A0A077ZFE1_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZFE1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 190 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	27.3	Very low	22.7	Very low	247 Å²	247	145.8 Å²	145.8	100%	1.217	82%	0.815	S	S	*	*				0	106.9	0	-89.7	-179	174.1	0	0	107
2	T	22.6	Very low	22.7	Very low	130 Å²	130	143.8 Å²	143.8	80%	0.798	81%	0.808	S	S	*	*			trans	-141.7	111.3	178.7	-31.8	0	0	0	0	107.6
3	V	23.6	Very low	22.8	Very low	131 Å²	131	138.9 Å²	138.9	79%	0.794	80%	0.798	S	S	*	*			trans	-72.3	127.6	167.1	173.4	0	0	0	0	106.7	T5	V3-T5 HydrophobicContact CG1-CG2 4.35Å
4	V	21.2	Very low	22.7	Very low	125 Å²	125	136.2 Å²	136.2	76%	0.758	79%	0.787	S	S	*	*			trans	-121.6	102.9	167.4	-177.7	0	0	0	0	108.4
5	T	24.2	Very low	23	Very low	123 Å²	123	135.3 Å²	135.3	76%	0.755	79%	0.788	S	S	*	*			trans	-71.8	126	161.3	43.7	0	0	0	0	110	V3	V3-T5 HydrophobicContact CG1-CG2 4.35Å
6	S	22.7	Very low	23.2	Very low	103 Å²	103	134.1 Å²	134.1	72%	0.72	78%	0.783	S	S	*	*			trans	179.6	142.2	166.9	-179.3	0	0	0	0	108.8
7	L	20.4	Very low	23.3	Very low	138 Å²	138	131.4 Å²	131.4	72%	0.723	77%	0.77	S	S	*	*			cis	-156.5	136	-19.5	-140.2	88.9	0	0	0	103.5	H9	L7-H9 PolarHBondContact O-N 2.78Å
8	K	21.9	Very low	23.7	Very low	199 Å²	199	130.4 Å²	130.4	87%	0.865	76%	0.761	S	S	*	*			trans	-73.8	105.6	175.7	-70.9	174.7	175.7	176.2	0	110.2
9	H	23	Very low	23.7	Very low	165 Å²	165	131.9 Å²	131.9	76%	0.764	76%	0.76	S	S	*	*			trans	-147.6	102.7	152.4	-75.8	103.2	0	0	0	110.4	L7	L7-H9 PolarHBondContact O-N 2.78Å
10	S	20.8	Very low	23.8	Very low	108 Å²	108	133.1 Å²	133.1	76%	0.755	76%	0.763	S	S	*	*			trans	-77	117.3	165.7	167.3	0	0	0	0	108.1
11	V	22	Very low	23.9	Very low	135 Å²	135	134.9 Å²	134.9	82%	0.818	76%	0.759	S	S	*	*			trans	-109.5	97.1	163.2	-178.6	0	0	0	0	106.8	A13	V11-A13 PolarHBondContact O-N 3Å; V11-A13 VanDerWaalsContact O-N 3.14Å
12	V	22.7	Very low	23.9	Very low	121 Å²	121	127.7 Å²	127.7	73%	0.733	73%	0.729	S	S	*	*			trans	-69	102.5	170.1	-179.6	0	0	0	0	107.1
13	A	23.8	Very low	24.2	Very low	81 Å²	81	126.4 Å²	126.4	67%	0.669	73%	0.725	S	S	*	*			trans	-66.1	130.5	165.6	0	0	0	0	0	108.4	V11	V11-A13 PolarHBondContact O-N 3Å; V11-A13 VanDerWaalsContact O-N 3.14Å
14	P	22.1	Very low	24.5	Very low	101 Å²	101	127.5 Å²	127.5	66%	0.656	72%	0.715	S	S	*	*			trans	-63.6	147.6	179.9	26	-31.7	0	0	0	110.1	V16	P14-V16 PolarHBondContact O-N 2.88Å
15	P	26.5	Very low	24.9	Very low	123 Å²	123	125.2 Å²	125.2	80%	0.799	70%	0.701	S	S	*	*			trans	-62.3	107.3	177	26.2	-31.7	0	0	0	108.2	P17	P15-P17 VanDerWaalsContact O-CD 3.29Å; P15-P17 WeakPolarHBondContact O-CD 3.29Å
16	V	25.7	Very low	25.1	Very low	115 Å²	115	121.7 Å²	121.7	70%	0.697	68%	0.675	S	S	*	*			trans	-64.8	118.7	171.5	-175	0	0	0	0	106.1	P14 L18	P14-V16 PolarHBondContact O-N 2.88Å; V16-L18 PolarHBondContact O-N 2.98Å
17	P	25.4	Very low	25.3	Very low	89 Å²	89	123.5 Å²	123.5	58%	0.578	67%	0.672	S	S	*	*			trans	-63.8	110	176.3	25.4	-30.2	0	0	0	107.1	P15 Q19	P15-P17 VanDerWaalsContact O-CD 3.29Å; P15-P17 WeakPolarHBondContact O-CD 3.29Å; P17-Q19 HydrophobicContact CB-CG 4.13Å; P17-Q19 PolarHBondContact O-N 3.12Å
18	L	29.9	Very low	25.6	Very low	114 Å²	114	122.1 Å²	122.1	60%	0.597	66%	0.662	S	S	*	*			trans	-73.3	68.5	178	-65.5	152.7	0	0	0	108.9	V16 Y21	V16-L18 PolarHBondContact O-N 2.98Å; L18-Y21 HydrophobicContact CB-CD2 4.2Å; L18-Y21 HydrophobicContact CB-CE2 3.33Å; L18-Y21 HydrophobicContact CD1-CE2 4.18Å; L18-Y21 WeakPolarHBondContact CD1-OH 3.38Å; L18-Y21 HydrophobicContact CD2-CE2 4.37Å; L18-Y21 WeakPolarHBondContact CD2-OH 3.49Å; L18-Y21 HydrophobicContact CG-CE2 4.14Å
19	Q	23.7	Very low	25.8	Very low	158 Å²	158	117.4 Å²	117.4	74%	0.738	65%	0.654	S	S	*	*			trans	-86.6	-1.2	-171	-89.7	179.7	-9.2	0	0	114.5	P17	P17-Q19 HydrophobicContact CB-CG 4.13Å; P17-Q19 PolarHBondContact O-N 3.12Å
20	N	25.9	Very low	25.9	Very low	155 Å²	155	117.8 Å²	117.8	83%	0.829	66%	0.656	S	S	*	*			trans	-136.6	60.7	-174.3	-66.1	-47.7	0	0	0	112.6
21	Y	27	Very low	26.3	Very low	172 Å²	172	117.8 Å²	117.8	68%	0.675	66%	0.663	S	S	*	*			trans	-82.1	125.2	165.2	-71.9	-74.6	0	0	0	110	L18	L18-Y21 HydrophobicContact CB-CD2 4.2Å; L18-Y21 HydrophobicContact CB-CE2 3.33Å; L18-Y21 HydrophobicContact CD1-CE2 4.18Å; L18-Y21 WeakPolarHBondContact CD1-OH 3.38Å; L18-Y21 HydrophobicContact CD2-CE2 4.37Å; L18-Y21 WeakPolarHBondContact CD2-OH 3.49Å; L18-Y21 HydrophobicContact CG-CE2 4.14Å
22	V	27.1	Very low	26.7	Very low	96 Å²	96	116.2 Å²	116.2	58%	0.582	66%	0.658	S	S	*	*			trans	-116.8	103.3	163.9	-166.1	0	0	0	0	107.6	W24	V22-W24 HydrophobicContact CG1-CD2 4.16Å; V22-W24 HydrophobicContact CG1-CG 4.46Å; V22-W24 HydrophobicContact CG1-CZ2 3.58Å
23	S	29.2	Very low	26.9	Very low	103 Å²	103	119.6 Å²	119.6	72%	0.72	67%	0.665	S	S	*	*			trans	-91.4	128	170	-177.9	0	0	0	0	108.3
24	W	29.3	Very low	27.2	Very low	153 Å²	153	122.5 Å²	122.5	58%	0.58	68%	0.675	S	S	*	*			trans	-110.6	115.7	175.8	-62.5	94.7	0	0	0	109	V22 F26	V22-W24 HydrophobicContact CG1-CD2 4.16Å; V22-W24 HydrophobicContact CG1-CG 4.46Å; V22-W24 HydrophobicContact CG1-CZ2 3.58Å; W24-F26 HydrophobicContact CB-CD2 4.33Å; W24-F26 HydrophobicContact CB-CE2 3.59Å; W24-F26 HydrophobicContact CB-CZ 3.79Å; W24-F26 HydrophobicContact CG-CZ 4.34Å
25	V	28.9	Very low	27.7	Very low	77 Å²	77	123.3 Å²	123.3	47%	0.467	68%	0.683	S	S	.	*			trans	-98.2	111.9	170.5	-179.6	0	0	0	0	107.4
26	F	28.5	Very low	27.8	Very low	50 Å²	50	126 Å²	126	22%	0.219	69%	0.685	C	S	.	*			trans	-91.5	128.9	174.3	-62	-80.9	0	0	0	109.9	W24 L55 L57 H117	W24-F26 HydrophobicContact CB-CD2 4.33Å; W24-F26 HydrophobicContact CB-CE2 3.59Å; W24-F26 HydrophobicContact CB-CZ 3.79Å; W24-F26 HydrophobicContact CG-CZ 4.34Å; F26-L55 HydrophobicContact CD2-CB 4.11Å; F26-L57 HydrophobicContact CE2-CD1 4.5Å; F26-H117 AromaticContact CD1-CD2 3.82Å; F26-H117 HydrophobicContact CE1-CB 3.85Å; F26-H117 AromaticContact CE1-CD2 3.61Å; F26-H117 HydrophobicContact CZ-CB 3.98Å
27	H	26.8	Very low	28.3	Very low	140 Å²	140	127.7 Å²	127.7	65%	0.648	69%	0.685	S	S	*	*			trans	-99.9	115.2	170.5	-69.9	-83.2	0	0	0	108.3	S29	H27-S29 VanDerWaalsContact C-N 3.32Å; H27-S29 PolarHBondContact O-N 3.07Å
28	E	27.5	Very low	28.8	Very low	109 Å²	109	131.8 Å²	131.8	51%	0.509	69%	0.694	S	S	.	*			trans	-69.9	96.2	165.7	-158.2	179	-177.7	0	0	107.2	K109	E28-K109 IonicContact OE1-NZ 3.07Å; E28-K109 PolarHBondContact OE1-NZ 3.36Å
29	S	25.5	Very low	29.2	Very low	100 Å²	100	132.3 Å²	132.3	70%	0.699	71%	0.707	S	S	*	*			trans	-83.5	121.9	166.1	-58.6	0	0	0	0	106.6	H27 A31	H27-S29 VanDerWaalsContact C-N 3.32Å; H27-S29 PolarHBondContact O-N 3.07Å; S29-A31 PolarHBondContact O-N 3.08Å
30	E	26.4	Very low	29.8	Very low	173 Å²	173	131.9 Å²	131.9	81%	0.808	71%	0.705	S	S	*	*			trans	-53.1	103.2	175.7	-67.8	-179.3	144.2	0	0	109.3	S32	E30-S32 PolarHBondContact O-N 2.97Å
31	A	27.9	Very low	30.2	Very low	108 Å²	108	132.8 Å²	132.8	89%	0.893	70%	0.701	S	S	*	*			trans	-71.2	64.8	161.9	0	0	0	0	0	108.1	S29	S29-A31 PolarHBondContact O-N 3.08Å
32	S	30.7	Very low	30.8	Very low	102 Å²	102	132.7 Å²	132.7	71%	0.713	71%	0.711	S	S	*	*			trans	-113.7	64.1	175.2	-144.8	0	0	0	0	108.4	E30	E30-S32 PolarHBondContact O-N 2.97Å
33	Q	27.8	Very low	31.1	Very low	192 Å²	192	131.2 Å²	131.2	90%	0.897	71%	0.709	S	S	*	*			trans	-119.2	52.1	162.4	-78.5	-164.9	10.4	0	0	109.6
34	V	29.1	Very low	31.2	Very low	143 Å²	143	138.7 Å²	138.7	87%	0.867	72%	0.721	S	S	*	*	S	Bend	trans	-151.2	90	162.9	-167.9	0	0	0	0	109.2
35	S	32.3	Very low	31.5	Very low	117 Å²	117	135.5 Å²	135.5	82%	0.818	72%	0.722	S	S	*	*			trans	151	91.6	153.3	178.4	0	0	0	0	110.1
36	Q	30.4	Very low	31.7	Very low	181 Å²	181	139.8 Å²	139.8	85%	0.846	74%	0.737	S	S	*	*			trans	-59.2	149.5	162.1	-76.7	170.6	-64.5	0	0	111.3
37	E	34.1	Very low	31.7	Very low	149 Å²	149	145 Å²	145	70%	0.696	77%	0.766	S	S	*	*			trans	120	121.6	143.1	-83.2	-165.7	85.2	0	0	117
38	K	36.9	Very low	31.8	Very low	176 Å²	176	145.7 Å²	145.7	77%	0.765	78%	0.775	S	S	*	*			trans	63.5	102.1	154	-69.5	-178.5	176.5	99.6	0	116.8
39	S	39.1	Very low	31.9	Very low	125 Å²	125	145.9 Å²	145.9	87%	0.874	78%	0.783	S	S	*	*				176.2	141.6	82.5	-144	0	0	0	0	110.9
40	E	36.3	Very low	32.1	Very low	149 Å²	149	145.5 Å²	145.5	70%	0.696	79%	0.786	S	S	*	*			trans	-61.2	152.2	179.7	-88.1	175.8	93.3	0	0	114.8
41	K	32.7	Very low	32.4	Very low	174 Å²	174	145.9 Å²	145.9	76%	0.757	79%	0.785	S	S	*	*			trans	70.3	75.6	146.2	-73.5	166.1	178.3	138.7	0	118.3
42	I	39.7	Very low	32.5	Very low	170 Å²	170	142.6 Å²	142.6	87%	0.872	76%	0.756	S	S	*	*			trans	-140.7	123.7	143.6	-56.7	-178.4	0	0	0	110.2
43	A	35.2	Very low	32.7	Very low	65 Å²	65	138.9 Å²	138.9	54%	0.537	73%	0.73	S	S	.	*			trans	61.7	92.6	156.9	0	0	0	0	0	119.9	S45	A43-S45 PolarHBondContact O-N 3.28Å
44	R	30.9	Very low	33.1	Very low	259 Å²	259	132.5 Å²	132.5	98%	0.977	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.7	82.7	143.8	-72.4	173.7	169.8	164.7	-4.2	109.9
45	S	34.1	Very low	33.4	Very low	87 Å²	87	126.9 Å²	126.9	61%	0.608	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-159.3	9.8	161.5	73.9	0	0	0	0	116.1	A43	A43-S45 PolarHBondContact O-N 3.28Å
