 3.4Å; D120-L123 PolarHBondContact O-N 3.26Å; L123-S125 PolarHBondContact O-N 3.28Å
124	S	31.7	Very low	39.1	Very low	113 Å²	113	87.2 Å²	87.2	79%	0.79	48%	0.48	S	S	*	.			trans	-77.5	54.5	171.3	53.7	0	0	0	0	111.4
125	S	30.7	Very low	40.1	Very low	86 Å²	86	94.2 Å²	94.2	60%	0.601	51%	0.512	S	S	*	.			trans	-118.1	109.2	178.1	59.6	0	0	0	0	110.3	L123	L123-S125 PolarHBondContact O-N 3.28Å
126	V	36.1	Very low	41.7	Very low	46 Å²	46	89.7 Å²	89.7	28%	0.279	50%	0.496	S	S	.	.			trans	-94.4	113.5	163.2	172.9	0	0	0	0	107.1	H91 L128	H91-V126 HydrophobicContact CB-CG2 3.81Å; H91-V126 WeakPolarHBondContact CD2-CG2 3.02Å; H91-V126 VanDerWaalsContact CG-CG2 3.5Å; V126-L128 HydrophobicContact CG1-CG 4.32Å
127	A	32.6	Very low	43.1	Very low	64 Å²	64	92.6 Å²	92.6	53%	0.529	52%	0.519	S	S	.	.			trans	-87	110.3	174.4	0	0	0	0	0	108.5
128	L	39.4	Very low	44.8	Very low	49 Å²	49	93.3 Å²	93.3	26%	0.257	52%	0.519	S	S	.	.			trans	-88.5	107.8	170.5	-74.7	150.6	0	0	0	108.4	G95 L114 V126	G95-L128 VanDerWaalsContact CA-CD1 3.5Å; L114-L128 HydrophobicContact CD1-CD2 3.7Å; L114-L128 HydrophobicContact CG-CD2 4.48Å; V126-L128 HydrophobicContact CG1-CG 4.32Å
129	V	41.1	Very low	46.1	Very low	82 Å²	82	86.5 Å²	86.5	50%	0.497	49%	0.492	S	S	.	.	B	Isolated β-bridge	trans	-97.3	95.9	175.5	-173.3	0	0	0	0	107	G131	V129-G131 PolarHBondContact O-N 3.2Å
130	S	43.8	Very low	47.2	Very low	19 Å²	19	89 Å²	89	13%	0.133	50%	0.497	C	S	.	.			trans	-74.2	122.5	162.7	173.8	0	0	0	0	107.7	D102 Q132	D102-S130 WeakPolarHBondContact OD2-CB 3.44Å; D102-S130 PolarHBondContact OD2-OG 3.44Å; S130-Q132 PolarHBondContact O-N 3.08Å; S130-Q132 VanDerWaalsContact OG-CB 3.29Å; S130-Q132 WeakPolarHBondContact OG-CB 3.44Å; S130-Q132 PolarHBondContact OG-N 2.96Å
131	G	45.3	Very low	48.6	Very low	49 Å²	49	90.7 Å²	90.7	51%	0.505	50%	0.502	S	S	.	.			trans	-71.1	3.8	173.5	0	0	0	0	0	113.5	V129 K133	V129-G131 PolarHBondContact O-N 3.2Å; G131-K133 PolarHBondContact O-N 3.37Å
132	Q	49.2	Very low	49.7	Very low	23 Å²	23	92.4 Å²	92.4	11%	0.107	49%	0.493	C	S	.	.			trans	-69.4	122.4	-178.2	-159.4	175.1	25.8	0	0	110.2	D102 G106 P107 P109 S130 W134	D102-Q132 PolarHBondContact O-NE2 2.64Å; D102-Q132 VanDerWaalsContact O-NE2 3.11Å; D102-Q132 PolarHBondContact O-OE1 3.41Å; G106-Q132 VanDerWaalsContact C-NE2 3.33Å; G106-Q132 PolarHBondContact O-NE2 2.78Å; P107-Q132 PolarHBondContact O-NE2 3.26Å; P109-Q132 HydrophobicContact CG-CB 4.24Å; S130-Q132 PolarHBondContact O-N 3.08Å; S130-Q132 VanDerWaalsContact OG-CB 3.29Å; S130-Q132 WeakPolarHBondContact OG-CB 3.44Å; S130-Q132 PolarHBondContact OG-N 2.96Å; Q132-W134 PolarHBondContact O-N 3.32Å
