A0A5K4F4N3_SCHMA Loading...

Ovule protein

AlphaFold DB , UniProt , Accession A0A5K4F4N3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 134 aa.

						>A0A5K4F4N3_SCHMA|A0A5K4F4N3
MREMNKSVVWTRKSSHHHHHHNKKTNEVLIFPYPYMCSDAFQVTPKSKPNKYSCSLFVSSPFVFPLAFMHFYLLVYQSVNLTLSRKCLPYVDIDLVFLNSWLLVQLQPTTFVYCQHILTFSHFYFICNSPYGIQ
					

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	40.1	Very low	44.9	Very low	237 Å²	237	168.1 Å²	168.1	100%	1.167	83%	0.831	S	S	*	*				0	134.7	0	-80.9	178.6	172.7	0	0	108.3
2	R	46.6	Very low	44.7	Very low	218 Å²	218	173.8 Å²	173.8	82%	0.823	84%	0.836	S	S	*	*			trans	30.8	137.1	146.7	-72.2	175	-170.9	178.6	5.8	118.3
3	E	43.3	Very low	44.9	Very low	148 Å²	148	177.1 Å²	177.1	69%	0.692	84%	0.844	S	S	*	*			cis	-174.1	130.1	19.9	-107.1	154.2	-164.3	0	0	105.3
4	M	45.6	Very low	45.5	Very low	164 Å²	164	171.6 Å²	171.6	81%	0.808	83%	0.834	S	S	*	*				64.7	116.8	102.8	-74.6	-168.1	179.9	0	0	118.8
5	N	44.1	Very low	45.8	Very low	144 Å²	144	167.8 Å²	167.8	77%	0.77	83%	0.832	S	S	*	*				55.3	115.1	127.7	-66.4	-17.2	0	0	0	121.1
6	K	48.7	Very low	46.1	Very low	219 Å²	219	167.3 Å²	167.3	95%	0.952	83%	0.826	S	S	*	*				-138.4	137.3	127.9	-77.8	-168.1	178.6	172.2	0	111.2
7	S	47.2	Very low	46.4	Very low	104 Å²	104	167.9 Å²	167.9	73%	0.727	83%	0.826	S	S	*	*			trans	-111	163.7	-171.6	55.5	0	0	0	0	111.5
8	V	39.2	Very low	46.3	Very low	112 Å²	112	167.8 Å²	167.8	68%	0.679	82%	0.823	S	S	*	*			trans	75.1	112.6	156.2	-165.1	0	0	0	0	118.9
9	V	46.1	Very low	46.3	Very low	132 Å²	132	168.2 Å²	168.2	80%	0.8	82%	0.822	S	S	*	*			trans	-139.6	121.4	133.7	-177.8	0	0	0	0	108.5
10	W	36.1	Very low	46.5	Very low	235 Å²	235	168.8 Å²	168.8	89%	0.89	82%	0.823	S	S	*	*			trans	-107.4	129.4	165.9	-72.9	55.3	0	0	0	107.8
11	T	56.5	Low	46.8	Very low	136 Å²	136	168.9 Å²	168.9	83%	0.834	82%	0.821	S	S	*	*			trans	-138.3	124.3	162.5	43.7	0	0	0	0	111.6
12	R	43.1	Very low	46.8	Very low	237 Å²	237	164.6 Å²	164.6	89%	0.894	80%	0.803	S	S	*	*			trans	-81.5	137.3	-176.7	-172.7	-178.1	-169.9	178.2	2.2	110.2
13	K	47.6	Very low	46.7	Very low	216 Å²	216	163.3 Å²	163.3	94%	0.939	80%	0.803	S	S	*	*			trans	-132.3	119.7	154.3	-86.1	-170.9	178	179.6	0	110.2
14	S	52.7	Low	46.9	Very low	101 Å²	101	164.7 Å²	164.7	71%	0.706	81%	0.807	S	S	*	*			trans	-89.2	134.4	174.8	47.7	0	0	0	0	110.3
15	S	50.9	Low	46.6	Very low	114 Å²	114	162.2 Å²	162.2	80%	0.797	80%	0.801	S	S	*	*			trans	-133.3	104.3	158.3	55.2	0	0	0	0	108.4	H17	S15-H17 PolarHBondContact O-N 3.46Å
16	H	50.1	Low	46.5	Very low	160 Å²	160	162.7 Å²	162.7	74%	0.741	80%	0.804	S	S	*	*			trans	-64.3	120.6	164.3	-93.7	-92.2	0	0	0	108.9
17	H	50.4	Low	46	Very low	178 Å²	178	160.8 Å²	160.8	82%	0.824	80%	0.799	S	S	*	*			trans	-142.5	111.9	145.4	-97.1	-70	0	0	0	108.2	S15 H19	S15-H17 PolarHBondContact O-N 3.46Å; H17-H19 PolarHBondContact O-N 3.46Å
18	H	44.3	Very low	45.5	Very low	165 Å²	165	161.2 Å²	161.2	76%	0.764	80%	0.796	S	S	*	*			trans	-62.3	124.3	163.4	-78.7	-89	0	0	0	108.4
19	H	48.1	Very low	45.2	Very low	176 Å²	176	162.6 Å²	162.6	82%	0.815	80%	0.799	S	S	*	*			trans	-138.7	117.9	156.2	-110.5	-67.3	0	0	0	110.5	H17	H17-H19 PolarHBondContact O-N 3.46Å
20	H	49	Very low	44.7	Very low	179 Å²	179	162.7 Å²	162.7	83%	0.829	79%	0.794	S	S	*	*			trans	-9.2	121.3	160.7	-104.6	-89.7	0	0	0	116.4	N22	H20-N22 PolarHBondContact O-N 3.04Å
21	H	52.6	Low	44.4	Very low	172 Å²	172	159.7 Å²	159.7	80%	0.796	79%	0.787	S	S	*	*			trans	-56.7	104.9	161.2	-110.7	-83.7	0	0	0	109.5
22	N	41.4	Very low	43.4	Very low	146 Å²	146	158.8 Å²	158.8	78%	0.781	78%	0.784	S	S	*	*			trans	-125.5	84	162.6	-148.4	2.5	0	0	0	106.6	H20 K24	H20-N22 PolarHBondContact O-N 3.04Å; N22-K24 PolarHBondContact O-N 3.11Å; N22-K24 VanDerWaalsContact O-N 3.11Å
23	K	44.1	Very low	42.6	Very low	191 Å²	191	156.8 Å²	156.8	83%	0.83	78%	0.778	S	S	*	*			trans	-84	89.2	-176.3	-145.4	179.9	-172.1	-175.4	0	108.4	T25	K23-T25 PolarHBondContact O-N 3.44Å
24	K	47.9	Very low	42.1	Very low	177 Å²	177	152.2 Å²	152.2	77%	0.77	77%	0.77	S	S	*	*			trans	-56.9	123.6	163	-84.3	-179.5	173.3	-178.8	0	110	N22	N22-K24 PolarHBondContact O-N 3.11Å; N22-K24 VanDerWaalsContact O-N 3.11Å
25	T	39.6	Very low	41	Very low	112 Å²	112	156.7 Å²	156.7	69%	0.687	77%	0.773	S	S	*	*			trans	32	96.4	133.2	54.8	0	0	0	0	116.8	K23	K23-T25 PolarHBondContact O-N 3.44Å
26	N	41.8	Very low	39.9	Very low	155 Å²	155	160.5 Å²	160.5	83%	0.829	78%	0.78	S	S	*	*			trans	-111.4	103.2	138.6	-86.2	-6.2	0	0	0	105.7	V28	N26-V28 PolarHBondContact O-N 3.01Å
27	E	37.6	Very low	38.9	Very low	179 Å²	179	157 Å²	157	84%	0.836	77%	0.773	S	S	*	*			trans	-61.9	101.6	167.2	-72.4	177.1	156	0	0	107.7	L29	E27-L29 PolarHBondContact O-N 2.94Å
28	V	37	Very low	37.9	Very low	112 Å²	112	153.9 Å²	153.9	68%	0.679	77%	0.771	S	S	*	*			trans	-79.7	106.9	162	-176.3	0	0	0	0	105.3	N26 I30	N26-V28 PolarHBondContact O-N 3.01Å; V28-I30 VanDerWaalsContact C-N 3.27Å; V28-I30 HydrophobicContact CB-CG1 4.21Å; V28-I30 HydrophobicContact CG1-CD1 4.29Å; V28-I30 HydrophobicContact CG1-CG1 3.6Å; V28-I30 PolarHBondContact O-N 3.39Å
29	L	33.1	Very low	37.3	Very low	142 Å²	142	153.2 Å²	153.2	74%	0.743	77%	0.773	S	S	*	*			trans	-67.4	89.9	167	-96	145	0	0	0	108.1	E27	E27-L29 PolarHBondContact O-N 2.94Å
30	I	34.3	Very low	36.6	Very low	133 Å²	133	149.8 Å²	149.8	68%	0.682	78%	0.775	S	S	*	*			trans	-85.8	108.1	172.3	-58.7	174.7	0	0	0	106.9	V28 P32	V28-I30 VanDerWaalsContact C-N 3.27Å; V28-I30 HydrophobicContact CB-CG1 4.21Å; V28-I30 HydrophobicContact CG1-CD1 4.29Å; V28-I30 HydrophobicContact CG1-CG1 3.6Å; V28-I30 PolarHBondContact O-N 3.39Å; I30-P32 WeakPolarHBondContact O-CD 3.35Å
31	F	30.6	Very low	35.8	Very low	173 Å²	173	150.7 Å²	150.7	76%	0.759	78%	0.777	S	S	*	*			trans	-78.5	115.1	163.9	-75.2	-85.8	0	0	0	108.2	Y33	F31-Y33 PolarHBondContact O-N 2.73Å; F31-Y33 VanDerWaalsContact O-N 3.08Å
32	P	35	Very low	34.6	Very low	116 Å²	116	150.4 Å²	150.4	75%	0.753	78%	0.776	S	S	*	*			trans	-74.8	101.9	179.7	29.6	-31.8	0	0	0	109.5	I30	I30-P32 WeakPolarHBondContact O-CD 3.35Å
33	Y	27.6	Very low	34.2	Very low	196 Å²	196	148.7 Å²	148.7	77%	0.769	77%	0.77	S	S	*	*			trans	-88.6	133.3	158.6	-115.4	-93	0	0	0	108.5	F31 Y35	F31-Y33 PolarHBondContact O-N 2.73Å; F31-Y33 VanDerWaalsContact O-N 3.08Å; Y33-Y35 VanDerWaalsContact C-N 3.28Å; Y33-Y35 PolarHBondContact O-N 3.24Å