46	H	33.9	Very low	33.7	Very low	167 Å²	167	122.3 Å²	122.3	77%	0.773	63%	0.632	S	S	*	*			trans	-122.6	17.2	-176.5	-73.4	-74.1	0	0	0	115.6
47	L	28.6	Very low	34.2	Very low	159 Å²	159	115.5 Å²	115.5	83%	0.832	60%	0.602	S	S	*	*			trans	-80.2	131.7	164.4	-87.7	106.6	0	0	0	109.8
48	N	28.4	Very low	34.7	Very low	155 Å²	155	110.4 Å²	110.4	83%	0.829	58%	0.576	S	S	*	*	S	Bend	trans	87.9	93.5	-172.1	-50.5	-20.8	0	0	0	111.5
49	T	30.8	Very low	34.7	Very low	112 Å²	112	107.3 Å²	107.3	69%	0.687	56%	0.564	S	S	*	*			cis	-171.4	117.4	39.8	-46.7	0	0	0	0	104.5	K51	T49-K51 VanDerWaalsContact C-N 3.29Å; T49-K51 PolarHBondContact O-N 3.25Å
50	A	29.4	Very low	34.6	Very low	92 Å²	92	101.3 Å²	101.3	76%	0.76	52%	0.522	S	S	*	.			trans	-58.7	103.3	161.7	0	0	0	0	0	105.8	S52	A50-S52 PolarHBondContact O-N 3.05Å
51	K	32.9	Very low	34.3	Very low	181 Å²	181	95.7 Å²	95.7	79%	0.787	51%	0.505	S	S	*	.			trans	-66.5	107.5	-176.4	-75.1	-177.2	178.7	179.6	0	106.7	T49 S53	T49-K51 VanDerWaalsContact C-N 3.29Å; T49-K51 PolarHBondContact O-N 3.25Å; K51-S53 PolarHBondContact O-N 2.78Å; K51-S53 VanDerWaalsContact O-N 3.1Å
52	S	30.2	Very low	34.2	Very low	39 Å²	39	90.9 Å²	90.9	27%	0.273	50%	0.504	S	S	.	.			trans	-47.4	116.2	173.2	162.4	0	0	0	0	109.7	A50 Q54	A50-S52 PolarHBondContact O-N 3.05Å; S52-Q54 VanDerWaalsContact C-N 3.3Å; S52-Q54 PolarHBondContact O-N 3.15Å; S52-Q54 WeakPolarHBondContact OG-CG 3.39Å
53	S	34.1	Very low	33.8	Very low	24 Å²	24	85.2 Å²	85.2	17%	0.168	49%	0.488	C	S	.	.			trans	-70.7	88.7	168.5	21.9	0	0	0	0	107.6	K51	K51-S53 PolarHBondContact O-N 2.78Å; K51-S53 VanDerWaalsContact O-N 3.1Å
54	Q	35.3	Very low	33.5	Very low	58 Å²	58	86.5 Å²	86.5	27%	0.271	49%	0.485	S	S	.	.			trans	-78	125.4	177.1	-70.4	179.8	-45.4	0	0	109.7	S52 C75	S52-Q54 VanDerWaalsContact C-N 3.3Å; S52-Q54 PolarHBondContact O-N 3.15Å; S52-Q54 WeakPolarHBondContact OG-CG 3.39Å; Q54-C75 PolarHBondContact O-SG 3.03Å
55	L	36.4	Very low	33.6	Very low	25 Å²	25	77.2 Å²	77.2	13%	0.131	46%	0.456	C	S	.	.			trans	-92.8	111.9	173.1	-136.5	107.4	0	0	0	108.1	F26 L57 F97	F26-L55 HydrophobicContact CD2-CB 4.11Å; L55-L57 HydrophobicContact CD2-CD1 4.13Å; L55-L57 HydrophobicContact CD2-CG 4.39Å; L55-F97 HydrophobicContact CD2-CD1 3.88Å; L55-F97 HydrophobicContact CD2-CE1 4.12Å
56	C	38.5	Very low	33.3	Very low	21 Å²	21	79.8 Å²	79.8	14%	0.142	45%	0.454	C	S	.	.			trans	-79.6	123.1	169.3	-98.3	0	0	0	0	108.4	C69 C71 C98	C56-C69 HydrophobicContact CB-CB 4.32Å; C56-C69 WeakPolarHBondContact CB-SG 3.36Å; C56-C69 WeakPolarHBondContact SG-CB 3.41Å; C56-C69 CovalentContact SG-SG 2.08Å; C56-C69 PolarHBondContact SG-SG 3.15Å; C56-C71 PolarHBondContact SG-SG 3.16Å; C56-C98 HydrophobicContact CB-CB 4.33Å
57	L	40.7	Very low	33.2	Very low	38 Å²	38	77 Å²	77	20%	0.199	45%	0.453	C	S	.	.			trans	-112.9	129.4	169	-85.6	142.4	0	0	0	108.7	F26 L55 Y95 L118	F26-L57 HydrophobicContact CE2-CD1 4.5Å; L55-L57 HydrophobicContact CD2-CD1 4.13Å; L55-L57 HydrophobicContact CD2-CG 4.39Å; L57-Y95 HydrophobicContact CD2-CD1 3.76Å; L57-L118 HydrophobicContact CD1-CD1 4.23Å; L57-L118 HydrophobicContact CD1-CD2 4.21Å; L57-L118 HydrophobicContact CD1-CG 4.41Å; L57-L118 HydrophobicContact CD2-CD1 3.76Å; L57-L118 HydrophobicContact CD2-CD2 3.61Å; L57-L118 HydrophobicContact CD2-CG 4.24Å; L57-L118 HydrophobicContact CG-CD1 4.5Å
58	R	44.1	Very low	33.3	Very low	42 Å²	42	73.4 Å²	73.4	16%	0.158	45%	0.446	C	S	.	.			trans	-117.8	145	173.9	-66	-160.1	-173.1	139.5	1.2	111.2	Y66 S67 A68 V96	R58-Y66 WeakPolarHBondContact CD-O 3.17Å; R58-Y66 PolarHBondContact NE-O 3.07Å; R58-Y66 VanDerWaalsContact NE-O 3.08Å; R58-Y66 PolarHBondContact NH1-O 2.96Å; R58-S67 VanDerWaalsContact NH1-CA 3.32Å; R58-A68 PolarHBondContact NE-O 2.89Å; R58-A68 VanDerWaalsContact NH2-N 3.15Å; R58-A68 PolarHBondContact NH2-O 3.22Å; R58-V96 HydrophobicContact CB-CB 4.26Å; R58-V96 HydrophobicContact CB-CG2 4.28Å
59	H	38	Very low	33.7	Very low	111 Å²	111	66.6 Å²	66.6	51%	0.514	41%	0.411	S	S	.	.			trans	-96.3	130.8	165.9	-179.6	-93.6	0	0	0	108.3	M93	H59-M93 PolarHBondContact CD2-SD 3.47Å; H59-M93 PolarHBondContact NE2-SD 2.91Å
60	C	37.1	Very low	33.9	Very low	0 Å²	0	69.6 Å²	69.6	0%	0	42%	0.423	C	S	.	.			trans	-101.6	105.6	170.7	-60.8	0	0	0	0	107.9	I64 V65 C94	C60-I64 WeakPolarHBondContact CA-O 3.33Å; C60-I64 WeakPolarHBondContact CB-O 3.16Å; C60-V65 VanDerWaalsContact SG-CG2 3.58Å; C60-C94 HydrophobicContact CB-CB 3.7Å; C60-C94 VanDerWaalsContact SG-CB 3.53Å
61	G	30.1	Very low	34.4	Very low	31 Å²	31	66.1 Å²	66.1	32%	0.32	39%	0.393	S	S	.	.	S	Bend	trans	-77	133.9	165.4	0	0	0	0	0	108.8	G63 I64	G61-G63 VanDerWaalsContact C-N 3.27Å; G61-G63 PolarHBondContact O-N 3.13Å; G61-G63 VanDerWaalsContact O-N 3.12Å; G61-I64 PolarHBondContact O-N 3.17Å; G61-I64 VanDerWaalsContact O-N 3.16Å
62	G	30.8	Very low	34.9	Very low	73 Å²	73	66.4 Å²	66.4	75%	0.753	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	63	22.2	168.9	0	0	0	0	0	116.5	I64	G62-I64 VanDerWaalsContact C-N 3.31Å; G62-I64 PolarHBondContact O-N 3.27Å
63	G	30.2	Very low	35.5	Very low	51 Å²	51	72 Å²	72	53%	0.526	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.1	0.5	-178.6	0	0	0	0	0	115	G61	G61-G63 VanDerWaalsContact C-N 3.27Å; G61-G63 PolarHBondContact O-N 3.13Å; G61-G63 VanDerWaalsContact O-N 3.12Å
64	I	29.2	Very low	35.6	Very low	92 Å²	92	78.6 Å²	78.6	47%	0.472	44%	0.442	S	S	.	.			trans	-95	118.8	-180	-56.4	175.7	0	0	0	109.9	C60 G61 G62 Y66	C60-I64 WeakPolarHBondContact CA-O 3.33Å; C60-I64 WeakPolarHBondContact CB-O 3.16Å; G61-I64 PolarHBondContact O-N 3.17Å; G61-I64 VanDerWaalsContact O-N 3.16Å; G62-I64 VanDerWaalsContact C-N 3.31Å; G62-I64 PolarHBondContact O-N 3.27Å; I64-Y66 HydrophobicContact CB-CE2 4.1Å; I64-Y66 HydrophobicContact CG2-CD2 4.1Å; I64-Y66 HydrophobicContact CG2-CE1 4.26Å; I64-Y66 HydrophobicContact CG2-CE2 3.79Å; I64-Y66 HydrophobicContact CG2-CG 4.46Å; I64-Y66 PolarHBondContact O-N 2.93Å
65	V	32.4	Very low	35.9	Very low	63 Å²	63	76.2 Å²	76.2	38%	0.382	43%	0.431	S	S	.	.			trans	-85.7	99.2	170.8	-175.9	0	0	0	0	108.2	C60 S67 V96	C60-V65 VanDerWaalsContact SG-CG2 3.58Å; V65-S67 PolarHBondContact O-N 3.37Å; V65-V96 HydrophobicContact CG1-CG2 4.38Å
66	Y	28.7	Very low	36.2	Very low	141 Å²	141	77.8 Å²	77.8	55%	0.553	44%	0.44	S	S	*	.			trans	-70	119.8	173.5	-72.2	-84.4	0	0	0	110.3	R58 I64 A68	R58-Y66 WeakPolarHBondContact CD-O 3.17Å; R58-Y66 PolarHBondContact NE-O 3.07Å; R58-Y66 VanDerWaalsContact NE-O 3.08Å; R58-Y66 PolarHBondContact NH1-O 2.96Å; I64-Y66 HydrophobicContact CB-CE2 4.1Å; I64-Y66 HydrophobicContact CG2-CD2 4.1Å; I64-Y66 HydrophobicContact CG2-CE1 4.26Å; I64-Y66 HydrophobicContact CG2-CE2 3.79Å; I64-Y66 HydrophobicContact CG2-CG 4.46Å; I64-Y66 PolarHBondContact O-N 2.93Å; Y66-A68 PolarHBondContact O-N 3.49Å
67	S	32.4	Very low	36.5	Very low	109 Å²	109	78.8 Å²	78.8	76%	0.762	45%	0.447	S	S	*	.			trans	-76.2	47.4	-179.1	58.5	0	0	0	0	114.5	R58 V65	R58-S67 VanDerWaalsContact NH1-CA 3.32Å; V65-S67 PolarHBondContact O-N 3.37Å
68	A	28.9	Very low	36.7	Very low	83 Å²	83	80.6 Å²	80.6	69%	0.686	46%	0.463	S	S	*	.			trans	-104.3	90.2	172	0	0	0	0	0	110.4	R58 Y66	R58-A68 PolarHBondContact NE-O 2.89Å; R58-A68 VanDerWaalsContact NH2-N 3.15Å; R58-A68 PolarHBondContact NH2-O 3.22Å; Y66-A68 PolarHBondContact O-N 3.49Å
69	C	37	Very low	36.5	Very low	12 Å²	12	83.7 Å²	83.7	8%	0.081	47%	0.474	C	S	.	.			trans	-130.3	105.3	165.4	177.7	0	0	0	0	99.9	C56 C71	C56-C69 HydrophobicContact CB-CB 4.32Å; C56-C69 WeakPolarHBondContact CB-SG 3.36Å; C56-C69 WeakPolarHBondContact SG-CB 3.41Å; C56-C69 CovalentContact SG-SG 2.08Å; C56-C69 PolarHBondContact SG-SG 3.15Å; C69-C71 PolarHBondContact O-N 3.33Å; C69-C71 WeakPolarHBondContact SG-CB 3.49Å; C69-C71 PolarHBondContact SG-SG 2.97Å
70	D	36.6	Very low	36.7	Very low	175 Å²	175	79.1 Å²	79.1	94%	0.936	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	34.1	178.7	-151.8	15.4	0	0	0	110.3
71	C	39.6	Very low	36.8	Very low	20 Å²	20	79.8 Å²	79.8	14%	0.135	46%	0.46	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.7	21.6	-173.7	-39.9	0	0	0	0	109.6	C56 C69 D73 R74 C75	C56-C71 PolarHBondContact SG-SG 3.16Å; C69-C71 PolarHBondContact O-N 3.33Å; C69-C71 WeakPolarHBondContact SG-CB 3.49Å; C69-C71 PolarHBondContact SG-SG 2.97Å; C71-D73 PolarHBondContact O-N 3.34Å; C71-R74 CarbonylContact O-C 3.59Å; C71-R74 PolarHBondContact O-N 2.79Å; C71-C75 HydrophobicContact CB-CB 3.83Å; C71-C75 PolarHBondContact O-N 2.73Å
72	K	42.8	Very low	37.5	Very low	187 Å²	187	82.1 Å²	82.1	81%	0.813	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.5	-30.4	176.2	-74.1	-173.6	176.6	-177.9	0	112.2
73	D	42.5	Very low	38	Very low	156 Å²	156	81.7 Å²	81.7	83%	0.834	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-6.8	-180	-55.9	-27.6	0	0	0	114.4	C71	C71-D73 PolarHBondContact O-N 3.34Å
74	R	37.4	Very low	38.4	Very low	162 Å²	162	84.5 Å²	84.5	61%	0.611	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133	-13.7	-169.6	-61.4	-171.5	-177.9	-167.1	1.2	114.9	C71	C71-R74 CarbonylContact O-C 3.59Å; C71-R74 PolarHBondContact O-N 2.79Å
