YH193_YEAST Loading...

Putative uncharacterized protein YHR193C-A

AlphaFold DB , UniProt , Accession A0A023PYH5, Species YEAST (Saccharomyces cerevisiae (strain ATCC 204508 / S288c), Baker's yeast), Gene n/a, Length 124 aa.

						>YH193_YEAST|A0A023PYH5
MNMKMLLTRIHEMNALISSELNGRVDFFKNHRMFILSLVKILLVCTSRESLSVMYFRFDSFFDFLSGGASLPVLDSLEYALSDAAAIDGILKLLRRAGLLAQYTYLATENCRGLLRKGLVKRDI
					

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	55.1	Low	49.9	Very low	205 Å²	205	125.1 Å²	125.1	100%	1.01	61%	0.605	S	S	*	*				0	118.9	0	-165.3	162.5	71.5	0	0	107.8	M3 L6	M1-M3 PolarHBondContact O-N 3.09Å; M1-L6 HydrophobicContact CE-CD1 3.54Å; M1-L6 HydrophobicContact SD-CD1 4.36Å
2	N	66.8	Low	49.8	Very low	107 Å²	107	123.6 Å²	123.6	57%	0.572	60%	0.597	S	S	*	*			trans	-77.5	120.4	-167.9	-164.6	-18.6	0	0	0	110.2	K4 M5 L6	N2-K4 PolarHBondContact O-N 3.07Å; N2-K4 VanDerWaalsContact O-N 3.1Å; N2-M5 HydrophobicContact CB-CB 4.48Å; N2-M5 WeakPolarHBondContact O-CB 3.38Å; N2-M5 PolarHBondContact O-N 2.69Å; N2-L6 PolarHBondContact O-N 3.46Å
3	M	49.1	Very low	48.8	Very low	154 Å²	154	123 Å²	123	76%	0.759	60%	0.595	S	S	*	*	H	α-helix	trans	-56.2	-31.6	-172.2	-153.1	-179.4	-74.7	0	0	112.7	M1 L6 L7	M1-M3 PolarHBondContact O-N 3.09Å; M3-L6 PolarHBondContact O-N 2.98Å; M3-L7 PolarHBondContact O-N 2.73Å
4	K	64.8	Low	48	Very low	163 Å²	163	120.4 Å²	120.4	71%	0.709	59%	0.585	S	S	*	*	H	α-helix	trans	-60.7	-42.5	172.4	-76	-175	175.6	-178.7	0	113.2	N2 L6 L7 T8	N2-K4 PolarHBondContact O-N 3.07Å; N2-K4 VanDerWaalsContact O-N 3.1Å; K4-L6 VanDerWaalsContact C-N 3.28Å; K4-L6 PolarHBondContact O-N 2.64Å; K4-L7 PolarHBondContact O-N 3.49Å; K4-T8 PolarHBondContact O-N 3.22Å; K4-T8 PolarHBondContact O-OG1 2.96Å
5	M	52.1	Low	48.1	Very low	119 Å²	119	116.4 Å²	116.4	59%	0.586	58%	0.58	S	S	*	*	H	α-helix	trans	-65.9	-33.8	-178.8	-163.6	-163.5	-68.4	0	0	111.5	N2 R9	N2-M5 HydrophobicContact CB-CB 4.48Å; N2-M5 WeakPolarHBondContact O-CB 3.38Å; N2-M5 PolarHBondContact O-N 2.69Å; M5-R9 PolarHBondContact O-N 3.22Å
6	L	36	Very low	47.6	Very low	83 Å²	83	116.4 Å²	116.4	44%	0.435	58%	0.582	S	S	.	*	H	α-helix	trans	-68.7	-45.1	176.4	-153.8	99.5	0	0	0	111.4	M1 N2 M3 K4 R9 I10	M1-L6 HydrophobicContact CE-CD1 3.54Å; M1-L6 HydrophobicContact SD-CD1 4.36Å; N2-L6 PolarHBondContact O-N 3.46Å; M3-L6 PolarHBondContact O-N 2.98Å; K4-L6 VanDerWaalsContact C-N 3.28Å; K4-L6 PolarHBondContact O-N 2.64Å; L6-R9 PolarHBondContact O-N 3.38Å; L6-I10 HydrophobicContact CD2-CD1 4.21Å; L6-I10 WeakPolarHBondContact O-CG1 3.37Å; L6-I10 PolarHBondContact O-N 3.5Å
7	L	40.3	Very low	47	Very low	97 Å²	97	114.2 Å²	114.2	51%	0.508	57%	0.571	S	S	.	*	H	α-helix	trans	-60.7	-43.2	176.3	-92.9	155.5	0	0	0	112.3	M3 K4 R9 I10 H11	M3-L7 PolarHBondContact O-N 2.73Å; K4-L7 PolarHBondContact O-N 3.49Å; L7-R9 PolarHBondContact O-N 3.37Å; L7-I10 PolarHBondContact O-N 2.74Å; L7-H11 PolarHBondContact O-CD2 3.28Å; L7-H11 PolarHBondContact O-N 3.32Å
8	T	57.6	Low	46.9	Very low	74 Å²	74	111.2 Å²	111.2	45%	0.454	56%	0.563	S	S	.	*	H	α-helix	trans	-59.5	-46.4	175.8	-52.4	0	0	0	0	111.3	K4 I10 H11 E12	K4-T8 PolarHBondContact O-N 3.22Å; K4-T8 PolarHBondContact O-OG1 2.96Å; T8-I10 VanDerWaalsContact C-N 3.35Å; T8-I10 PolarHBondContact O-N 2.96Å; T8-H11 PolarHBondContact O-N 2.76Å; T8-E12 WeakPolarHBondContact O-CG 3.36Å; T8-E12 PolarHBondContact O-N 3.41Å
9	R	42.1	Very low	47	Very low	168 Å²	168	109.7 Å²	109.7	63%	0.634	56%	0.564	S	S	*	*	H	α-helix	trans	-61.8	-38.9	177	-88.1	-176.5	161.5	-178.3	-5	113.5	M5 L6 L7 H11 E12 M13	M5-R9 PolarHBondContact O-N 3.22Å; L6-R9 PolarHBondContact O-N 3.38Å; L7-R9 PolarHBondContact O-N 3.37Å; R9-H11 VanDerWaalsContact C-N 3.35Å; R9-E12 PolarHBondContact O-N 3.11Å; R9-M13 WeakPolarHBondContact O-CB 2.94Å; R9-M13 WeakPolarHBondContact O-CG 3.19Å; R9-M13 PolarHBondContact O-N 2.82Å
10	I	42.1	Very low	46.7	Very low	80 Å²	80	109.1 Å²	109.1	41%	0.41	56%	0.558	S	S	.	*	H	α-helix	trans	-64	-42.8	176.1	-68.7	166.9	0	0	0	110.3	L6 L7 T8 M13 N14	L6-I10 HydrophobicContact CD2-CD1 4.21Å; L6-I10 WeakPolarHBondContact O-CG1 3.37Å; L6-I10 PolarHBondContact O-N 3.5Å; L7-I10 PolarHBondContact O-N 2.74Å; T8-I10 VanDerWaalsContact C-N 3.35Å; T8-I10 PolarHBondContact O-N 2.96Å; I10-M13 PolarHBondContact O-N 3.4Å; I10-N14 WeakPolarHBondContact O-CB 3.27Å; I10-N14 PolarHBondContact O-N 2.86Å
11	H	43	Very low	46.5	Very low	126 Å²	126	106.5 Å²	106.5	58%	0.583	55%	0.545	S	S	*	.	H	α-helix	trans	-64.8	-42.1	175.9	-82.7	-60.2	0	0	0	112.7	L7 T8 R9 N14 A15	L7-H11 PolarHBondContact O-CD2 3.28Å; L7-H11 PolarHBondContact O-N 3.32Å; T8-H11 PolarHBondContact O-N 2.76Å; R9-H11 VanDerWaalsContact C-N 3.35Å; H11-N14 PolarHBondContact O-N 3.46Å; H11-A15 WeakPolarHBondContact O-CB 3.02Å; H11-A15 PolarHBondContact O-N 2.76Å
12	E	48.9	Very low	46.3	Very low	107 Å²	107	101.4 Å²	101.4	50%	0.5	52%	0.522	S	S	.	.	H	α-helix	trans	-61.2	-46	175.1	-72.9	169.4	175.9	0	0	111.4	T8 R9 A15 L16	T8-E12 WeakPolarHBondContact O-CG 3.36Å; T8-E12 PolarHBondContact O-N 3.41Å; R9-E12 PolarHBondContact O-N 3.11Å; E12-A15 PolarHBondContact O-N 3Å; E12-L16 WeakPolarHBondContact O-CB 3.49Å; E12-L16 WeakPolarHBondContact O-CG 3.29Å; E12-L16 PolarHBondContact O-N 2.99Å
13	M	35.9	Very low	45.7	Very low	116 Å²	116	98.4 Å²	98.4	57%	0.571	52%	0.516	S	S	*	.	H	α-helix	trans	-61.2	-45.6	175.1	-80.2	179.2	64.3	0	0	111.7	R9 I10 A15 L16 I17	R9-M13 WeakPolarHBondContact O-CB 2.94Å; R9-M13 WeakPolarHBondContact O-CG 3.19Å; R9-M13 PolarHBondContact O-N 2.82Å; I10-M13 PolarHBondContact O-N 3.4Å; M13-A15 VanDerWaalsContact C-N 3.32Å; M13-A15 PolarHBondContact O-N 3.08Å; M13-L16 PolarHBondContact O-N 2.95Å; M13-I17 WeakPolarHBondContact O-CB 3.39Å; M13-I17 WeakPolarHBondContact O-CG1 3.27Å; M13-I17 PolarHBondContact O-N 3.01Å
14	N	38.7	Very low	45.7	Very low	86 Å²	86	92.7 Å²	92.7	46%	0.46	49%	0.486	S	S	.	.	H	α-helix	trans	-63.6	-38.5	178.1	-79.3	-13.1	0	0	0	112	I10 H11 S18	I10-N14 WeakPolarHBondContact O-CB 3.27Å; I10-N14 PolarHBondContact O-N 2.86Å; H11-N14 PolarHBondContact O-N 3.46Å; N14-S18 WeakPolarHBondContact O-CB 3.47Å; N14-S18 PolarHBondContact O-N 3.27Å; N14-S18 PolarHBondContact O-OG 3.05Å
15	A	48.2	Very low	45.1	Very low	61 Å²	61	88 Å²	88	50%	0.504	47%	0.471	S	S	.	.	H	α-helix	trans	-66.6	-42.2	175.9	0	0	0	0	0	111.5	H11 E12 M13 S18 S19	H11-A15 WeakPolarHBondContact O-CB 3.02Å; H11-A15 PolarHBondContact O-N 2.76Å; E12-A15 PolarHBondContact O-N 3Å; M13-A15 VanDerWaalsContact C-N 3.32Å; M13-A15 PolarHBondContact O-N 3.08Å; A15-S18 PolarHBondContact O-N 3.45Å; A15-S19 WeakPolarHBondContact O-CB 3.3Å; A15-S19 PolarHBondContact O-N 3.37Å
16	L	40.8	Very low	45.2	Very low	117 Å²	117	86.4 Å²	86.4	61%	0.613	47%	0.465	S	S	*	.	H	α-helix	trans	-63.1	-48.4	175.1	-77.1	167.1	0	0	0	111.5	E12 M13 S18 S19 E20	E12-L16 WeakPolarHBondContact O-CB 3.49Å; E12-L16 WeakPolarHBondContact O-CG 3.29Å; E12-L16 PolarHBondContact O-N 2.99Å; M13-L16 PolarHBondContact O-N 2.95Å; L16-S18 VanDerWaalsContact C-N 3.33Å; L16-S18 PolarHBondContact O-N 2.87Å; L16-S19 PolarHBondContact O-N 2.93Å; L16-E20 WeakPolarHBondContact O-CB 3.5Å; L16-E20 PolarHBondContact O-N 3.5Å
17	I	38.1	Very low	46	Very low	78 Å²	78	83.8 Å²	83.8	40%	0.4	45%	0.45	S	S	.	.	H	α-helix	trans	-60	-45.7	177.4	-70.1	165.4	0	0	0	110.1	M13 L21	M13-I17 WeakPolarHBondContact O-CB 3.39Å; M13-I17 WeakPolarHBondContact O-CG1 3.27Å; M13-I17 PolarHBondContact O-N 3.01Å; I17-L21 HydrophobicContact CG2-CD1 3.61Å; I17-L21 HydrophobicContact CG2-CG 4.4Å; I17-L21 WeakPolarHBondContact O-CB 3.48Å; I17-L21 VanDerWaalsContact O-CG 3.31Å; I17-L21 WeakPolarHBondContact O-CG 3.4Å; I17-L21 PolarHBondContact O-N 3.31Å
18	S	43.9	Very low	46.4	Very low	60 Å²	60	79.6 Å²	79.6	42%	0.42	43%	0.428	S	S	.	.	H	α-helix	trans	-66.8	-38.2	179.3	-58.1	0	0	0	0	112	N14 A15 L16 N22	N14-S18 WeakPolarHBondContact O-CB 3.47Å; N14-S18 PolarHBondContact O-N 3.27Å; N14-S18 PolarHBondContact O-OG 3.05Å; A15-S18 PolarHBondContact O-N 3.45Å; L16-S18 VanDerWaalsContact C-N 3.33Å; L16-S18 PolarHBondContact O-N 2.87Å; S18-N22 WeakPolarHBondContact O-CB 3.49Å; S18-N22 PolarHBondContact O-N 3.43Å; S18-N22 PolarHBondContact O-ND2 2.99Å
19	S	49.2	Very low	46.3	Very low	83 Å²	83	83 Å²	83	58%	0.58	44%	0.436	S	S	*	.	H	α-helix	trans	-67.3	-47	177.1	-177.2	0	0	0	0	111.6	A15 L16 N22 G23	A15-S19 WeakPolarHBondContact O-CB 3.3Å; A15-S19 PolarHBondContact O-N 3.37Å; L16-S19 PolarHBondContact O-N 2.93Å; S19-N22 PolarHBondContact O-N 2.77Å; S19-G23 PolarHBondContact O-N 2.98Å
20	E	41.6	Very low	46.7	Very low	98 Å²	98	80.6 Å²	80.6	46%	0.458	44%	0.436	S	S	.	.	H	α-helix	trans	-59.4	-47.8	173.6	-86.6	-97.4	156.9	0	0	111	L16 G23 R24	L16-E20 WeakPolarHBondContact O-CB 3.5Å; L16-E20 PolarHBondContact O-N 3.5Å; E20-G23 PolarHBondContact O-N 3.19Å; E20-R24 WeakPolarHBondContact O-CB 3.35Å; E20-R24 WeakPolarHBondContact O-CD 3.17Å; E20-R24 WeakPolarHBondContact O-CG 3.48Å; E20-R24 PolarHBondContact O-N 3.32Å; E20-R24 IonicContact OE2-CZ 3.42Å; E20-R24 IonicContact OE2-NE 3.5Å; E20-R24 PolarHBondContact OE2-NE 3.03Å; E20-R24 VanDerWaalsContact OE2-NE 3.12Å; E20-R24 IonicContact OE2-NH2 3.44Å; E20-R24 PolarHBondContact OE2-NH2 3.16Å
21	L	42.5	Very low	47.1	Very low	54 Å²	54	78 Å²	78	28%	0.283	42%	0.422	S	S	.	.	H	α-helix	trans	-61.6	-48.3	177.4	-84.9	166.3	0	0	0	111.6	I17 G23 R24 V25 L71	I17-L21 HydrophobicContact CG2-CD1 3.61Å; I17-L21 HydrophobicContact CG2-CG 4.4Å; I17-L21 WeakPolarHBondContact O-CB 3.48Å; I17-L21 VanDerWaalsContact O-CG 3.31Å; I17-L21 WeakPolarHBondContact O-CG 3.4Å; I17-L21 PolarHBondContact O-N 3.31Å; L21-G23 PolarHBondContact O-N 3.46Å; L21-R24 PolarHBondContact O-N 2.88Å; L21-V25 WeakPolarHBondContact O-CB 3.32Å; L21-V25 VanDerWaalsContact O-CG2 3.24Å; L21-V25 WeakPolarHBondContact O-CG2 3.28Å; L21-V25 PolarHBondContact O-N 3.19Å; L21-L71 HydrophobicContact CD1-CD1 4.42Å; L21-L71 HydrophobicContact CD2-CD1 3.97Å; L21-L71 HydrophobicContact CD2-CD2 3.49Å; L21-L71 VanDerWaalsContact CD2-CD2 3.49Å; L21-L71 HydrophobicContact CD2-CG 3.7Å; L21-L71 HydrophobicContact CG-CD1 4.43Å; L21-L71 HydrophobicContact CG-CD2 4.18Å