34	P	36.1	Very low	33.7	Very low	119 Å²	119	143.4 Å²	143.4	77%	0.773	75%	0.754	S	S	*	*			trans	-69.8	84.7	-176.2	28.5	-34.3	0	0	0	110.4	M36	P34-M36 PolarHBondContact O-N 3.15Å; P34-M36 VanDerWaalsContact O-N 3.1Å
35	Y	30.4	Very low	33.3	Very low	196 Å²	196	141.5 Å²	141.5	77%	0.769	76%	0.76	S	S	*	*			trans	-71.8	95.9	161.8	-94.6	-87.6	0	0	0	108.1	Y33 C37	Y33-Y35 VanDerWaalsContact C-N 3.28Å; Y33-Y35 PolarHBondContact O-N 3.24Å; Y35-C37 HydrophobicContact CD1-CB 3.81Å; Y35-C37 PolarHBondContact O-N 3.48Å; Y35-C37 VanDerWaalsContact O-N 3.13Å
36	M	28.2	Very low	33.2	Very low	193 Å²	193	145.6 Å²	145.6	95%	0.951	77%	0.768	S	S	*	*			trans	-76.9	61.8	146.5	-75.3	-160.9	164.4	0	0	108.5	P34	P34-M36 PolarHBondContact O-N 3.15Å; P34-M36 VanDerWaalsContact O-N 3.1Å
37	C	29.1	Very low	33.2	Very low	87 Å²	87	142 Å²	142	59%	0.588	76%	0.755	S	S	*	*			trans	-112.6	97.1	155.4	-70.2	0	0	0	0	105.3	Y35 D39	Y35-C37 HydrophobicContact CD1-CB 3.81Å; Y35-C37 PolarHBondContact O-N 3.48Å; Y35-C37 VanDerWaalsContact O-N 3.13Å; C37-D39 PolarHBondContact O-N 2.72Å
38	S	28.8	Very low	33.2	Very low	112 Å²	112	142.1 Å²	142.1	78%	0.783	75%	0.753	S	S	*	*			trans	-54.1	91.5	158.8	50.3	0	0	0	0	108.1
39	D	32.2	Very low	33.2	Very low	152 Å²	152	143.3 Å²	143.3	81%	0.813	76%	0.763	S	S	*	*			trans	177.5	113.8	142.3	-84.2	-24.9	0	0	0	108.8	C37 F41	C37-D39 PolarHBondContact O-N 2.72Å; D39-F41 PolarHBondContact O-N 3.37Å
40	A	33.2	Very low	33.3	Very low	103 Å²	103	143.1 Å²	143.1	85%	0.851	76%	0.762	S	S	*	*			trans	-65.3	111.3	-179	0	0	0	0	0	110.7	Q42	A40-Q42 PolarHBondContact O-N 3.19Å
41	F	31.5	Very low	33.3	Very low	198 Å²	198	146.4 Å²	146.4	87%	0.868	77%	0.772	S	S	*	*			trans	-72.6	96.6	165.7	-117.5	-91.2	0	0	0	108.9	D39 V43	D39-F41 PolarHBondContact O-N 3.37Å; F41-V43 HydrophobicContact CD1-CG2 3.95Å
42	Q	28.1	Very low	33.5	Very low	167 Å²	167	148.1 Å²	148.1	78%	0.78	78%	0.775	S	S	*	*			trans	-99.9	96.1	171.5	-160.2	177.6	22.8	0	0	109.3	A40 T44	A40-Q42 PolarHBondContact O-N 3.19Å; Q42-T44 PolarHBondContact O-N 3.08Å
43	V	32.6	Very low	33.3	Very low	110 Å²	110	147.5 Å²	147.5	67%	0.667	77%	0.773	S	S	*	*			trans	-85.2	91.5	174.5	-174.6	0	0	0	0	109	F41	F41-V43 HydrophobicContact CD1-CG2 3.95Å
44	T	33.9	Very low	33.6	Very low	80 Å²	80	140.8 Å²	140.8	49%	0.491	75%	0.754	S	S	.	*			trans	-74.1	140.4	163.1	47.6	0	0	0	0	110	Q42 K46	Q42-T44 PolarHBondContact O-N 3.08Å; T44-K46 PolarHBondContact O-N 3.38Å
45	P	37.8	Very low	33.5	Very low	136 Å²	136	139 Å²	139	88%	0.883	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.2	26.9	-172.7	27.7	-35	0	0	0	115.2
46	K	38	Very low	34.1	Very low	199 Å²	199	132.7 Å²	132.7	87%	0.865	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.4	2.6	-177.9	-79.3	-173.1	175.1	179.8	0	115	T44	T44-K46 PolarHBondContact O-N 3.38Å
47	S	41.7	Very low	34.7	Very low	79 Å²	79	133 Å²	133	55%	0.552	72%	0.72	S	S	*	*			trans	-86.5	119.5	176.3	52.7	0	0	0	0	111.5
48	K	38.1	Very low	35.2	Very low	182 Å²	182	131 Å²	131	79%	0.791	71%	0.705	S	S	*	*			trans	-41.7	153.8	163.9	-75.5	175.9	177.3	176.5	0	111.3	N50	K48-N50 PolarHBondContact O-N 3.43Å
49	P	37.7	Very low	36.1	Very low	136 Å²	136	131.4 Å²	131.4	88%	0.883	71%	0.708	S	S	*	*			trans	-59	97.1	-177.3	25.9	-34.5	0	0	0	109.7	K51	P49-K51 PolarHBondContact O-N 3.37Å
50	N	33.7	Very low	36.9	Very low	138 Å²	138	126 Å²	126	74%	0.738	68%	0.682	S	S	*	*			trans	-76.5	118	170.8	-105.4	-4.7	0	0	0	106.5	K48 Y52	K48-N50 PolarHBondContact O-N 3.43Å; N50-Y52 PolarHBondContact O-N 2.99Å
51	K	34.1	Very low	37.6	Very low	202 Å²	202	126 Å²	126	88%	0.878	67%	0.673	S	S	*	*			trans	-26.9	106.9	157.9	-114	171.9	172.6	179	0	109.2	P49 S53	P49-K51 PolarHBondContact O-N 3.37Å; K51-S53 PolarHBondContact O-N 3.45Å
52	Y	36.3	Very low	38.6	Very low	210 Å²	210	124.7 Å²	124.7	82%	0.824	67%	0.667	S	S	*	*			trans	-58	101.1	171	-72.7	-90.1	0	0	0	107.9	N50 C54	N50-Y52 PolarHBondContact O-N 2.99Å; Y52-C54 PolarHBondContact O-N 2.81Å
53	S	31.2	Very low	39.6	Very low	103 Å²	103	118 Å²	118	72%	0.72	64%	0.638	S	S	*	*			trans	-75.8	87.7	167.3	63	0	0	0	0	106.9	K51 S55	K51-S53 PolarHBondContact O-N 3.45Å; S53-S55 PolarHBondContact O-N 3.44Å
54	C	33.1	Very low	40.5	Very low	55 Å²	55	116.9 Å²	116.9	37%	0.372	62%	0.624	S	S	.	*			trans	-62.8	81.8	164.7	-92.7	0	0	0	0	106.9	Y52 F123 C127	Y52-C54 PolarHBondContact O-N 2.81Å; C54-F123 VanDerWaalsContact CA-CZ 3.47Å; C54-F123 HydrophobicContact CB-CD2 4.39Å; C54-F123 HydrophobicContact CB-CE1 3.92Å; C54-F123 HydrophobicContact CB-CE2 3.37Å; C54-F123 HydrophobicContact CB-CZ 3.13Å; C54-F123 WeakPolarHBondContact O-CZ 3.16Å; C54-C127 WeakPolarHBondContact CB-SG 3.29Å; C54-C127 WeakPolarHBondContact SG-CB 3.34Å; C54-C127 CovalentContact SG-SG 2.08Å; C54-C127 PolarHBondContact SG-SG 3.07Å
55	S	34.3	Very low	41.2	Very low	80 Å²	80	116.4 Å²	116.4	56%	0.559	62%	0.623	S	S	*	*			trans	-111.9	94.3	177.7	59.1	0	0	0	0	110.7	S53 F57	S53-S55 PolarHBondContact O-N 3.44Å; S55-F57 PolarHBondContact O-N 3.18Å
56	L	42.6	Very low	42	Very low	64 Å²	64	113.8 Å²	113.8	34%	0.335	60%	0.601	S	S	.	*			trans	-82.6	107.1	171	-168.9	80.2	0	0	0	108.5	V58 F64 T119 F120 F123	L56-V58 HydrophobicContact CD2-CG2 3.49Å; L56-V58 VanDerWaalsContact CD2-CG2 3.49Å; L56-V58 HydrophobicContact CG-CG2 3.82Å; L56-V58 PolarHBondContact O-N 2.8Å; L56-F64 HydrophobicContact CD2-CE2 4.47Å; L56-T119 HydrophobicContact CD1-CG2 3.66Å; L56-F120 HydrophobicContact CD2-CD2 4.24Å; L56-F123 HydrophobicContact CB-CE2 4.48Å; L56-F123 HydrophobicContact CB-CZ 4.36Å
57	F	40.8	Very low	43	Very low	200 Å²	200	104.9 Å²	104.9	88%	0.877	56%	0.564	S	S	*	*			trans	-75.6	101.7	168.8	-90.2	-89.2	0	0	0	108.9	S55	S55-F57 PolarHBondContact O-N 3.18Å
58	V	39.8	Very low	43.9	Very low	44 Å²	44	105.6 Å²	105.6	27%	0.267	56%	0.557	S	S	.	*			trans	-96	116.9	171.2	-171.8	0	0	0	0	108.4	L56 S60 F64	L56-V58 HydrophobicContact CD2-CG2 3.49Å; L56-V58 VanDerWaalsContact CD2-CG2 3.49Å; L56-V58 HydrophobicContact CG-CG2 3.82Å; L56-V58 PolarHBondContact O-N 2.8Å; V58-S60 PolarHBondContact O-N 3.2Å; V58-F64 HydrophobicContact CG1-CB 4.16Å; V58-F64 HydrophobicContact CG2-CD2 3.97Å
59	S	46.9	Very low	45.1	Very low	122 Å²	122	102.7 Å²	102.7	85%	0.853	55%	0.548	S	S	*	.	S	Bend	trans	-76.9	2.4	-174.5	52.1	0	0	0	0	114.7