75	C	39.9	Very low	38.9	Very low	8 Å²	8	87.2 Å²	87.2	5%	0.054	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	123.5	-174.7	-67.5	0	0	0	0	109.5	Q54 C71 C77 C98	Q54-C75 PolarHBondContact O-SG 3.03Å; C71-C75 HydrophobicContact CB-CB 3.83Å; C71-C75 PolarHBondContact O-N 2.73Å; C75-C77 PolarHBondContact O-N 3.33Å; C75-C98 HydrophobicContact CB-CB 3.71Å
76	D	43.7	Very low	39	Very low	59 Å²	59	85.8 Å²	85.8	32%	0.316	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	92.3	170.5	-176.9	6.5	0	0	0	109.2	S78 R79 I101	D76-S78 VanDerWaalsContact CG-OG 3.24Å; D76-S78 PolarHBondContact O-N 2.86Å; D76-S78 WeakPolarHBondContact OD1-CB 3.32Å; D76-S78 PolarHBondContact OD1-N 2.76Å; D76-S78 PolarHBondContact OD1-OG 3Å; D76-S78 PolarHBondContact OD2-OG 3.23Å; D76-R79 PolarHBondContact O-N 3.21Å; D76-R79 WeakPolarHBondContact OD2-CD 3.27Å; D76-R79 WeakPolarHBondContact OD2-CG 3.25Å; D76-I101 HydrophobicContact CB-CG1 4.27Å
77	C	45.4	Very low	39.4	Very low	41 Å²	41	84.1 Å²	84.1	28%	0.277	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	-2.8	176.7	-62.5	0	0	0	0	113	C75 R79 A80 C98	C75-C77 PolarHBondContact O-N 3.33Å; C77-R79 PolarHBondContact O-N 2.83Å; C77-A80 VanDerWaalsContact O-CB 3.28Å; C77-A80 WeakPolarHBondContact O-CB 3.49Å; C77-A80 PolarHBondContact O-N 3.35Å; C77-C98 HydrophobicContact CB-CB 4.2Å; C77-C98 WeakPolarHBondContact CB-SG 3.25Å; C77-C98 WeakPolarHBondContact SG-CB 3.43Å; C77-C98 CovalentContact SG-SG 2.07Å; C77-C98 PolarHBondContact SG-SG 3.18Å
78	S	44.4	Very low	39.4	Very low	76 Å²	76	84 Å²	84	53%	0.531	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	-22.7	168.9	76.5	0	0	0	0	111.4	D76 P148	D76-S78 VanDerWaalsContact CG-OG 3.24Å; D76-S78 PolarHBondContact O-N 2.86Å; D76-S78 WeakPolarHBondContact OD1-CB 3.32Å; D76-S78 PolarHBondContact OD1-N 2.76Å; D76-S78 PolarHBondContact OD1-OG 3Å; D76-S78 PolarHBondContact OD2-OG 3.23Å; S78-P148 WeakPolarHBondContact O-CB 3.47Å
79	R	38.7	Very low	39.8	Very low	107 Å²	107	83.6 Å²	83.6	40%	0.404	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	18.9	178.8	-54.2	-175	71	-167.8	2.7	113	D76 C77 V81 M99 R107	D76-R79 PolarHBondContact O-N 3.21Å; D76-R79 WeakPolarHBondContact OD2-CD 3.27Å; D76-R79 WeakPolarHBondContact OD2-CG 3.25Å; C77-R79 PolarHBondContact O-N 2.83Å; R79-V81 PolarHBondContact O-N 2.8Å; R79-M99 HydrophobicContact CB-CE 3.54Å; R79-M99 HydrophobicContact CG-CE 4.42Å; R79-R107 VanDerWaalsContact NH1-CZ 3.33Å
80	A	42.3	Very low	39.7	Very low	16 Å²	16	86.8 Å²	86.8	13%	0.132	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	125.8	-173.4	0	0	0	0	0	112.1	C77 K82 V96 F97	C77-A80 VanDerWaalsContact O-CB 3.28Å; C77-A80 WeakPolarHBondContact O-CB 3.49Å; C77-A80 PolarHBondContact O-N 3.35Å; A80-K82 PolarHBondContact O-N 3.24Å; A80-V96 HydrophobicContact CB-CB 4.47Å; A80-V96 HydrophobicContact CB-CG1 3.33Å; A80-F97 VanDerWaalsContact CA-O 3.31Å; A80-F97 WeakPolarHBondContact CA-O 3.43Å
81	V	39.8	Very low	39.6	Very low	13 Å²	13	84.1 Å²	84.1	8%	0.079	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	124.3	176.6	-173.3	0	0	0	0	108.9	R79 F83 Y95 V96 F97 V146	R79-V81 PolarHBondContact O-N 2.8Å; V81-F83 HydrophobicContact CB-CE2 3.91Å; V81-F83 HydrophobicContact CG1-CD2 3.94Å; V81-F83 HydrophobicContact CG1-CE1 4.46Å; V81-F83 HydrophobicContact CG1-CE2 3.26Å; V81-F83 HydrophobicContact CG1-CZ 3.52Å; V81-Y95 CarbonylContact C-O 3.54Å; V81-Y95 CarbonylContact O-C 3.55Å; V81-V96 WeakPolarHBondContact O-CA 3.44Å; V81-F97 HydrophobicContact CB-CB 4.42Å; V81-F97 HydrophobicContact CB-CD2 4.44Å; V81-F97 PolarHBondContact O-N 3.38Å; V81-V146 HydrophobicContact CB-CG1 3.94Å; V81-V146 HydrophobicContact CG1-CG1 3.57Å; V81-V146 HydrophobicContact CG1-CG2 4.47Å; V81-V146 HydrophobicContact CG2-CB 4.37Å; V81-V146 HydrophobicContact CG2-CG1 3.71Å; V81-V146 HydrophobicContact CG2-CG2 4.41Å
82	K	44.3	Very low	39.5	Very low	80 Å²	80	84.2 Å²	84.2	35%	0.348	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	113.2	174.4	-167.6	-177	-174.7	-179.5	0	109.8	A80 L84 C94 Y95	A80-K82 PolarHBondContact O-N 3.24Å; K82-L84 HydrophobicContact CD-CD1 3.65Å; K82-L84 HydrophobicContact CD-CG 4Å; K82-L84 VanDerWaalsContact CE-CD1 3.42Å; K82-L84 HydrophobicContact CG-CD1 4.21Å; K82-L84 HydrophobicContact CG-CG 4.11Å; K82-C94 WeakPolarHBondContact CE-SG 3.14Å; K82-C94 HydrophobicContact CG-CB 3.85Å; K82-Y95 CarbonylContact C-O 3.55Å; K82-Y95 VanDerWaalsContact CA-O 3.23Å; K82-Y95 WeakPolarHBondContact CA-O 3.19Å
83	F	42.1	Very low	39.1	Very low	64 Å²	64	77.2 Å²	77.2	28%	0.281	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	104.6	169	-70.5	-87.9	0	0	0	110.1	V81 M93 C94 Y95 F97 F115 I139	V81-F83 HydrophobicContact CB-CE2 3.91Å; V81-F83 HydrophobicContact CG1-CD2 3.94Å; V81-F83 HydrophobicContact CG1-CE1 4.46Å; V81-F83 HydrophobicContact CG1-CE2 3.26Å; V81-F83 HydrophobicContact CG1-CZ 3.52Å; F83-M93 VanDerWaalsContact O-O 3.08Å; F83-C94 WeakPolarHBondContact O-CA 3.29Å; F83-Y95 HydrophobicContact CB-CD2 4.03Å; F83-Y95 PolarHBondContact N-O 2.86Å; F83-Y95 PolarHBondContact O-N 3.48Å; F83-F97 AromaticContact CD2-CD2 3.71Å; F83-F97 HydrophobicContact CD2-CD2 3.71Å; F83-F97 AromaticContact CD2-CE2 3.34Å; F83-F97 HydrophobicContact CD2-CE2 3.34Å; F83-F97 HydrophobicContact CD2-CZ 4.48Å; F83-F97 AromaticContact CE2-CD2 3.56Å; F83-F97 HydrophobicContact CE2-CD2 3.56Å; F83-F97 AromaticContact CE2-CE2 3.34Å; F83-F97 HydrophobicContact CE2-CE2 3.34Å; F83-F97 HydrophobicContact CE2-CZ 4.31Å; F83-F115 HydrophobicContact CE1-CZ 4.15Å; F83-F115 HydrophobicContact CE2-CE2 4.26Å; F83-F115 AromaticContact CE2-CZ 3.7Å; F83-F115 HydrophobicContact CE2-CZ 3.7Å; F83-F115 HydrophobicContact CZ-CE1 4.26Å; F83-F115 HydrophobicContact CZ-CE2 4.3Å; F83-F115 AromaticContact CZ-CZ 3.42Å; F83-F115 HydrophobicContact CZ-CZ 3.42Å; F83-F115 VanDerWaalsContact CZ-CZ 3.42Å; F83-I139 HydrophobicContact CZ-CD1 4.46Å
84	L	39.1	Very low	39	Very low	111 Å²	111	69.9 Å²	69.9	58%	0.581	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.3	131	-176.4	-97.9	157.9	0	0	0	113.3	K82 C94	K82-L84 HydrophobicContact CD-CD1 3.65Å; K82-L84 HydrophobicContact CD-CG 4Å; K82-L84 VanDerWaalsContact CE-CD1 3.42Å; K82-L84 HydrophobicContact CG-CD1 4.21Å; K82-L84 HydrophobicContact CG-CG 4.11Å; L84-C94 WeakPolarHBondContact CD2-SG 3.33Å
85	K	39.9	Very low	39.3	Very low	148 Å²	148	64.3 Å²	64.3	64%	0.643	35%	0.351	S	S	*	.			trans	86.7	95.3	153	-148.6	177.7	-177.6	-179.6	0	117.3	N87 M93	K85-N87 WeakPolarHBondContact CD-OD1 3.24Å; K85-N87 WeakPolarHBondContact CE-OD1 3.38Å; K85-N87 VanDerWaalsContact CG-OD1 3.31Å; K85-N87 WeakPolarHBondContact CG-OD1 3.49Å; K85-N87 PolarHBondContact O-N 3.22Å; K85-M93 PolarHBondContact N-O 3.3Å; K85-M93 VanDerWaalsContact N-O 3.08Å
86	N	33.8	Very low	39.5	Very low	33 Å²	33	64.5 Å²	64.5	18%	0.176	35%	0.352	C	S	.	.			trans	-74.3	105.9	153.5	-172.8	6.9	0	0	0	109.3	L88 M93	N86-L88 PolarHBondContact O-N 2.92Å; N86-L88 WeakPolarHBondContact OD1-CB 3.15Å; N86-L88 WeakPolarHBondContact OD1-CG 3.32Å; N86-L88 PolarHBondContact OD1-N 3.3Å; N86-M93 HydrophobicContact CB-CE 4.48Å
87	N	37.5	Very low	39.6	Very low	106 Å²	106	62.2 Å²	62.2	57%	0.567	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-1.8	174.1	-75.4	-20.7	0	0	0	113.6	K85	K85-N87 WeakPolarHBondContact CD-OD1 3.24Å; K85-N87 WeakPolarHBondContact CE-OD1 3.38Å; K85-N87 VanDerWaalsContact CG-OD1 3.31Å; K85-N87 WeakPolarHBondContact CG-OD1 3.49Å; K85-N87 PolarHBondContact O-N 3.22Å
88	L	31.5	Very low	39.6	Very low	108 Å²	108	60.4 Å²	60.4	57%	0.565	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-22.6	-177.4	-68.4	166.8	0	0	0	114.6	N86 R127	N86-L88 PolarHBondContact O-N 2.92Å; N86-L88 WeakPolarHBondContact OD1-CB 3.15Å; N86-L88 WeakPolarHBondContact OD1-CG 3.32Å; N86-L88 PolarHBondContact OD1-N 3.3Å; L88-R127 VanDerWaalsContact CD1-NH2 3.34Å; L88-R127 VanDerWaalsContact CG-NH2 3.28Å
89	T	38.5	Very low	39.5	Very low	74 Å²	74	58.8 Å²	58.8	45%	0.454	31%	0.312	S	S	.	.	S	Bend	trans	-120.2	2.1	-170.4	54.6	0	0	0	0	113.8	H91	T89-H91 PolarHBondContact O-CD2 2.71Å; T89-H91 PolarHBondContact O-N 2.76Å
90	G	33.1	Very low	39.7	Very low	79 Å²	79	54.5 Å²	54.5	81%	0.814	30%	0.298	S	S	*	.	S	Bend	trans	65.3	-6.5	-170.8	0	0	0	0	0	114.1
91	H	36.2	Very low	39.9	Very low	119 Å²	119	59.6 Å²	59.6	55%	0.551	32%	0.321	S	S	*	.	S	Bend	trans	-98.4	119.5	178.6	-63.5	-64.2	0	0	0	109.9	T89 M93	T89-H91 PolarHBondContact O-CD2 2.71Å; T89-H91 PolarHBondContact O-N 2.76Å; H91-M93 VanDerWaalsContact C-N 3.28Å; H91-M93 PolarHBondContact O-N 2.83Å
92	G	35.9	Very low	40.5	Very low	21 Å²	21	60.9 Å²	60.9	22%	0.216	33%	0.327	C	S	.	.			trans	-68.9	80.6	175.5	0	0	0	0	0	111.8	C94	G92-C94 PolarHBondContact O-N 3.33Å
93	M	35.7	Very low	40.8	Very low	41 Å²	41	61.1 Å²	61.1	20%	0.202	34%	0.337	C	S	.	.			trans	-65.4	124.9	170.7	-62.6	-141.9	-73.3	0	0	109	H59 F83 K85 N86 H91 Y95	H59-M93 PolarHBondContact CD2-SD 3.47Å; H59-M93 PolarHBondContact NE2-SD 2.91Å; F83-M93 VanDerWaalsContact O-O 3.08Å; K85-M93 PolarHBondContact N-O 3.3Å; K85-M93 VanDerWaalsContact N-O 3.08Å; N86-M93 HydrophobicContact CB-CE 4.48Å; H91-M93 VanDerWaalsContact C-N 3.28Å; H91-M93 PolarHBondContact O-N 2.83Å; M93-Y95 HydrophobicContact CB-CE2 4.2Å; M93-Y95 WeakPolarHBondContact CE-OH 3.31Å