22	N	51.5	Low	47.4	Very low	99 Å²	99	78.3 Å²	78.3	53%	0.529	42%	0.418	S	S	.	.	H	α-helix	trans	-62.5	-45	179.3	-75.5	-18.9	0	0	0	111	S18 S19 R24 V25 D26	S18-N22 WeakPolarHBondContact O-CB 3.49Å; S18-N22 PolarHBondContact O-N 3.43Å; S18-N22 PolarHBondContact O-ND2 2.99Å; S19-N22 PolarHBondContact O-N 2.77Å; N22-R24 VanDerWaalsContact C-N 3.26Å; N22-R24 PolarHBondContact O-N 3.22Å; N22-V25 PolarHBondContact O-N 3.38Å; N22-D26 WeakPolarHBondContact O-CB 3.44Å; N22-D26 PolarHBondContact O-N 3.37Å
23	G	53	Low	47.5	Very low	43 Å²	43	80.1 Å²	80.1	44%	0.443	43%	0.429	S	S	.	.	H	α-helix	trans	-60.7	-36.5	177.1	0	0	0	0	0	112.7	S19 E20 L21 F27	S19-G23 PolarHBondContact O-N 2.98Å; E20-G23 PolarHBondContact O-N 3.19Å; L21-G23 PolarHBondContact O-N 3.46Å; G23-F27 VanDerWaalsContact O-CB 3.32Å; G23-F27 WeakPolarHBondContact O-CB 3.29Å; G23-F27 PolarHBondContact O-N 3.04Å
24	R	49.5	Very low	48.2	Very low	34 Å²	34	74.9 Å²	74.9	13%	0.128	40%	0.402	C	S	.	.	H	α-helix	trans	-73.3	-45.4	174.2	-68.9	169.3	-171.7	-141.9	3.8	111.7	E20 L21 N22 D26 F27 F28 L74 D75	E20-R24 WeakPolarHBondContact O-CB 3.35Å; E20-R24 WeakPolarHBondContact O-CD 3.17Å; E20-R24 WeakPolarHBondContact O-CG 3.48Å; E20-R24 PolarHBondContact O-N 3.32Å; E20-R24 IonicContact OE2-CZ 3.42Å; E20-R24 IonicContact OE2-NE 3.5Å; E20-R24 PolarHBondContact OE2-NE 3.03Å; E20-R24 VanDerWaalsContact OE2-NE 3.12Å; E20-R24 IonicContact OE2-NH2 3.44Å; E20-R24 PolarHBondContact OE2-NH2 3.16Å; L21-R24 PolarHBondContact O-N 2.88Å; N22-R24 VanDerWaalsContact C-N 3.26Å; N22-R24 PolarHBondContact O-N 3.22Å; R24-D26 VanDerWaalsContact C-N 3.3Å; R24-D26 PolarHBondContact O-N 3.19Å; R24-F27 CarbonylContact O-C 3.59Å; R24-F27 WeakPolarHBondContact O-CA 3.21Å; R24-F27 VanDerWaalsContact O-CB 3.31Å; R24-F27 WeakPolarHBondContact O-CB 3.35Å; R24-F27 PolarHBondContact O-N 3.2Å; R24-F27 VanDerWaalsContact O-N 3.13Å; R24-F28 WeakPolarHBondContact O-CD2 3.2Å; R24-F28 PolarHBondContact O-N 2.76Å; R24-L74 HydrophobicContact CB-CD1 4.31Å; R24-D75 IonicContact CZ-OD1 3.33Å; R24-D75 VanDerWaalsContact NH1-CG 3.29Å; R24-D75 IonicContact NH1-OD1 3.12Å; R24-D75 PolarHBondContact NH1-OD1 2.84Å; R24-D75 IonicContact NH1-OD2 2.64Å; R24-D75 PolarHBondContact NH1-OD2 3.24Å; R24-D75 IonicContact NH2-OD1 2.76Å; R24-D75 PolarHBondContact NH2-OD1 3.11Å
25	V	51.9	Low	48.8	Very low	66 Å²	66	70.8 Å²	70.8	40%	0.4	38%	0.381	S	S	.	.	H	α-helix	trans	-59.2	-43.9	176.9	169.3	0	0	0	0	110.3	L21 N22 F28 K29	L21-V25 WeakPolarHBondContact O-CB 3.32Å; L21-V25 VanDerWaalsContact O-CG2 3.24Å; L21-V25 WeakPolarHBondContact O-CG2 3.28Å; L21-V25 PolarHBondContact O-N 3.19Å; N22-V25 PolarHBondContact O-N 3.38Å; V25-F28 PolarHBondContact O-N 2.84Å; V25-K29 WeakPolarHBondContact O-CB 3.42Å; V25-K29 PolarHBondContact O-N 3.17Å
26	D	55	Low	49	Very low	84 Å²	84	70.9 Å²	70.9	45%	0.449	37%	0.372	S	S	.	.	H	α-helix	trans	-65.2	-40.9	175.3	-75.8	-28.5	0	0	0	111.5	N22 R24 K29 N30	N22-D26 WeakPolarHBondContact O-CB 3.44Å; N22-D26 PolarHBondContact O-N 3.37Å; R24-D26 VanDerWaalsContact C-N 3.3Å; R24-D26 PolarHBondContact O-N 3.19Å; D26-K29 PolarHBondContact O-N 3.32Å; D26-N30 VanDerWaalsContact O-CB 3.22Å; D26-N30 WeakPolarHBondContact O-CB 3.18Å; D26-N30 PolarHBondContact O-N 2.92Å; D26-N30 PolarHBondContact O-ND2 3.41Å; D26-N30 VanDerWaalsContact O-ND2 3.1Å
27	F	52.6	Low	49.3	Very low	29 Å²	29	66.2 Å²	66.2	13%	0.127	35%	0.35	C	S	.	.	H	α-helix	trans	-55.1	-56.1	170.6	175.2	-91.3	0	0	0	110.3	G23 R24 K29 N30 H31 L114	G23-F27 VanDerWaalsContact O-CB 3.32Å; G23-F27 WeakPolarHBondContact O-CB 3.29Å; G23-F27 PolarHBondContact O-N 3.04Å; R24-F27 CarbonylContact O-C 3.59Å; R24-F27 WeakPolarHBondContact O-CA 3.21Å; R24-F27 VanDerWaalsContact O-CB 3.31Å; R24-F27 WeakPolarHBondContact O-CB 3.35Å; R24-F27 PolarHBondContact O-N 3.2Å; R24-F27 VanDerWaalsContact O-N 3.13Å; F27-K29 VanDerWaalsContact C-N 3.32Å; F27-K29 PolarHBondContact O-N 3.46Å; F27-N30 PolarHBondContact O-N 3.47Å; F27-H31 AromaticContact CD2-CE1 3.39Å; F27-H31 WeakPolarHBondContact CD2-CE1 3.47Å; F27-H31 AromaticContact CD2-ND1 3.56Å; F27-H31 AromaticContact CD2-NE2 3.95Å; F27-H31 HydrophobicContact CE1-CB 4.47Å; F27-H31 AromaticContact CE2-CD2 3.71Å; F27-H31 AromaticContact CE2-CE1 3.27Å; F27-H31 WeakPolarHBondContact CE2-CE1 3.45Å; F27-H31 AromaticContact CE2-CG 3.86Å; F27-H31 AromaticContact CE2-ND1 3.58Å; F27-H31 AromaticContact CE2-NE2 3.32Å; F27-H31 VanDerWaalsContact CE2-NE2 3.32Å; F27-H31 WeakPolarHBondContact CE2-NE2 3.33Å; F27-H31 AromaticContact CG-ND1 3.97Å; F27-H31 HydrophobicContact CZ-CB 4.45Å; F27-H31 AromaticContact CZ-CD2 3.73Å; F27-H31 AromaticContact CZ-CG 3.81Å; F27-H31 AromaticContact CZ-ND1 3.98Å; F27-H31 AromaticContact CZ-NE2 3.85Å; F27-H31 VanDerWaalsContact O-CB 3.27Å; F27-H31 WeakPolarHBondContact O-CB 3.47Å; F27-H31 VanDerWaalsContact O-CG 3.29Å; F27-H31 PolarHBondContact O-N 2.93Å; F27-H31 PolarHBondContact O-ND1 2.87Å; F27-L114 HydrophobicContact CE1-CD2 4.21Å; F27-L114 HydrophobicContact CE2-CD2 4.07Å; F27-L114 HydrophobicContact CE2-CG 4.2Å; F27-L114 HydrophobicContact CZ-CD1 4Å; F27-L114 HydrophobicContact CZ-CD2 3.52Å; F27-L114 HydrophobicContact CZ-CG 3.82Å
28	F	49.4	Very low	49.9	Very low	9 Å²	9	62.7 Å²	62.7	4%	0.039	33%	0.331	C	S	.	.	H	α-helix	trans	-65.1	-32.9	-179.1	-77.8	-76	0	0	0	113.1	R24 V25 H31 R32 I35 F61 F64 L74 L77	R24-F28 WeakPolarHBondContact O-CD2 3.2Å; R24-F28 PolarHBondContact O-N 2.76Å; V25-F28 PolarHBondContact O-N 2.84Å; F28-H31 CarbonylContact O-C 3.6Å; F28-H31 PolarHBondContact O-N 3.45Å; F28-R32 WeakPolarHBondContact O-CA 3.21Å; F28-R32 WeakPolarHBondContact O-CB 3.13Å; F28-R32 PolarHBondContact O-N 3.46Å; F28-I35 HydrophobicContact CD1-CD1 3.42Å; F28-I35 VanDerWaalsContact CD1-CD1 3.42Å; F28-I35 HydrophobicContact CE1-CD1 3.76Å; F28-F61 HydrophobicContact CD1-CE2 4.36Å; F28-F61 HydrophobicContact CE1-CE2 4.45Å; F28-F64 HydrophobicContact CB-CE1 3.88Å; F28-F64 HydrophobicContact CB-CZ 3.98Å; F28-F64 HydrophobicContact CD1-CE1 4.27Å; F28-F64 HydrophobicContact CD2-CZ 4.38Å; F28-F64 HydrophobicContact CG-CE1 4.03Å; F28-F64 HydrophobicContact CG-CZ 4.1Å; F28-L74 HydrophobicContact CD1-CD2 4.11Å; F28-L74 HydrophobicContact CD2-CD1 4.2Å; F28-L74 HydrophobicContact CD2-CD2 3.35Å; F28-L74 HydrophobicContact CD2-CG 4.29Å; F28-L74 HydrophobicContact CE1-CD2 3.93Å; F28-L74 HydrophobicContact CE2-CB 4.03Å; F28-L74 HydrophobicContact CE2-CD1 4.19Å; F28-L74 HydrophobicContact CE2-CD2 3.18Å; F28-L74 HydrophobicContact CE2-CG 4Å; F28-L74 HydrophobicContact CG-CD2 3.88Å; F28-L74 HydrophobicContact CZ-CB 4.4Å; F28-L74 HydrophobicContact CZ-CD2 3.5Å; F28-L74 VanDerWaalsContact CZ-CD2 3.5Å; F28-L77 HydrophobicContact CE1-CB 4.47Å; F28-L77 HydrophobicContact CZ-CB 4.41Å
29	K	53.9	Low	50.3	Low	145 Å²	145	60.4 Å²	60.4	63%	0.63	32%	0.315	S	S	*	.	H	α-helix	trans	-67.3	-46.7	175.8	-171.9	179.2	179.8	-176	0	111	V25 D26 F27 H31 R32	V25-K29 WeakPolarHBondContact O-CB 3.42Å; V25-K29 PolarHBondContact O-N 3.17Å; D26-K29 PolarHBondContact O-N 3.32Å; F27-K29 VanDerWaalsContact C-N 3.32Å; F27-K29 PolarHBondContact O-N 3.46Å; K29-H31 VanDerWaalsContact C-N 3.28Å; K29-H31 PolarHBondContact O-N 3.36Å; K29-R32 WeakPolarHBondContact O-CB 3.35Å; K29-R32 PolarHBondContact O-N 3.05Å
30	N	50.7	Low	50.2	Low	118 Å²	118	63.8 Å²	63.8	63%	0.631	32%	0.319	S	S	*	.	H	α-helix	trans	-68.5	-30	177.4	-68	-25.7	0	0	0	111.9	D26 F27	D26-N30 VanDerWaalsContact O-CB 3.22Å; D26-N30 WeakPolarHBondContact O-CB 3.18Å; D26-N30 PolarHBondContact O-N 2.92Å; D26-N30 PolarHBondContact O-ND2 3.41Å; D26-N30 VanDerWaalsContact O-ND2 3.1Å; F27-N30 PolarHBondContact O-N 3.47Å
31	H	50.3	Low	50.3	Low	24 Å²	24	59.7 Å²	59.7	11%	0.111	30%	0.3	C	S	.	.	H	α-helix	trans	-97.3	0.5	178.8	-62.9	68.8	0	0	0	112.3	F27 F28 K29 M33 F34 I35 N110	F27-H31 AromaticContact CD2-CE1 3.39Å; F27-H31 WeakPolarHBondContact CD2-CE1 3.47Å; F27-H31 AromaticContact CD2-ND1 3.56Å; F27-H31 AromaticContact CD2-NE2 3.95Å; F27-H31 HydrophobicContact CE1-CB 4.47Å; F27-H31 AromaticContact CE2-CD2 3.71Å; F27-H31 AromaticContact CE2-CE1 3.27Å; F27-H31 WeakPolarHBondContact CE2-CE1 3.45Å; F27-H31 AromaticContact CE2-CG 3.86Å; F27-H31 AromaticContact CE2-ND1 3.58Å; F27-H31 AromaticContact CE2-NE2 3.32Å; F27-H31 VanDerWaalsContact CE2-NE2 3.32Å; F27-H31 WeakPolarHBondContact CE2-NE2 3.33Å; F27-H31 AromaticContact CG-ND1 3.97Å; F27-H31 HydrophobicContact CZ-CB 4.45Å; F27-H31 AromaticContact CZ-CD2 3.73Å; F27-H31 AromaticContact CZ-CG 3.81Å; F27-H31 AromaticContact CZ-ND1 3.98Å; F27-H31 AromaticContact CZ-NE2 3.85Å; F27-H31 VanDerWaalsContact O-CB 3.27Å; F27-H31 WeakPolarHBondContact O-CB 3.47Å; F27-H31 VanDerWaalsContact O-CG 3.29Å; F27-H31 PolarHBondContact O-N 2.93Å; F27-H31 PolarHBondContact O-ND1 2.87Å; F28-H31 CarbonylContact O-C 3.6Å; F28-H31 PolarHBondContact O-N 3.45Å; K29-H31 VanDerWaalsContact C-N 3.28Å; K29-H31 PolarHBondContact O-N 3.36Å; H31-M33 VanDerWaalsContact C-N 3.27Å; H31-M33 PolarHBondContact O-N 3.26Å; H31-F34 CarbonylContact O-C 3.59Å; H31-F34 WeakPolarHBondContact O-CA 3.41Å; H31-F34 VanDerWaalsContact O-CB 3.29Å; H31-F34 WeakPolarHBondContact O-CB 3.37Å; H31-F34 PolarHBondContact O-N 3.27Å; H31-I35 HydrophobicContact CB-CD1 3.98Å; H31-I35 HydrophobicContact CB-CG1 4.2Å; H31-I35 VanDerWaalsContact O-CG1 3.29Å; H31-I35 WeakPolarHBondContact O-CG1 3.39Å; H31-I35 PolarHBondContact O-N 3.1Å; H31-N110 VanDerWaalsContact CD2-CB 3.49Å; H31-N110 WeakPolarHBondContact CD2-CB 3.12Å; H31-N110 PolarHBondContact CD2-ND2 3.37Å; H31-N110 WeakPolarHBondContact NE2-CB 3.18Å; H31-N110 PolarHBondContact NE2-ND2 3.41Å; H31-N110 PolarHBondContact NE2-OD1 3.47Å