60	S	50.7	Low	46.2	Very low	37 Å²	37	100.9 Å²	100.9	26%	0.259	53%	0.528	S	S	.	.			trans	-143.8	120.3	175.8	177.8	0	0	0	0	112.1	V58 F62 V63	V58-S60 PolarHBondContact O-N 3.2Å; S60-F62 PolarHBondContact O-N 2.8Å; S60-V63 PolarHBondContact O-N 2.77Å
61	P	47.4	Very low	47.6	Very low	103 Å²	103	95.9 Å²	95.9	67%	0.669	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-14.5	-179.8	28.5	-34.7	0	0	0	113.2	P65	P61-P65 WeakPolarHBondContact O-CD 3.27Å; P61-P65 WeakPolarHBondContact O-CG 3.23Å
62	F	52.6	Low	49	Very low	171 Å²	171	92.7 Å²	92.7	75%	0.75	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-26.7	177.8	-62.9	-76.4	0	0	0	113.1	S60	S60-F62 PolarHBondContact O-N 2.8Å
63	V	49.4	Very low	50.4	Low	27 Å²	27	86.9 Å²	86.9	16%	0.164	47%	0.465	C	S	.	.	H	α-helix	trans	-75.5	-33.8	-177.7	176	0	0	0	0	110.9	S60 L66 A67 Y113	S60-V63 PolarHBondContact O-N 2.77Å; V63-L66 PolarHBondContact O-N 3.33Å; V63-A67 VanDerWaalsContact O-CB 3.27Å; V63-A67 WeakPolarHBondContact O-CB 3.19Å; V63-A67 PolarHBondContact O-N 3.41Å; V63-Y113 HydrophobicContact CG1-CD1 4.28Å; V63-Y113 HydrophobicContact CG1-CE1 4.07Å
64	F	51.5	Low	51.9	Low	87 Å²	87	84.4 Å²	84.4	38%	0.382	44%	0.444	S	S	.	.	H	α-helix	trans	-66.8	-50.8	-177.5	-175.5	-99	0	0	0	113.8	L56 V58 L66 A67 F68 F120	L56-F64 HydrophobicContact CD2-CE2 4.47Å; V58-F64 HydrophobicContact CG1-CB 4.16Å; V58-F64 HydrophobicContact CG2-CD2 3.97Å; F64-L66 VanDerWaalsContact C-N 3.26Å; F64-L66 PolarHBondContact O-N 3.12Å; F64-A67 PolarHBondContact O-N 3.2Å; F64-F68 VanDerWaalsContact O-CB 3.23Å; F64-F68 WeakPolarHBondContact O-CB 3.11Å; F64-F68 PolarHBondContact O-N 2.55Å; F64-F120 AromaticContact CE2-CD2 3.9Å; F64-F120 HydrophobicContact CE2-CD2 3.9Å; F64-F120 AromaticContact CE2-CE2 3.62Å; F64-F120 HydrophobicContact CE2-CE2 3.62Å; F64-F120 AromaticContact CZ-CE2 3.82Å; F64-F120 HydrophobicContact CZ-CE2 3.82Å; F64-F120 HydrophobicContact CZ-CZ 4.46Å
65	P	47.5	Very low	53.2	Low	70 Å²	70	83.9 Å²	83.9	46%	0.455	44%	0.439	S	S	.	.	H	α-helix	trans	-63.3	-34.1	177.3	-21.8	34.1	0	0	0	112.5	P61 M69	P61-P65 WeakPolarHBondContact O-CD 3.27Å; P61-P65 WeakPolarHBondContact O-CG 3.23Å; P65-M69 VanDerWaalsContact O-CB 3.29Å; P65-M69 WeakPolarHBondContact O-CB 3.41Å; P65-M69 VanDerWaalsContact O-CG 3.26Å; P65-M69 WeakPolarHBondContact O-CG 3.48Å; P65-M69 PolarHBondContact O-N 3.24Å
66	L	55.8	Low	54.5	Low	81 Å²	81	86 Å²	86	42%	0.424	44%	0.436	S	S	.	.	H	α-helix	trans	-71.2	-45.1	179.2	-170	67.4	0	0	0	111.8	V63 F64 F68 M69 H70 Y113	V63-L66 PolarHBondContact O-N 3.33Å; F64-L66 VanDerWaalsContact C-N 3.26Å; F64-L66 PolarHBondContact O-N 3.12Å; L66-F68 VanDerWaalsContact C-N 3.31Å; L66-F68 PolarHBondContact O-N 2.88Å; L66-M69 PolarHBondContact O-N 3.44Å; L66-H70 PolarHBondContact O-CD2 2.79Å; L66-H70 PolarHBondContact O-N 3.49Å; L66-Y113 HydrophobicContact CD2-CE1 4.05Å
67	A	58.6	Low	55.2	Low	11 Å²	11	88.6 Å²	88.6	9%	0.091	45%	0.446	C	S	.	.	H	α-helix	trans	-63.9	-38.2	173.6	0	0	0	0	0	111.5	V63 F64 H70 F71 I117	V63-A67 VanDerWaalsContact O-CB 3.27Å; V63-A67 WeakPolarHBondContact O-CB 3.19Å; V63-A67 PolarHBondContact O-N 3.41Å; F64-A67 PolarHBondContact O-N 3.2Å; A67-H70 PolarHBondContact O-N 3.05Å; A67-F71 VanDerWaalsContact O-CB 3.27Å; A67-F71 WeakPolarHBondContact O-CB 3.43Å; A67-F71 PolarHBondContact O-N 3.11Å; A67-I117 HydrophobicContact CB-CG1 4.37Å
68	F	60	Low	55.8	Low	95 Å²	95	80.8 Å²	80.8	42%	0.417	42%	0.416	S	S	.	.	H	α-helix	trans	-65.8	-44.2	175	-175.6	-95.2	0	0	0	112	F64 L66 F71 Y72 F120	F64-F68 VanDerWaalsContact O-CB 3.23Å; F64-F68 WeakPolarHBondContact O-CB 3.11Å; F64-F68 PolarHBondContact O-N 2.55Å; L66-F68 VanDerWaalsContact C-N 3.31Å; L66-F68 PolarHBondContact O-N 2.88Å; F68-F71 PolarHBondContact O-N 3.46Å; F68-Y72 WeakPolarHBondContact O-CB 3.31Å; F68-Y72 PolarHBondContact O-N 3.31Å; F68-F120 HydrophobicContact CD2-CE1 4.21Å; F68-F120 HydrophobicContact CD2-CZ 4.06Å; F68-F120 HydrophobicContact CE2-CZ 4.35Å
69	M	62.8	Low	56.3	Low	121 Å²	121	81.9 Å²	81.9	60%	0.596	42%	0.423	S	S	*	.	H	α-helix	trans	-60.8	-44.2	174.1	-82.3	-108.3	142	0	0	111.5	P65 L66 Y72 L73	P65-M69 VanDerWaalsContact O-CB 3.29Å; P65-M69 WeakPolarHBondContact O-CB 3.41Å; P65-M69 VanDerWaalsContact O-CG 3.26Å; P65-M69 WeakPolarHBondContact O-CG 3.48Å; P65-M69 PolarHBondContact O-N 3.24Å; L66-M69 PolarHBondContact O-N 3.44Å; M69-Y72 PolarHBondContact O-N 2.89Å; M69-L73 WeakPolarHBondContact O-CB 3.32Å; M69-L73 VanDerWaalsContact O-CG 3.24Å; M69-L73 WeakPolarHBondContact O-CG 3.34Å; M69-L73 PolarHBondContact O-N 2.77Å
70	H	61.6	Low	56.4	Low	98 Å²	98	80.2 Å²	80.2	45%	0.454	40%	0.404	S	S	.	.	H	α-helix	trans	-67.3	-43.3	177.4	-85.8	-55.3	0	0	0	112.9	L66 A67 Y72 L73 L74	L66-H70 PolarHBondContact O-CD2 2.79Å; L66-H70 PolarHBondContact O-N 3.49Å; A67-H70 PolarHBondContact O-N 3.05Å; H70-Y72 VanDerWaalsContact C-N 3.34Å; H70-L73 PolarHBondContact O-N 3.5Å; H70-L74 WeakPolarHBondContact O-CB 3.26Å; H70-L74 WeakPolarHBondContact O-CG 3.39Å; H70-L74 PolarHBondContact O-N 2.84Å
71	F	63.3	Low	56.2	Low	33 Å²	33	85.2 Å²	85.2	15%	0.145	43%	0.427	C	S	.	.	H	α-helix	trans	-61.4	-44.6	174.2	179.8	-101.6	0	0	0	111.1	A67 F68 L73 L74 V75 I117 F120 S121	A67-F71 VanDerWaalsContact O-CB 3.27Å; A67-F71 WeakPolarHBondContact O-CB 3.43Å; A67-F71 PolarHBondContact O-N 3.11Å; F68-F71 PolarHBondContact O-N 3.46Å; F71-L73 VanDerWaalsContact C-N 3.34Å; F71-L73 PolarHBondContact O-N 3.04Å; F71-L74 PolarHBondContact O-N 2.77Å; F71-V75 HydrophobicContact CD1-CG2 4.13Å; F71-V75 HydrophobicContact CD2-CG2 4.4Å; F71-V75 HydrophobicContact CE1-CG2 3.72Å; F71-V75 HydrophobicContact CE2-CG2 4.01Å; F71-V75 HydrophobicContact CG-CG2 4.46Å; F71-V75 HydrophobicContact CZ-CG2 3.66Å; F71-V75 WeakPolarHBondContact O-CB 3.36Å; F71-V75 VanDerWaalsContact O-CG2 3.31Å; F71-V75 WeakPolarHBondContact O-CG2 3.45Å; F71-V75 PolarHBondContact O-N 2.91Å; F71-I117 HydrophobicContact CD2-CG2 4.14Å; F71-F120 HydrophobicContact CD1-CD1 4.48Å; F71-F120 HydrophobicContact CD1-CE1 4.43Å; F71-S121 WeakPolarHBondContact CE2-OG 2.95Å
72	Y	63.2	Low	55.9	Low	134 Å²	134	83.1 Å²	83.1	53%	0.525	41%	0.413	S	S	.	.	H	α-helix	trans	-61.3	-42.3	176.7	-172.5	-92.2	0	0	0	111.7	F68 M69 H70 Y76	F68-Y72 WeakPolarHBondContact O-CB 3.31Å; F68-Y72 PolarHBondContact O-N 3.31Å; M69-Y72 PolarHBondContact O-N 2.89Å; H70-Y72 VanDerWaalsContact C-N 3.34Å; Y72-Y76 WeakPolarHBondContact O-CB 3.13Å; Y72-Y76 PolarHBondContact O-N 3.06Å