94	C	39.3	Very low	41.1	Very low	1 Å²	1	64.4 Å²	64.4	1%	0.007	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	125.3	167.3	-52	0	0	0	0	108	C60 K82 F83 L84 G92	C60-C94 HydrophobicContact CB-CB 3.7Å; C60-C94 VanDerWaalsContact SG-CB 3.53Å; K82-C94 WeakPolarHBondContact CE-SG 3.14Å; K82-C94 HydrophobicContact CG-CB 3.85Å; F83-C94 WeakPolarHBondContact O-CA 3.29Å; L84-C94 WeakPolarHBondContact CD2-SG 3.33Å; G92-C94 PolarHBondContact O-N 3.33Å
95	Y	44	Very low	41.5	Very low	46 Å²	46	66 Å²	66	18%	0.18	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	130.5	168.6	-60.5	-87.8	0	0	0	108.3	L57 V81 K82 F83 M93 L118 L120	L57-Y95 HydrophobicContact CD2-CD1 3.76Å; V81-Y95 CarbonylContact C-O 3.54Å; V81-Y95 CarbonylContact O-C 3.55Å; K82-Y95 CarbonylContact C-O 3.55Å; K82-Y95 VanDerWaalsContact CA-O 3.23Å; K82-Y95 WeakPolarHBondContact CA-O 3.19Å; F83-Y95 HydrophobicContact CB-CD2 4.03Å; F83-Y95 PolarHBondContact N-O 2.86Å; F83-Y95 PolarHBondContact O-N 3.48Å; M93-Y95 HydrophobicContact CB-CE2 4.2Å; M93-Y95 WeakPolarHBondContact CE-OH 3.31Å; Y95-L118 HydrophobicContact CD1-CD2 4.22Å; Y95-L118 HydrophobicContact CE1-CD2 4.15Å; Y95-L120 HydrophobicContact CD1-CD1 3.61Å; Y95-L120 HydrophobicContact CD2-CD1 3.46Å; Y95-L120 VanDerWaalsContact CD2-CD1 3.46Å; Y95-L120 HydrophobicContact CD2-CD2 4.26Å; Y95-L120 HydrophobicContact CD2-CG 4.42Å; Y95-L120 HydrophobicContact CE1-CD1 3.61Å; Y95-L120 HydrophobicContact CE1-CD2 4.42Å; Y95-L120 HydrophobicContact CE1-CG 4.17Å; Y95-L120 HydrophobicContact CE2-CD1 3.47Å; Y95-L120 VanDerWaalsContact CE2-CD1 3.47Å; Y95-L120 HydrophobicContact CE2-CD2 3.49Å; Y95-L120 VanDerWaalsContact CE2-CD2 3.49Å; Y95-L120 HydrophobicContact CE2-CG 3.97Å; Y95-L120 HydrophobicContact CG-CD1 3.51Å; Y95-L120 WeakPolarHBondContact OH-CD2 3.24Å
96	V	44.1	Very low	41.8	Very low	12 Å²	12	65.9 Å²	65.9	7%	0.073	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	118.5	177.3	174.1	0	0	0	0	105.7	R58 V65 A80 V81	R58-V96 HydrophobicContact CB-CB 4.26Å; R58-V96 HydrophobicContact CB-CG2 4.28Å; V65-V96 HydrophobicContact CG1-CG2 4.38Å; A80-V96 HydrophobicContact CB-CB 4.47Å; A80-V96 HydrophobicContact CB-CG1 3.33Å; V81-V96 WeakPolarHBondContact O-CA 3.44Å
97	F	46.2	Very low	42.3	Very low	10 Å²	10	67.2 Å²	67.2	4%	0.044	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	102.1	177.1	-71.7	-99.2	0	0	0	109.8	L55 A80 V81 F83 F115 L118	L55-F97 HydrophobicContact CD2-CD1 3.88Å; L55-F97 HydrophobicContact CD2-CE1 4.12Å; A80-F97 VanDerWaalsContact CA-O 3.31Å; A80-F97 WeakPolarHBondContact CA-O 3.43Å; V81-F97 HydrophobicContact CB-CB 4.42Å; V81-F97 HydrophobicContact CB-CD2 4.44Å; V81-F97 PolarHBondContact O-N 3.38Å; F83-F97 AromaticContact CD2-CD2 3.71Å; F83-F97 HydrophobicContact CD2-CD2 3.71Å; F83-F97 AromaticContact CD2-CE2 3.34Å; F83-F97 HydrophobicContact CD2-CE2 3.34Å; F83-F97 HydrophobicContact CD2-CZ 4.48Å; F83-F97 AromaticContact CE2-CD2 3.56Å; F83-F97 HydrophobicContact CE2-CD2 3.56Å; F83-F97 AromaticContact CE2-CE2 3.34Å; F83-F97 HydrophobicContact CE2-CE2 3.34Å; F83-F97 HydrophobicContact CE2-CZ 4.31Å; F97-F115 HydrophobicContact CD1-CE2 4.33Å; F97-F115 AromaticContact CE1-CD2 3.97Å; F97-F115 HydrophobicContact CE1-CD2 3.97Å; F97-F115 AromaticContact CE1-CE2 3.78Å; F97-F115 HydrophobicContact CE1-CE2 3.78Å; F97-F115 HydrophobicContact CE2-CE2 4.11Å; F97-F115 HydrophobicContact CE2-CZ 4.35Å; F97-F115 HydrophobicContact CZ-CD2 4.12Å; F97-F115 AromaticContact CZ-CE2 3.63Å; F97-F115 HydrophobicContact CZ-CE2 3.63Å; F97-F115 HydrophobicContact CZ-CZ 4.09Å; F97-L118 HydrophobicContact CD1-CD1 4.48Å; F97-L118 HydrophobicContact CE1-CD1 3.29Å; F97-L118 HydrophobicContact CE2-CD1 4.45Å; F97-L118 HydrophobicContact CZ-CD1 3.28Å
98	C	44.8	Very low	42.6	Very low	3 Å²	3	66.1 Å²	66.1	2%	0.02	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	127.5	172.4	-50.2	0	0	0	0	109.7	C56 C75 C77	C56-C98 HydrophobicContact CB-CB 4.33Å; C75-C98 HydrophobicContact CB-CB 3.71Å; C77-C98 HydrophobicContact CB-CB 4.2Å; C77-C98 WeakPolarHBondContact CB-SG 3.25Å; C77-C98 WeakPolarHBondContact SG-CB 3.43Å; C77-C98 CovalentContact SG-SG 2.07Å; C77-C98 PolarHBondContact SG-SG 3.18Å
99	M	43	Very low	43.2	Very low	43 Å²	43	66.5 Å²	66.5	21%	0.212	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	143.8	-179.5	-71.5	-172.3	-77.4	0	0	111	R79	R79-M99 HydrophobicContact CB-CE 3.54Å; R79-M99 HydrophobicContact CG-CE 4.42Å
100	P	42.9	Very low	43.4	Very low	16 Å²	16	63.9 Å²	63.9	10%	0.104	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	143.8	168.5	27.2	-32.1	0	0	0	110	E102 A110	P100-E102 HydrophobicContact CB-CB 4.48Å; P100-E102 HydrophobicContact CB-CG 4.26Å; P100-E102 PolarHBondContact O-N 3.08Å; P100-A110 HydrophobicContact CG-CB 4.04Å
101	I	45.8	Very low	44	Very low	123 Å²	123	61.3 Å²	61.3	63%	0.631	30%	0.3	S	S	*	.	S	Bend	trans	-76.2	60.5	175.2	-48.1	173.8	0	0	0	108.8	D76	D76-I101 HydrophobicContact CB-CG1 4.27Å
102	E	53	Low	44.4	Very low	40 Å²	40	59.7 Å²	59.7	19%	0.187	29%	0.293	C	S	.	.	S	Bend	trans	-117.8	160.1	179.9	-76.9	-159.8	134.7	0	0	111.1	P100 R106 R107	P100-E102 HydrophobicContact CB-CB 4.48Å; P100-E102 HydrophobicContact CB-CG 4.26Å; P100-E102 PolarHBondContact O-N 3.08Å; E102-R106 HydrophobicContact CB-CB 4.06Å; E102-R106 VanDerWaalsContact CD-CD 3.47Å; E102-R106 WeakPolarHBondContact OE1-CD 3.25Å; E102-R106 IonicContact OE1-CZ 3.93Å; E102-R106 IonicContact OE1-NH1 3.01Å; E102-R106 PolarHBondContact OE1-NH1 3.11Å; E102-R106 VanDerWaalsContact OE2-CB 3.31Å; E102-R106 WeakPolarHBondContact OE2-CB 3.15Å; E102-R106 WeakPolarHBondContact OE2-CD 3.12Å; E102-R107 PolarHBondContact O-NE 3.03Å; E102-R107 PolarHBondContact O-NH2 3.14Å
103	P	49.8	Very low	44.6	Very low	86 Å²	86	61.5 Å²	61.5	56%	0.558	30%	0.3	S	S	*	.			trans	-57.1	150.6	174.7	21.5	-32.4	0	0	0	112.1	D105 R106 R107	P103-D105 PolarHBondContact O-N 3.15Å; P103-R106 PolarHBondContact O-N 3.23Å; P103-R107 PolarHBondContact O-N 2.93Å
104	E	48.3	Very low	45.1	Very low	133 Å²	133	59.7 Å²	59.7	62%	0.621	29%	0.291	S	S	*	.	H	α-helix	trans	-51.4	-35.3	-169.1	-73.9	-173.6	144.9	0	0	115	R106 R107 H108	E104-R106 VanDerWaalsContact C-N 3.26Å; E104-R106 PolarHBondContact O-N 2.89Å; E104-R107 WeakPolarHBondContact O-CB 3.37Å; E104-R107 PolarHBondContact O-N 3.26Å; E104-R107 VanDerWaalsContact O-N 3.13Å; E104-H108 PolarHBondContact O-N 3.08Å; E104-H108 PolarHBondContact O-ND1 3.29Å
105	D	48.3	Very low	45.4	Very low	143 Å²	143	60.5 Å²	60.5	77%	0.765	30%	0.295	S	S	*	.	H	α-helix	trans	-62.6	-31.8	179.3	-57.4	-34.4	0	0	0	112.9	P103	P103-D105 PolarHBondContact O-N 3.15Å
106	R	45.4	Very low	45.2	Very low	147 Å²	147	65.7 Å²	65.7	56%	0.555	31%	0.314	S	S	*	.	H	α-helix	trans	-83.9	-24	176.7	-66	-169.7	179.8	-168.6	-4.2	112.9	E102 P103 E104 K109 A110	E102-R106 HydrophobicContact CB-CB 4.06Å; E102-R106 VanDerWaalsContact CD-CD 3.47Å; E102-R106 WeakPolarHBondContact OE1-CD 3.25Å; E102-R106 IonicContact OE1-CZ 3.93Å; E102-R106 IonicContact OE1-NH1 3.01Å; E102-R106 PolarHBondContact OE1-NH1 3.11Å; E102-R106 VanDerWaalsContact OE2-CB 3.31Å; E102-R106 WeakPolarHBondContact OE2-CB 3.15Å; E102-R106 WeakPolarHBondContact OE2-CD 3.12Å; P103-R106 PolarHBondContact O-N 3.23Å; E104-R106 VanDerWaalsContact C-N 3.26Å; E104-R106 PolarHBondContact O-N 2.89Å; R106-K109 PolarHBondContact O-N 2.67Å; R106-A110 PolarHBondContact O-N 3.46Å
107	R	45	Very low	45	Very low	60 Å²	60	70.9 Å²	70.9	23%	0.226	34%	0.338	C	S	.	.	H	α-helix	trans	-65.7	-40.3	176	-62.3	-176.6	-174.5	160.3	-1.1	111.8	R79 E102 P103 E104 K109 A110 F111	R79-R107 VanDerWaalsContact NH1-CZ 3.33Å; E102-R107 PolarHBondContact O-NE 3.03Å; E102-R107 PolarHBondContact O-NH2 3.14Å; P103-R107 PolarHBondContact O-N 2.93Å; E104-R107 WeakPolarHBondContact O-CB 3.37Å; E104-R107 PolarHBondContact O-N 3.26Å; E104-R107 VanDerWaalsContact O-N 3.13Å; R107-K109 VanDerWaalsContact C-N 3.3Å; R107-K109 PolarHBondContact O-N 3.07Å; R107-A110 PolarHBondContact O-N 2.87Å; R107-F111 WeakPolarHBondContact O-CB 3.22Å; R107-F111 PolarHBondContact O-N 2.82Å
108	H	44.3	Very low	45.1	Very low	83 Å²	83	71.5 Å²	71.5	38%	0.384	34%	0.341	S	S	.	.	H	α-helix	trans	-56.1	-46.1	175.8	-77	75.6	0	0	0	111.8	E104 F111 E112 A140	E104-H108 PolarHBondContact O-N 3.08Å; E104-H108 PolarHBondContact O-ND1 3.29Å; H108-F111 PolarHBondContact O-N 2.83Å; H108-E112 WeakPolarHBondContact O-CB 3.11Å; H108-E112 PolarHBondContact O-N 3.41Å; H108-A140 PolarHBondContact CE1-O 2.68Å; H108-A140 VanDerWaalsContact CE1-O 3.32Å; H108-A140 PolarHBondContact NE2-O 2.84Å
109	K	44	Very low	45.2	Very low	116 Å²	116	76.4 Å²	76.4	50%	0.504	37%	0.367	S	S	.	.	H	α-helix	trans	-68.4	-41.5	179.7	-159.4	-177.4	178.7	-150.3	0	112	E28 R106 R107 F111 E112 V113	E28-K109 IonicContact OE1-NZ 3.07Å; E28-K109 PolarHBondContact OE1-NZ 3.36Å; R106-K109 PolarHBondContact O-N 2.67Å; R107-K109 VanDerWaalsContact C-N 3.3Å; R107-K109 PolarHBondContact O-N 3.07Å; K109-F111 VanDerWaalsContact C-N 3.33Å; K109-F111 PolarHBondContact O-N 3.01Å; K109-E112 PolarHBondContact O-N 3.16Å; K109-V113 WeakPolarHBondContact O-CB 3.39Å; K109-V113 WeakPolarHBondContact O-CG2 3.43Å; K109-V113 PolarHBondContact O-N 2.88Å