32	R	50.5	Low	50.5	Low	133 Å²	133	57.4 Å²	57.4	50%	0.502	29%	0.288	S	S	.	.	H	α-helix	trans	-56.9	-44.4	-172.7	-173.7	179	176.8	-170.5	1.4	111	F28 K29 I35 L36 L65	F28-R32 WeakPolarHBondContact O-CA 3.21Å; F28-R32 WeakPolarHBondContact O-CB 3.13Å; F28-R32 PolarHBondContact O-N 3.46Å; K29-R32 WeakPolarHBondContact O-CB 3.35Å; K29-R32 PolarHBondContact O-N 3.05Å; R32-I35 PolarHBondContact O-N 3.44Å; R32-L36 HydrophobicContact CG-CD1 3.95Å; R32-L36 HydrophobicContact CG-CG 4.33Å; R32-L36 VanDerWaalsContact O-CB 3.27Å; R32-L36 WeakPolarHBondContact O-CB 3.46Å; R32-L36 VanDerWaalsContact O-CG 3.22Å; R32-L36 WeakPolarHBondContact O-CG 3.29Å; R32-L36 PolarHBondContact O-N 2.85Å; R32-L65 HydrophobicContact CG-CD2 4.09Å
33	M	50.8	Low	50.2	Low	146 Å²	146	57.5 Å²	57.5	72%	0.719	29%	0.288	S	S	*	.	H	α-helix	trans	-64.4	-41.7	176.5	-102.7	-143.4	-71	0	0	112.3	H31 S37	H31-M33 VanDerWaalsContact C-N 3.27Å; H31-M33 PolarHBondContact O-N 3.26Å; M33-S37 VanDerWaalsContact O-CB 3.29Å; M33-S37 WeakPolarHBondContact O-CB 3.33Å; M33-S37 PolarHBondContact O-N 2.83Å; M33-S37 PolarHBondContact O-OG 3.33Å
34	F	49.4	Very low	49.5	Very low	5 Å²	5	60.4 Å²	60.4	2%	0.022	30%	0.297	C	S	.	.	H	α-helix	trans	-59.4	-50.6	174.9	179.6	-110.3	0	0	0	110.6	H31 S37 L38 L106 A107	H31-F34 CarbonylContact O-C 3.59Å; H31-F34 WeakPolarHBondContact O-CA 3.41Å; H31-F34 VanDerWaalsContact O-CB 3.29Å; H31-F34 WeakPolarHBondContact O-CB 3.37Å; H31-F34 PolarHBondContact O-N 3.27Å; F34-S37 CarbonylContact O-C 3.36Å; F34-S37 WeakPolarHBondContact O-CB 3.4Å; F34-S37 PolarHBondContact O-N 3.24Å; F34-L38 HydrophobicContact CE1-CD1 4.19Å; F34-L38 HydrophobicContact CE2-CD1 4.48Å; F34-L38 HydrophobicContact CZ-CD1 3.92Å; F34-L38 WeakPolarHBondContact O-CB 3.22Å; F34-L38 PolarHBondContact O-N 3.48Å; F34-L106 HydrophobicContact CB-CD2 3.64Å; F34-L106 HydrophobicContact CD2-CB 3.79Å; F34-L106 HydrophobicContact CD2-CD2 4.12Å; F34-L106 HydrophobicContact CE2-CB 4.29Å; F34-L106 HydrophobicContact CG-CD2 4.23Å; F34-A107 HydrophobicContact CE2-CB 3.98Å; F34-A107 HydrophobicContact CZ-CB 4.25Å
35	I	52.8	Low	48.9	Very low	1 Å²	1	59.8 Å²	59.8	1%	0.005	30%	0.298	C	S	.	.	H	α-helix	trans	-70.4	-38.3	-175.2	-50.4	160.5	0	0	0	110.7	F28 H31 R32 S37 L38 V39 F61	F28-I35 HydrophobicContact CD1-CD1 3.42Å; F28-I35 VanDerWaalsContact CD1-CD1 3.42Å; F28-I35 HydrophobicContact CE1-CD1 3.76Å; H31-I35 HydrophobicContact CB-CD1 3.98Å; H31-I35 HydrophobicContact CB-CG1 4.2Å; H31-I35 VanDerWaalsContact O-CG1 3.29Å; H31-I35 WeakPolarHBondContact O-CG1 3.39Å; H31-I35 PolarHBondContact O-N 3.1Å; R32-I35 PolarHBondContact O-N 3.44Å; I35-S37 VanDerWaalsContact C-N 3.31Å; I35-S37 PolarHBondContact O-N 3.25Å; I35-L38 CarbonylContact O-C 3.44Å; I35-L38 WeakPolarHBondContact O-CB 3.27Å; I35-L38 PolarHBondContact O-N 2.93Å; I35-V39 HydrophobicContact CG2-CG2 4.36Å; I35-V39 WeakPolarHBondContact O-CB 3.27Å; I35-V39 VanDerWaalsContact O-CG2 3.28Å; I35-V39 WeakPolarHBondContact O-CG2 3.25Å; I35-V39 PolarHBondContact O-N 2.9Å; I35-F61 HydrophobicContact CB-CE1 4.17Å; I35-F61 HydrophobicContact CB-CZ 3.69Å; I35-F61 HydrophobicContact CD1-CE2 4.35Å; I35-F61 HydrophobicContact CD1-CZ 4.15Å; I35-F61 HydrophobicContact CG2-CD1 4.2Å; I35-F61 HydrophobicContact CG2-CE1 3.27Å; I35-F61 HydrophobicContact CG2-CE2 3.88Å; I35-F61 HydrophobicContact CG2-CZ 3.06Å
36	L	51.5	Low	48.1	Very low	62 Å²	62	57.8 Å²	57.8	33%	0.325	29%	0.286	S	S	.	.	H	α-helix	trans	-60.9	-41.3	171.5	-76.5	173.3	0	0	0	111.9	R32 L38 V39 K40 L65	R32-L36 HydrophobicContact CG-CD1 3.95Å; R32-L36 HydrophobicContact CG-CG 4.33Å; R32-L36 VanDerWaalsContact O-CB 3.27Å; R32-L36 WeakPolarHBondContact O-CB 3.46Å; R32-L36 VanDerWaalsContact O-CG 3.22Å; R32-L36 WeakPolarHBondContact O-CG 3.29Å; R32-L36 PolarHBondContact O-N 2.85Å; L36-L38 VanDerWaalsContact C-N 3.33Å; L36-V39 PolarHBondContact O-N 3.34Å; L36-K40 WeakPolarHBondContact O-CG 3.38Å; L36-K40 PolarHBondContact O-N 3.23Å; L36-L65 HydrophobicContact CD2-CD1 3.53Å; L36-L65 HydrophobicContact CG-CD1 4.36Å
37	S	46.9	Very low	47.4	Very low	20 Å²	20	58.4 Å²	58.4	14%	0.14	30%	0.297	C	S	.	.	H	α-helix	trans	-65.7	-41.4	175.9	-55.6	0	0	0	0	110.5	M33 F34 I35 K40 I41 Y103	M33-S37 VanDerWaalsContact O-CB 3.29Å; M33-S37 WeakPolarHBondContact O-CB 3.33Å; M33-S37 PolarHBondContact O-N 2.83Å; M33-S37 PolarHBondContact O-OG 3.33Å; F34-S37 CarbonylContact O-C 3.36Å; F34-S37 WeakPolarHBondContact O-CB 3.4Å; F34-S37 PolarHBondContact O-N 3.24Å; I35-S37 VanDerWaalsContact C-N 3.31Å; I35-S37 PolarHBondContact O-N 3.25Å; S37-K40 PolarHBondContact O-N 3.16Å; S37-I41 WeakPolarHBondContact O-CD1 3.39Å; S37-I41 WeakPolarHBondContact O-CG1 3.21Å; S37-I41 PolarHBondContact O-N 3.5Å; S37-Y103 PolarHBondContact OG-OH 3.19Å; S37-Y103 VanDerWaalsContact OG-OH 3.11Å
38	L	52.1	Low	46.7	Very low	3 Å²	3	65.5 Å²	65.5	2%	0.016	32%	0.323	C	S	.	.	H	α-helix	trans	-60.7	-47.4	175.3	-159.7	89.9	0	0	0	111.6	F34 I35 L36 K40 I41 L42 F58 L81 I90	F34-L38 HydrophobicContact CE1-CD1 4.19Å; F34-L38 HydrophobicContact CE2-CD1 4.48Å; F34-L38 HydrophobicContact CZ-CD1 3.92Å; F34-L38 WeakPolarHBondContact O-CB 3.22Å; F34-L38 PolarHBondContact O-N 3.48Å; I35-L38 CarbonylContact O-C 3.44Å; I35-L38 WeakPolarHBondContact O-CB 3.27Å; I35-L38 PolarHBondContact O-N 2.93Å; L36-L38 VanDerWaalsContact C-N 3.33Å; L38-K40 VanDerWaalsContact C-N 3.35Å; L38-K40 PolarHBondContact O-N 3.35Å; L38-I41 CarbonylContact O-C 3.56Å; L38-I41 WeakPolarHBondContact O-CB 3.5Å; L38-I41 PolarHBondContact O-N 3.46Å; L38-L42 HydrophobicContact CD2-CD1 4.13Å; L38-L42 HydrophobicContact CG-CD1 4.24Å; L38-L42 WeakPolarHBondContact O-CB 3.39Å; L38-L42 VanDerWaalsContact O-CG 3.29Å; L38-L42 WeakPolarHBondContact O-CG 3.5Å; L38-L42 PolarHBondContact O-N 3.4Å; L38-F58 HydrophobicContact CD2-CZ 4.36Å; L38-L81 HydrophobicContact CD2-CD2 3.71Å; L38-I90 HydrophobicContact CD1-CB 4.19Å; L38-I90 HydrophobicContact CD1-CD1 3.93Å; L38-I90 HydrophobicContact CD1-CG1 3.85Å; L38-I90 HydrophobicContact CD1-CG2 3.35Å; L38-I90 HydrophobicContact CD2-CD1 3.8Å; L38-I90 HydrophobicContact CD2-CG1 4.28Å; L38-I90 HydrophobicContact CG-CD1 4.35Å; L38-I90 HydrophobicContact CG-CG1 4.35Å
39	V	50.9	Low	46.1	Very low	13 Å²	13	74 Å²	74	8%	0.079	36%	0.362	C	S	.	.	H	α-helix	trans	-61.8	-44.1	176.7	168.5	0	0	0	0	110	I35 L36 I41 L42 L43 F58 F61 F62	I35-V39 HydrophobicContact CG2-CG2 4.36Å; I35-V39 WeakPolarHBondContact O-CB 3.27Å; I35-V39 VanDerWaalsContact O-CG2 3.28Å; I35-V39 WeakPolarHBondContact O-CG2 3.25Å; I35-V39 PolarHBondContact O-N 2.9Å; L36-V39 PolarHBondContact O-N 3.34Å; V39-I41 VanDerWaalsContact C-N 3.33Å; V39-I41 PolarHBondContact O-N 2.9Å; V39-L42 PolarHBondContact O-N 2.65Å; V39-L43 VanDerWaalsContact O-CB 3.29Å; V39-L43 WeakPolarHBondContact O-CB 3.38Å; V39-L43 PolarHBondContact O-N 3.11Å; V39-F58 HydrophobicContact CG2-CD1 3.76Å; V39-F58 HydrophobicContact CG2-CE1 3.84Å; V39-F61 HydrophobicContact CG2-CD1 3.75Å; V39-F61 HydrophobicContact CG2-CE1 3.72Å; V39-F62 HydrophobicContact CG1-CE2 3.78Å; V39-F62 HydrophobicContact CG1-CZ 4.29Å
40	K	47.4	Very low	45.3	Very low	153 Å²	153	72.4 Å²	72.4	67%	0.665	37%	0.37	S	S	*	.	H	α-helix	trans	-59.2	-44.4	174	-77.7	-178.9	177.5	-176.6	0	111.8	L36 S37 L38 L43 V44	L36-K40 WeakPolarHBondContact O-CG 3.38Å; L36-K40 PolarHBondContact O-N 3.23Å; S37-K40 PolarHBondContact O-N 3.16Å; L38-K40 VanDerWaalsContact C-N 3.35Å; L38-K40 PolarHBondContact O-N 3.35Å; K40-L43 PolarHBondContact O-N 3.06Å; K40-V44 VanDerWaalsContact O-CG2 3.27Å; K40-V44 WeakPolarHBondContact O-CG2 3.29Å; K40-V44 PolarHBondContact O-N 3.19Å
41	I	43.2	Very low	44.7	Very low	12 Å²	12	67.6 Å²	67.6	6%	0.062	34%	0.344	C	S	.	.	H	α-helix	trans	-62.8	-47.1	177	-69.1	157.8	0	0	0	110.2	S37 L38 V39 L43 V44 C45 L93 L94 L99	S37-I41 WeakPolarHBondContact O-CD1 3.39Å; S37-I41 WeakPolarHBondContact O-CG1 3.21Å; S37-I41 PolarHBondContact O-N 3.5Å; L38-I41 CarbonylContact O-C 3.56Å; L38-I41 WeakPolarHBondContact O-CB 3.5Å; L38-I41 PolarHBondContact O-N 3.46Å; V39-I41 VanDerWaalsContact C-N 3.33Å; V39-I41 PolarHBondContact O-N 2.9Å; I41-L43 VanDerWaalsContact C-N 3.34Å; I41-L43 PolarHBondContact O-N 2.8Å; I41-V44 PolarHBondContact O-N 2.92Å; I41-C45 VanDerWaalsContact O-CB 3.27Å; I41-C45 WeakPolarHBondContact O-CB 3.32Å; I41-C45 PolarHBondContact O-N 3.12Å; I41-C45 PolarHBondContact O-SG 2.81Å; I41-L93 HydrophobicContact CG2-CB 3.68Å; I41-L93 HydrophobicContact CG2-CD1 4.39Å; I41-L94 HydrophobicContact CD1-CD2 3.27Å; I41-L94 HydrophobicContact CD1-CG 4.06Å; I41-L99 HydrophobicContact CD1-CD1 4.07Å; I41-L99 HydrophobicContact CG1-CD1 4.04Å
42	L	47.3	Very low	43.9	Very low	6 Å²	6	70.1 Å²	70.1	3%	0.031	37%	0.365	C	S	.	.	H	α-helix	trans	-61.1	-43.9	177.6	-73.8	169.8	0	0	0	110.8	L38 V39 V44 C45 T46 L51 M54 F58 L93	L38-L42 HydrophobicContact CD2-CD1 4.13Å; L38-L42 HydrophobicContact CG-CD1 4.24Å; L38-L42 WeakPolarHBondContact O-CB 3.39Å; L38-L42 VanDerWaalsContact O-CG 3.29Å; L38-L42 WeakPolarHBondContact O-CG 3.5Å; L38-L42 PolarHBondContact O-N 3.4Å; V39-L42 PolarHBondContact O-N 2.65Å; L42-V44 VanDerWaalsContact C-N 3.32Å; L42-V44 PolarHBondContact O-N 3.44Å; L42-C45 CarbonylContact O-C 3.59Å; L42-C45 PolarHBondContact O-N 3.04Å; L42-C45 VanDerWaalsContact O-N 3.11Å; L42-T46 WeakPolarHBondContact O-CB 3.43Å; L42-T46 WeakPolarHBondContact O-CG2 3.32Å; L42-T46 PolarHBondContact O-N 3.32Å; L42-T46 PolarHBondContact O-OG1 3.5Å; L42-L51 HydrophobicContact CD2-CD1 4.44Å; L42-L51 HydrophobicContact CD2-CD2 3.98Å; L42-M54 HydrophobicContact CD1-SD 4.1Å; L42-M54 HydrophobicContact CD2-CE 4.44Å; L42-M54 HydrophobicContact CD2-SD 3.42Å; L42-M54 WeakPolarHBondContact CD2-SD 3.25Å; L42-M54 HydrophobicContact CG-SD 4.43Å; L42-F58 HydrophobicContact CD1-CD2 4.13Å; L42-F58 HydrophobicContact CD1-CE1 4.28Å; L42-F58 HydrophobicContact CD1-CE2 3.35Å; L42-F58 HydrophobicContact CD1-CZ 3.43Å; L42-F58 VanDerWaalsContact CD1-CZ 3.43Å; L42-L93 HydrophobicContact CD2-CD1 3.61Å