73	L	65	Low	55.3	Low	88 Å²	88	81 Å²	81	46%	0.461	41%	0.409	S	S	.	.	H	α-helix	trans	-65.1	-41.7	175.2	-74.1	170.3	0	0	0	112.4	M69 H70 F71 Y76 Q77	M69-L73 WeakPolarHBondContact O-CB 3.32Å; M69-L73 VanDerWaalsContact O-CG 3.24Å; M69-L73 WeakPolarHBondContact O-CG 3.34Å; M69-L73 PolarHBondContact O-N 2.77Å; H70-L73 PolarHBondContact O-N 3.5Å; F71-L73 VanDerWaalsContact C-N 3.34Å; F71-L73 PolarHBondContact O-N 3.04Å; L73-Y76 PolarHBondContact O-N 3.39Å; L73-Q77 WeakPolarHBondContact O-CB 3.22Å; L73-Q77 WeakPolarHBondContact O-CG 3.24Å; L73-Q77 PolarHBondContact O-N 2.71Å
74	L	63.2	Low	54.8	Low	52 Å²	52	84.8 Å²	84.8	27%	0.272	44%	0.437	S	S	.	.	H	α-helix	trans	-63.6	-46	176.2	-76	169.9	0	0	0	111.3	H70 F71 Q77 S78	H70-L74 WeakPolarHBondContact O-CB 3.26Å; H70-L74 WeakPolarHBondContact O-CG 3.39Å; H70-L74 PolarHBondContact O-N 2.84Å; F71-L74 PolarHBondContact O-N 2.77Å; L74-Q77 PolarHBondContact O-N 2.83Å; L74-S78 WeakPolarHBondContact O-CB 3.1Å; L74-S78 PolarHBondContact O-N 2.99Å; L74-S78 PolarHBondContact O-OG 3.36Å
75	V	60	Low	53.9	Low	43 Å²	43	90.5 Å²	90.5	26%	0.261	46%	0.456	S	S	.	.	H	α-helix	trans	-61.5	-46.5	174.4	173	0	0	0	0	109.8	F71 Q77 S78 V79	F71-V75 HydrophobicContact CD1-CG2 4.13Å; F71-V75 HydrophobicContact CD2-CG2 4.4Å; F71-V75 HydrophobicContact CE1-CG2 3.72Å; F71-V75 HydrophobicContact CE2-CG2 4.01Å; F71-V75 HydrophobicContact CG-CG2 4.46Å; F71-V75 HydrophobicContact CZ-CG2 3.66Å; F71-V75 WeakPolarHBondContact O-CB 3.36Å; F71-V75 VanDerWaalsContact O-CG2 3.31Å; F71-V75 WeakPolarHBondContact O-CG2 3.45Å; F71-V75 PolarHBondContact O-N 2.91Å; V75-Q77 PolarHBondContact O-N 3.43Å; V75-S78 WeakPolarHBondContact CA-OG 3.19Å; V75-S78 PolarHBondContact O-N 3.22Å; V75-S78 PolarHBondContact O-OG 3.01Å; V75-V79 HydrophobicContact CG1-CG2 4.14Å; V75-V79 WeakPolarHBondContact O-CB 3.28Å; V75-V79 WeakPolarHBondContact O-CG2 3.44Å; V75-V79 PolarHBondContact O-N 3.41Å
76	Y	62.3	Low	53	Low	126 Å²	126	96.8 Å²	96.8	49%	0.494	48%	0.476	S	S	.	.	H	α-helix	trans	-64	-40.1	-179.6	-167.5	-101.1	0	0	0	112.9	Y72 L73 V79 N80	Y72-Y76 WeakPolarHBondContact O-CB 3.13Å; Y72-Y76 PolarHBondContact O-N 3.06Å; L73-Y76 PolarHBondContact O-N 3.39Å; Y76-V79 PolarHBondContact O-N 2.08Å; Y76-N80 WeakPolarHBondContact CD1-ND2 3.37Å; Y76-N80 WeakPolarHBondContact CE1-ND2 3.22Å; Y76-N80 WeakPolarHBondContact O-CB 3.37Å; Y76-N80 PolarHBondContact O-N 3.47Å
77	Q	56.2	Low	51.8	Low	117 Å²	117	98.2 Å²	98.2	55%	0.547	49%	0.491	S	S	.	.	H	α-helix	trans	-67.3	-43.2	173.9	-75.6	-178.7	-11.3	0	0	111.5	L73 L74 V75 V79 N80 L81	L73-Q77 WeakPolarHBondContact O-CB 3.22Å; L73-Q77 WeakPolarHBondContact O-CG 3.24Å; L73-Q77 PolarHBondContact O-N 2.71Å; L74-Q77 PolarHBondContact O-N 2.83Å; V75-Q77 PolarHBondContact O-N 3.43Å; Q77-V79 VanDerWaalsContact C-N 3.33Å; Q77-V79 PolarHBondContact O-N 2.93Å; Q77-N80 PolarHBondContact O-N 3.04Å; Q77-L81 WeakPolarHBondContact O-CB 3.3Å; Q77-L81 WeakPolarHBondContact O-CD1 3.38Å; Q77-L81 WeakPolarHBondContact O-CG 3.26Å; Q77-L81 PolarHBondContact O-N 2.82Å
78	S	54.2	Low	50.7	Low	37 Å²	37	103.5 Å²	103.5	26%	0.259	52%	0.517	S	S	.	.	H	α-helix	trans	-62.5	-41.5	175.9	73	0	0	0	0	111	L74 V75 L81 T82	L74-S78 WeakPolarHBondContact O-CB 3.1Å; L74-S78 PolarHBondContact O-N 2.99Å; L74-S78 PolarHBondContact O-OG 3.36Å; V75-S78 WeakPolarHBondContact CA-OG 3.19Å; V75-S78 PolarHBondContact O-N 3.22Å; V75-S78 PolarHBondContact O-OG 3.01Å; S78-L81 PolarHBondContact O-N 2.75Å; S78-T82 WeakPolarHBondContact O-CB 3.17Å; S78-T82 PolarHBondContact O-N 2.85Å; S78-T82 PolarHBondContact O-OG1 3.4Å
79	V	49.7	Very low	49.9	Very low	67 Å²	67	104.5 Å²	104.5	41%	0.406	53%	0.533	S	S	.	.	H	α-helix	trans	-69.4	-39.9	177.8	173.3	0	0	0	0	111	V75 Y76 Q77 T82 L83	V75-V79 HydrophobicContact CG1-CG2 4.14Å; V75-V79 WeakPolarHBondContact O-CB 3.28Å; V75-V79 WeakPolarHBondContact O-CG2 3.44Å; V75-V79 PolarHBondContact O-N 3.41Å; Y76-V79 PolarHBondContact O-N 2.08Å; Q77-V79 VanDerWaalsContact C-N 3.33Å; Q77-V79 PolarHBondContact O-N 2.93Å; V79-T82 CarbonylContact O-C 3.29Å; V79-T82 PolarHBondContact O-N 2.85Å; V79-L83 HydrophobicContact CG1-CD1 3.66Å; V79-L83 HydrophobicContact CG1-CG 4.05Å; V79-L83 VanDerWaalsContact O-CB 3.27Å; V79-L83 WeakPolarHBondContact O-CB 3.15Å; V79-L83 WeakPolarHBondContact O-CD1 3.36Å; V79-L83 WeakPolarHBondContact O-CG 3.22Å; V79-L83 PolarHBondContact O-N 3.38Å
80	N	49.4	Very low	49.1	Very low	87 Å²	87	106.6 Å²	106.6	47%	0.465	54%	0.535	S	S	.	.	H	α-helix	trans	-69.5	-32.5	175.7	-86.3	-28.7	0	0	0	113.8	Y76 Q77 T82	Y76-N80 WeakPolarHBondContact CD1-ND2 3.37Å; Y76-N80 WeakPolarHBondContact CE1-ND2 3.22Å; Y76-N80 WeakPolarHBondContact O-CB 3.37Å; Y76-N80 PolarHBondContact O-N 3.47Å; Q77-N80 PolarHBondContact O-N 3.04Å; N80-T82 VanDerWaalsContact C-N 3.35Å
81	L	47.2	Very low	48.6	Very low	141 Å²	141	106 Å²	106	74%	0.738	54%	0.539	S	S	*	.	H	α-helix	trans	-72.3	-31.8	171	-78.2	159.7	0	0	0	111.6	Q77 S78	Q77-L81 WeakPolarHBondContact O-CB 3.3Å; Q77-L81 WeakPolarHBondContact O-CD1 3.38Å; Q77-L81 WeakPolarHBondContact O-CG 3.26Å; Q77-L81 PolarHBondContact O-N 2.82Å; S78-L81 PolarHBondContact O-N 2.75Å
82	T	39.7	Very low	48.4	Very low	60 Å²	60	108.7 Å²	108.7	37%	0.368	56%	0.555	S	S	.	*	H	α-helix	trans	-91	-19.3	-175.1	-47.5	0	0	0	0	113	S78 V79 N80 S84 R85 L88	S78-T82 WeakPolarHBondContact O-CB 3.17Å; S78-T82 PolarHBondContact O-N 2.85Å; S78-T82 PolarHBondContact O-OG1 3.4Å; V79-T82 CarbonylContact O-C 3.29Å; V79-T82 PolarHBondContact O-N 2.85Å; N80-T82 VanDerWaalsContact C-N 3.35Å; T82-S84 PolarHBondContact O-N 3.29Å; T82-R85 CarbonylContact O-C 3.57Å; T82-R85 PolarHBondContact O-N 2.91Å; T82-L88 HydrophobicContact CG2-CD1 4.15Å
83	L	40.1	Very low	48.1	Very low	126 Å²	126	105.9 Å²	105.9	66%	0.66	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-5.4	175.4	-87.3	163.1	0	0	0	114.2	V79 R85	V79-L83 HydrophobicContact CG1-CD1 3.66Å; V79-L83 HydrophobicContact CG1-CG 4.05Å; V79-L83 VanDerWaalsContact O-CB 3.27Å; V79-L83 WeakPolarHBondContact O-CB 3.15Å; V79-L83 WeakPolarHBondContact O-CD1 3.36Å; V79-L83 WeakPolarHBondContact O-CG 3.22Å; V79-L83 PolarHBondContact O-N 3.38Å; L83-R85 PolarHBondContact O-N 2.94Å