133	K	52.6	Low	50.8	Low	205 Å²	205	81.9 Å²	81.9	89%	0.891	45%	0.454	S	S	*	.			trans	-77.3	108.4	173.4	-169.7	178.8	-179.5	-176.3	0	108.2	G131	G131-K133 PolarHBondContact O-N 3.37Å
134	W	58.9	Low	52.1	Low	52 Å²	52	82.2 Å²	82.2	20%	0.197	45%	0.448	C	S	.	.			trans	-83.9	132.8	174.4	-64.1	86.5	0	0	0	109.9	D102 C105 Q132 S136 D139 R140 C143	D102-W134 HydrophobicContact CB-CZ2 4.17Å; C105-W134 HydrophobicContact CB-CH2 3.62Å; C105-W134 HydrophobicContact CB-CZ3 4.05Å; Q132-W134 PolarHBondContact O-N 3.32Å; W134-S136 VanDerWaalsContact C-N 3.26Å; W134-S136 PolarHBondContact O-N 3.5Å; W134-D139 HydrophobicContact CE3-CB 4.25Å; W134-R140 HydrophobicContact CB-CB 4.33Å; W134-R140 HydrophobicContact CD2-CB 3.49Å; W134-R140 VanDerWaalsContact CD2-CB 3.49Å; W134-R140 HydrophobicContact CD2-CG 3.84Å; W134-R140 HydrophobicContact CE3-CB 3.79Å; W134-R140 HydrophobicContact CE3-CG 4.45Å; W134-R140 VanDerWaalsContact CE3-N 3.33Å; W134-R140 HydrophobicContact CG-CB 3.74Å; W134-R140 HydrophobicContact CG-CG 4.11Å; W134-R140 HydrophobicContact CZ2-CB 4.4Å; W134-R140 HydrophobicContact CZ2-CG 4.04Å; W134-R140 HydrophobicContact CZ3-CB 4.36Å; W134-C143 HydrophobicContact CH2-CB 3.54Å; W134-C143 VanDerWaalsContact CH2-SG 3.53Å; W134-C143 HydrophobicContact CZ3-CB 3.77Å
135	E	62.5	Low	53.4	Low	191 Å²	191	86.5 Å²	86.5	89%	0.893	45%	0.447	S	S	*	.	S	Bend	trans	-61.9	-37	174.1	-66.4	-171.8	157.6	0	0	111.5
136	S	67.4	Low	54.5	Low	33 Å²	33	92.3 Å²	92.3	23%	0.231	46%	0.456	C	S	.	.			trans	-143.8	152.7	172.7	83.9	0	0	0	0	113.1	W134 A138 D139 R140	W134-S136 VanDerWaalsContact C-N 3.26Å; W134-S136 PolarHBondContact O-N 3.5Å; S136-A138 PolarHBondContact O-N 2.88Å; S136-A138 PolarHBondContact OG-N 3.36Å; S136-D139 WeakPolarHBondContact CB-OD2 3.47Å; S136-D139 PolarHBondContact O-N 3.5Å; S136-D139 PolarHBondContact OG-N 2.81Å; S136-D139 VanDerWaalsContact OG-N 3.13Å; S136-D139 PolarHBondContact OG-OD2 2.69Å; S136-R140 PolarHBondContact O-N 3.39Å
137	P	67.3	Low	55	Low	117 Å²	117	93.7 Å²	93.7	76%	0.76	47%	0.466	S	S	*	.	H	α-helix	trans	-58.4	-26.9	170	-23.6	33.6	0	0	0	113.4	H141	P137-H141 WeakPolarHBondContact O-CB 3.43Å; P137-H141 PolarHBondContact O-N 2.9Å
138	A	69.2	Low	56.2	Low	63 Å²	63	95.2 Å²	95.2	52%	0.521	46%	0.463	S	S	.	.	H	α-helix	trans	-69.8	-37.1	178.5	0	0	0	0	0	111.7	S136 H141 R142	S136-A138 PolarHBondContact O-N 2.88Å; S136-A138 PolarHBondContact OG-N 3.36Å; A138-H141 PolarHBondContact O-N 3.13Å; A138-R142 WeakPolarHBondContact O-CB 3.3Å; A138-R142 PolarHBondContact O-N 2.87Å