110	A	42.9	Very low	45.2	Very low	19 Å²	19	76.4 Å²	76.4	16%	0.157	37%	0.368	C	S	.	.	H	α-helix	trans	-63.8	-38.3	175.1	0	0	0	0	0	112.4	P100 R106 R107 G114	P100-A110 HydrophobicContact CG-CB 4.04Å; R106-A110 PolarHBondContact O-N 3.46Å; R107-A110 PolarHBondContact O-N 2.87Å; A110-G114 PolarHBondContact O-N 3.44Å
111	F	46.1	Very low	45.3	Very low	25 Å²	25	76.3 Å²	76.3	11%	0.11	37%	0.366	C	S	.	.	H	α-helix	trans	-65.7	-47.5	175.4	-163.2	-94.8	0	0	0	111.1	R107 H108 K109 V113 G114 F115 I139	R107-F111 WeakPolarHBondContact O-CB 3.22Å; R107-F111 PolarHBondContact O-N 2.82Å; H108-F111 PolarHBondContact O-N 2.83Å; K109-F111 VanDerWaalsContact C-N 3.33Å; K109-F111 PolarHBondContact O-N 3.01Å; F111-V113 VanDerWaalsContact C-N 3.35Å; F111-V113 PolarHBondContact O-N 3.15Å; F111-G114 PolarHBondContact O-N 2.83Å; F111-F115 AromaticContact CD1-CD2 3.77Å; F111-F115 HydrophobicContact CD1-CD2 3.77Å; F111-F115 HydrophobicContact CD1-CE2 4.09Å; F111-F115 HydrophobicContact CD1-CG 4.36Å; F111-F115 HydrophobicContact CD2-CD2 4.2Å; F111-F115 HydrophobicContact CD2-CE2 4.06Å; F111-F115 HydrophobicContact CE1-CD1 4.44Å; F111-F115 AromaticContact CE1-CD2 3.49Å; F111-F115 HydrophobicContact CE1-CD2 3.49Å; F111-F115 VanDerWaalsContact CE1-CD2 3.49Å; F111-F115 HydrophobicContact CE1-CE1 4.36Å; F111-F115 AromaticContact CE1-CE2 3.41Å; F111-F115 HydrophobicContact CE1-CE2 3.41Å; F111-F115 VanDerWaalsContact CE1-CE2 3.41Å; F111-F115 HydrophobicContact CE1-CG 4.05Å; F111-F115 AromaticContact CE1-CZ 3.87Å; F111-F115 HydrophobicContact CE1-CZ 3.87Å; F111-F115 AromaticContact CE2-CD2 3.96Å; F111-F115 HydrophobicContact CE2-CD2 3.96Å; F111-F115 AromaticContact CE2-CE2 3.39Å; F111-F115 HydrophobicContact CE2-CE2 3.39Å; F111-F115 HydrophobicContact CE2-CZ 4.19Å; F111-F115 HydrophobicContact CG-CD2 4.12Å; F111-F115 HydrophobicContact CG-CE2 4.37Å; F111-F115 AromaticContact CZ-CD2 3.59Å; F111-F115 HydrophobicContact CZ-CD2 3.59Å; F111-F115 HydrophobicContact CZ-CE1 4.34Å; F111-F115 AromaticContact CZ-CE2 3Å; F111-F115 HydrophobicContact CZ-CE2 3Å; F111-F115 HydrophobicContact CZ-CG 4.47Å; F111-F115 AromaticContact CZ-CZ 3.45Å; F111-F115 HydrophobicContact CZ-CZ 3.45Å; F111-F115 VanDerWaalsContact CZ-CZ 3.45Å; F111-F115 VanDerWaalsContact O-CB 3.25Å; F111-F115 WeakPolarHBondContact O-CB 3.46Å; F111-F115 WeakPolarHBondContact O-CD2 3.46Å; F111-F115 PolarHBondContact O-N 3.32Å; F111-I139 HydrophobicContact CE1-CB 4.07Å; F111-I139 HydrophobicContact CE1-CD1 4.36Å; F111-I139 HydrophobicContact CE1-CG2 3.77Å; F111-I139 HydrophobicContact CE2-CG2 3.75Å; F111-I139 HydrophobicContact CZ-CB 3.97Å; F111-I139 HydrophobicContact CZ-CD1 3.93Å; F111-I139 HydrophobicContact CZ-CG2 3.29Å
112	E	43.4	Very low	45.4	Very low	85 Å²	85	78.4 Å²	78.4	40%	0.397	37%	0.366	S	S	.	.	H	α-helix	trans	-61.7	-41.3	178.2	-166.5	-178.5	174	0	0	112.2	H108 K109 R116	H108-E112 WeakPolarHBondContact O-CB 3.11Å; H108-E112 PolarHBondContact O-N 3.41Å; K109-E112 PolarHBondContact O-N 3.16Å; E112-R116 VanDerWaalsContact O-CB 3.24Å; E112-R116 WeakPolarHBondContact O-CB 3.2Å; E112-R116 WeakPolarHBondContact O-CG 3.23Å; E112-R116 PolarHBondContact O-N 2.96Å; E112-R116 IonicContact OE1-CZ 3.89Å; E112-R116 VanDerWaalsContact OE1-CZ 3.22Å; E112-R116 IonicContact OE1-NE 2.86Å; E112-R116 PolarHBondContact OE1-NE 3.26Å; E112-R116 IonicContact OE1-NH2 3.51Å; E112-R116 PolarHBondContact OE1-NH2 3.38Å
113	V	41.5	Very low	45	Very low	60 Å²	60	80.3 Å²	80.3	36%	0.364	38%	0.377	S	S	.	.	H	α-helix	trans	-69.2	-46.1	177.7	172.9	0	0	0	0	111.5	K109 F111 F115 R116 H117	K109-V113 WeakPolarHBondContact O-CB 3.39Å; K109-V113 WeakPolarHBondContact O-CG2 3.43Å; K109-V113 PolarHBondContact O-N 2.88Å; F111-V113 VanDerWaalsContact C-N 3.35Å; F111-V113 PolarHBondContact O-N 3.15Å; V113-F115 VanDerWaalsContact C-N 3.34Å; V113-F115 PolarHBondContact O-N 3.07Å; V113-R116 PolarHBondContact O-N 3.48Å; V113-H117 PolarHBondContact O-N 3.36Å; V113-H117 VanDerWaalsContact O-N 3.15Å
114	G	44.4	Very low	44.6	Very low	2 Å²	2	77.7 Å²	77.7	2%	0.021	36%	0.363	C	S	.	.	H	α-helix	trans	-61.1	-43.4	177	0	0	0	0	0	111.9	A110 F111 L118	A110-G114 PolarHBondContact O-N 3.44Å; F111-G114 PolarHBondContact O-N 2.83Å; G114-L118 VanDerWaalsContact O-CD1 3.29Å; G114-L118 WeakPolarHBondContact O-CD1 3.22Å; G114-L118 PolarHBondContact O-N 2.92Å; G114-L118 VanDerWaalsContact O-N 3.16Å
115	F	46	Very low	44.6	Very low	19 Å²	19	76.9 Å²	76.9	8%	0.083	35%	0.354	C	S	.	.	H	α-helix	trans	-67.1	-44.2	176.2	-95.3	-104.2	0	0	0	112.4	F83 F97 F111 V113 H117 L118 L121 V136	F83-F115 HydrophobicContact CE1-CZ 4.15Å; F83-F115 HydrophobicContact CE2-CE2 4.26Å; F83-F115 AromaticContact CE2-CZ 3.7Å; F83-F115 HydrophobicContact CE2-CZ 3.7Å; F83-F115 HydrophobicContact CZ-CE1 4.26Å; F83-F115 HydrophobicContact CZ-CE2 4.3Å; F83-F115 AromaticContact CZ-CZ 3.42Å; F83-F115 HydrophobicContact CZ-CZ 3.42Å; F83-F115 VanDerWaalsContact CZ-CZ 3.42Å; F97-F115 HydrophobicContact CD1-CE2 4.33Å; F97-F115 AromaticContact CE1-CD2 3.97Å; F97-F115 HydrophobicContact CE1-CD2 3.97Å; F97-F115 AromaticContact CE1-CE2 3.78Å; F97-F115 HydrophobicContact CE1-CE2 3.78Å; F97-F115 HydrophobicContact CE2-CE2 4.11Å; F97-F115 HydrophobicContact CE2-CZ 4.35Å; F97-F115 HydrophobicContact CZ-CD2 4.12Å; F97-F115 AromaticContact CZ-CE2 3.63Å; F97-F115 HydrophobicContact CZ-CE2 3.63Å; F97-F115 HydrophobicContact CZ-CZ 4.09Å; F111-F115 AromaticContact CD1-CD2 3.77Å; F111-F115 HydrophobicContact CD1-CD2 3.77Å; F111-F115 HydrophobicContact CD1-CE2 4.09Å; F111-F115 HydrophobicContact CD1-CG 4.36Å; F111-F115 HydrophobicContact CD2-CD2 4.2Å; F111-F115 HydrophobicContact CD2-CE2 4.06Å; F111-F115 HydrophobicContact CE1-CD1 4.44Å; F111-F115 AromaticContact CE1-CD2 3.49Å; F111-F115 HydrophobicContact CE1-CD2 3.49Å; F111-F115 VanDerWaalsContact CE1-CD2 3.49Å; F111-F115 HydrophobicContact CE1-CE1 4.36Å; F111-F115 AromaticContact CE1-CE2 3.41Å; F111-F115 HydrophobicContact CE1-CE2 3.41Å; F111-F115 VanDerWaalsContact CE1-CE2 3.41Å; F111-F115 HydrophobicContact CE1-CG 4.05Å; F111-F115 AromaticContact CE1-CZ 3.87Å; F111-F115 HydrophobicContact CE1-CZ 3.87Å; F111-F115 AromaticContact CE2-CD2 3.96Å; F111-F115 HydrophobicContact CE2-CD2 3.96Å; F111-F115 AromaticContact CE2-CE2 3.39Å; F111-F115 HydrophobicContact CE2-CE2 3.39Å; F111-F115 HydrophobicContact CE2-CZ 4.19Å; F111-F115 HydrophobicContact CG-CD2 4.12Å; F111-F115 HydrophobicContact CG-CE2 4.37Å; F111-F115 AromaticContact CZ-CD2 3.59Å; F111-F115 HydrophobicContact CZ-CD2 3.59Å; F111-F115 HydrophobicContact CZ-CE1 4.34Å; F111-F115 AromaticContact CZ-CE2 3Å; F111-F115 HydrophobicContact CZ-CE2 3Å; F111-F115 HydrophobicContact CZ-CG 4.47Å; F111-F115 AromaticContact CZ-CZ 3.45Å; F111-F115 HydrophobicContact CZ-CZ 3.45Å; F111-F115 VanDerWaalsContact CZ-CZ 3.45Å; F111-F115 VanDerWaalsContact O-CB 3.25Å; F111-F115 WeakPolarHBondContact O-CB 3.46Å; F111-F115 WeakPolarHBondContact O-CD2 3.46Å; F111-F115 PolarHBondContact O-N 3.32Å; V113-F115 VanDerWaalsContact C-N 3.34Å; V113-F115 PolarHBondContact O-N 3.07Å; F115-H117 PolarHBondContact O-N 3.49Å; F115-L118 PolarHBondContact O-N 3.06Å; F115-L121 HydrophobicContact CB-CD1 3.6Å; F115-L121 HydrophobicContact CB-CG 3.81Å; F115-L121 HydrophobicContact CD1-CD1 4.29Å; F115-L121 HydrophobicContact CD1-CD2 3.75Å; F115-L121 HydrophobicContact CD1-CG 3.71Å; F115-L121 HydrophobicContact CG-CD1 4.47Å; F115-L121 HydrophobicContact CG-CG 4.26Å; F115-L121 VanDerWaalsContact O-CB 3.25Å; F115-L121 WeakPolarHBondContact O-CB 3.45Å; F115-L121 VanDerWaalsContact O-CD1 3.25Å; F115-L121 WeakPolarHBondContact O-CD1 3.41Å; F115-L121 WeakPolarHBondContact O-CG 3.25Å; F115-V136 HydrophobicContact CD1-CG2 4.12Å
116	R	39.4	Very low	44.6	Very low	155 Å²	155	78.8 Å²	78.8	59%	0.585	36%	0.355	S	S	*	.	H	α-helix	trans	-64	-24.5	179.7	-80	-179.7	-175.2	-133.6	7.1	113.4	E112 V113 L121	E112-R116 VanDerWaalsContact O-CB 3.24Å; E112-R116 WeakPolarHBondContact O-CB 3.2Å; E112-R116 WeakPolarHBondContact O-CG 3.23Å; E112-R116 PolarHBondContact O-N 2.96Å; E112-R116 IonicContact OE1-CZ 3.89Å; E112-R116 VanDerWaalsContact OE1-CZ 3.22Å; E112-R116 IonicContact OE1-NE 2.86Å; E112-R116 PolarHBondContact OE1-NE 3.26Å; E112-R116 IonicContact OE1-NH2 3.51Å; E112-R116 PolarHBondContact OE1-NH2 3.38Å; V113-R116 PolarHBondContact O-N 3.48Å; R116-L121 HydrophobicContact CG-CD1 4.36Å
117	H	41.7	Very low	44.4	Very low	121 Å²	121	78.8 Å²	78.8	56%	0.56	36%	0.356	S	S	*	.	H	α-helix	trans	-98	-16.3	-179.5	-76.8	-11.7	0	0	0	115	F26 V113 F115 D119	F26-H117 AromaticContact CD1-CD2 3.82Å; F26-H117 HydrophobicContact CE1-CB 3.85Å; F26-H117 AromaticContact CE1-CD2 3.61Å; F26-H117 HydrophobicContact CZ-CB 3.98Å; V113-H117 PolarHBondContact O-N 3.36Å; V113-H117 VanDerWaalsContact O-N 3.15Å; F115-H117 PolarHBondContact O-N 3.49Å; H117-D119 PolarHBondContact O-N 3.48Å