84	S	39.4	Very low	47.9	Very low	107 Å²	107	107.7 Å²	107.7	75%	0.748	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.7	-14.3	162.9	-179.6	0	0	0	0	113	T82	T82-S84 PolarHBondContact O-N 3.29Å
85	R	32.4	Very low	47.8	Very low	207 Å²	207	109.4 Å²	109.4	78%	0.781	57%	0.567	S	S	*	*	S	Bend	trans	-137.6	115.6	177.4	-67.8	-175.2	179	175	-0.3	110.3	T82 L83 C87	T82-R85 CarbonylContact O-C 3.57Å; T82-R85 PolarHBondContact O-N 2.91Å; L83-R85 PolarHBondContact O-N 2.94Å; R85-C87 PolarHBondContact O-N 3.47Å
86	K	29.7	Very low	47.8	Very low	202 Å²	202	108.6 Å²	108.6	88%	0.878	56%	0.562	S	S	*	*	S	Bend	trans	-45.6	135	169.9	-68.2	170.8	175.2	175.3	0	109.9
87	C	29.4	Very low	47.6	Very low	110 Å²	110	107.5 Å²	107.5	74%	0.743	56%	0.56	S	S	*	*			trans	89.6	106.3	169.1	-46.8	0	0	0	0	116.2	R85	R85-C87 PolarHBondContact O-N 3.47Å
88	L	35.9	Very low	48	Very low	122 Å²	122	106.5 Å²	106.5	64%	0.639	56%	0.558	S	S	*	*			trans	-161.6	108.6	140.4	-100.9	136.6	0	0	0	110.2	T82 Y90	T82-L88 HydrophobicContact CG2-CD1 4.15Å; L88-Y90 WeakPolarHBondContact CD2-O 3.42Å; L88-Y90 PolarHBondContact O-N 2.77Å
89	P	42.6	Very low	48.3	Very low	116 Å²	116	107.9 Å²	107.9	75%	0.753	56%	0.563	S	S	*	*	S	Bend	trans	-84	15	163.1	32.4	-27.7	0	0	0	112.3
90	Y	46.1	Very low	48.7	Very low	165 Å²	165	104.9 Å²	104.9	65%	0.647	54%	0.544	S	S	*	.			trans	-126.1	111.6	-179.5	-61.6	-80.9	0	0	0	109	L88 D92	L88-Y90 WeakPolarHBondContact CD2-O 3.42Å; L88-Y90 PolarHBondContact O-N 2.77Å; Y90-D92 PolarHBondContact O-N 3.13Å
91	V	50.8	Low	49.2	Very low	87 Å²	87	107 Å²	107	53%	0.527	55%	0.546	S	S	.	.			trans	-72.5	117.2	161.1	177.5	0	0	0	0	105.6	I93 V96	V91-I93 PolarHBondContact O-N 3.1Å; V91-I93 VanDerWaalsContact O-N 3.12Å; V91-V96 HydrophobicContact CG1-CG2 3.44Å; V91-V96 VanDerWaalsContact CG1-CG2 3.44Å
92	D	59.6	Low	49.8	Very low	89 Å²	89	104.4 Å²	104.4	48%	0.476	53%	0.532	S	S	.	.			trans	-64.4	110.2	176.5	-172.7	-18.1	0	0	0	109	Y90 D94 L95 V96	Y90-D92 PolarHBondContact O-N 3.13Å; D92-D94 PolarHBondContact O-N 2.82Å; D92-D94 WeakPolarHBondContact OD1-CB 3.21Å; D92-D94 PolarHBondContact OD1-N 2.68Å; D92-L95 HydrophobicContact CB-CB 3.84Å; D92-L95 WeakPolarHBondContact O-CB 3.32Å; D92-L95 PolarHBondContact O-N 3.43Å; D92-L95 VanDerWaalsContact O-N 3.11Å; D92-L95 PolarHBondContact OD1-N 2.81Å; D92-V96 PolarHBondContact O-N 2.89Å
93	I	57.2	Low	50.6	Low	75 Å²	75	104.6 Å²	104.6	39%	0.385	53%	0.531	S	S	.	.	H	α-helix	trans	-63.3	-33.5	-178.2	-63.2	174.3	0	0	0	109.9	V91 L95 V96 F97	V91-I93 PolarHBondContact O-N 3.1Å; V91-I93 VanDerWaalsContact O-N 3.12Å; I93-L95 VanDerWaalsContact C-N 3.25Å; I93-L95 PolarHBondContact O-N 3.41Å; I93-V96 PolarHBondContact O-N 2.89Å; I93-F97 WeakPolarHBondContact O-CB 3.31Å; I93-F97 PolarHBondContact O-N 3.31Å
94	D	59.9	Low	51.3	Low	125 Å²	125	99.6 Å²	99.6	67%	0.668	51%	0.506	S	S	*	.	H	α-helix	trans	-66	-35.6	177.5	-63.6	-30.9	0	0	0	110.1	D92 F97 L98	D92-D94 PolarHBondContact O-N 2.82Å; D92-D94 WeakPolarHBondContact OD1-CB 3.21Å; D92-D94 PolarHBondContact OD1-N 2.68Å; D94-F97 PolarHBondContact O-N 2.96Å; D94-L98 VanDerWaalsContact O-CB 3.23Å; D94-L98 WeakPolarHBondContact O-CB 3.48Å; D94-L98 PolarHBondContact O-N 3.37Å
95	L	61.2	Low	51.9	Low	88 Å²	88	100.4 Å²	100.4	46%	0.461	50%	0.498	S	S	.	.	H	α-helix	trans	-68.3	-41.2	173.9	-174.3	64	0	0	0	111.9	D92 I93 F97 N99	D92-L95 HydrophobicContact CB-CB 3.84Å; D92-L95 WeakPolarHBondContact O-CB 3.32Å; D92-L95 PolarHBondContact O-N 3.43Å; D92-L95 VanDerWaalsContact O-N 3.11Å; D92-L95 PolarHBondContact OD1-N 2.81Å; I93-L95 VanDerWaalsContact C-N 3.25Å; I93-L95 PolarHBondContact O-N 3.41Å; L95-F97 VanDerWaalsContact C-N 3.33Å; L95-N99 WeakPolarHBondContact O-CB 3.21Å; L95-N99 PolarHBondContact O-N 3.44Å; L95-N99 PolarHBondContact O-ND2 3.25Å
96	V	60	Low	53	Low	26 Å²	26	97.2 Å²	97.2	16%	0.158	50%	0.495	C	S	.	.	H	α-helix	trans	-64.7	-41.5	175.2	177.3	0	0	0	0	110.4	V91 D92 I93 S100	V91-V96 HydrophobicContact CG1-CG2 3.44Å; V91-V96 VanDerWaalsContact CG1-CG2 3.44Å; D92-V96 PolarHBondContact O-N 2.89Å; I93-V96 PolarHBondContact O-N 2.89Å; V96-S100 VanDerWaalsContact O-CB 3.26Å; V96-S100 WeakPolarHBondContact O-CB 3.38Å; V96-S100 PolarHBondContact O-N 2.8Å; V96-S100 PolarHBondContact O-OG 2.7Å
97	F	59.7	Low	54.2	Low	103 Å²	103	93 Å²	93	45%	0.452	48%	0.479	S	S	.	.	H	α-helix	trans	-65.5	-45.6	177.8	-172.5	-95.3	0	0	0	111.4	I93 D94 L95 N99 S100 W101 L118	I93-F97 WeakPolarHBondContact O-CB 3.31Å; I93-F97 PolarHBondContact O-N 3.31Å; D94-F97 PolarHBondContact O-N 2.96Å; L95-F97 VanDerWaalsContact C-N 3.33Å; F97-N99 PolarHBondContact O-N 2.75Å; F97-S100 PolarHBondContact O-N 2.85Å; F97-W101 VanDerWaalsContact O-CB 3.24Å; F97-W101 WeakPolarHBondContact O-CB 3.47Å; F97-W101 PolarHBondContact O-N 3.26Å; F97-L118 HydrophobicContact CD2-CD1 4.08Å; F97-L118 HydrophobicContact CD2-CD2 3.94Å; F97-L118 HydrophobicContact CE2-CD1 4.14Å
98	L	63.7	Low	55.2	Low	97 Å²	97	92.9 Å²	92.9	51%	0.508	48%	0.476	S	S	.	.	H	α-helix	trans	-62.1	-44.8	177.6	-174.4	67.8	0	0	0	111.5	D94 W101 L102	D94-L98 VanDerWaalsContact O-CB 3.23Å; D94-L98 WeakPolarHBondContact O-CB 3.48Å; D94-L98 PolarHBondContact O-N 3.37Å; L98-W101 PolarHBondContact O-N 2.88Å; L98-L102 HydrophobicContact CG-CD1 4.27Å; L98-L102 WeakPolarHBondContact O-CB 3.48Å; L98-L102 VanDerWaalsContact O-CG 3.28Å; L98-L102 WeakPolarHBondContact O-CG 3.35Å; L98-L102 PolarHBondContact O-N 3.46Å
99	N	60.6	Low	56.1	Low	66 Å²	66	92.3 Å²	92.3	35%	0.353	48%	0.478	S	S	.	.	H	α-helix	trans	-65.3	-41.7	176.7	-79.3	-59.9	0	0	0	112	L95 F97 L102 L103	L95-N99 WeakPolarHBondContact O-CB 3.21Å; L95-N99 PolarHBondContact O-N 3.44Å; L95-N99 PolarHBondContact O-ND2 3.25Å; F97-N99 PolarHBondContact O-N 2.75Å; N99-L102 PolarHBondContact O-N 3.45Å; N99-L103 WeakPolarHBondContact O-CG 3.47Å; N99-L103 PolarHBondContact O-N 3.06Å
100	S	57.9	Low	56.6	Low	3 Å²	3	87.9 Å²	87.9	2%	0.021	45%	0.449	C	S	.	.	H	α-helix	trans	-64.1	-43.4	176.1	-57.9	0	0	0	0	110.9	V96 F97 L103 V104 C114	V96-S100 VanDerWaalsContact O-CB 3.26Å; V96-S100 WeakPolarHBondContact O-CB 3.38Å; V96-S100 PolarHBondContact O-N 2.8Å; V96-S100 PolarHBondContact O-OG 2.7Å; F97-S100 PolarHBondContact O-N 2.85Å; S100-L103 WeakPolarHBondContact O-CB 3.34Å; S100-L103 PolarHBondContact O-N 3.27Å; S100-V104 WeakPolarHBondContact O-CG2 3.37Å; S100-V104 PolarHBondContact O-N 2.96Å; S100-C114 PolarHBondContact O-SG 3.38Å