43	L	44.8	Very low	43.4	Very low	101 Å²	101	69.7 Å²	69.7	53%	0.529	38%	0.376	S	S	.	.	H	α-helix	trans	-58.5	-44.5	175.8	-156	94.2	0	0	0	111.2	V39 K40 I41 C45 T46 Y55	V39-L43 VanDerWaalsContact O-CB 3.29Å; V39-L43 WeakPolarHBondContact O-CB 3.38Å; V39-L43 PolarHBondContact O-N 3.11Å; K40-L43 PolarHBondContact O-N 3.06Å; I41-L43 VanDerWaalsContact C-N 3.34Å; I41-L43 PolarHBondContact O-N 2.8Å; L43-C45 VanDerWaalsContact C-N 3.34Å; L43-C45 PolarHBondContact O-N 2.68Å; L43-T46 WeakPolarHBondContact CA-OG1 3.27Å; L43-T46 PolarHBondContact O-OG1 2.6Å; L43-Y55 WeakPolarHBondContact CD1-OH 3.04Å
44	V	39.8	Very low	42.9	Very low	104 Å²	104	64.4 Å²	64.4	63%	0.63	35%	0.35	S	S	*	.	H	α-helix	trans	-64.5	-40.9	175.2	172.1	0	0	0	0	111	K40 I41 L42 S47	K40-V44 VanDerWaalsContact O-CG2 3.27Å; K40-V44 WeakPolarHBondContact O-CG2 3.29Å; K40-V44 PolarHBondContact O-N 3.19Å; I41-V44 PolarHBondContact O-N 2.92Å; L42-V44 VanDerWaalsContact C-N 3.32Å; L42-V44 PolarHBondContact O-N 3.44Å; V44-S47 PolarHBondContact O-OG 3.39Å
45	C	36.1	Very low	42.3	Very low	22 Å²	22	68.6 Å²	68.6	15%	0.149	37%	0.366	C	S	.	.	H	α-helix	trans	-81.3	-28.5	-173.2	-64.1	0	0	0	0	113.6	I41 L42 L43 S47 R48 L51 L93	I41-C45 VanDerWaalsContact O-CB 3.27Å; I41-C45 WeakPolarHBondContact O-CB 3.32Å; I41-C45 PolarHBondContact O-N 3.12Å; I41-C45 PolarHBondContact O-SG 2.81Å; L42-C45 CarbonylContact O-C 3.59Å; L42-C45 PolarHBondContact O-N 3.04Å; L42-C45 VanDerWaalsContact O-N 3.11Å; L43-C45 VanDerWaalsContact C-N 3.34Å; L43-C45 PolarHBondContact O-N 2.68Å; C45-S47 VanDerWaalsContact C-N 3.26Å; C45-S47 PolarHBondContact O-N 2.61Å; C45-R48 WeakPolarHBondContact O-CA 3.42Å; C45-R48 WeakPolarHBondContact O-CB 3.44Å; C45-R48 PolarHBondContact O-N 3.48Å; C45-L51 HydrophobicContact CB-CD1 3.44Å; C45-L51 VanDerWaalsContact CB-CD1 3.44Å; C45-L93 HydrophobicContact CB-CD1 3.76Å; C45-L93 HydrophobicContact CB-CD2 3.56Å; C45-L93 HydrophobicContact CB-CG 4.17Å; C45-L93 WeakPolarHBondContact SG-CD2 3.13Å
46	T	35.5	Very low	41.3	Very low	23 Å²	23	77.2 Å²	77.2	14%	0.141	40%	0.404	C	S	.	.	H	α-helix	trans	-74.6	-14.7	178.7	48.9	0	0	0	0	113.5	L42 L43 R48 L51 Y55	L42-T46 WeakPolarHBondContact O-CB 3.43Å; L42-T46 WeakPolarHBondContact O-CG2 3.32Å; L42-T46 PolarHBondContact O-N 3.32Å; L42-T46 PolarHBondContact O-OG1 3.5Å; L43-T46 WeakPolarHBondContact CA-OG1 3.27Å; L43-T46 PolarHBondContact O-OG1 2.6Å; T46-R48 CarbonylContact O-C 3.58Å; T46-R48 PolarHBondContact O-N 2.79Å; T46-R48 VanDerWaalsContact O-N 3.07Å; T46-L51 HydrophobicContact CG2-CB 3.24Å; T46-L51 HydrophobicContact CG2-CD1 3.97Å; T46-L51 HydrophobicContact CG2-CG 4.21Å; T46-Y55 HydrophobicContact CG2-CD2 3.3Å; T46-Y55 HydrophobicContact CG2-CE2 3.17Å; T46-Y55 WeakPolarHBondContact OG1-CE2 3.32Å; T46-Y55 PolarHBondContact OG1-OH 2.91Å; T46-Y55 VanDerWaalsContact OG1-OH 3.09Å
47	S	40	Very low	40.7	Very low	97 Å²	97	79.9 Å²	79.9	68%	0.678	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-17.7	159.3	71.9	0	0	0	0	112.4	V44 C45	V44-S47 PolarHBondContact O-OG 3.39Å; C45-S47 VanDerWaalsContact C-N 3.26Å; C45-S47 PolarHBondContact O-N 2.61Å
48	R	36.9	Very low	40.4	Very low	178 Å²	178	80 Å²	80	67%	0.672	41%	0.408	S	S	*	.	S	Bend	trans	-104.1	117.5	166.8	-59.5	-174.7	176.4	-171.7	-1.4	108.4	C45 T46 S50	C45-R48 WeakPolarHBondContact O-CA 3.42Å; C45-R48 WeakPolarHBondContact O-CB 3.44Å; C45-R48 PolarHBondContact O-N 3.48Å; T46-R48 CarbonylContact O-C 3.58Å; T46-R48 PolarHBondContact O-N 2.79Å; T46-R48 VanDerWaalsContact O-N 3.07Å; R48-S50 PolarHBondContact O-N 2.92Å
49	E	37.9	Very low	39.8	Very low	187 Å²	187	85 Å²	85	87%	0.874	44%	0.435	S	S	*	.	G	3₁₀ helix	trans	-45.3	-10.7	-164.8	-64.9	172.8	144.5	0	0	118.8	L51	E49-L51 PolarHBondContact O-N 2.96Å
50	S	36.2	Very low	39.4	Very low	112 Å²	112	86 Å²	86	78%	0.783	44%	0.443	S	S	*	.	G	3₁₀ helix	trans	-87.2	7.4	-169.8	95.9	0	0	0	0	116	R48	R48-S50 PolarHBondContact O-N 2.92Å
51	L	37.5	Very low	39.3	Very low	17 Å²	17	78.8 Å²	78.8	9%	0.089	41%	0.411	C	S	.	.	G	3₁₀ helix	trans	-116.7	9.2	-176.1	-82.2	158.2	0	0	0	114.2	L42 C45 T46 E49 V53 M54 Y55 L93	L42-L51 HydrophobicContact CD2-CD1 4.44Å; L42-L51 HydrophobicContact CD2-CD2 3.98Å; C45-L51 HydrophobicContact CB-CD1 3.44Å; C45-L51 VanDerWaalsContact CB-CD1 3.44Å; T46-L51 HydrophobicContact CG2-CB 3.24Å; T46-L51 HydrophobicContact CG2-CD1 3.97Å; T46-L51 HydrophobicContact CG2-CG 4.21Å; E49-L51 PolarHBondContact O-N 2.96Å; L51-V53 PolarHBondContact O-N 3.14Å; L51-M54 HydrophobicContact CD2-CE 3.81Å; L51-M54 HydrophobicContact CD2-CG 4.13Å; L51-M54 HydrophobicContact CD2-SD 3.96Å; L51-M54 PolarHBondContact O-N 3.42Å; L51-Y55 PolarHBondContact O-N 3.21Å; L51-L93 HydrophobicContact CD1-CD1 3.63Å; L51-L93 HydrophobicContact CD1-CD2 4.13Å; L51-L93 HydrophobicContact CD1-CG 4.44Å; L51-L93 HydrophobicContact CD2-CD1 4.11Å
52	S	35.4	Very low	39.2	Very low	78 Å²	78	83.7 Å²	83.7	55%	0.545	43%	0.432	S	S	.	.	H	α-helix	trans	-52.3	-29.6	178.6	53.1	0	0	0	0	113.8	M54 Y55	S52-M54 VanDerWaalsContact C-N 3.27Å; S52-M54 PolarHBondContact O-N 3.04Å; S52-Y55 PolarHBondContact O-N 2.84Å
53	V	39.4	Very low	39	Very low	123 Å²	123	88.3 Å²	88.3	75%	0.745	46%	0.457	S	S	*	.	H	α-helix	trans	-65	-29.8	176.1	-176.4	0	0	0	0	112.5	L51	L51-V53 PolarHBondContact O-N 3.14Å
54	M	39.2	Very low	38.8	Very low	35 Å²	35	85.2 Å²	85.2	17%	0.172	44%	0.439	C	S	.	.	H	α-helix	trans	-78.4	-38	174.8	-69.2	-156.1	-161.4	0	0	111.9	L42 L51 S52 F56 R57 F58 A86	L42-M54 HydrophobicContact CD1-SD 4.1Å; L42-M54 HydrophobicContact CD2-CE 4.44Å; L42-M54 HydrophobicContact CD2-SD 3.42Å; L42-M54 WeakPolarHBondContact CD2-SD 3.25Å; L42-M54 HydrophobicContact CG-SD 4.43Å; L51-M54 HydrophobicContact CD2-CE 3.81Å; L51-M54 HydrophobicContact CD2-CG 4.13Å; L51-M54 HydrophobicContact CD2-SD 3.96Å; L51-M54 PolarHBondContact O-N 3.42Å; S52-M54 VanDerWaalsContact C-N 3.27Å; S52-M54 PolarHBondContact O-N 3.04Å; M54-F56 VanDerWaalsContact C-N 3.34Å; M54-F56 PolarHBondContact O-N 3.32Å; M54-R57 PolarHBondContact O-N 3.37Å; M54-R57 VanDerWaalsContact O-N 3.1Å; M54-F58 HydrophobicContact CB-CD2 4.36Å; M54-F58 HydrophobicContact CB-CE2 4.11Å; M54-F58 WeakPolarHBondContact O-CD2 3.41Å; M54-A86 HydrophobicContact CE-CB 4.37Å
55	Y	36.6	Very low	38.9	Very low	93 Å²	93	82 Å²	82	37%	0.365	42%	0.418	S	S	.	.	H	α-helix	trans	-53.9	-45.9	-172.6	-115.1	-113.1	0	0	0	113.6	L43 T46 L51 S52 R57 F58	L43-Y55 WeakPolarHBondContact CD1-OH 3.04Å; T46-Y55 HydrophobicContact CG2-CD2 3.3Å; T46-Y55 HydrophobicContact CG2-CE2 3.17Å; T46-Y55 WeakPolarHBondContact OG1-CE2 3.32Å; T46-Y55 PolarHBondContact OG1-OH 2.91Å; T46-Y55 VanDerWaalsContact OG1-OH 3.09Å; L51-Y55 PolarHBondContact O-N 3.21Å; S52-Y55 PolarHBondContact O-N 2.84Å; Y55-R57 PolarHBondContact O-N 2.87Å; Y55-F58 PolarHBondContact O-N 3.45Å
56	F	31.8	Very low	39.3	Very low	183 Å²	183	85.2 Å²	85.2	80%	0.803	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-21.2	-176.8	-110.7	-81.9	0	0	0	114.1	M54	M54-F56 VanDerWaalsContact C-N 3.34Å; M54-F56 PolarHBondContact O-N 3.32Å
57	R	40.6	Very low	39.7	Very low	118 Å²	118	87.4 Å²	87.4	45%	0.445	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-9.6	178.3	-65.1	-170.3	-176.6	178.8	3.9	113.7	M54 Y55 S60	M54-R57 PolarHBondContact O-N 3.37Å; M54-R57 VanDerWaalsContact O-N 3.1Å; Y55-R57 PolarHBondContact O-N 2.87Å; R57-S60 PolarHBondContact O-OG 2.82Å; R57-S60 VanDerWaalsContact O-OG 3.05Å
58	F	39.8	Very low	40	Very low	23 Å²	23	85.6 Å²	85.6	10%	0.101	47%	0.465	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-18.9	-176.9	-79.1	-75.7	0	0	0	114.6	L38 V39 L42 M54 Y55 S60 F61 F62 L77	L38-F58 HydrophobicContact CD2-CZ 4.36Å; V39-F58 HydrophobicContact CG2-CD1 3.76Å; V39-F58 HydrophobicContact CG2-CE1 3.84Å; L42-F58 HydrophobicContact CD1-CD2 4.13Å; L42-F58 HydrophobicContact CD1-CE1 4.28Å; L42-F58 HydrophobicContact CD1-CE2 3.35Å; L42-F58 HydrophobicContact CD1-CZ 3.43Å; L42-F58 VanDerWaalsContact CD1-CZ 3.43Å; M54-F58 HydrophobicContact CB-CD2 4.36Å; M54-F58 HydrophobicContact CB-CE2 4.11Å; M54-F58 WeakPolarHBondContact O-CD2 3.41Å; Y55-F58 PolarHBondContact O-N 3.45Å; F58-S60 PolarHBondContact O-N 3.37Å; F58-F61 HydrophobicContact CB-CB 4.46Å; F58-F61 HydrophobicContact CD1-CB 3.92Å; F58-F61 AromaticContact CD1-CD1 3.85Å; F58-F61 HydrophobicContact CD1-CD1 3.85Å; F58-F61 HydrophobicContact CD1-CG 4.09Å; F58-F61 HydrophobicContact CE1-CD1 4.33Å; F58-F61 CarbonylContact O-C 3.53Å; F58-F61 VanDerWaalsContact O-CA 3.32Å; F58-F61 WeakPolarHBondContact O-CA 3.37Å; F58-F61 WeakPolarHBondContact O-CB 3.21Å; F58-F61 PolarHBondContact O-N 3.12Å; F58-F62 PolarHBondContact O-N 2.93Å; F58-L77 HydrophobicContact CD1-CD2 4.12Å; F58-L77 HydrophobicContact CE1-CD2 3.87Å
59	D	40.7	Very low	40.5	Very low	106 Å²	106	79 Å²	79	57%	0.567	45%	0.449	S	S	*	.	H	α-helix	trans	-58.9	-43.4	174.7	-70.8	-28.2	0	0	0	110.7	F61 F62 D63	D59-F61 PolarHBondContact O-N 3.15Å; D59-F62 PolarHBondContact O-N 3.35Å; D59-D63 PolarHBondContact O-N 2.76Å
60	S	41.3	Very low	40.9	Very low	36 Å²	36	73.5 Å²	73.5	25%	0.252	43%	0.431	S	S	.	.	H	α-helix	trans	-61.9	-29.5	171.5	57.9	0	0	0	0	112.7	R57 F58 D63 F64 V73	R57-S60 PolarHBondContact O-OG 2.82Å; R57-S60 VanDerWaalsContact O-OG 3.05Å; F58-S60 PolarHBondContact O-N 3.37Å; S60-D63 WeakPolarHBondContact O-CB 3.35Å; S60-D63 PolarHBondContact O-N 3.14Å; S60-F64 PolarHBondContact O-N 2.98Å; S60-V73 VanDerWaalsContact C-CG1 3.46Å; S60-V73 WeakPolarHBondContact O-CG1 3.49Å