118	L	47.5	Very low	44.2	Very low	23 Å²	23	79.4 Å²	79.4	12%	0.12	36%	0.362	C	S	.	.	S	Bend	trans	-75.7	123	165.8	-82	144.6	0	0	0	109	L57 Y95 F97 G114 F115 L120 L121	L57-L118 HydrophobicContact CD1-CD1 4.23Å; L57-L118 HydrophobicContact CD1-CD2 4.21Å; L57-L118 HydrophobicContact CD1-CG 4.41Å; L57-L118 HydrophobicContact CD2-CD1 3.76Å; L57-L118 HydrophobicContact CD2-CD2 3.61Å; L57-L118 HydrophobicContact CD2-CG 4.24Å; L57-L118 HydrophobicContact CG-CD1 4.5Å; Y95-L118 HydrophobicContact CD1-CD2 4.22Å; Y95-L118 HydrophobicContact CE1-CD2 4.15Å; F97-L118 HydrophobicContact CD1-CD1 4.48Å; F97-L118 HydrophobicContact CE1-CD1 3.29Å; F97-L118 HydrophobicContact CE2-CD1 4.45Å; F97-L118 HydrophobicContact CZ-CD1 3.28Å; G114-L118 VanDerWaalsContact O-CD1 3.29Å; G114-L118 WeakPolarHBondContact O-CD1 3.22Å; G114-L118 PolarHBondContact O-N 2.92Å; G114-L118 VanDerWaalsContact O-N 3.16Å; F115-L118 PolarHBondContact O-N 3.06Å; L118-L120 HydrophobicContact CB-CB 3.94Å; L118-L120 HydrophobicContact CB-CD1 4.16Å; L118-L120 HydrophobicContact CB-CG 4.17Å; L118-L120 HydrophobicContact CD1-CD1 4.49Å; L118-L120 HydrophobicContact CD2-CD1 3.87Å; L118-L120 HydrophobicContact CD2-CG 4.23Å; L118-L120 HydrophobicContact CG-CD1 4.4Å; L118-L120 PolarHBondContact O-N 2.89Å; L118-L121 PolarHBondContact O-N 3.12Å
119	D	47.4	Very low	44.2	Very low	105 Å²	105	78.6 Å²	78.6	56%	0.561	37%	0.365	S	S	*	.	H	α-helix	trans	-52.7	-10.6	166.8	-80.7	-40.5	0	0	0	112.4	H117 R122 L123	H117-D119 PolarHBondContact O-N 3.48Å; D119-R122 CarbonylContact O-C 3.59Å; D119-R122 WeakPolarHBondContact O-CB 3.06Å; D119-R122 PolarHBondContact O-N 2.83Å; D119-R122 WeakPolarHBondContact OD1-CD 3.23Å; D119-R122 IonicContact OD1-CZ 2.67Å; D119-R122 IonicContact OD1-NH1 3.22Å; D119-R122 PolarHBondContact OD1-NH1 3.26Å; D119-L123 WeakPolarHBondContact O-CB 3.49Å; D119-L123 PolarHBondContact O-N 3.4Å
120	L	43.1	Very low	44.4	Very low	44 Å²	44	80.5 Å²	80.5	23%	0.23	38%	0.38	C	S	.	.	H	α-helix	trans	-57.9	-41.2	166.1	-66.7	175.2	0	0	0	114.7	Y95 L118 R122 L123 A124	Y95-L120 HydrophobicContact CD1-CD1 3.61Å; Y95-L120 HydrophobicContact CD2-CD1 3.46Å; Y95-L120 VanDerWaalsContact CD2-CD1 3.46Å; Y95-L120 HydrophobicContact CD2-CD2 4.26Å; Y95-L120 HydrophobicContact CD2-CG 4.42Å; Y95-L120 HydrophobicContact CE1-CD1 3.61Å; Y95-L120 HydrophobicContact CE1-CD2 4.42Å; Y95-L120 HydrophobicContact CE1-CG 4.17Å; Y95-L120 HydrophobicContact CE2-CD1 3.47Å; Y95-L120 VanDerWaalsContact CE2-CD1 3.47Å; Y95-L120 HydrophobicContact CE2-CD2 3.49Å; Y95-L120 VanDerWaalsContact CE2-CD2 3.49Å; Y95-L120 HydrophobicContact CE2-CG 3.97Å; Y95-L120 HydrophobicContact CG-CD1 3.51Å; Y95-L120 WeakPolarHBondContact OH-CD2 3.24Å; L118-L120 HydrophobicContact CB-CB 3.94Å; L118-L120 HydrophobicContact CB-CD1 4.16Å; L118-L120 HydrophobicContact CB-CG 4.17Å; L118-L120 HydrophobicContact CD1-CD1 4.49Å; L118-L120 HydrophobicContact CD2-CD1 3.87Å; L118-L120 HydrophobicContact CD2-CG 4.23Å; L118-L120 HydrophobicContact CG-CD1 4.4Å; L118-L120 PolarHBondContact O-N 2.89Å; L120-R122 VanDerWaalsContact C-N 3.27Å; L120-R122 PolarHBondContact O-N 2.81Å; L120-L123 PolarHBondContact O-N 3.16Å; L120-A124 WeakPolarHBondContact O-CB 3.22Å; L120-A124 PolarHBondContact O-N 2.94Å
121	L	45.2	Very low	44.6	Very low	13 Å²	13	86.9 Å²	86.9	7%	0.068	40%	0.4	C	S	.	.	H	α-helix	trans	-66.9	-35.4	174.3	-96.9	-164.1	0	0	0	110.9	F115 R116 L118 R125 V132 V136	F115-L121 HydrophobicContact CB-CD1 3.6Å; F115-L121 HydrophobicContact CB-CG 3.81Å; F115-L121 HydrophobicContact CD1-CD1 4.29Å; F115-L121 HydrophobicContact CD1-CD2 3.75Å; F115-L121 HydrophobicContact CD1-CG 3.71Å; F115-L121 HydrophobicContact CG-CD1 4.47Å; F115-L121 HydrophobicContact CG-CG 4.26Å; F115-L121 VanDerWaalsContact O-CB 3.25Å; F115-L121 WeakPolarHBondContact O-CB 3.45Å; F115-L121 VanDerWaalsContact O-CD1 3.25Å; F115-L121 WeakPolarHBondContact O-CD1 3.41Å; F115-L121 WeakPolarHBondContact O-CG 3.25Å; R116-L121 HydrophobicContact CG-CD1 4.36Å; L118-L121 PolarHBondContact O-N 3.12Å; L121-R125 WeakPolarHBondContact O-CB 3.3Å; L121-R125 VanDerWaalsContact O-CG 3.25Å; L121-R125 WeakPolarHBondContact O-CG 3.03Å; L121-R125 PolarHBondContact O-N 3.06Å; L121-V132 HydrophobicContact CD2-CG1 3.19Å; L121-V136 HydrophobicContact CD2-CG2 3.96Å
122	R	46.5	Very low	44.7	Very low	168 Å²	168	86 Å²	86	63%	0.634	40%	0.397	S	S	*	.	H	α-helix	trans	-67.3	-40.2	173.8	-71.8	177.9	174.9	161.3	-5.5	111.2	D119 L120 K126	D119-R122 CarbonylContact O-C 3.59Å; D119-R122 WeakPolarHBondContact O-CB 3.06Å; D119-R122 PolarHBondContact O-N 2.83Å; D119-R122 WeakPolarHBondContact OD1-CD 3.23Å; D119-R122 IonicContact OD1-CZ 2.67Å; D119-R122 IonicContact OD1-NH1 3.22Å; D119-R122 PolarHBondContact OD1-NH1 3.26Å; L120-R122 VanDerWaalsContact C-N 3.27Å; L120-R122 PolarHBondContact O-N 2.81Å; R122-K126 WeakPolarHBondContact O-CB 3.21Å; R122-K126 WeakPolarHBondContact O-CG 3.29Å; R122-K126 PolarHBondContact O-N 3.48Å
123	L	44.3	Very low	45.1	Very low	79 Å²	79	86.3 Å²	86.3	41%	0.414	40%	0.401	S	S	.	.	H	α-helix	trans	-68.4	-42.6	177.6	-146.3	95.6	0	0	0	111.3	D119 L120 K126 R127	D119-L123 WeakPolarHBondContact O-CB 3.49Å; D119-L123 PolarHBondContact O-N 3.4Å; L120-L123 PolarHBondContact O-N 3.16Å; L123-K126 WeakPolarHBondContact O-CB 3.43Å; L123-K126 PolarHBondContact O-N 2.95Å; L123-R127 PolarHBondContact O-N 3.4Å; L123-R127 VanDerWaalsContact O-N 3.15Å
124	A	41.4	Very low	45.6	Very low	31 Å²	31	85.1 Å²	85.1	26%	0.256	40%	0.401	S	S	.	.	H	α-helix	trans	-66.9	-44.3	175.8	0	0	0	0	0	110.7	L120 K126 R127 I128 V132	L120-A124 WeakPolarHBondContact O-CB 3.22Å; L120-A124 PolarHBondContact O-N 2.94Å; A124-K126 PolarHBondContact O-N 3.38Å; A124-R127 PolarHBondContact O-N 3.39Å; A124-I128 VanDerWaalsContact O-CG1 3.27Å; A124-I128 WeakPolarHBondContact O-CG1 3.32Å; A124-I128 PolarHBondContact O-N 2.91Å; A124-V132 VanDerWaalsContact C-CG2 3.43Å; A124-V132 HydrophobicContact CB-CG2 3.67Å; A124-V132 WeakPolarHBondContact O-CG2 3.46Å
125	R	48.3	Very low	45.8	Very low	116 Å²	116	87.1 Å²	87.1	44%	0.438	41%	0.411	S	S	.	.	H	α-helix	trans	-63.7	-30.4	174.6	-80.1	-178.1	173.2	169.4	-1.7	112.4	L121 P129 V132 D133	L121-R125 WeakPolarHBondContact O-CB 3.3Å; L121-R125 VanDerWaalsContact O-CG 3.25Å; L121-R125 WeakPolarHBondContact O-CG 3.03Å; L121-R125 PolarHBondContact O-N 3.06Å; R125-P129 WeakPolarHBondContact O-CA 3.43Å; R125-P129 VanDerWaalsContact O-CB 3.29Å; R125-P129 WeakPolarHBondContact O-CB 3.38Å; R125-P129 WeakPolarHBondContact O-CD 3.48Å; R125-V132 HydrophobicContact CG-CB 4.1Å; R125-V132 HydrophobicContact CG-CG1 4Å; R125-V132 HydrophobicContact CG-CG2 4.15Å; R125-D133 IonicContact CZ-OD1 3.96Å; R125-D133 IonicContact NE-OD1 2.8Å; R125-D133 IonicContact NH2-OD1 3.59Å; R125-D133 PolarHBondContact NH2-OD1 3.29Å; R125-D133 IonicContact NH2-OD2 2.81Å
126	K	49.1	Very low	46	Very low	183 Å²	183	87.4 Å²	87.4	80%	0.796	41%	0.414	S	S	*	.	H	α-helix	trans	-69.4	-30.2	171.7	-81.7	-178.5	177.5	-175.3	0	113.3	R122 L123 A124	R122-K126 WeakPolarHBondContact O-CB 3.21Å; R122-K126 WeakPolarHBondContact O-CG 3.29Å; R122-K126 PolarHBondContact O-N 3.48Å; L123-K126 WeakPolarHBondContact O-CB 3.43Å; L123-K126 PolarHBondContact O-N 2.95Å; A124-K126 PolarHBondContact O-N 3.38Å
127	R	41	Very low	46.5	Very low	148 Å²	148	83.5 Å²	83.5	56%	0.558	41%	0.411	S	S	*	.	H	α-helix	trans	-97.8	-36	-174.6	-76.4	-172	170.7	-148.5	-7	114.4	L88 L123 A124	L88-R127 VanDerWaalsContact CD1-NH2 3.34Å; L88-R127 VanDerWaalsContact CG-NH2 3.28Å; L123-R127 PolarHBondContact O-N 3.4Å; L123-R127 VanDerWaalsContact O-N 3.15Å; A124-R127 PolarHBondContact O-N 3.39Å
128	I	41.4	Very low	46.8	Very low	72 Å²	72	81.9 Å²	81.9	37%	0.369	40%	0.403	S	S	.	.			trans	-142.8	53.2	-173.9	50.8	163.5	0	0	0	111.2	A124 D130 R131 V132 I135	A124-I128 VanDerWaalsContact O-CG1 3.27Å; A124-I128 WeakPolarHBondContact O-CG1 3.32Å; A124-I128 PolarHBondContact O-N 2.91Å; I128-D130 PolarHBondContact O-N 3.43Å; I128-R131 HydrophobicContact CB-CB 4.39Å; I128-R131 HydrophobicContact CD1-CB 4.42Å; I128-R131 PolarHBondContact O-N 2.89Å; I128-V132 HydrophobicContact CD1-CG2 4.23Å; I128-V132 HydrophobicContact CG1-CG2 3.85Å; I128-V132 WeakPolarHBondContact O-CG2 3.43Å; I128-V132 PolarHBondContact O-N 3.4Å; I128-I135 HydrophobicContact CD1-CD1 4.2Å
129	P	44.4	Very low	46.9	Very low	67 Å²	67	82 Å²	82	44%	0.435	40%	0.404	S	S	.	.	H	α-helix	trans	-49.2	-41.7	-171	19	-30.9	0	0	0	113	R125 R131	R125-P129 WeakPolarHBondContact O-CA 3.43Å; R125-P129 VanDerWaalsContact O-CB 3.29Å; R125-P129 WeakPolarHBondContact O-CB 3.38Å; R125-P129 WeakPolarHBondContact O-CD 3.48Å; P129-R131 VanDerWaalsContact C-N 3.25Å; P129-R131 PolarHBondContact O-N 3.36Å
130	D	48	Very low	46.8	Very low	155 Å²	155	78.4 Å²	78.4	83%	0.829	39%	0.389	S	S	*	.	H	α-helix	trans	-74.2	-14	-173.5	-48.4	-40	0	0	0	113.8	I128	I128-D130 PolarHBondContact O-N 3.43Å
131	R	46	Very low	47	Very low	154 Å²	154	79.3 Å²	79.3	58%	0.581	40%	0.398	S	S	*	.	H	α-helix	trans	-108.4	-22.1	-177.5	-63.7	-173.5	69.3	-171.9	1.2	113.3	I128 P129 D133 G134 I135	I128-R131 HydrophobicContact CB-CB 4.39Å; I128-R131 HydrophobicContact CD1-CB 4.42Å; I128-R131 PolarHBondContact O-N 2.89Å; P129-R131 VanDerWaalsContact C-N 3.25Å; P129-R131 PolarHBondContact O-N 3.36Å; R131-D133 PolarHBondContact O-N 3.3Å; R131-G134 PolarHBondContact O-N 3.26Å; R131-I135 HydrophobicContact CB-CD1 4.15Å; R131-I135 WeakPolarHBondContact O-CD1 3.31Å; R131-I135 VanDerWaalsContact O-CG1 3.24Å; R131-I135 WeakPolarHBondContact O-CG1 3.31Å; R131-I135 PolarHBondContact O-N 3.28Å