101	W	59.8	Low	56.8	Low	131 Å²	131	85.6 Å²	85.6	50%	0.496	44%	0.443	S	S	.	.	H	α-helix	trans	-61.2	-45.4	176.3	-178.6	-97.1	0	0	0	112.2	F97 L98 L103 V104 Q105	F97-W101 VanDerWaalsContact O-CB 3.24Å; F97-W101 WeakPolarHBondContact O-CB 3.47Å; F97-W101 PolarHBondContact O-N 3.26Å; L98-W101 PolarHBondContact O-N 2.88Å; W101-L103 VanDerWaalsContact C-N 3.3Å; W101-L103 PolarHBondContact O-N 3.35Å; W101-V104 WeakPolarHBondContact O-CB 3.27Å; W101-V104 PolarHBondContact O-N 3.49Å; W101-Q105 WeakPolarHBondContact O-CG 3.35Å; W101-Q105 PolarHBondContact O-N 3.47Å
102	L	61	Low	56.8	Low	87 Å²	87	85.4 Å²	85.4	46%	0.455	44%	0.441	S	S	.	.	H	α-helix	trans	-60.7	-39	175.3	-74.1	168.5	0	0	0	111.8	L98 N99 Q105 L106	L98-L102 HydrophobicContact CG-CD1 4.27Å; L98-L102 WeakPolarHBondContact O-CB 3.48Å; L98-L102 VanDerWaalsContact O-CG 3.28Å; L98-L102 WeakPolarHBondContact O-CG 3.35Å; L98-L102 PolarHBondContact O-N 3.46Å; N99-L102 PolarHBondContact O-N 3.45Å; L102-Q105 PolarHBondContact O-N 3.36Å; L102-L106 WeakPolarHBondContact O-CG 3.49Å; L102-L106 PolarHBondContact O-N 3.46Å; L102-L106 VanDerWaalsContact O-N 3.13Å
103	L	56.6	Low	56.4	Low	64 Å²	64	84.8 Å²	84.8	34%	0.335	43%	0.433	S	S	.	.	H	α-helix	trans	-65.1	-40.2	175	-79.2	161.5	0	0	0	112.5	N99 S100 W101 Q105 L106 Q107 T110	N99-L103 WeakPolarHBondContact O-CG 3.47Å; N99-L103 PolarHBondContact O-N 3.06Å; S100-L103 WeakPolarHBondContact O-CB 3.34Å; S100-L103 PolarHBondContact O-N 3.27Å; W101-L103 VanDerWaalsContact C-N 3.3Å; W101-L103 PolarHBondContact O-N 3.35Å; L103-Q105 VanDerWaalsContact C-N 3.32Å; L103-Q105 PolarHBondContact O-N 3.19Å; L103-L106 PolarHBondContact O-N 3.45Å; L103-Q107 PolarHBondContact O-N 2.86Å; L103-T110 PolarHBondContact O-OG1 2.88Å
104	V	54.3	Low	56.2	Low	22 Å²	22	81.5 Å²	81.5	13%	0.133	42%	0.417	C	S	.	.	H	α-helix	trans	-59.3	-43.1	172.9	169.8	0	0	0	0	111.7	S100 W101 L106 Q107 F111 C114	S100-V104 WeakPolarHBondContact O-CG2 3.37Å; S100-V104 PolarHBondContact O-N 2.96Å; W101-V104 WeakPolarHBondContact O-CB 3.27Å; W101-V104 PolarHBondContact O-N 3.49Å; V104-L106 VanDerWaalsContact C-N 3.32Å; V104-L106 PolarHBondContact O-N 3.05Å; V104-Q107 CarbonylContact O-C 3.53Å; V104-Q107 VanDerWaalsContact O-C 3.29Å; V104-Q107 PolarHBondContact O-N 3.34Å; V104-F111 HydrophobicContact CG1-CB 4.29Å; V104-F111 HydrophobicContact CG1-CD2 3.62Å; V104-F111 HydrophobicContact CG1-CE2 4.49Å; V104-F111 HydrophobicContact CG1-CG 4.45Å; V104-F111 HydrophobicContact CG2-CD2 4.04Å; V104-C114 HydrophobicContact CG2-CB 3.48Å; V104-C114 VanDerWaalsContact CG2-CB 3.48Å; V104-C114 WeakPolarHBondContact CG2-SG 3.26Å
105	Q	52.3	Low	56.2	Low	124 Å²	124	81 Å²	81	58%	0.579	41%	0.41	S	S	*	.	H	α-helix	trans	-65.8	-36.2	-179.2	-68.5	-71.5	-27.8	0	0	112	W101 L102 L103	W101-Q105 WeakPolarHBondContact O-CG 3.35Å; W101-Q105 PolarHBondContact O-N 3.47Å; L102-Q105 PolarHBondContact O-N 3.36Å; L103-Q105 VanDerWaalsContact C-N 3.32Å; L103-Q105 PolarHBondContact O-N 3.19Å
106	L	54.1	Low	56	Low	140 Å²	140	79.5 Å²	79.5	73%	0.733	40%	0.401	S	S	*	.	H	α-helix	trans	-78.4	-29.5	-179	-71.8	167.4	0	0	0	112.9	L102 L103 V104	L102-L106 WeakPolarHBondContact O-CG 3.49Å; L102-L106 PolarHBondContact O-N 3.46Å; L102-L106 VanDerWaalsContact O-N 3.13Å; L103-L106 PolarHBondContact O-N 3.45Å; V104-L106 VanDerWaalsContact C-N 3.32Å; V104-L106 PolarHBondContact O-N 3.05Å
107	Q	55.9	Low	55.9	Low	114 Å²	114	78.9 Å²	78.9	53%	0.533	40%	0.396	S	S	.	.			trans	-144.8	104.3	-178.9	-77.7	-179.4	-10.8	0	0	108.8	L103 V104 T109 T110	L103-Q107 PolarHBondContact O-N 2.86Å; V104-Q107 CarbonylContact O-C 3.53Å; V104-Q107 VanDerWaalsContact O-C 3.29Å; V104-Q107 PolarHBondContact O-N 3.34Å; Q107-T109 PolarHBondContact O-N 3.32Å; Q107-T110 WeakPolarHBondContact CB-OG1 3.4Å; Q107-T110 WeakPolarHBondContact O-CA 3.31Å; Q107-T110 VanDerWaalsContact O-CB 3.31Å; Q107-T110 WeakPolarHBondContact O-CB 3.41Å; Q107-T110 PolarHBondContact O-N 3.49Å; Q107-T110 PolarHBondContact O-OG1 3.48Å
108	P	50.9	Low	56	Low	106 Å²	106	75.8 Å²	75.8	69%	0.688	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-22.9	-178.4	20.3	-29.1	0	0	0	112.7	T110 F111	P108-T110 PolarHBondContact O-N 3.23Å; P108-F111 VanDerWaalsContact O-CB 3.31Å; P108-F111 WeakPolarHBondContact O-CB 3.46Å; P108-F111 PolarHBondContact O-N 3.01Å; P108-F111 VanDerWaalsContact O-N 3.08Å
109	T	54.1	Low	56	Low	110 Å²	110	74.4 Å²	74.4	68%	0.675	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-22	170.8	51.8	0	0	0	0	112.6	Q107 F111 Y113	Q107-T109 PolarHBondContact O-N 3.32Å; T109-F111 VanDerWaalsContact C-N 3.29Å; T109-F111 PolarHBondContact O-N 3.13Å; T109-Y113 VanDerWaalsContact O-CD2 3.22Å; T109-Y113 WeakPolarHBondContact O-CD2 3.35Å; T109-Y113 WeakPolarHBondContact O-CE2 3.41Å
110	T	52.8	Low	56	Low	23 Å²	23	72.9 Å²	72.9	14%	0.141	37%	0.37	C	S	.	.	H	α-helix	trans	-77	-5.9	173	-0.4	0	0	0	0	113.9	L103 Q107 P108 V112 Y113 C114	L103-T110 PolarHBondContact O-OG1 2.88Å; Q107-T110 WeakPolarHBondContact CB-OG1 3.4Å; Q107-T110 WeakPolarHBondContact O-CA 3.31Å; Q107-T110 VanDerWaalsContact O-CB 3.31Å; Q107-T110 WeakPolarHBondContact O-CB 3.41Å; Q107-T110 PolarHBondContact O-N 3.49Å; Q107-T110 PolarHBondContact O-OG1 3.48Å; P108-T110 PolarHBondContact O-N 3.23Å; T110-V112 PolarHBondContact O-N 2.86Å; T110-Y113 HydrophobicContact CG2-CD2 4.4Å; T110-Y113 CarbonylContact O-C 3.57Å; T110-Y113 WeakPolarHBondContact O-CB 3.4Å; T110-Y113 PolarHBondContact O-N 3Å; T110-Y113 VanDerWaalsContact O-N 3.13Å; T110-C114 WeakPolarHBondContact O-CB 3.27Å; T110-C114 PolarHBondContact O-N 3.47Å; T110-C114 PolarHBondContact O-SG 2.73Å
111	F	51.1	Low	56.1	Low	118 Å²	118	73.8 Å²	73.8	52%	0.518	38%	0.377	S	S	.	.	H	α-helix	trans	-60.3	-47.6	178.9	-174.1	-100.6	0	0	0	112.3	V104 P108 T109 Y113 C114 Q115	V104-F111 HydrophobicContact CG1-CB 4.29Å; V104-F111 HydrophobicContact CG1-CD2 3.62Å; V104-F111 HydrophobicContact CG1-CE2 4.49Å; V104-F111 HydrophobicContact CG1-CG 4.45Å; V104-F111 HydrophobicContact CG2-CD2 4.04Å; P108-F111 VanDerWaalsContact O-CB 3.31Å; P108-F111 WeakPolarHBondContact O-CB 3.46Å; P108-F111 PolarHBondContact O-N 3.01Å; P108-F111 VanDerWaalsContact O-N 3.08Å; T109-F111 VanDerWaalsContact C-N 3.29Å; T109-F111 PolarHBondContact O-N 3.13Å; F111-Y113 PolarHBondContact O-N 2.86Å; F111-C114 PolarHBondContact O-N 2.85Å; F111-Q115 PolarHBondContact O-N 3.19Å