61	F	44.6	Very low	41.1	Very low	0 Å²	0	71.8 Å²	71.8	0%	0	41%	0.412	C	S	.	.	H	α-helix	trans	-70.7	-34.2	176.3	-176.2	-114.9	0	0	0	113.7	F28 I35 V39 F58 D59 D63 F64 L65 L77	F28-F61 HydrophobicContact CD1-CE2 4.36Å; F28-F61 HydrophobicContact CE1-CE2 4.45Å; I35-F61 HydrophobicContact CB-CE1 4.17Å; I35-F61 HydrophobicContact CB-CZ 3.69Å; I35-F61 HydrophobicContact CD1-CE2 4.35Å; I35-F61 HydrophobicContact CD1-CZ 4.15Å; I35-F61 HydrophobicContact CG2-CD1 4.2Å; I35-F61 HydrophobicContact CG2-CE1 3.27Å; I35-F61 HydrophobicContact CG2-CE2 3.88Å; I35-F61 HydrophobicContact CG2-CZ 3.06Å; V39-F61 HydrophobicContact CG2-CD1 3.75Å; V39-F61 HydrophobicContact CG2-CE1 3.72Å; F58-F61 HydrophobicContact CB-CB 4.46Å; F58-F61 HydrophobicContact CD1-CB 3.92Å; F58-F61 AromaticContact CD1-CD1 3.85Å; F58-F61 HydrophobicContact CD1-CD1 3.85Å; F58-F61 HydrophobicContact CD1-CG 4.09Å; F58-F61 HydrophobicContact CE1-CD1 4.33Å; F58-F61 CarbonylContact O-C 3.53Å; F58-F61 VanDerWaalsContact O-CA 3.32Å; F58-F61 WeakPolarHBondContact O-CA 3.37Å; F58-F61 WeakPolarHBondContact O-CB 3.21Å; F58-F61 PolarHBondContact O-N 3.12Å; D59-F61 PolarHBondContact O-N 3.15Å; F61-D63 VanDerWaalsContact C-N 3.31Å; F61-F64 HydrophobicContact CD2-CB 4.28Å; F61-F64 HydrophobicContact CD2-CD1 4.25Å; F61-F64 HydrophobicContact CE2-CD1 4.01Å; F61-F64 WeakPolarHBondContact O-CA 3.13Å; F61-F64 WeakPolarHBondContact O-CB 3.29Å; F61-F64 PolarHBondContact O-N 3.17Å; F61-F64 VanDerWaalsContact O-N 3.14Å; F61-L65 HydrophobicContact CD1-CD1 3.85Å; F61-L65 HydrophobicContact CD1-CG 4.29Å; F61-L65 HydrophobicContact CE1-CD1 3.25Å; F61-L65 HydrophobicContact CE1-CD2 4.33Å; F61-L65 HydrophobicContact CE1-CG 3.75Å; F61-L65 HydrophobicContact CE2-CD2 4.37Å; F61-L65 HydrophobicContact CE2-CG 4.14Å; F61-L65 HydrophobicContact CZ-CD1 3.67Å; F61-L65 HydrophobicContact CZ-CD2 3.85Å; F61-L65 HydrophobicContact CZ-CG 3.68Å; F61-L65 PolarHBondContact O-N 2.97Å; F61-L77 HydrophobicContact CB-CD1 3.84Å; F61-L77 HydrophobicContact CB-CD2 3.96Å; F61-L77 HydrophobicContact CB-CG 4.4Å; F61-L77 HydrophobicContact CD2-CD1 3.13Å; F61-L77 HydrophobicContact CD2-CD2 3.84Å; F61-L77 HydrophobicContact CD2-CG 4.11Å; F61-L77 HydrophobicContact CE2-CD1 3.95Å; F61-L77 HydrophobicContact CG-CD1 3.84Å; F61-L77 HydrophobicContact CG-CD2 3.92Å
62	F	42.2	Very low	41.5	Very low	116 Å²	116	74.8 Å²	74.8	51%	0.509	43%	0.433	S	S	.	.	H	α-helix	trans	-64.4	-40.8	172.6	-103.1	-82	0	0	0	111	V39 F58 D59 F64 L65 S66	V39-F62 HydrophobicContact CG1-CE2 3.78Å; V39-F62 HydrophobicContact CG1-CZ 4.29Å; F58-F62 PolarHBondContact O-N 2.93Å; D59-F62 PolarHBondContact O-N 3.35Å; F62-F64 VanDerWaalsContact C-N 3.26Å; F62-F64 PolarHBondContact O-N 3.34Å; F62-L65 PolarHBondContact O-N 3.35Å; F62-S66 WeakPolarHBondContact O-CB 3.29Å; F62-S66 PolarHBondContact O-N 3.36Å; F62-S66 PolarHBondContact O-OG 3.41Å
63	D	42.9	Very low	41.7	Very low	102 Å²	102	71.9 Å²	71.9	55%	0.545	41%	0.412	S	S	.	.	H	α-helix	trans	-61.8	-34	170.7	-80.6	-14	0	0	0	112.2	D59 S60 F61 S66 G67 G68 A69	D59-D63 PolarHBondContact O-N 2.76Å; S60-D63 WeakPolarHBondContact O-CB 3.35Å; S60-D63 PolarHBondContact O-N 3.14Å; F61-D63 VanDerWaalsContact C-N 3.31Å; D63-S66 WeakPolarHBondContact CA-OG 3.16Å; D63-S66 PolarHBondContact O-OG 3.4Å; D63-G67 PolarHBondContact O-N 2.72Å; D63-G68 CarbonylContact O-C 3.56Å; D63-G68 VanDerWaalsContact O-CA 3.25Å; D63-G68 WeakPolarHBondContact O-CA 3.5Å; D63-G68 PolarHBondContact O-N 3.29Å; D63-A69 PolarHBondContact O-N 2.93Å
64	F	40.7	Very low	42	Very low	37 Å²	37	66.2 Å²	66.2	16%	0.162	38%	0.377	C	S	.	.	H	α-helix	trans	-63.5	-48.6	171.3	176.5	-86.5	0	0	0	112.3	F28 S60 F61 F62 S66 G67 A69 V73 L74	F28-F64 HydrophobicContact CB-CE1 3.88Å; F28-F64 HydrophobicContact CB-CZ 3.98Å; F28-F64 HydrophobicContact CD1-CE1 4.27Å; F28-F64 HydrophobicContact CD2-CZ 4.38Å; F28-F64 HydrophobicContact CG-CE1 4.03Å; F28-F64 HydrophobicContact CG-CZ 4.1Å; S60-F64 PolarHBondContact O-N 2.98Å; F61-F64 HydrophobicContact CD2-CB 4.28Å; F61-F64 HydrophobicContact CD2-CD1 4.25Å; F61-F64 HydrophobicContact CE2-CD1 4.01Å; F61-F64 WeakPolarHBondContact O-CA 3.13Å; F61-F64 WeakPolarHBondContact O-CB 3.29Å; F61-F64 PolarHBondContact O-N 3.17Å; F61-F64 VanDerWaalsContact O-N 3.14Å; F62-F64 VanDerWaalsContact C-N 3.26Å; F62-F64 PolarHBondContact O-N 3.34Å; F64-S66 VanDerWaalsContact C-N 3.34Å; F64-S66 PolarHBondContact O-N 3.14Å; F64-G67 PolarHBondContact O-N 3.47Å; F64-A69 HydrophobicContact CB-CB 3.58Å; F64-A69 HydrophobicContact CD2-CB 2.94Å; F64-A69 HydrophobicContact CE2-CB 3.69Å; F64-A69 HydrophobicContact CG-CB 3.6Å; F64-V73 HydrophobicContact CB-CG1 4.04Å; F64-L74 HydrophobicContact CD1-CD2 4.16Å; F64-L74 HydrophobicContact CD2-CD1 4.24Å; F64-L74 HydrophobicContact CD2-CD2 3.15Å; F64-L74 HydrophobicContact CD2-CG 3.64Å; F64-L74 HydrophobicContact CE1-CD2 3.99Å; F64-L74 HydrophobicContact CE2-CD1 3.64Å; F64-L74 HydrophobicContact CE2-CD2 3.09Å; F64-L74 HydrophobicContact CE2-CG 3.54Å; F64-L74 HydrophobicContact CG-CD2 3.83Å; F64-L74 HydrophobicContact CZ-CD1 4.34Å; F64-L74 HydrophobicContact CZ-CD2 3.52Å; F64-L74 HydrophobicContact CZ-CG 4.35Å
65	L	42.7	Very low	42.5	Very low	35 Å²	35	67.9 Å²	67.9	18%	0.183	39%	0.387	C	S	.	.	H	α-helix	trans	-69.1	-30.2	-177.2	-75	176.2	0	0	0	113.7	R32 L36 F61 F62 G67	R32-L65 HydrophobicContact CG-CD2 4.09Å; L36-L65 HydrophobicContact CD2-CD1 3.53Å; L36-L65 HydrophobicContact CG-CD1 4.36Å; F61-L65 HydrophobicContact CD1-CD1 3.85Å; F61-L65 HydrophobicContact CD1-CG 4.29Å; F61-L65 HydrophobicContact CE1-CD1 3.25Å; F61-L65 HydrophobicContact CE1-CD2 4.33Å; F61-L65 HydrophobicContact CE1-CG 3.75Å; F61-L65 HydrophobicContact CE2-CD2 4.37Å; F61-L65 HydrophobicContact CE2-CG 4.14Å; F61-L65 HydrophobicContact CZ-CD1 3.67Å; F61-L65 HydrophobicContact CZ-CD2 3.85Å; F61-L65 HydrophobicContact CZ-CG 3.68Å; F61-L65 PolarHBondContact O-N 2.97Å; F62-L65 PolarHBondContact O-N 3.35Å; L65-G67 PolarHBondContact O-N 3.21Å
66	S	44.2	Very low	43.1	Very low	91 Å²	91	66.1 Å²	66.1	64%	0.636	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-1.3	172.9	64.7	0	0	0	0	112.7	F62 D63 F64	F62-S66 WeakPolarHBondContact O-CB 3.29Å; F62-S66 PolarHBondContact O-N 3.36Å; F62-S66 PolarHBondContact O-OG 3.41Å; D63-S66 WeakPolarHBondContact CA-OG 3.16Å; D63-S66 PolarHBondContact O-OG 3.4Å; F64-S66 VanDerWaalsContact C-N 3.34Å; F64-S66 PolarHBondContact O-N 3.14Å
67	G	43.1	Very low	43.8	Very low	68 Å²	68	57.4 Å²	57.4	70%	0.701	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.8	5	178.5	0	0	0	0	0	114.1	D63 F64 L65 A69	D63-G67 PolarHBondContact O-N 2.72Å; F64-G67 PolarHBondContact O-N 3.47Å; L65-G67 PolarHBondContact O-N 3.21Å; G67-A69 VanDerWaalsContact C-N 3.27Å; G67-A69 PolarHBondContact O-N 3.44Å
68	G	46.2	Very low	44.3	Very low	60 Å²	60	53.4 Å²	53.4	62%	0.619	34%	0.336	S	S	*	.			trans	-81.2	5.1	179	0	0	0	0	0	115	D63 S70	D63-G68 CarbonylContact O-C 3.56Å; D63-G68 VanDerWaalsContact O-CA 3.25Å; D63-G68 WeakPolarHBondContact O-CA 3.5Å; D63-G68 PolarHBondContact O-N 3.29Å; G68-S70 PolarHBondContact O-N 2.85Å
69	A	47.9	Very low	44.8	Very low	40 Å²	40	58 Å²	58	33%	0.331	35%	0.354	S	S	.	.			trans	-72.8	129.5	-160.9	0	0	0	0	0	117	D63 F64 G67	D63-A69 PolarHBondContact O-N 2.93Å; F64-A69 HydrophobicContact CB-CB 3.58Å; F64-A69 HydrophobicContact CD2-CB 2.94Å; F64-A69 HydrophobicContact CE2-CB 3.69Å; F64-A69 HydrophobicContact CG-CB 3.6Å; G67-A69 VanDerWaalsContact C-N 3.27Å; G67-A69 PolarHBondContact O-N 3.44Å
70	S	45.5	Very low	45	Very low	70 Å²	70	53.8 Å²	53.8	49%	0.49	33%	0.334	S	S	.	.			trans	-84.1	142.4	155.9	63.8	0	0	0	0	110.4	G68 P72 V73	G68-S70 PolarHBondContact O-N 2.85Å; S70-P72 VanDerWaalsContact C-N 3.28Å; S70-P72 WeakPolarHBondContact O-CD 3.13Å; S70-P72 VanDerWaalsContact O-N 3.12Å; S70-V73 WeakPolarHBondContact O-CB 3.47Å; S70-V73 PolarHBondContact O-N 3.23Å; S70-V73 VanDerWaalsContact O-N 3.11Å
71	L	41.6	Very low	45.5	Very low	76 Å²	76	52.4 Å²	52.4	40%	0.398	32%	0.323	S	S	.	.	H	α-helix	trans	-39.6	-41.4	173.6	-91.5	148.3	0	0	0	116.1	L21 V73 L74 D75	L21-L71 HydrophobicContact CD1-CD1 4.42Å; L21-L71 HydrophobicContact CD2-CD1 3.97Å; L21-L71 HydrophobicContact CD2-CD2 3.49Å; L21-L71 VanDerWaalsContact CD2-CD2 3.49Å; L21-L71 HydrophobicContact CD2-CG 3.7Å; L21-L71 HydrophobicContact CG-CD1 4.43Å; L21-L71 HydrophobicContact CG-CD2 4.18Å; L71-V73 PolarHBondContact O-N 3.34Å; L71-V73 VanDerWaalsContact O-N 3.15Å; L71-L74 WeakPolarHBondContact O-CB 3.12Å; L71-L74 PolarHBondContact O-N 3.5Å; L71-D75 PolarHBondContact O-N 2.68Å
72	P	44.3	Very low	45.7	Very low	80 Å²	80	53.4 Å²	53.4	52%	0.519	33%	0.33	S	S	.	.	H	α-helix	trans	-59.8	-27.9	-177.6	-24.8	34.4	0	0	0	114.3	S70 L74 S76	S70-P72 VanDerWaalsContact C-N 3.28Å; S70-P72 WeakPolarHBondContact O-CD 3.13Å; S70-P72 VanDerWaalsContact O-N 3.12Å; P72-L74 VanDerWaalsContact C-N 3.34Å; P72-S76 WeakPolarHBondContact O-CB 3.45Å; P72-S76 PolarHBondContact O-N 3.44Å; P72-S76 VanDerWaalsContact O-N 3.12Å; P72-S76 PolarHBondContact O-OG 2.87Å
73	V	41.2	Very low	46.1	Very low	17 Å²	17	51.7 Å²	51.7	10%	0.103	33%	0.327	C	S	.	.	H	α-helix	trans	-64.8	-43.4	176.3	177	0	0	0	0	110.2	S60 F64 S70 L71 S76 L77	S60-V73 VanDerWaalsContact C-CG1 3.46Å; S60-V73 WeakPolarHBondContact O-CG1 3.49Å; F64-V73 HydrophobicContact CB-CG1 4.04Å; S70-V73 WeakPolarHBondContact O-CB 3.47Å; S70-V73 PolarHBondContact O-N 3.23Å; S70-V73 VanDerWaalsContact O-N 3.11Å; L71-V73 PolarHBondContact O-N 3.34Å; L71-V73 VanDerWaalsContact O-N 3.15Å; V73-S76 PolarHBondContact O-N 2.56Å; V73-L77 HydrophobicContact CG1-CD1 3.8Å; V73-L77 WeakPolarHBondContact O-CD1 3.37Å; V73-L77 WeakPolarHBondContact O-CG 2.89Å; V73-L77 PolarHBondContact O-N 2.75Å
74	L	44.4	Very low	46.4	Very low	5 Å²	5	50 Å²	50	3%	0.026	33%	0.327	C	S	.	.	H	α-helix	trans	-64.6	-44.6	-180	-69.4	-177.1	0	0	0	112.4	R24 F28 F64 L71 P72 S76 L77 E78	R24-L74 HydrophobicContact CB-CD1 4.31Å; F28-L74 HydrophobicContact CD1-CD2 4.11Å; F28-L74 HydrophobicContact CD2-CD1 4.2Å; F28-L74 HydrophobicContact CD2-CD2 3.35Å; F28-L74 HydrophobicContact CD2-CG 4.29Å; F28-L74 HydrophobicContact CE1-CD2 3.93Å; F28-L74 HydrophobicContact CE2-CB 4.03Å; F28-L74 HydrophobicContact CE2-CD1 4.19Å; F28-L74 HydrophobicContact CE2-CD2 3.18Å; F28-L74 HydrophobicContact CE2-CG 4Å; F28-L74 HydrophobicContact CG-CD2 3.88Å; F28-L74 HydrophobicContact CZ-CB 4.4Å; F28-L74 HydrophobicContact CZ-CD2 3.5Å; F28-L74 VanDerWaalsContact CZ-CD2 3.5Å; F64-L74 HydrophobicContact CD1-CD2 4.16Å; F64-L74 HydrophobicContact CD2-CD1 4.24Å; F64-L74 HydrophobicContact CD2-CD2 3.15Å; F64-L74 HydrophobicContact CD2-CG 3.64Å; F64-L74 HydrophobicContact CE1-CD2 3.99Å; F64-L74 HydrophobicContact CE2-CD1 3.64Å; F64-L74 HydrophobicContact CE2-CD2 3.09Å; F64-L74 HydrophobicContact CE2-CG 3.54Å; F64-L74 HydrophobicContact CG-CD2 3.83Å; F64-L74 HydrophobicContact CZ-CD1 4.34Å; F64-L74 HydrophobicContact CZ-CD2 3.52Å; F64-L74 HydrophobicContact CZ-CG 4.35Å; L71-L74 WeakPolarHBondContact O-CB 3.12Å; L71-L74 PolarHBondContact O-N 3.5Å; P72-L74 VanDerWaalsContact C-N 3.34Å; L74-S76 VanDerWaalsContact C-N 3.29Å; L74-S76 PolarHBondContact O-N 3.21Å; L74-L77 PolarHBondContact O-N 3.16Å; L74-E78 PolarHBondContact O-N 2.9Å