132	V	47.9	Very low	46.7	Very low	5 Å²	5	81.2 Å²	81.2	3%	0.03	42%	0.421	C	S	.	.	H	α-helix	trans	-62.2	-49.1	-173.9	176.2	0	0	0	0	111.8	L121 A124 R125 I128 G134 I135 V136	L121-V132 HydrophobicContact CD2-CG1 3.19Å; A124-V132 VanDerWaalsContact C-CG2 3.43Å; A124-V132 HydrophobicContact CB-CG2 3.67Å; A124-V132 WeakPolarHBondContact O-CG2 3.46Å; R125-V132 HydrophobicContact CG-CB 4.1Å; R125-V132 HydrophobicContact CG-CG1 4Å; R125-V132 HydrophobicContact CG-CG2 4.15Å; I128-V132 HydrophobicContact CD1-CG2 4.23Å; I128-V132 HydrophobicContact CG1-CG2 3.85Å; I128-V132 WeakPolarHBondContact O-CG2 3.43Å; I128-V132 PolarHBondContact O-N 3.4Å; V132-G134 PolarHBondContact O-N 3.23Å; V132-I135 PolarHBondContact O-N 3.06Å; V132-V136 HydrophobicContact CG1-CG2 4.3Å; V132-V136 VanDerWaalsContact O-CG2 3.32Å; V132-V136 WeakPolarHBondContact O-CG2 3.31Å; V132-V136 PolarHBondContact O-N 3.13Å
133	D	52.4	Low	46.4	Very low	93 Å²	93	81 Å²	81	50%	0.497	43%	0.425	S	S	.	.	H	α-helix	trans	-67.1	-31.9	-178	-64.6	-27.3	0	0	0	110.9	R125 R131 S137	R125-D133 IonicContact CZ-OD1 3.96Å; R125-D133 IonicContact NE-OD1 2.8Å; R125-D133 IonicContact NH2-OD1 3.59Å; R125-D133 PolarHBondContact NH2-OD1 3.29Å; R125-D133 IonicContact NH2-OD2 2.81Å; R131-D133 PolarHBondContact O-N 3.3Å; D133-S137 WeakPolarHBondContact O-CB 3.48Å; D133-S137 PolarHBondContact O-N 2.88Å
134	G	51.6	Low	46	Very low	34 Å²	34	80.2 Å²	80.2	35%	0.351	42%	0.421	S	S	.	.	H	α-helix	trans	-64.1	-48	170.8	0	0	0	0	0	112.6	R131 V132 S137 E138	R131-G134 PolarHBondContact O-N 3.26Å; V132-G134 PolarHBondContact O-N 3.23Å; G134-S137 CarbonylContact O-C 3.56Å; G134-S137 PolarHBondContact O-N 3.49Å; G134-E138 WeakPolarHBondContact O-CB 3.16Å; G134-E138 VanDerWaalsContact O-CG 3.29Å; G134-E138 WeakPolarHBondContact O-CG 3.13Å; G134-E138 PolarHBondContact O-N 3.3Å
135	I	48.7	Very low	45.5	Very low	45 Å²	45	82.9 Å²	82.9	23%	0.231	44%	0.442	C	S	.	.	H	α-helix	trans	-64.7	-43.5	178.9	-67.6	162.2	0	0	0	110.9	I128 R131 V132 S137 E138 I139 I144	I128-I135 HydrophobicContact CD1-CD1 4.2Å; R131-I135 HydrophobicContact CB-CD1 4.15Å; R131-I135 WeakPolarHBondContact O-CD1 3.31Å; R131-I135 VanDerWaalsContact O-CG1 3.24Å; R131-I135 WeakPolarHBondContact O-CG1 3.31Å; R131-I135 PolarHBondContact O-N 3.28Å; V132-I135 PolarHBondContact O-N 3.06Å; I135-S137 VanDerWaalsContact C-N 3.31Å; I135-S137 PolarHBondContact O-N 2.96Å; I135-E138 PolarHBondContact O-N 3.14Å; I135-I139 HydrophobicContact CG2-CD1 3.67Å; I135-I139 HydrophobicContact CG2-CG1 4.31Å; I135-I139 WeakPolarHBondContact O-CB 3.28Å; I135-I139 VanDerWaalsContact O-CG1 3.22Å; I135-I139 WeakPolarHBondContact O-CG1 3.29Å; I135-I139 PolarHBondContact O-N 3.43Å; I135-I144 HydrophobicContact CG2-CD1 4.46Å
136	V	51.2	Low	44.8	Very low	25 Å²	25	80 Å²	80	15%	0.152	44%	0.438	C	S	.	.	H	α-helix	trans	-61.4	-43.6	175.2	173.2	0	0	0	0	110.2	F115 L121 V132 A140	F115-V136 HydrophobicContact CD1-CG2 4.12Å; L121-V136 HydrophobicContact CD2-CG2 3.96Å; V132-V136 HydrophobicContact CG1-CG2 4.3Å; V132-V136 VanDerWaalsContact O-CG2 3.32Å; V132-V136 WeakPolarHBondContact O-CG2 3.31Å; V132-V136 PolarHBondContact O-N 3.13Å; V136-A140 WeakPolarHBondContact O-CB 3.15Å; V136-A140 PolarHBondContact O-N 2.92Å
137	S	50.7	Low	43.8	Very low	73 Å²	73	79.3 Å²	79.3	51%	0.51	44%	0.437	S	S	.	.	H	α-helix	trans	-65.7	-38.1	176.7	-173	0	0	0	0	112.7	D133 G134 I135 S141	D133-S137 WeakPolarHBondContact O-CB 3.48Å; D133-S137 PolarHBondContact O-N 2.88Å; G134-S137 CarbonylContact O-C 3.56Å; G134-S137 PolarHBondContact O-N 3.49Å; I135-S137 VanDerWaalsContact C-N 3.31Å; I135-S137 PolarHBondContact O-N 2.96Å; S137-S141 VanDerWaalsContact O-CB 3.22Å; S137-S141 WeakPolarHBondContact O-CB 3.06Å; S137-S141 PolarHBondContact O-N 2.81Å; S137-S141 PolarHBondContact O-OG 2.95Å
138	E	47.5	Very low	43.2	Very low	86 Å²	86	75.9 Å²	75.9	40%	0.402	43%	0.434	S	S	.	.	H	α-helix	trans	-73.5	-37	179	-77.2	-178.4	173	0	0	112.7	G134 I135 S141 G142 K143 I144	G134-E138 WeakPolarHBondContact O-CB 3.16Å; G134-E138 VanDerWaalsContact O-CG 3.29Å; G134-E138 WeakPolarHBondContact O-CG 3.13Å; G134-E138 PolarHBondContact O-N 3.3Å; I135-E138 PolarHBondContact O-N 3.14Å; E138-S141 WeakPolarHBondContact CA-OG 3.37Å; E138-S141 PolarHBondContact O-OG 3.2Å; E138-G142 PolarHBondContact O-N 2.85Å; E138-K143 HydrophobicContact CB-CB 4.27Å; E138-K143 HydrophobicContact CG-CB 4.38Å; E138-K143 HydrophobicContact CG-CD 4.4Å; E138-K143 PolarHBondContact O-N 3.48Å; E138-I144 HydrophobicContact CB-CD1 3.51Å; E138-I144 HydrophobicContact CB-CG1 3.79Å; E138-I144 PolarHBondContact O-N 3.3Å; E138-I144 VanDerWaalsContact O-N 3.08Å; E138-I144 WeakPolarHBondContact OE2-CD1 3.19Å
139	I	48.5	Very low	42.7	Very low	26 Å²	26	76 Å²	76	13%	0.133	44%	0.442	C	S	.	.	H	α-helix	trans	-68.6	-44.7	171.9	-63.7	165.7	0	0	0	110	F83 F111 I135 G142 I144 V146	F83-I139 HydrophobicContact CZ-CD1 4.46Å; F111-I139 HydrophobicContact CE1-CB 4.07Å; F111-I139 HydrophobicContact CE1-CD1 4.36Å; F111-I139 HydrophobicContact CE1-CG2 3.77Å; F111-I139 HydrophobicContact CE2-CG2 3.75Å; F111-I139 HydrophobicContact CZ-CB 3.97Å; F111-I139 HydrophobicContact CZ-CD1 3.93Å; F111-I139 HydrophobicContact CZ-CG2 3.29Å; I135-I139 HydrophobicContact CG2-CD1 3.67Å; I135-I139 HydrophobicContact CG2-CG1 4.31Å; I135-I139 WeakPolarHBondContact O-CB 3.28Å; I135-I139 VanDerWaalsContact O-CG1 3.22Å; I135-I139 WeakPolarHBondContact O-CG1 3.29Å; I135-I139 PolarHBondContact O-N 3.43Å; I139-G142 PolarHBondContact O-N 2.81Å; I139-G142 VanDerWaalsContact O-N 3.15Å; I139-I144 HydrophobicContact CG1-CB 4.19Å; I139-I144 HydrophobicContact CG1-CD1 4.13Å; I139-I144 HydrophobicContact CG1-CG2 4.31Å; I139-V146 HydrophobicContact CG2-CG2 4.14Å
140	A	46.4	Very low	41.8	Very low	30 Å²	30	76.1 Å²	76.1	25%	0.248	45%	0.448	C	S	.	.	H	α-helix	trans	-59.9	-49.6	177.4	0	0	0	0	0	111	H108 V136 G142	H108-A140 PolarHBondContact CE1-O 2.68Å; H108-A140 VanDerWaalsContact CE1-O 3.32Å; H108-A140 PolarHBondContact NE2-O 2.84Å; V136-A140 WeakPolarHBondContact O-CB 3.15Å; V136-A140 PolarHBondContact O-N 2.92Å; A140-G142 PolarHBondContact O-N 3.32Å
141	S	46.5	Very low	41	Very low	62 Å²	62	75 Å²	75	43%	0.434	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	0.3	178.1	59.9	0	0	0	0	114.7	S137 E138 K143	S137-S141 VanDerWaalsContact O-CB 3.22Å; S137-S141 WeakPolarHBondContact O-CB 3.06Å; S137-S141 PolarHBondContact O-N 2.81Å; S137-S141 PolarHBondContact O-OG 2.95Å; E138-S141 WeakPolarHBondContact CA-OG 3.37Å; E138-S141 PolarHBondContact O-OG 3.2Å; S141-K143 PolarHBondContact O-N 3.46Å; S141-K143 WeakPolarHBondContact OG-CG 3.13Å
142	G	40.3	Very low	40.1	Very low	53 Å²	53	73.6 Å²	73.6	55%	0.546	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.9	10.5	-177.7	0	0	0	0	0	114.4	E138 I139 A140 I144	E138-G142 PolarHBondContact O-N 2.85Å; I139-G142 PolarHBondContact O-N 2.81Å; I139-G142 VanDerWaalsContact O-N 3.15Å; A140-G142 PolarHBondContact O-N 3.32Å; G142-I144 VanDerWaalsContact C-N 3.34Å
143	K	39.1	Very low	39.3	Very low	165 Å²	165	81.6 Å²	81.6	72%	0.717	49%	0.487	S	S	*	.			trans	-68.8	-35.1	176.5	-75.4	-178.7	179.5	179.6	0	112	E138 S141	E138-K143 HydrophobicContact CB-CB 4.27Å; E138-K143 HydrophobicContact CG-CB 4.38Å; E138-K143 HydrophobicContact CG-CD 4.4Å; E138-K143 PolarHBondContact O-N 3.48Å; S141-K143 PolarHBondContact O-N 3.46Å; S141-K143 WeakPolarHBondContact OG-CG 3.13Å
144	I	35.4	Very low	38.3	Very low	62 Å²	62	84.9 Å²	84.9	32%	0.318	50%	0.503	S	S	.	.	S	Bend	trans	-88.6	104.2	164.7	-68.4	165.3	0	0	0	106.3	I135 E138 I139 G142 V146	I135-I144 HydrophobicContact CG2-CD1 4.46Å; E138-I144 HydrophobicContact CB-CD1 3.51Å; E138-I144 HydrophobicContact CB-CG1 3.79Å; E138-I144 PolarHBondContact O-N 3.3Å; E138-I144 VanDerWaalsContact O-N 3.08Å; E138-I144 WeakPolarHBondContact OE2-CD1 3.19Å; I139-I144 HydrophobicContact CG1-CB 4.19Å; I139-I144 HydrophobicContact CG1-CD1 4.13Å; I139-I144 HydrophobicContact CG1-CG2 4.31Å; G142-I144 VanDerWaalsContact C-N 3.34Å; I144-V146 HydrophobicContact CG2-CG2 4.24Å; I144-V146 PolarHBondContact O-N 2.77Å
145	A	30.7	Very low	37.3	Very low	86 Å²	86	89 Å²	89	71%	0.711	52%	0.521	S	S	*	.			trans	-64.3	105.9	164.2	0	0	0	0	0	107.2	E147	A145-E147 PolarHBondContact O-N 2.08Å; A145-E147 VanDerWaalsContact O-N 3.14Å
146	V	34	Very low	36.3	Very low	56 Å²	56	93.9 Å²	93.9	34%	0.339	55%	0.548	S	S	.	.			trans	-79	97.3	168.7	-175.4	0	0	0	0	105.9	V81 I139 I144 P148	V81-V146 HydrophobicContact CB-CG1 3.94Å; V81-V146 HydrophobicContact CG1-CG1 3.57Å; V81-V146 HydrophobicContact CG1-CG2 4.47Å; V81-V146 HydrophobicContact CG2-CB 4.37Å; V81-V146 HydrophobicContact CG2-CG1 3.71Å; V81-V146 HydrophobicContact CG2-CG2 4.41Å; I139-V146 HydrophobicContact CG2-CG2 4.14Å; I144-V146 HydrophobicContact CG2-CG2 4.24Å; I144-V146 PolarHBondContact O-N 2.77Å; V146-P148 WeakPolarHBondContact O-CD 3.2Å
147	E	28.3	Very low	35.2	Very low	169 Å²	169	99.4 Å²	99.4	79%	0.79	58%	0.577	S	S	*	*			trans	-60.3	126.4	173.5	-74	-157.3	129.9	0	0	108.4	A145 S149	A145-E147 PolarHBondContact O-N 2.08Å; A145-E147 VanDerWaalsContact O-N 3.14Å; E147-S149 PolarHBondContact O-N 3.19Å