112	V	50.9	Low	56.1	Low	83 Å²	83	71.6 Å²	71.6	50%	0.503	37%	0.372	S	S	.	.	H	α-helix	trans	-59.5	-40.5	175.8	179.6	0	0	0	0	109.9	T110 Q115 H116	T110-V112 PolarHBondContact O-N 2.86Å; V112-Q115 PolarHBondContact O-N 3.2Å; V112-H116 PolarHBondContact O-N 3.45Å; V112-H116 PolarHBondContact O-ND1 2.81Å
113	Y	51.3	Low	56.1	Low	76 Å²	76	70 Å²	70	30%	0.298	36%	0.361	S	S	.	.	H	α-helix	trans	-68	-40	179.1	-66	-86.5	0	0	0	112.6	V63 L66 T109 T110 F111 Q115 H116 I117	V63-Y113 HydrophobicContact CG1-CD1 4.28Å; V63-Y113 HydrophobicContact CG1-CE1 4.07Å; L66-Y113 HydrophobicContact CD2-CE1 4.05Å; T109-Y113 VanDerWaalsContact O-CD2 3.22Å; T109-Y113 WeakPolarHBondContact O-CD2 3.35Å; T109-Y113 WeakPolarHBondContact O-CE2 3.41Å; T110-Y113 HydrophobicContact CG2-CD2 4.4Å; T110-Y113 CarbonylContact O-C 3.57Å; T110-Y113 WeakPolarHBondContact O-CB 3.4Å; T110-Y113 PolarHBondContact O-N 3Å; T110-Y113 VanDerWaalsContact O-N 3.13Å; F111-Y113 PolarHBondContact O-N 2.86Å; Y113-Q115 VanDerWaalsContact C-N 3.32Å; Y113-Q115 PolarHBondContact O-N 3.48Å; Y113-H116 PolarHBondContact O-N 2.85Å; Y113-I117 WeakPolarHBondContact O-CB 3.49Å; Y113-I117 VanDerWaalsContact O-CG1 3.26Å; Y113-I117 WeakPolarHBondContact O-CG1 3.27Å; Y113-I117 PolarHBondContact O-N 3.26Å
114	C	52.2	Low	56.2	Low	6 Å²	6	73.1 Å²	73.1	4%	0.041	37%	0.369	C	S	.	.	H	α-helix	trans	-65.6	-37.5	178.1	-68.7	0	0	0	0	111.4	S100 V104 T110 F111 H116 I117 L118	S100-C114 PolarHBondContact O-SG 3.38Å; V104-C114 HydrophobicContact CG2-CB 3.48Å; V104-C114 VanDerWaalsContact CG2-CB 3.48Å; V104-C114 WeakPolarHBondContact CG2-SG 3.26Å; T110-C114 WeakPolarHBondContact O-CB 3.27Å; T110-C114 PolarHBondContact O-N 3.47Å; T110-C114 PolarHBondContact O-SG 2.73Å; F111-C114 PolarHBondContact O-N 2.85Å; C114-H116 VanDerWaalsContact C-N 3.35Å; C114-H116 PolarHBondContact O-N 3.43Å; C114-I117 PolarHBondContact O-N 3.44Å; C114-L118 WeakPolarHBondContact O-CB 3.16Å; C114-L118 VanDerWaalsContact O-CG 3.26Å; C114-L118 WeakPolarHBondContact O-CG 2.95Å; C114-L118 PolarHBondContact O-N 3.45Å
115	Q	59	Low	56.4	Low	114 Å²	114	75.9 Å²	75.9	53%	0.533	38%	0.38	S	S	.	.	H	α-helix	trans	-62.7	-41.1	173.1	-170.1	176.7	0.1	0	0	112	F111 V112 Y113 T119	F111-Q115 PolarHBondContact O-N 3.19Å; V112-Q115 PolarHBondContact O-N 3.2Å; Y113-Q115 VanDerWaalsContact C-N 3.32Å; Y113-Q115 PolarHBondContact O-N 3.48Å; Q115-T119 WeakPolarHBondContact O-CB 3.38Å; Q115-T119 PolarHBondContact O-N 2.88Å; Q115-T119 PolarHBondContact O-OG1 3.47Å
116	H	58.5	Low	56.7	Low	57 Å²	57	74.4 Å²	74.4	26%	0.264	38%	0.375	S	S	.	.	H	α-helix	trans	-69	-40.5	176.3	-73.1	82.4	0	0	0	112.3	V112 Y113 C114 T119 F120	V112-H116 PolarHBondContact O-N 3.45Å; V112-H116 PolarHBondContact O-ND1 2.81Å; Y113-H116 PolarHBondContact O-N 2.85Å; C114-H116 VanDerWaalsContact C-N 3.35Å; C114-H116 PolarHBondContact O-N 3.43Å; H116-T119 PolarHBondContact O-N 3.32Å; H116-F120 VanDerWaalsContact O-CB 3.27Å; H116-F120 WeakPolarHBondContact O-CB 3.46Å; H116-F120 PolarHBondContact O-N 3.22Å
117	I	57.7	Low	56.6	Low	12 Å²	12	70.3 Å²	70.3	6%	0.062	36%	0.357	C	S	.	.	H	α-helix	trans	-63.8	-43.5	177.1	-69.7	165.7	0	0	0	110.6	A67 F71 Y113 C114 F120 S121	A67-I117 HydrophobicContact CB-CG1 4.37Å; F71-I117 HydrophobicContact CD2-CG2 4.14Å; Y113-I117 WeakPolarHBondContact O-CB 3.49Å; Y113-I117 VanDerWaalsContact O-CG1 3.26Å; Y113-I117 WeakPolarHBondContact O-CG1 3.27Å; Y113-I117 PolarHBondContact O-N 3.26Å; C114-I117 PolarHBondContact O-N 3.44Å; I117-F120 PolarHBondContact O-N 2.79Å; I117-S121 VanDerWaalsContact O-CB 3.3Å; I117-S121 WeakPolarHBondContact O-CB 3.32Å; I117-S121 PolarHBondContact O-N 3.13Å; I117-S121 PolarHBondContact O-OG 2.89Å
118	L	62	Low	56.3	Low	39 Å²	39	69.3 Å²	69.3	20%	0.204	36%	0.356	C	S	.	.	H	α-helix	trans	-63.9	-45.6	175.6	-73	171.1	0	0	0	111.2	F97 C114 F120 S121 H122	F97-L118 HydrophobicContact CD2-CD1 4.08Å; F97-L118 HydrophobicContact CD2-CD2 3.94Å; F97-L118 HydrophobicContact CE2-CD1 4.14Å; C114-L118 WeakPolarHBondContact O-CB 3.16Å; C114-L118 VanDerWaalsContact O-CG 3.26Å; C114-L118 WeakPolarHBondContact O-CG 2.95Å; C114-L118 PolarHBondContact O-N 3.45Å; L118-F120 VanDerWaalsContact C-N 3.33Å; L118-F120 PolarHBondContact O-N 3.33Å; L118-S121 PolarHBondContact O-N 2.8Å; L118-H122 WeakPolarHBondContact O-CB 3.31Å; L118-H122 PolarHBondContact O-CD2 2.83Å; L118-H122 PolarHBondContact O-N 3.35Å
119	T	63.9	Low	56.1	Low	67 Å²	67	65.8 Å²	65.8	41%	0.411	33%	0.333	S	S	.	.	H	α-helix	trans	-61	-43.7	177.3	-53.5	0	0	0	0	110.9	L56 Q115 H116 F123	L56-T119 HydrophobicContact CD1-CG2 3.66Å; Q115-T119 WeakPolarHBondContact O-CB 3.38Å; Q115-T119 PolarHBondContact O-N 2.88Å; Q115-T119 PolarHBondContact O-OG1 3.47Å; H116-T119 PolarHBondContact O-N 3.32Å; T119-F123 WeakPolarHBondContact O-CB 3.48Å; T119-F123 PolarHBondContact O-N 3.08Å
120	F	60.4	Low	55.5	Low	35 Å²	35	66.1 Å²	66.1	15%	0.154	34%	0.337	C	S	.	.	H	α-helix	trans	-67.9	-40.3	178.1	-170.1	-95.9	0	0	0	112.2	L56 F64 F68 F71 H116 I117 L118 F123 Y124	L56-F120 HydrophobicContact CD2-CD2 4.24Å; F64-F120 AromaticContact CE2-CD2 3.9Å; F64-F120 HydrophobicContact CE2-CD2 3.9Å; F64-F120 AromaticContact CE2-CE2 3.62Å; F64-F120 HydrophobicContact CE2-CE2 3.62Å; F64-F120 AromaticContact CZ-CE2 3.82Å; F64-F120 HydrophobicContact CZ-CE2 3.82Å; F64-F120 HydrophobicContact CZ-CZ 4.46Å; F68-F120 HydrophobicContact CD2-CE1 4.21Å; F68-F120 HydrophobicContact CD2-CZ 4.06Å; F68-F120 HydrophobicContact CE2-CZ 4.35Å; F71-F120 HydrophobicContact CD1-CD1 4.48Å; F71-F120 HydrophobicContact CD1-CE1 4.43Å; H116-F120 VanDerWaalsContact O-CB 3.27Å; H116-F120 WeakPolarHBondContact O-CB 3.46Å; H116-F120 PolarHBondContact O-N 3.22Å; I117-F120 PolarHBondContact O-N 2.79Å; L118-F120 VanDerWaalsContact C-N 3.33Å; L118-F120 PolarHBondContact O-N 3.33Å; F120-F123 PolarHBondContact O-N 3.27Å; F120-Y124 WeakPolarHBondContact O-CB 3.49Å; F120-Y124 PolarHBondContact O-N 3.47Å