139	D	61.6	Low	57	Low	58 Å²	58	97.6 Å²	97.6	31%	0.31	47%	0.474	S	S	.	.	H	α-helix	trans	-69.3	-41.1	177.4	-60.7	-44.6	0	0	0	111.2	W134 S136 H141 R142 C143	W134-D139 HydrophobicContact CE3-CB 4.25Å; S136-D139 WeakPolarHBondContact CB-OD2 3.47Å; S136-D139 PolarHBondContact O-N 3.5Å; S136-D139 PolarHBondContact OG-N 2.81Å; S136-D139 VanDerWaalsContact OG-N 3.13Å; S136-D139 PolarHBondContact OG-OD2 2.69Å; D139-H141 VanDerWaalsContact C-N 3.32Å; D139-H141 PolarHBondContact O-N 2.99Å; D139-R142 PolarHBondContact O-N 2.99Å; D139-C143 WeakPolarHBondContact O-CB 3.28Å; D139-C143 PolarHBondContact O-N 3.42Å
140	R	60.5	Low	57.9	Low	91 Å²	91	98.4 Å²	98.4	34%	0.343	47%	0.473	S	S	.	.	H	α-helix	trans	-57	-46	170.8	-172.5	177.2	-177	-168.9	3.7	111.9	W134 S136 R144	W134-R140 HydrophobicContact CB-CB 4.33Å; W134-R140 HydrophobicContact CD2-CB 3.49Å; W134-R140 VanDerWaalsContact CD2-CB 3.49Å; W134-R140 HydrophobicContact CD2-CG 3.84Å; W134-R140 HydrophobicContact CE3-CB 3.79Å; W134-R140 HydrophobicContact CE3-CG 4.45Å; W134-R140 VanDerWaalsContact CE3-N 3.33Å; W134-R140 HydrophobicContact CG-CB 3.74Å; W134-R140 HydrophobicContact CG-CG 4.11Å; W134-R140 HydrophobicContact CZ2-CB 4.4Å; W134-R140 HydrophobicContact CZ2-CG 4.04Å; W134-R140 HydrophobicContact CZ3-CB 4.36Å; S136-R140 PolarHBondContact O-N 3.39Å; R140-R144 VanDerWaalsContact NH2-NH2 3.11Å; R140-R144 WeakPolarHBondContact O-CB 3.18Å; R140-R144 WeakPolarHBondContact O-CG 3.37Å; R140-R144 PolarHBondContact O-N 2.9Å
141	H	64.1	Low	58.8	Low	106 Å²	106	103.1 Å²	103.1	49%	0.491	49%	0.493	S	S	.	.	H	α-helix	trans	-67.9	-39.3	179.9	-165.7	-42.2	0	0	0	111.8	P137 A138 D139 R145	P137-H141 WeakPolarHBondContact O-CB 3.43Å; P137-H141 PolarHBondContact O-N 2.9Å; A138-H141 PolarHBondContact O-N 3.13Å; D139-H141 VanDerWaalsContact C-N 3.32Å; D139-H141 PolarHBondContact O-N 2.99Å; H141-R145 PolarHBondContact CE1-NE 3.12Å; H141-R145 PolarHBondContact O-N 3.46Å
142	R	63.9	Low	59.6	Low	159 Å²	159	106.5 Å²	106.5	60%	0.6	49%	0.492	S	S	*	.	H	α-helix	trans	-64.9	-43.8	178.1	-172.4	-175.3	-65.9	-172.9	0.8	111.1	A138 D139 R145	A138-R142 WeakPolarHBondContact O-CB 3.3Å; A138-R142 PolarHBondContact O-N 2.87Å; D139-R142 PolarHBondContact O-N 2.99Å; R142-R145 PolarHBondContact O-N 2.93Å