75	D	50	Low	46.8	Very low	69 Å²	69	51.5 Å²	51.5	37%	0.369	35%	0.346	S	S	.	.	H	α-helix	trans	-59.9	-43.4	176.6	-75.1	-49.3	0	0	0	111	R24 L71 L77 E78 Y79	R24-D75 IonicContact CZ-OD1 3.33Å; R24-D75 VanDerWaalsContact NH1-CG 3.29Å; R24-D75 IonicContact NH1-OD1 3.12Å; R24-D75 PolarHBondContact NH1-OD1 2.84Å; R24-D75 IonicContact NH1-OD2 2.64Å; R24-D75 PolarHBondContact NH1-OD2 3.24Å; R24-D75 IonicContact NH2-OD1 2.76Å; R24-D75 PolarHBondContact NH2-OD1 3.11Å; L71-D75 PolarHBondContact O-N 2.68Å; D75-L77 VanDerWaalsContact C-N 3.28Å; D75-L77 PolarHBondContact O-N 3Å; D75-E78 PolarHBondContact O-N 3.5Å; D75-Y79 VanDerWaalsContact O-CB 3.3Å; D75-Y79 WeakPolarHBondContact O-CB 3.27Å; D75-Y79 PolarHBondContact O-N 3.07Å
76	S	48.6	Very low	47.2	Very low	56 Å²	56	50.7 Å²	50.7	39%	0.392	35%	0.345	S	S	.	.	H	α-helix	trans	-63	-36.2	179.3	-60.2	0	0	0	0	112.3	P72 V73 L74 A80	P72-S76 WeakPolarHBondContact O-CB 3.45Å; P72-S76 PolarHBondContact O-N 3.44Å; P72-S76 VanDerWaalsContact O-N 3.12Å; P72-S76 PolarHBondContact O-OG 2.87Å; V73-S76 PolarHBondContact O-N 2.56Å; L74-S76 VanDerWaalsContact C-N 3.29Å; L74-S76 PolarHBondContact O-N 3.21Å; S76-A80 VanDerWaalsContact O-CB 3.25Å; S76-A80 WeakPolarHBondContact O-CB 3.41Å; S76-A80 PolarHBondContact O-N 2.74Å
77	L	47	Very low	47.6	Very low	1 Å²	1	47 Å²	47	1%	0.005	32%	0.317	C	S	.	.	H	α-helix	trans	-74.9	-45.3	176.7	-80.2	152	0	0	0	113.1	F28 F58 F61 V73 L74 D75 Y79 A80 L81	F28-L77 HydrophobicContact CE1-CB 4.47Å; F28-L77 HydrophobicContact CZ-CB 4.41Å; F58-L77 HydrophobicContact CD1-CD2 4.12Å; F58-L77 HydrophobicContact CE1-CD2 3.87Å; F61-L77 HydrophobicContact CB-CD1 3.84Å; F61-L77 HydrophobicContact CB-CD2 3.96Å; F61-L77 HydrophobicContact CB-CG 4.4Å; F61-L77 HydrophobicContact CD2-CD1 3.13Å; F61-L77 HydrophobicContact CD2-CD2 3.84Å; F61-L77 HydrophobicContact CD2-CG 4.11Å; F61-L77 HydrophobicContact CE2-CD1 3.95Å; F61-L77 HydrophobicContact CG-CD1 3.84Å; F61-L77 HydrophobicContact CG-CD2 3.92Å; V73-L77 HydrophobicContact CG1-CD1 3.8Å; V73-L77 WeakPolarHBondContact O-CD1 3.37Å; V73-L77 WeakPolarHBondContact O-CG 2.89Å; V73-L77 PolarHBondContact O-N 2.75Å; L74-L77 PolarHBondContact O-N 3.16Å; D75-L77 VanDerWaalsContact C-N 3.28Å; D75-L77 PolarHBondContact O-N 3Å; L77-Y79 PolarHBondContact O-N 3.42Å; L77-A80 PolarHBondContact O-N 3.33Å; L77-L81 WeakPolarHBondContact O-CB 3.49Å; L77-L81 VanDerWaalsContact O-CG 3.29Å; L77-L81 WeakPolarHBondContact O-CG 2.97Å; L77-L81 PolarHBondContact O-N 3.42Å
78	E	50.3	Low	48	Very low	33 Å²	33	47.3 Å²	47.3	15%	0.154	30%	0.303	C	S	.	.	H	α-helix	trans	-57	-44.3	175.1	-173.2	176.7	-170.9	0	0	109.4	L74 D75 L81 S82 L114	L74-E78 PolarHBondContact O-N 2.9Å; D75-E78 PolarHBondContact O-N 3.5Å; E78-L81 PolarHBondContact O-N 3.34Å; E78-S82 WeakPolarHBondContact O-CB 3.39Å; E78-S82 PolarHBondContact O-N 2.64Å; E78-S82 PolarHBondContact O-OG 2.93Å; E78-L114 HydrophobicContact CG-CD2 4.21Å
79	Y	50.3	Low	48.2	Very low	120 Å²	120	45.4 Å²	45.4	47%	0.471	28%	0.283	S	S	.	.	H	α-helix	trans	-63.9	-47.1	175.9	-158.8	-84.6	0	0	0	112.4	D75 L77 L81 S82 D83 R122	D75-Y79 VanDerWaalsContact O-CB 3.3Å; D75-Y79 WeakPolarHBondContact O-CB 3.27Å; D75-Y79 PolarHBondContact O-N 3.07Å; L77-Y79 PolarHBondContact O-N 3.42Å; Y79-L81 VanDerWaalsContact C-N 3.27Å; Y79-L81 PolarHBondContact O-N 3.37Å; Y79-S82 WeakPolarHBondContact CA-OG 3.41Å; Y79-S82 PolarHBondContact O-N 3.45Å; Y79-S82 VanDerWaalsContact O-N 3.14Å; Y79-S82 PolarHBondContact O-OG 2.94Å; Y79-D83 PolarHBondContact O-N 2.86Å; Y79-R122 VanDerWaalsContact CZ-NH2 3.31Å; Y79-R122 PolarHBondContact OH-NH2 2.8Å
80	A	46.6	Very low	48.5	Very low	17 Å²	17	43.8 Å²	43.8	14%	0.14	27%	0.269	C	S	.	.	H	α-helix	trans	-60	-37	177.5	0	0	0	0	0	112.4	S76 L77 A86	S76-A80 VanDerWaalsContact O-CB 3.25Å; S76-A80 WeakPolarHBondContact O-CB 3.41Å; S76-A80 PolarHBondContact O-N 2.74Å; L77-A80 PolarHBondContact O-N 3.33Å; A80-A86 WeakPolarHBondContact O-CB 3.41Å
81	L	50.5	Low	48.9	Very low	7 Å²	7	43 Å²	43	4%	0.037	26%	0.259	C	S	.	.	H	α-helix	trans	-81.3	-16.3	178.4	-66.7	172	0	0	0	113.4	L38 L77 E78 Y79 I87 I90 L114	L38-L81 HydrophobicContact CD2-CD2 3.71Å; L77-L81 WeakPolarHBondContact O-CB 3.49Å; L77-L81 VanDerWaalsContact O-CG 3.29Å; L77-L81 WeakPolarHBondContact O-CG 2.97Å; L77-L81 PolarHBondContact O-N 3.42Å; E78-L81 PolarHBondContact O-N 3.34Å; Y79-L81 VanDerWaalsContact C-N 3.27Å; Y79-L81 PolarHBondContact O-N 3.37Å; L81-I87 WeakPolarHBondContact O-CD1 3.42Å; L81-I87 VanDerWaalsContact O-CG1 3.27Å; L81-I87 WeakPolarHBondContact O-CG1 3.22Å; L81-I90 HydrophobicContact CD2-CD1 3.95Å; L81-L114 HydrophobicContact CB-CD1 4.01Å; L81-L114 HydrophobicContact CD1-CD1 4.49Å
82	S	48.8	Very low	49.5	Very low	21 Å²	21	45.2 Å²	45.2	15%	0.147	27%	0.266	C	S	.	.	H	α-helix	trans	-84.2	-16.7	176.1	73.1	0	0	0	0	113.9	E78 Y79 A84	E78-S82 WeakPolarHBondContact O-CB 3.39Å; E78-S82 PolarHBondContact O-N 2.64Å; E78-S82 PolarHBondContact O-OG 2.93Å; Y79-S82 WeakPolarHBondContact CA-OG 3.41Å; Y79-S82 PolarHBondContact O-N 3.45Å; Y79-S82 VanDerWaalsContact O-N 3.14Å; Y79-S82 PolarHBondContact O-OG 2.94Å; S82-A84 PolarHBondContact O-N 3.29Å
83	D	50.6	Low	49.6	Very low	81 Å²	81	42.2 Å²	42.2	43%	0.433	25%	0.245	S	C	.	.			trans	-70.9	122.8	179.6	-167.7	-25.2	0	0	0	110.2	Y79 A85 A86 I87	Y79-D83 PolarHBondContact O-N 2.86Å; D83-A85 PolarHBondContact O-N 3.1Å; D83-A85 PolarHBondContact OD1-N 2.91Å; D83-A86 HydrophobicContact CB-CB 4.04Å; D83-A86 WeakPolarHBondContact O-CA 3.23Å; D83-A86 WeakPolarHBondContact O-CB 3.3Å; D83-A86 PolarHBondContact O-N 3.46Å; D83-I87 WeakPolarHBondContact O-CG1 3.28Å; D83-I87 PolarHBondContact O-N 3.49Å
84	A	50	Low	50	Low	66 Å²	66	41.5 Å²	41.5	55%	0.545	24%	0.241	S	C	.	.	H	α-helix	trans	-55.6	-33.8	178.5	0	0	0	0	0	112.2	S82 I87 D88	S82-A84 PolarHBondContact O-N 3.29Å; A84-I87 PolarHBondContact O-N 3.24Å; A84-D88 WeakPolarHBondContact O-CB 3.24Å; A84-D88 PolarHBondContact O-N 2.75Å
85	A	48.7	Very low	50.4	Low	69 Å²	69	50.3 Å²	50.3	57%	0.57	27%	0.274	S	S	*	.	H	α-helix	trans	-68.6	-38.7	176.4	0	0	0	0	0	111.9	D83 G89	D83-A85 PolarHBondContact O-N 3.1Å; D83-A85 PolarHBondContact OD1-N 2.91Å; A85-G89 PolarHBondContact O-N 3.3Å
86	A	50.7	Low	50.3	Low	18 Å²	18	56.4 Å²	56.4	15%	0.149	29%	0.291	C	S	.	.	H	α-helix	trans	-67.2	-43.5	174.8	0	0	0	0	0	110.9	M54 A80 D83 G89 I90	M54-A86 HydrophobicContact CE-CB 4.37Å; A80-A86 WeakPolarHBondContact O-CB 3.41Å; D83-A86 HydrophobicContact CB-CB 4.04Å; D83-A86 WeakPolarHBondContact O-CA 3.23Å; D83-A86 WeakPolarHBondContact O-CB 3.3Å; D83-A86 PolarHBondContact O-N 3.46Å; A86-G89 PolarHBondContact O-N 2.79Å; A86-I90 WeakPolarHBondContact O-CB 3.45Å; A86-I90 WeakPolarHBondContact O-CD1 3.33Å; A86-I90 WeakPolarHBondContact O-CG1 3.32Å; A86-I90 PolarHBondContact O-N 3.41Å
87	I	53.4	Low	50.2	Low	13 Å²	13	56.1 Å²	56.1	7%	0.067	29%	0.293	C	S	.	.	H	α-helix	trans	-60.9	-47.6	176	-64.7	166.3	0	0	0	110.9	L81 D83 A84 G89 I90 L91 C111 L115	L81-I87 WeakPolarHBondContact O-CD1 3.42Å; L81-I87 VanDerWaalsContact O-CG1 3.27Å; L81-I87 WeakPolarHBondContact O-CG1 3.22Å; D83-I87 WeakPolarHBondContact O-CG1 3.28Å; D83-I87 PolarHBondContact O-N 3.49Å; A84-I87 PolarHBondContact O-N 3.24Å; I87-G89 VanDerWaalsContact C-N 3.34Å; I87-G89 PolarHBondContact O-N 3.13Å; I87-I90 WeakPolarHBondContact O-CB 3.41Å; I87-I90 PolarHBondContact O-N 2.8Å; I87-L91 HydrophobicContact CG2-CD1 3.98Å; I87-L91 HydrophobicContact CG2-CG 4.35Å; I87-L91 VanDerWaalsContact O-CG 3.32Å; I87-L91 WeakPolarHBondContact O-CG 3.17Å; I87-L91 PolarHBondContact O-N 3.04Å; I87-C111 HydrophobicContact CD1-CB 4.13Å; I87-C111 HydrophobicContact CG1-CB 4.24Å; I87-C111 HydrophobicContact CG2-CB 3.95Å; I87-L115 HydrophobicContact CD1-CD1 3.92Å; I87-L115 HydrophobicContact CD1-CD2 3.77Å; I87-L115 HydrophobicContact CD1-CG 3.65Å
88	D	51.7	Low	50.2	Low	75 Å²	75	58.9 Å²	58.9	40%	0.401	32%	0.321	S	S	.	.	H	α-helix	trans	-63.5	-40.9	178.2	-175.9	58.8	0	0	0	111.6	A84 L91 K92	A84-D88 WeakPolarHBondContact O-CB 3.24Å; A84-D88 PolarHBondContact O-N 2.75Å; D88-L91 PolarHBondContact O-N 2.76Å; D88-K92 WeakPolarHBondContact O-CB 3.27Å; D88-K92 WeakPolarHBondContact O-CG 3.39Å; D88-K92 PolarHBondContact O-N 2.94Å; D88-K92 WeakPolarHBondContact OD2-CE 3.32Å; D88-K92 IonicContact OD2-NZ 2.65Å; D88-K92 PolarHBondContact OD2-NZ 2.98Å
89	G	49.9	Very low	50	Low	20 Å²	20	59.6 Å²	59.6	21%	0.206	33%	0.326	C	S	.	.	H	α-helix	trans	-56.2	-51	171.3	0	0	0	0	0	111.7	A85 A86 I87 L91 K92 L93	A85-G89 PolarHBondContact O-N 3.3Å; A86-G89 PolarHBondContact O-N 2.79Å; I87-G89 VanDerWaalsContact C-N 3.34Å; I87-G89 PolarHBondContact O-N 3.13Å; G89-L91 PolarHBondContact O-N 3.43Å; G89-K92 WeakPolarHBondContact O-CB 3.24Å; G89-K92 PolarHBondContact O-N 3Å; G89-L93 VanDerWaalsContact O-CG 3.3Å; G89-L93 WeakPolarHBondContact O-CG 3.06Å; G89-L93 PolarHBondContact O-N 2.78Å