121	S	59.4	Low	55.2	Low	22 Å²	22	74.2 Å²	74.2	15%	0.154	37%	0.367	C	S	.	.	H	α-helix	trans	-64.2	-46.3	177.1	-57	0	0	0	0	111.1	F71 I117 L118 Y124 F125	F71-S121 WeakPolarHBondContact CE2-OG 2.95Å; I117-S121 VanDerWaalsContact O-CB 3.3Å; I117-S121 WeakPolarHBondContact O-CB 3.32Å; I117-S121 PolarHBondContact O-N 3.13Å; I117-S121 PolarHBondContact O-OG 2.89Å; L118-S121 PolarHBondContact O-N 2.8Å; S121-Y124 PolarHBondContact O-N 2.53Å; S121-F125 VanDerWaalsContact O-CB 3.31Å; S121-F125 WeakPolarHBondContact O-CB 3.27Å; S121-F125 PolarHBondContact O-N 3.19Å
122	H	59.6	Low	54.8	Low	84 Å²	84	71.7 Å²	71.7	39%	0.389	37%	0.374	S	S	.	.	H	α-helix	trans	-63.6	-44.2	175	-89.7	-90.7	0	0	0	111.7	L118 F125 I126	L118-H122 WeakPolarHBondContact O-CB 3.31Å; L118-H122 PolarHBondContact O-CD2 2.83Å; L118-H122 PolarHBondContact O-N 3.35Å; H122-F125 PolarHBondContact O-N 3.21Å; H122-I126 WeakPolarHBondContact O-CB 3.23Å; H122-I126 WeakPolarHBondContact O-CD1 3.4Å; H122-I126 WeakPolarHBondContact O-CG1 3.24Å; H122-I126 PolarHBondContact O-N 3.49Å
123	F	61.8	Low	54.3	Low	54 Å²	54	73 Å²	73	24%	0.237	38%	0.377	C	S	.	.	H	α-helix	trans	-62.9	-46.8	177.5	-179.8	-93.3	0	0	0	111.7	C54 L56 T119 F120 F125 I126 C127	C54-F123 VanDerWaalsContact CA-CZ 3.47Å; C54-F123 HydrophobicContact CB-CD2 4.39Å; C54-F123 HydrophobicContact CB-CE1 3.92Å; C54-F123 HydrophobicContact CB-CE2 3.37Å; C54-F123 HydrophobicContact CB-CZ 3.13Å; C54-F123 WeakPolarHBondContact O-CZ 3.16Å; L56-F123 HydrophobicContact CB-CE2 4.48Å; L56-F123 HydrophobicContact CB-CZ 4.36Å; T119-F123 WeakPolarHBondContact O-CB 3.48Å; T119-F123 PolarHBondContact O-N 3.08Å; F120-F123 PolarHBondContact O-N 3.27Å; F123-F125 VanDerWaalsContact C-N 3.28Å; F123-F125 PolarHBondContact O-N 2.87Å; F123-I126 PolarHBondContact O-N 3.41Å; F123-C127 VanDerWaalsContact CD1-SG 3.59Å; F123-C127 VanDerWaalsContact CE1-SG 3.55Å; F123-C127 PolarHBondContact O-N 2.9Å; F123-C127 PolarHBondContact O-SG 3.34Å
124	Y	57.3	Low	53.4	Low	130 Å²	130	81.4 Å²	81.4	51%	0.51	42%	0.419	S	S	.	.	H	α-helix	trans	-59.3	-41.4	175.4	-174.4	-90.8	0	0	0	111.1	F120 S121 N128	F120-Y124 WeakPolarHBondContact O-CB 3.49Å; F120-Y124 PolarHBondContact O-N 3.47Å; S121-Y124 PolarHBondContact O-N 2.53Å; Y124-N128 WeakPolarHBondContact CD2-ND2 3.26Å; Y124-N128 HydrophobicContact CE1-CB 4.36Å; Y124-N128 WeakPolarHBondContact CE2-ND2 3.22Å; Y124-N128 VanDerWaalsContact O-CB 3.22Å; Y124-N128 WeakPolarHBondContact O-CB 3.16Å; Y124-N128 PolarHBondContact O-N 3.5Å; Y124-N128 PolarHBondContact O-ND2 2.9Å
125	F	58.3	Low	53.4	Low	80 Å²	80	85.2 Å²	85.2	35%	0.351	44%	0.438	S	S	.	.	H	α-helix	trans	-65.1	-44	175.1	-172.4	-94.6	0	0	0	112.1	S121 H122 F123 N128 S129 I133	S121-F125 VanDerWaalsContact O-CB 3.31Å; S121-F125 WeakPolarHBondContact O-CB 3.27Å; S121-F125 PolarHBondContact O-N 3.19Å; H122-F125 PolarHBondContact O-N 3.21Å; F123-F125 VanDerWaalsContact C-N 3.28Å; F123-F125 PolarHBondContact O-N 2.87Å; F125-N128 PolarHBondContact O-N 2.82Å; F125-S129 WeakPolarHBondContact O-CB 3.03Å; F125-S129 PolarHBondContact O-N 3.38Å; F125-I133 HydrophobicContact CD1-CD1 4.07Å; F125-I133 HydrophobicContact CD1-CG1 4.31Å; F125-I133 HydrophobicContact CE1-CD1 4.16Å; F125-I133 HydrophobicContact CE1-CG1 3.95Å
126	I	58.6	Low	53.1	Low	92 Å²	92	83.6 Å²	83.6	47%	0.472	43%	0.433	S	S	.	.	H	α-helix	trans	-63.4	-45.2	177	-70	163.1	0	0	0	111	H122 F123 I133	H122-I126 WeakPolarHBondContact O-CB 3.23Å; H122-I126 WeakPolarHBondContact O-CD1 3.4Å; H122-I126 WeakPolarHBondContact O-CG1 3.24Å; H122-I126 PolarHBondContact O-N 3.49Å; F123-I126 PolarHBondContact O-N 3.41Å; I126-I133 HydrophobicContact CG1-CD1 3.89Å
127	C	54	Low	52.8	Low	55 Å²	55	85.1 Å²	85.1	37%	0.372	44%	0.442	S	S	.	.	H	α-helix	trans	-78.7	-20.5	-176.9	-39.4	0	0	0	0	112.2	C54 F123	C54-C127 WeakPolarHBondContact CB-SG 3.29Å; C54-C127 WeakPolarHBondContact SG-CB 3.34Å; C54-C127 CovalentContact SG-SG 2.08Å; C54-C127 PolarHBondContact SG-SG 3.07Å; F123-C127 VanDerWaalsContact CD1-SG 3.59Å; F123-C127 VanDerWaalsContact CE1-SG 3.55Å; F123-C127 PolarHBondContact O-N 2.9Å; F123-C127 PolarHBondContact O-SG 3.34Å
128	N	48.8	Very low	52.5	Low	92 Å²	92	89.4 Å²	89.4	49%	0.492	46%	0.464	S	S	.	.	H	α-helix	trans	-113.3	-7.4	-178.5	-65.7	-71.2	0	0	0	116	Y124 F125 P130	Y124-N128 WeakPolarHBondContact CD2-ND2 3.26Å; Y124-N128 HydrophobicContact CE1-CB 4.36Å; Y124-N128 WeakPolarHBondContact CE2-ND2 3.22Å; Y124-N128 VanDerWaalsContact O-CB 3.22Å; Y124-N128 WeakPolarHBondContact O-CB 3.16Å; Y124-N128 PolarHBondContact O-N 3.5Å; Y124-N128 PolarHBondContact O-ND2 2.9Å; F125-N128 PolarHBondContact O-N 2.82Å; N128-P130 VanDerWaalsContact O-CD 3.27Å; N128-P130 WeakPolarHBondContact O-CD 3.46Å
129	S	45.8	Very low	51.9	Low	32 Å²	32	92.6 Å²	92.6	22%	0.224	48%	0.481	C	S	.	.			trans	-78.9	116.7	172.2	-177.7	0	0	0	0	109.6	F125 Y131	F125-S129 WeakPolarHBondContact O-CB 3.03Å; F125-S129 PolarHBondContact O-N 3.38Å; S129-Y131 PolarHBondContact O-N 3.43Å; S129-Y131 PolarHBondContact OG-N 2.93Å; S129-Y131 PolarHBondContact OG-O 3.24Å
130	P	42.9	Very low	51.2	Low	117 Å²	117	94.3 Å²	94.3	76%	0.76	49%	0.485	S	S	*	.	S	Bend	trans	-66.9	-14.3	174.8	27.2	-32.8	0	0	0	112.5	N128	N128-P130 VanDerWaalsContact O-CD 3.27Å; N128-P130 WeakPolarHBondContact O-CD 3.46Å
131	Y	46.6	Very low	50.5	Low	194 Å²	194	98.5 Å²	98.5	76%	0.761	51%	0.509	S	S	*	.	S	Bend	trans	-105.5	98.3	171.9	-56.2	-80.2	0	0	0	107.4	S129 I133	S129-Y131 PolarHBondContact O-N 3.43Å; S129-Y131 PolarHBondContact OG-N 2.93Å; S129-Y131 PolarHBondContact OG-O 3.24Å; Y131-I133 PolarHBondContact O-N 3.27Å
132	G	41.6	Very low	49.8	Very low	64 Å²	64	104.4 Å²	104.4	66%	0.66	54%	0.536	S	S	*	.			trans	-52.1	141.4	172.6	0	0	0	0	0	110.7	Q134	G132-Q134 PolarHBondContact O-N 3.19Å; G132-Q134 VanDerWaalsContact O-N 3.15Å
133	I	41	Very low	49	Very low	110 Å²	110	106.1 Å²	106.1	56%	0.564	55%	0.549	S	S	*	.			trans	-57.4	115.8	174.6	-57	168.7	0	0	0	107.7	F125 I126 Y131	F125-I133 HydrophobicContact CD1-CD1 4.07Å; F125-I133 HydrophobicContact CD1-CG1 4.31Å; F125-I133 HydrophobicContact CE1-CD1 4.16Å; F125-I133 HydrophobicContact CE1-CG1 3.95Å; I126-I133 HydrophobicContact CG1-CD1 3.89Å; Y131-I133 PolarHBondContact O-N 3.27Å
134	Q	31.2	Very low	47.8	Very low	253 Å²	253	110.8 Å²	110.8	100%	1.182	58%	0.577	S	S	*	*			trans	-81.9	0	158.4	-78.8	-174.3	-24.9	0	0	108.9	G132	G132-Q134 PolarHBondContact O-N 3.19Å; G132-Q134 VanDerWaalsContact O-N 3.15Å

Retrieved 134 of 134 residues in 59.3 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).