143	C	57.7	Low	60.3	Low	7 Å²	7	112.1 Å²	112.1	5%	0.047	52%	0.518	C	S	.	.	H	α-helix	trans	-56.9	-55.8	173	167.1	0	0	0	0	111.9	C101 C105 W134 D139 R145 R146	C101-C143 PolarHBondContact O-SG 3.45Å; C105-C143 HydrophobicContact CB-CB 3.48Å; C105-C143 VanDerWaalsContact CB-CB 3.48Å; C105-C143 WeakPolarHBondContact CB-SG 3.38Å; C105-C143 WeakPolarHBondContact SG-CA 3.28Å; C105-C143 WeakPolarHBondContact SG-CB 3.45Å; C105-C143 CovalentContact SG-SG 1.97Å; C105-C143 PolarHBondContact SG-SG 2.98Å; W134-C143 HydrophobicContact CH2-CB 3.54Å; W134-C143 VanDerWaalsContact CH2-SG 3.53Å; W134-C143 HydrophobicContact CZ3-CB 3.77Å; D139-C143 WeakPolarHBondContact O-CB 3.28Å; D139-C143 PolarHBondContact O-N 3.42Å; C143-R145 PolarHBondContact O-N 3.11Å; C143-R146 WeakPolarHBondContact O-CB 3.39Å; C143-R146 PolarHBondContact O-N 3.49Å
144	R	59	Low	60.8	Low	114 Å²	114	105.4 Å²	105.4	43%	0.43	49%	0.491	S	S	.	.	H	α-helix	trans	-58.4	-25.9	-177.4	-79.4	-176.1	169.8	-160	-7.9	114.2	D102 R140 R146	D102-R144 IonicContact OD1-NE 3.91Å; R140-R144 VanDerWaalsContact NH2-NH2 3.11Å; R140-R144 WeakPolarHBondContact O-CB 3.18Å; R140-R144 WeakPolarHBondContact O-CG 3.37Å; R140-R144 PolarHBondContact O-N 2.9Å; R144-R146 VanDerWaalsContact C-N 3.27Å; R144-R146 PolarHBondContact O-N 2.95Å
145	R	59.2	Low	61	Low	202 Å²	202	109.5 Å²	109.5	76%	0.762	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-15.2	174.8	-79.1	-171.1	176.8	177.5	9.4	113.8	H141 R142 C143	H141-R145 PolarHBondContact CE1-NE 3.12Å; H141-R145 PolarHBondContact O-N 3.46Å; R142-R145 PolarHBondContact O-N 2.93Å; C143-R145 PolarHBondContact O-N 3.11Å
146	R	54.1	Low	60.9	Low	208 Å²	208	102.8 Å²	102.8	79%	0.785	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-9.4	-177.9	-70.1	-175.2	177.2	-174.3	-0.8	114.8	C143 R144	C143-R146 WeakPolarHBondContact O-CB 3.39Å; C143-R146 PolarHBondContact O-N 3.49Å; R144-R146 VanDerWaalsContact C-N 3.27Å; R144-R146 PolarHBondContact O-N 2.95Å
147	C	46.5	Very low	60.3	Low	75 Å²	75	109.1 Å²	109.1	51%	0.507	51%	0.505	S	S	.	.			trans	-108.6	0	-163.4	-56.4	0	0	0	0	119.2	R97 C101	R97-C147 PolarHBondContact NH2-O 2.81Å; R97-C147 PolarHBondContact NH2-OXT 2.86Å; C101-C147 WeakPolarHBondContact CA-SG 3.26Å; C101-C147 HydrophobicContact CB-CB 3.42Å; C101-C147 VanDerWaalsContact CB-CB 3.42Å; C101-C147 WeakPolarHBondContact CB-SG 2.84Å; C101-C147 WeakPolarHBondContact SG-CB 3.28Å; C101-C147 CovalentContact SG-SG 2.02Å; C101-C147 PolarHBondContact SG-SG 3.32Å

Retrieved 147 of 147 residues in 193.5 ms (Link to these results)

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