90	I	53.4	Low	49.9	Very low	5 Å²	5	55.9 Å²	55.9	3%	0.026	31%	0.314	C	S	.	.	H	α-helix	trans	-57.2	-47.8	176.8	-75.1	163.1	0	0	0	111.6	L38 L81 A86 I87 K92 L93 L94	L38-I90 HydrophobicContact CD1-CB 4.19Å; L38-I90 HydrophobicContact CD1-CD1 3.93Å; L38-I90 HydrophobicContact CD1-CG1 3.85Å; L38-I90 HydrophobicContact CD1-CG2 3.35Å; L38-I90 HydrophobicContact CD2-CD1 3.8Å; L38-I90 HydrophobicContact CD2-CG1 4.28Å; L38-I90 HydrophobicContact CG-CD1 4.35Å; L38-I90 HydrophobicContact CG-CG1 4.35Å; L81-I90 HydrophobicContact CD2-CD1 3.95Å; A86-I90 WeakPolarHBondContact O-CB 3.45Å; A86-I90 WeakPolarHBondContact O-CD1 3.33Å; A86-I90 WeakPolarHBondContact O-CG1 3.32Å; A86-I90 PolarHBondContact O-N 3.41Å; I87-I90 WeakPolarHBondContact O-CB 3.41Å; I87-I90 PolarHBondContact O-N 2.8Å; I90-K92 VanDerWaalsContact C-N 3.33Å; I90-K92 PolarHBondContact O-N 3.23Å; I90-L93 PolarHBondContact O-N 2.7Å; I90-L93 VanDerWaalsContact O-N 3.17Å; I90-L94 HydrophobicContact CG2-CD1 3.86Å; I90-L94 HydrophobicContact CG2-CG 4.49Å; I90-L94 WeakPolarHBondContact O-CB 3.31Å; I90-L94 WeakPolarHBondContact O-CG 3.46Å; I90-L94 PolarHBondContact O-N 3.45Å
91	L	55.4	Low	50.1	Low	54 Å²	54	59 Å²	59	28%	0.283	34%	0.34	S	S	.	.	H	α-helix	trans	-63.1	-41.4	179.6	-71.8	172.7	0	0	0	111.1	I87 D88 G89 L93 L94 R95 L100 A107	I87-L91 HydrophobicContact CG2-CD1 3.98Å; I87-L91 HydrophobicContact CG2-CG 4.35Å; I87-L91 VanDerWaalsContact O-CG 3.32Å; I87-L91 WeakPolarHBondContact O-CG 3.17Å; I87-L91 PolarHBondContact O-N 3.04Å; D88-L91 PolarHBondContact O-N 2.76Å; G89-L91 PolarHBondContact O-N 3.43Å; L91-L93 VanDerWaalsContact C-N 3.32Å; L91-L93 PolarHBondContact O-N 2.87Å; L91-L94 PolarHBondContact O-N 3.32Å; L91-R95 WeakPolarHBondContact O-CB 3.31Å; L91-R95 PolarHBondContact O-N 2.8Å; L91-L100 HydrophobicContact CD2-CD1 3.95Å; L91-A107 HydrophobicContact CD2-CB 4.02Å
92	K	53	Low	50	Low	123 Å²	123	65.2 Å²	65.2	54%	0.535	37%	0.368	S	S	.	.	H	α-helix	trans	-61.3	-40.4	173.6	-77.9	169.5	175.5	162.6	0	111.9	D88 G89 I90 R95 R96	D88-K92 WeakPolarHBondContact O-CB 3.27Å; D88-K92 WeakPolarHBondContact O-CG 3.39Å; D88-K92 PolarHBondContact O-N 2.94Å; D88-K92 WeakPolarHBondContact OD2-CE 3.32Å; D88-K92 IonicContact OD2-NZ 2.65Å; D88-K92 PolarHBondContact OD2-NZ 2.98Å; G89-K92 WeakPolarHBondContact O-CB 3.24Å; G89-K92 PolarHBondContact O-N 3Å; I90-K92 VanDerWaalsContact C-N 3.33Å; I90-K92 PolarHBondContact O-N 3.23Å; K92-R95 PolarHBondContact O-N 3.42Å; K92-R96 WeakPolarHBondContact O-CG 3.18Å; K92-R96 PolarHBondContact O-N 2.76Å
93	L	47.9	Very low	49.9	Very low	17 Å²	17	66.8 Å²	66.8	9%	0.089	37%	0.372	C	S	.	.	H	α-helix	trans	-68.5	-46	177.3	-66.8	-178.1	0	0	0	112.3	I41 L42 C45 L51 G89 I90 L91 R95 R96 A97	I41-L93 HydrophobicContact CG2-CB 3.68Å; I41-L93 HydrophobicContact CG2-CD1 4.39Å; L42-L93 HydrophobicContact CD2-CD1 3.61Å; C45-L93 HydrophobicContact CB-CD1 3.76Å; C45-L93 HydrophobicContact CB-CD2 3.56Å; C45-L93 HydrophobicContact CB-CG 4.17Å; C45-L93 WeakPolarHBondContact SG-CD2 3.13Å; L51-L93 HydrophobicContact CD1-CD1 3.63Å; L51-L93 HydrophobicContact CD1-CD2 4.13Å; L51-L93 HydrophobicContact CD1-CG 4.44Å; L51-L93 HydrophobicContact CD2-CD1 4.11Å; G89-L93 VanDerWaalsContact O-CG 3.3Å; G89-L93 WeakPolarHBondContact O-CG 3.06Å; G89-L93 PolarHBondContact O-N 2.78Å; I90-L93 PolarHBondContact O-N 2.7Å; I90-L93 VanDerWaalsContact O-N 3.17Å; L91-L93 VanDerWaalsContact C-N 3.32Å; L91-L93 PolarHBondContact O-N 2.87Å; L93-R95 PolarHBondContact O-N 2.76Å; L93-R96 PolarHBondContact O-N 3.12Å; L93-R96 VanDerWaalsContact O-N 3.08Å; L93-A97 PolarHBondContact O-N 3.22Å
94	L	49.7	Very low	49.7	Very low	2 Å²	2	65.4 Å²	65.4	1%	0.01	37%	0.366	C	S	.	.	H	α-helix	trans	-55.8	-42.1	173.8	-81.5	167.7	0	0	0	111.5	I41 I90 L91 A97 G98 L99 L100 Y103 A107	I41-L94 HydrophobicContact CD1-CD2 3.27Å; I41-L94 HydrophobicContact CD1-CG 4.06Å; I90-L94 HydrophobicContact CG2-CD1 3.86Å; I90-L94 HydrophobicContact CG2-CG 4.49Å; I90-L94 WeakPolarHBondContact O-CB 3.31Å; I90-L94 WeakPolarHBondContact O-CG 3.46Å; I90-L94 PolarHBondContact O-N 3.45Å; L91-L94 PolarHBondContact O-N 3.32Å; L94-A97 PolarHBondContact O-N 3.44Å; L94-G98 PolarHBondContact O-N 3.25Å; L94-L99 HydrophobicContact CD2-CB 4.02Å; L94-L99 PolarHBondContact O-N 2.81Å; L94-L100 HydrophobicContact CB-CB 4.36Å; L94-L100 HydrophobicContact CB-CD1 3.81Å; L94-L100 PolarHBondContact O-N 3.45Å; L94-Y103 HydrophobicContact CD2-CD2 4.28Å; L94-Y103 HydrophobicContact CD2-CG 4.36Å; L94-A107 HydrophobicContact CD1-CB 3.95Å
95	R	52.9	Low	49.5	Very low	190 Å²	190	70 Å²	70	72%	0.717	37%	0.37	S	S	*	.	H	α-helix	trans	-61.9	-45.5	175	-165.1	-180	-134.1	173.1	4	111.8	L91 K92 L93 A97 G98 L100	L91-R95 WeakPolarHBondContact O-CB 3.31Å; L91-R95 PolarHBondContact O-N 2.8Å; K92-R95 PolarHBondContact O-N 3.42Å; L93-R95 PolarHBondContact O-N 2.76Å; R95-A97 VanDerWaalsContact C-N 3.34Å; R95-A97 PolarHBondContact O-N 2.85Å; R95-G98 PolarHBondContact O-N 3.42Å; R95-L100 HydrophobicContact CB-CB 4.4Å; R95-L100 HydrophobicContact CB-CD2 4.19Å; R95-L100 HydrophobicContact CG-CD2 4.18Å
96	R	47.9	Very low	49.2	Very low	196 Å²	196	69.3 Å²	69.3	74%	0.74	36%	0.357	S	S	*	.	H	α-helix	trans	-65.5	-35.2	177.6	-80.7	-176.8	165.4	-174.7	-2.2	113.2	K92 L93 G98	K92-R96 WeakPolarHBondContact O-CG 3.18Å; K92-R96 PolarHBondContact O-N 2.76Å; L93-R96 PolarHBondContact O-N 3.12Å; L93-R96 VanDerWaalsContact O-N 3.08Å; R96-G98 PolarHBondContact O-N 2.75Å
97	A	45.2	Very low	48.9	Very low	51 Å²	51	68.5 Å²	68.5	42%	0.421	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-5.2	176.8	0	0	0	0	0	113.2	L93 L94 R95 L99	L93-A97 PolarHBondContact O-N 3.22Å; L94-A97 PolarHBondContact O-N 3.44Å; R95-A97 VanDerWaalsContact C-N 3.34Å; R95-A97 PolarHBondContact O-N 2.85Å; A97-L99 HydrophobicContact CB-CB 4.19Å; A97-L99 HydrophobicContact CB-CD1 3.89Å; A97-L99 HydrophobicContact CB-CG 3.91Å; A97-L99 PolarHBondContact O-N 3Å
98	G	47.6	Very low	48.4	Very low	58 Å²	58	70.2 Å²	70.2	60%	0.598	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	69	8.8	-171.7	0	0	0	0	0	113.5	L94 R95 R96	L94-G98 PolarHBondContact O-N 3.25Å; R95-G98 PolarHBondContact O-N 3.42Å; R96-G98 PolarHBondContact O-N 2.75Å
99	L	45.1	Very low	48.1	Very low	49 Å²	49	71.9 Å²	71.9	26%	0.257	37%	0.367	S	S	.	.			trans	-95.4	-4.9	-175.4	-66.9	177.7	0	0	0	112.7	I41 L94 A97 A101 Q102 Y103	I41-L99 HydrophobicContact CD1-CD1 4.07Å; I41-L99 HydrophobicContact CG1-CD1 4.04Å; L94-L99 HydrophobicContact CD2-CB 4.02Å; L94-L99 PolarHBondContact O-N 2.81Å; A97-L99 HydrophobicContact CB-CB 4.19Å; A97-L99 HydrophobicContact CB-CD1 3.89Å; A97-L99 HydrophobicContact CB-CG 3.91Å; A97-L99 PolarHBondContact O-N 3Å; L99-A101 VanDerWaalsContact C-N 3.32Å; L99-A101 PolarHBondContact O-N 2.71Å; L99-Q102 PolarHBondContact O-N 2.85Å; L99-Q102 VanDerWaalsContact O-N 3.16Å; L99-Y103 HydrophobicContact CB-CD2 4.04Å; L99-Y103 HydrophobicContact CB-CE2 4.41Å; L99-Y103 HydrophobicContact CD2-CE2 4.39Å; L99-Y103 PolarHBondContact O-N 3.02Å
100	L	49.3	Very low	47.9	Very low	41 Å²	41	72.3 Å²	72.3	22%	0.215	36%	0.364	C	S	.	.	H	α-helix	trans	-51.4	-54.6	-179	-169	71.4	0	0	0	109.6	L91 L94 R95 Q102 Y103 T104	L91-L100 HydrophobicContact CD2-CD1 3.95Å; L94-L100 HydrophobicContact CB-CB 4.36Å; L94-L100 HydrophobicContact CB-CD1 3.81Å; L94-L100 PolarHBondContact O-N 3.45Å; R95-L100 HydrophobicContact CB-CB 4.4Å; R95-L100 HydrophobicContact CB-CD2 4.19Å; R95-L100 HydrophobicContact CG-CD2 4.18Å; L100-Q102 VanDerWaalsContact C-N 3.34Å; L100-Q102 PolarHBondContact O-N 2.83Å; L100-Y103 CarbonylContact O-C 3.55Å; L100-Y103 PolarHBondContact O-N 3.25Å; L100-Y103 VanDerWaalsContact O-N 3.12Å; L100-T104 HydrophobicContact CG-CG2 4.45Å; L100-T104 VanDerWaalsContact O-CA 3.27Å; L100-T104 WeakPolarHBondContact O-CA 3.49Å; L100-T104 WeakPolarHBondContact O-CB 3.19Å; L100-T104 PolarHBondContact O-N 2.87Å; L100-T104 PolarHBondContact O-OG1 3.32Å
101	A	50.5	Low	47.2	Very low	84 Å²	84	72.4 Å²	72.4	69%	0.694	37%	0.365	S	S	*	.	H	α-helix	trans	-51	-49.6	-179.7	0	0	0	0	0	113.2	L99 Y103 T104	L99-A101 VanDerWaalsContact C-N 3.32Å; L99-A101 PolarHBondContact O-N 2.71Å; A101-Y103 VanDerWaalsContact C-N 3.33Å; A101-Y103 PolarHBondContact O-N 3.45Å; A101-T104 WeakPolarHBondContact CA-OG1 3.42Å; A101-T104 PolarHBondContact N-OG1 2.86Å; A101-T104 PolarHBondContact O-N 3.45Å; A101-T104 PolarHBondContact O-OG1 2.83Å; A101-T104 VanDerWaalsContact O-OG1 3.14Å
102	Q	47.9	Very low	46.4	Very low	136 Å²	136	77.8 Å²	77.8	64%	0.636	38%	0.382	S	S	*	.	H	α-helix	trans	-64	-37.9	-177.3	-65.6	-179.4	3.7	0	0	112.8	L99 L100	L99-Q102 PolarHBondContact O-N 2.85Å; L99-Q102 VanDerWaalsContact O-N 3.16Å; L100-Q102 VanDerWaalsContact C-N 3.34Å; L100-Q102 PolarHBondContact O-N 2.83Å
103	Y	46.5	Very low	46	Very low	55 Å²	55	73.5 Å²	73.5	22%	0.216	37%	0.372	C	S	.	.	H	α-helix	trans	-107.2	7.5	-177.8	-65	-87.3	0	0	0	112.6	S37 L94 L99 L100 A101 Y105 L106 A107	S37-Y103 PolarHBondContact OG-OH 3.19Å; S37-Y103 VanDerWaalsContact OG-OH 3.11Å; L94-Y103 HydrophobicContact CD2-CD2 4.28Å; L94-Y103 HydrophobicContact CD2-CG 4.36Å; L99-Y103 HydrophobicContact CB-CD2 4.04Å; L99-Y103 HydrophobicContact CB-CE2 4.41Å; L99-Y103 HydrophobicContact CD2-CE2 4.39Å; L99-Y103 PolarHBondContact O-N 3.02Å; L100-Y103 CarbonylContact O-C 3.55Å; L100-Y103 PolarHBondContact O-N 3.25Å; L100-Y103 VanDerWaalsContact O-N 3.12Å; A101-Y103 VanDerWaalsContact C-N 3.33Å; A101-Y103 PolarHBondContact O-N 3.45Å; Y103-Y105 PolarHBondContact O-N 2.83Å; Y103-L106 CarbonylContact O-C 3.59Å; Y103-L106 PolarHBondContact O-N 2.88Å; Y103-A107 WeakPolarHBondContact O-CA 3.41Å; Y103-A107 WeakPolarHBondContact O-CB 3.41Å; Y103-A107 PolarHBondContact O-N 3.28Å
104	T	46.1	Very low	45.4	Very low	51 Å²	51	72.9 Å²	72.9	31%	0.313	37%	0.369	S	S	.	.	H	α-helix	trans	-63.5	-40.7	-178.6	-29	0	0	0	0	107.9	L100 A101 T108	L100-T104 HydrophobicContact CG-CG2 4.45Å; L100-T104 VanDerWaalsContact O-CA 3.27Å; L100-T104 WeakPolarHBondContact O-CA 3.49Å; L100-T104 WeakPolarHBondContact O-CB 3.19Å; L100-T104 PolarHBondContact O-N 2.87Å; L100-T104 PolarHBondContact O-OG1 3.32Å; A101-T104 WeakPolarHBondContact CA-OG1 3.42Å; A101-T104 PolarHBondContact N-OG1 2.86Å; A101-T104 PolarHBondContact O-N 3.45Å; A101-T104 PolarHBondContact O-OG1 2.83Å; A101-T104 VanDerWaalsContact O-OG1 3.14Å; T104-T108 WeakPolarHBondContact O-CA 3.41Å; T104-T108 WeakPolarHBondContact O-CB 3.34Å; T104-T108 PolarHBondContact O-N 3.02Å; T104-T108 PolarHBondContact O-OG1 2.89Å
105	Y	46	Very low	44.5	Very low	163 Å²	163	75.4 Å²	75.4	64%	0.639	38%	0.382	S	S	*	.	H	α-helix	trans	-59.6	-52.3	176.7	-177.2	-104.7	0	0	0	111	Y103 T108 E109	Y103-Y105 PolarHBondContact O-N 2.83Å; Y105-T108 PolarHBondContact O-N 3.44Å; Y105-E109 HydrophobicContact CD2-CG 4.24Å; Y105-E109 HydrophobicContact CE2-CG 3.85Å; Y105-E109 VanDerWaalsContact O-CB 3.28Å; Y105-E109 WeakPolarHBondContact O-CB 3.23Å; Y105-E109 PolarHBondContact O-N 3.28Å
106	L	43.7	Very low	43.7	Very low	54 Å²	54	75.7 Å²	75.7	28%	0.283	38%	0.383	S	S	.	.	H	α-helix	trans	-65.2	-44.4	177.7	-91	103.8	0	0	0	113.1	F34 Y103 N110	F34-L106 HydrophobicContact CB-CD2 3.64Å; F34-L106 HydrophobicContact CD2-CB 3.79Å; F34-L106 HydrophobicContact CD2-CD2 4.12Å; F34-L106 HydrophobicContact CE2-CB 4.29Å; F34-L106 HydrophobicContact CG-CD2 4.23Å; Y103-L106 CarbonylContact O-C 3.59Å; Y103-L106 PolarHBondContact O-N 2.88Å; L106-N110 WeakPolarHBondContact O-CA 3.46Å; L106-N110 WeakPolarHBondContact O-CB 3.36Å; L106-N110 PolarHBondContact O-N 3.43Å; L106-N110 PolarHBondContact O-ND2 2.9Å; L106-N110 VanDerWaalsContact O-ND2 3.16Å
107	A	43	Very low	43.2	Very low	1 Å²	1	72.2 Å²	72.2	1%	0.008	37%	0.374	C	S	.	.	H	α-helix	trans	-66.8	-38.9	179.8	0	0	0	0	0	110.7	F34 L91 L94 Y103 C111	F34-A107 HydrophobicContact CE2-CB 3.98Å; F34-A107 HydrophobicContact CZ-CB 4.25Å; L91-A107 HydrophobicContact CD2-CB 4.02Å; L94-A107 HydrophobicContact CD1-CB 3.95Å; Y103-A107 WeakPolarHBondContact O-CA 3.41Å; Y103-A107 WeakPolarHBondContact O-CB 3.41Å; Y103-A107 PolarHBondContact O-N 3.28Å; A107-C111 WeakPolarHBondContact O-CA 3.16Å; A107-C111 WeakPolarHBondContact O-CB 3.41Å; A107-C111 PolarHBondContact O-N 3.28Å; A107-C111 PolarHBondContact O-SG 3.32Å
108	T	44	Very low	42.7	Very low	49 Å²	49	70.6 Å²	70.6	30%	0.301	36%	0.362	S	S	.	.	H	α-helix	trans	-78.8	-44.7	-177.6	-41.9	0	0	0	0	111.3	T104 Y105 R112	T104-T108 WeakPolarHBondContact O-CA 3.41Å; T104-T108 WeakPolarHBondContact O-CB 3.34Å; T104-T108 PolarHBondContact O-N 3.02Å; T104-T108 PolarHBondContact O-OG1 2.89Å; Y105-T108 PolarHBondContact O-N 3.44Å; T108-R112 WeakPolarHBondContact O-CB 3.37Å; T108-R112 WeakPolarHBondContact O-CG 3.17Å; T108-R112 PolarHBondContact O-N 2.87Å
109	E	45.9	Very low	41.8	Very low	111 Å²	111	72.9 Å²	72.9	52%	0.519	36%	0.36	S	S	.	.	H	α-helix	trans	-68.1	-47	176.3	-78.8	-103.8	125	0	0	111.3	Y105 R112 G113	Y105-E109 HydrophobicContact CD2-CG 4.24Å; Y105-E109 HydrophobicContact CE2-CG 3.85Å; Y105-E109 VanDerWaalsContact O-CB 3.28Å; Y105-E109 WeakPolarHBondContact O-CB 3.23Å; Y105-E109 PolarHBondContact O-N 3.28Å; E109-R112 PolarHBondContact O-N 3.35Å; E109-G113 PolarHBondContact O-N 2.9Å
110	N	44	Very low	41.1	Very low	29 Å²	29	75.6 Å²	75.6	16%	0.155	38%	0.378	C	S	.	.	H	α-helix	trans	-76.8	-39.1	-176.1	-57.6	-24	0	0	0	111.6	H31 L106 R112 G113 L114	H31-N110 VanDerWaalsContact CD2-CB 3.49Å; H31-N110 WeakPolarHBondContact CD2-CB 3.12Å; H31-N110 PolarHBondContact CD2-ND2 3.37Å; H31-N110 WeakPolarHBondContact NE2-CB 3.18Å; H31-N110 PolarHBondContact NE2-ND2 3.41Å; H31-N110 PolarHBondContact NE2-OD1 3.47Å; L106-N110 WeakPolarHBondContact O-CA 3.46Å; L106-N110 WeakPolarHBondContact O-CB 3.36Å; L106-N110 PolarHBondContact O-N 3.43Å; L106-N110 PolarHBondContact O-ND2 2.9Å; L106-N110 VanDerWaalsContact O-ND2 3.16Å; N110-R112 VanDerWaalsContact C-N 3.34Å; N110-G113 PolarHBondContact O-N 3.02Å; N110-L114 VanDerWaalsContact O-CB 3.23Å; N110-L114 WeakPolarHBondContact O-CB 3.18Å; N110-L114 WeakPolarHBondContact O-CD1 3.34Å; N110-L114 VanDerWaalsContact O-CG 3.24Å; N110-L114 WeakPolarHBondContact O-CG 3.39Å; N110-L114 PolarHBondContact O-N 3.46Å
111	C	39.8	Very low	40.4	Very low	6 Å²	6	79.3 Å²	79.3	4%	0.041	39%	0.392	C	S	.	.	H	α-helix	trans	-69.7	-31.9	172.8	-58.3	0	0	0	0	111.3	I87 A107 L115	I87-C111 HydrophobicContact CD1-CB 4.13Å; I87-C111 HydrophobicContact CG1-CB 4.24Å; I87-C111 HydrophobicContact CG2-CB 3.95Å; A107-C111 WeakPolarHBondContact O-CA 3.16Å; A107-C111 WeakPolarHBondContact O-CB 3.41Å; A107-C111 PolarHBondContact O-N 3.28Å; A107-C111 PolarHBondContact O-SG 3.32Å; C111-L115 VanDerWaalsContact O-CB 3.23Å; C111-L115 WeakPolarHBondContact O-CB 3.22Å; C111-L115 WeakPolarHBondContact O-CD1 3.37Å; C111-L115 WeakPolarHBondContact O-CG 3.21Å; C111-L115 PolarHBondContact O-N 3.42Å
112	R	39	Very low	39.5	Very low	168 Å²	168	82.7 Å²	82.7	63%	0.634	39%	0.387	S	S	*	.	H	α-helix	trans	-68.8	-38.9	170.2	-80.2	177.7	179.3	171.3	1	112.2	T108 E109 N110 L114 L115 R116	T108-R112 WeakPolarHBondContact O-CB 3.37Å; T108-R112 WeakPolarHBondContact O-CG 3.17Å; T108-R112 PolarHBondContact O-N 2.87Å; E109-R112 PolarHBondContact O-N 3.35Å; N110-R112 VanDerWaalsContact C-N 3.34Å; R112-L114 VanDerWaalsContact C-N 3.33Å; R112-L115 PolarHBondContact O-N 3.22Å; R112-R116 WeakPolarHBondContact O-CB 3.36Å; R112-R116 WeakPolarHBondContact O-CG 3.06Å; R112-R116 PolarHBondContact O-N 3.33Å
113	G	43.3	Very low	38.6	Very low	32 Å²	32	83.4 Å²	83.4	33%	0.33	40%	0.395	S	S	.	.	H	α-helix	trans	-62.8	-42	174.8	0	0	0	0	0	111.5	E109 N110 R116 K117	E109-G113 PolarHBondContact O-N 2.9Å; N110-G113 PolarHBondContact O-N 3.02Å; G113-R116 PolarHBondContact O-N 3.37Å; G113-K117 WeakPolarHBondContact O-CB 3.36Å; G113-K117 WeakPolarHBondContact O-CG 3.33Å; G113-K117 PolarHBondContact O-N 3.4Å
114	L	36.2	Very low	38	Very low	4 Å²	4	91 Å²	91	2%	0.021	44%	0.438	C	S	.	.	H	α-helix	trans	-69.1	-40.6	174.2	-78.2	162.8	0	0	0	112.4	F27 E78 L81 N110 R112 K117 G118	F27-L114 HydrophobicContact CE1-CD2 4.21Å; F27-L114 HydrophobicContact CE2-CD2 4.07Å; F27-L114 HydrophobicContact CE2-CG 4.2Å; F27-L114 HydrophobicContact CZ-CD1 4Å; F27-L114 HydrophobicContact CZ-CD2 3.52Å; F27-L114 HydrophobicContact CZ-CG 3.82Å; E78-L114 HydrophobicContact CG-CD2 4.21Å; L81-L114 HydrophobicContact CB-CD1 4.01Å; L81-L114 HydrophobicContact CD1-CD1 4.49Å; N110-L114 VanDerWaalsContact O-CB 3.23Å; N110-L114 WeakPolarHBondContact O-CB 3.18Å; N110-L114 WeakPolarHBondContact O-CD1 3.34Å; N110-L114 VanDerWaalsContact O-CG 3.24Å; N110-L114 WeakPolarHBondContact O-CG 3.39Å; N110-L114 PolarHBondContact O-N 3.46Å; R112-L114 VanDerWaalsContact C-N 3.33Å; L114-K117 PolarHBondContact O-N 3.03Å; L114-G118 WeakPolarHBondContact O-CA 3.44Å; L114-G118 PolarHBondContact O-N 2.88Å
115	L	31.4	Very low	37.6	Very low	56 Å²	56	93.1 Å²	93.1	29%	0.293	44%	0.444	S	S	.	.	H	α-helix	trans	-63.5	-42.7	172.7	-78.5	165.4	0	0	0	110.6	I87 C111 R112 L119	I87-L115 HydrophobicContact CD1-CD1 3.92Å; I87-L115 HydrophobicContact CD1-CD2 3.77Å; I87-L115 HydrophobicContact CD1-CG 3.65Å; C111-L115 VanDerWaalsContact O-CB 3.23Å; C111-L115 WeakPolarHBondContact O-CB 3.22Å; C111-L115 WeakPolarHBondContact O-CD1 3.37Å; C111-L115 WeakPolarHBondContact O-CG 3.21Å; C111-L115 PolarHBondContact O-N 3.42Å; R112-L115 PolarHBondContact O-N 3.22Å; L115-L119 WeakPolarHBondContact O-CB 3.43Å; L115-L119 WeakPolarHBondContact O-CD1 3.45Å; L115-L119 WeakPolarHBondContact O-CG 3.37Å; L115-L119 PolarHBondContact O-N 3.3Å
116	R	35.3	Very low	37.1	Very low	196 Å²	196	89.4 Å²	89.4	74%	0.74	43%	0.434	S	S	*	.	H	α-helix	trans	-64.1	-46.7	175.8	-81.4	-177.1	172.8	177.8	-2	111.5	R112 G113 V120	R112-R116 WeakPolarHBondContact O-CB 3.36Å; R112-R116 WeakPolarHBondContact O-CG 3.06Å; R112-R116 PolarHBondContact O-N 3.33Å; G113-R116 PolarHBondContact O-N 3.37Å; R116-V120 WeakPolarHBondContact O-CB 3.37Å; R116-V120 WeakPolarHBondContact O-CG2 3.34Å; R116-V120 PolarHBondContact O-N 3.21Å
117	K	38.4	Very low	36.7	Very low	123 Å²	123	91.3 Å²	91.3	54%	0.535	44%	0.442	S	S	.	.	H	α-helix	trans	-70.7	-39.1	-180	-74.8	-174.9	175.3	-173.6	0	112.9	G113 L114 K121	G113-K117 WeakPolarHBondContact O-CB 3.36Å; G113-K117 WeakPolarHBondContact O-CG 3.33Å; G113-K117 PolarHBondContact O-N 3.4Å; L114-K117 PolarHBondContact O-N 3.03Å; K117-K121 PolarHBondContact O-N 3.46Å
118	G	32.8	Very low	36.4	Very low	17 Å²	17	96.6 Å²	96.6	18%	0.175	47%	0.468	C	S	.	.	H	α-helix	trans	-71.8	-35.2	178	0	0	0	0	0	113.4	L114	L114-G118 WeakPolarHBondContact O-CA 3.44Å; L114-G118 PolarHBondContact O-N 2.88Å
119	L	29.8	Very low	35.9	Very low	105 Å²	105	99.6 Å²	99.6	55%	0.55	48%	0.478	S	S	.	.	H	α-helix	trans	-72.3	-38.8	172.1	-73.4	165.4	0	0	0	111.6	L115 K121 R122	L115-L119 WeakPolarHBondContact O-CB 3.43Å; L115-L119 WeakPolarHBondContact O-CD1 3.45Å; L115-L119 WeakPolarHBondContact O-CG 3.37Å; L115-L119 PolarHBondContact O-N 3.3Å; L119-K121 PolarHBondContact O-N 3.02Å; L119-R122 PolarHBondContact O-N 3.1Å
120	V	31.1	Very low	35.2	Very low	107 Å²	107	98.9 Å²	98.9	65%	0.648	48%	0.476	S	S	*	.	H	α-helix	trans	-62.6	-29.3	176.5	171.1	0	0	0	0	111.9	R116 R122	R116-V120 WeakPolarHBondContact O-CB 3.37Å; R116-V120 WeakPolarHBondContact O-CG2 3.34Å; R116-V120 PolarHBondContact O-N 3.21Å; V120-R122 VanDerWaalsContact C-N 3.34Å
121	K	34.2	Very low	34.6	Very low	118 Å²	118	103.9 Å²	103.9	51%	0.513	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-9.3	174.1	-91.1	-174.6	177	175.1	0	114.8	K117 L119	K117-K121 PolarHBondContact O-N 3.46Å; L119-K121 PolarHBondContact O-N 3.02Å
122	R	31.8	Very low	34.2	Very low	156 Å²	156	111.4 Å²	111.4	59%	0.589	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	-6.4	-178.6	-83.9	-170.5	176.1	177.2	1.5	115.2	Y79 L119 V120	Y79-R122 VanDerWaalsContact CZ-NH2 3.31Å; Y79-R122 PolarHBondContact OH-NH2 2.8Å; L119-R122 PolarHBondContact O-N 3.1Å; V120-R122 VanDerWaalsContact C-N 3.34Å
123	D	29.1	Very low	33.8	Very low	150 Å²	150	106.7 Å²	106.7	80%	0.802	53%	0.525	S	S	*	.			trans	-99.5	23.1	179.5	-75.1	-31.3	0	0	0	114.3
124	I	32.3	Very low	32.9	Very low	216 Å²	216	113.5 Å²	113.5	100%	1.108	54%	0.543	S	S	*	.			trans	-131.9	0	170.1	-46.3	177.6	0	0	0	108.9

Retrieved 124 of 124 residues in 37.3 ms (Link to these results)

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