148	P	28.8	Very low	34.1	Very low	76 Å²	76	102.3 Å²	102.3	49%	0.494	59%	0.592	S	S	.	*			trans	-59.2	118.5	165.2	27.3	-31	0	0	0	105.6	S78 V146 A150	S78-P148 WeakPolarHBondContact O-CB 3.47Å; V146-P148 WeakPolarHBondContact O-CD 3.2Å; P148-A150 PolarHBondContact O-N 3.26Å
149	S	30.3	Very low	33.4	Very low	75 Å²	75	102.7 Å²	102.7	52%	0.524	61%	0.609	S	S	.	*			trans	-55	114.4	164.3	-174	0	0	0	0	104.4	E147 V151	E147-S149 PolarHBondContact O-N 3.19Å; S149-V151 PolarHBondContact O-N 3.47Å
150	A	26.8	Very low	32.4	Very low	68 Å²	68	108.2 Å²	108.2	56%	0.562	65%	0.645	S	S	*	*			trans	-46.3	118.8	165.8	0	0	0	0	0	104.8	P148 D152	P148-A150 PolarHBondContact O-N 3.26Å; A150-D152 PolarHBondContact O-N 2.07Å
151	V	30.2	Very low	31.9	Very low	131 Å²	131	115.3 Å²	115.3	79%	0.794	67%	0.673	S	S	*	*			trans	-68.2	85.7	160.3	-177.7	0	0	0	0	101.6	S149 E153	S149-V151 PolarHBondContact O-N 3.47Å; V151-E153 VanDerWaalsContact C-N 3.3Å; V151-E153 PolarHBondContact O-N 3.44Å
152	D	28	Very low	31	Very low	125 Å²	125	120.9 Å²	120.9	67%	0.668	69%	0.692	S	S	*	*			trans	-54.7	113.2	158.3	-75.6	-39.1	0	0	0	103.2	A150 I154	A150-D152 PolarHBondContact O-N 2.07Å; D152-I154 PolarHBondContact O-N 3Å
153	E	29.7	Very low	30.6	Very low	174 Å²	174	123.3 Å²	123.3	81%	0.813	71%	0.707	S	S	*	*			trans	-47.5	108.1	152.5	-85.2	-175.7	121.5	0	0	103.8	V151 T155	V151-E153 VanDerWaalsContact C-N 3.3Å; V151-E153 PolarHBondContact O-N 3.44Å; E153-T155 PolarHBondContact O-N 2.88Å
154	I	32.6	Very low	30.1	Very low	161 Å²	161	121.3 Å²	121.3	83%	0.826	71%	0.709	S	S	*	*			trans	-68.6	80.6	175.3	-53.9	173.5	0	0	0	104.4	D152 D156	D152-I154 PolarHBondContact O-N 3Å; I154-D156 PolarHBondContact O-N 3.08Å
155	T	29.1	Very low	29.9	Very low	120 Å²	120	122.4 Å²	122.4	74%	0.736	72%	0.715	S	S	*	*			trans	-68.1	111	151.2	43.2	0	0	0	0	104.8	E153 D157	E153-T155 PolarHBondContact O-N 2.88Å; T155-D157 VanDerWaalsContact C-N 3.31Å; T155-D157 PolarHBondContact O-N 2.95Å
156	D	29.2	Very low	30	Very low	149 Å²	149	124.8 Å²	124.8	80%	0.797	72%	0.721	S	S	*	*	S	Bend	trans	-43.2	82.6	176.3	-160.1	8.8	0	0	0	111.9	I154	I154-D156 PolarHBondContact O-N 3.08Å
157	D	27.6	Very low	30	Very low	141 Å²	141	129.8 Å²	129.8	75%	0.754	74%	0.738	S	S	*	*			trans	-166.1	106.7	167.6	-91.4	-40.4	0	0	0	110	T155	T155-D157 VanDerWaalsContact C-N 3.31Å; T155-D157 PolarHBondContact O-N 2.95Å
158	T	27.4	Very low	29.9	Very low	133 Å²	133	125.2 Å²	125.2	82%	0.816	74%	0.736	S	S	*	*			trans	50.3	99.4	149.8	55.2	0	0	0	0	118.9
159	A	32	Very low	29.9	Very low	94 Å²	94	123.4 Å²	123.4	78%	0.777	73%	0.732	S	S	*	*			trans	-142	76.5	155.3	0	0	0	0	0	110.9	E161	A159-E161 VanDerWaalsContact C-N 3.25Å; A159-E161 PolarHBondContact O-N 2.55Å
160	T	28.3	Very low	29.6	Very low	142 Å²	142	126.9 Å²	126.9	87%	0.871	75%	0.75	S	S	*	*			trans	-71.5	84.2	148.5	33.9	0	0	0	0	107.6
161	E	35.1	Very low	29.8	Very low	180 Å²	180	130.5 Å²	130.5	84%	0.841	76%	0.759	S	S	*	*			trans	-140.8	140.2	168	-74.8	-162.8	125	0	0	111.1	A159 A163	A159-E161 VanDerWaalsContact C-N 3.25Å; A159-E161 PolarHBondContact O-N 2.55Å; E161-A163 PolarHBondContact O-N 2.98Å
162	E	28.2	Very low	29.6	Very low	178 Å²	178	132.1 Å²	132.1	83%	0.832	76%	0.763	S	S	*	*			trans	-54.3	122.6	-171.5	-61.2	178.9	112.5	0	0	111.3	T164	E162-T164 PolarHBondContact O-N 2.96Å
163	A	31.9	Very low	29.9	Very low	105 Å²	105	131.2 Å²	131.2	87%	0.868	76%	0.762	S	S	*	*			trans	-66.5	92.3	163	0	0	0	0	0	107.5	E161 D165	E161-A163 PolarHBondContact O-N 2.98Å; A163-D165 PolarHBondContact O-N 2.82Å; A163-D165 VanDerWaalsContact O-N 3.17Å
164	T	28.4	Very low	29.7	Very low	122 Å²	122	130 Å²	130	75%	0.748	76%	0.756	S	S	*	*			trans	-63.5	114.9	171.1	27.9	0	0	0	0	107.9	E162 V166	E162-T164 PolarHBondContact O-N 2.96Å; T164-V166 PolarHBondContact O-N 2.84Å; T164-V166 VanDerWaalsContact O-N 3.13Å
165	D	30.7	Very low	29.5	Very low	86 Å²	86	128.4 Å²	128.4	46%	0.46	76%	0.759	S	S	.	*			trans	-61.1	110.1	179.2	-178.1	20	0	0	0	109.9	A163 F167 G168 G169	A163-D165 PolarHBondContact O-N 2.82Å; A163-D165 VanDerWaalsContact O-N 3.17Å; D165-F167 PolarHBondContact O-N 2.96Å; D165-F167 VanDerWaalsContact O-N 3.07Å; D165-F167 WeakPolarHBondContact OD1-CA 3.43Å; D165-F167 WeakPolarHBondContact OD1-CB 3.43Å; D165-F167 PolarHBondContact OD1-N 2.86Å; D165-G168 PolarHBondContact O-N 3.1Å; D165-G168 VanDerWaalsContact O-N 3.15Å; D165-G168 PolarHBondContact OD2-N 3.02Å; D165-G168 VanDerWaalsContact OD2-N 3.16Å; D165-G169 PolarHBondContact OD2-N 3.45Å
166	V	34.4	Very low	29.6	Very low	136 Å²	136	130.3 Å²	130.3	82%	0.824	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.9	-12.2	172	179.3	0	0	0	0	111.1	T164	T164-V166 PolarHBondContact O-N 2.84Å; T164-V166 VanDerWaalsContact O-N 3.13Å
167	F	32.6	Very low	29.5	Very low	161 Å²	161	130.6 Å²	130.6	71%	0.706	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.8	4.5	177.9	-67.5	-82.3	0	0	0	115.3	D165 G169	D165-F167 PolarHBondContact O-N 2.96Å; D165-F167 VanDerWaalsContact O-N 3.07Å; D165-F167 WeakPolarHBondContact OD1-CA 3.43Å; D165-F167 WeakPolarHBondContact OD1-CB 3.43Å; D165-F167 PolarHBondContact OD1-N 2.86Å; F167-G169 PolarHBondContact O-N 2.81Å
168	G	26.1	Very low	29.5	Very low	73 Å²	73	132.8 Å²	132.8	75%	0.753	77%	0.765	S	S	*	*			trans	51.7	27.9	167.1	0	0	0	0	0	115.8	D165	D165-G168 PolarHBondContact O-N 3.1Å; D165-G168 VanDerWaalsContact O-N 3.15Å; D165-G168 PolarHBondContact OD2-N 3.02Å; D165-G168 VanDerWaalsContact OD2-N 3.16Å
169	G	28.3	Very low	29.7	Very low	38 Å²	38	132.7 Å²	132.7	39%	0.392	76%	0.755	S	S	.	*			trans	-123	101.8	-173.9	0	0	0	0	0	111.4	D165 F167 L171	D165-G169 PolarHBondContact OD2-N 3.45Å; F167-G169 PolarHBondContact O-N 2.81Å; G169-L171 PolarHBondContact O-N 2.84Å
170	T	24.9	Very low	29.5	Very low	147 Å²	147	136 Å²	136	90%	0.902	75%	0.754	S	S	*	*			trans	-62.1	103	165.2	14.6	0	0	0	0	109.4
171	L	30.6	Very low	29.6	Very low	145 Å²	145	136.6 Å²	136.6	76%	0.759	76%	0.757	S	S	*	*			trans	-93.5	94.4	169.4	-87.6	162.6	0	0	0	108.7	G169 V173	G169-L171 PolarHBondContact O-N 2.84Å; L171-V173 HydrophobicContact CB-CG2 4.2Å; L171-V173 PolarHBondContact O-N 3Å; L171-V173 VanDerWaalsContact O-N 3.12Å
172	D	25.5	Very low	29.5	Very low	164 Å²	164	133.1 Å²	133.1	88%	0.877	76%	0.759	S	S	*	*			trans	-57.4	105.9	158.3	-105.7	-66.1	0	0	0	108.2
173	V	34.3	Very low	29.9	Very low	107 Å²	107	128.2 Å²	128.2	65%	0.648	76%	0.756	S	S	*	*			trans	-127.3	99.6	171.4	-172.9	0	0	0	0	108.4	L171 S175	L171-V173 HydrophobicContact CB-CG2 4.2Å; L171-V173 PolarHBondContact O-N 3Å; L171-V173 VanDerWaalsContact O-N 3.12Å; V173-S175 PolarHBondContact O-N 2.99Å; V173-S175 VanDerWaalsContact O-N 3.07Å
174	E	26.2	Very low	30.4	Very low	149 Å²	149	132.4 Å²	132.4	70%	0.696	76%	0.758	S	S	*	*			trans	-39.7	110.9	161.7	-109	-177	91.1	0	0	110.1	K176	E174-K176 PolarHBondContact O-N 2.84Å; E174-K176 VanDerWaalsContact O-N 3.08Å; E174-K176 IonicContact OE1-NZ 2.78Å; E174-K176 PolarHBondContact OE1-NZ 2.85Å
175	S	28.5	Very low	31.1	Very low	126 Å²	126	134.2 Å²	134.2	88%	0.881	76%	0.763	S	S	*	*			trans	-77.3	89.2	171.4	-66.6	0	0	0	0	109.1	V173	V173-S175 PolarHBondContact O-N 2.99Å; V173-S175 VanDerWaalsContact O-N 3.07Å
176	K	30.5	Very low	32.2	Very low	160 Å²	160	137.8 Å²	137.8	70%	0.696	78%	0.78	S	S	*	*			trans	-109.4	106.1	164.8	-89.7	174.5	179.3	143.9	0	110.2	E174	E174-K176 PolarHBondContact O-N 2.84Å; E174-K176 VanDerWaalsContact O-N 3.08Å; E174-K176 IonicContact OE1-NZ 2.78Å; E174-K176 PolarHBondContact OE1-NZ 2.85Å
177	Q	27.1	Very low	33.1	Very low	155 Å²	155	136.8 Å²	136.8	72%	0.724	78%	0.777	S	S	*	*			trans	46.8	100	145.3	-67.7	179	-24.9	0	0	117.7
178	L	27.8	Very low	34.2	Very low	188 Å²	188	136.7 Å²	136.7	98%	0.984	78%	0.784	S	S	*	*			trans	-110	77.3	144.4	-120.1	102.6	0	0	0	107.4
179	E	31.9	Very low	35.7	Very low	130 Å²	130	141.3 Å²	141.3	61%	0.607	79%	0.791	S	S	*	*			trans	-85.5	135.2	161.7	-90.8	-176.9	84.8	0	0	108.8
180	Q	29.1	Very low	36.6	Very low	163 Å²	163	146.4 Å²	146.4	76%	0.762	84%	0.844	S	S	*	*			trans	65	85	150.7	-59	173.8	26	0	0	118
181	V	29.8	Very low	37.2	Very low	156 Å²	156	146.4 Å²	146.4	95%	0.945	84%	0.841	S	S	*	*			trans	-143.4	71.4	145.6	-164.7	0	0	0	0	109.4
182	A	33.6	Very low	37.6	Very low	106 Å²	106	146.4 Å²	146.4	88%	0.876	85%	0.845	S	S	*	*			trans	-153.5	116.9	164.4	0	0	0	0	0	108.2
183	G	34.7	Very low	38.2	Very low	75 Å²	75	145.4 Å²	145.4	77%	0.773	84%	0.843	S	S	*	*			trans	125.5	76.6	171.4	0	0	0	0	0	113.1
184	E	42.9	Very low	38.5	Very low	194 Å²	194	147.7 Å²	147.7	91%	0.907	86%	0.855	S	S	*	*			trans	-50	133.4	166.4	-148.6	162.5	97.2	0	0	111.1	I186	E184-I186 PolarHBondContact O-N 2.9Å
185	N	43	Very low	39.2	Very low	159 Å²	159	147.6 Å²	147.6	85%	0.85	87%	0.865	S	S	*	*			trans	-61.8	120.5	177.8	-71.5	-64.3	0	0	0	111.3
186	I	54.4	Low	40	Very low	161 Å²	161	149.1 Å²	149.1	83%	0.826	86%	0.863	S	S	*	*			trans	-102.6	113.5	157.7	-57.4	175.4	0	0	0	106.4	E184	E184-I186 PolarHBondContact O-N 2.9Å
187	P	54.1	Low	40.6	Very low	115 Å²	115	148.3 Å²	148.3	75%	0.747	88%	0.875	S	S	*	*			trans	-78.2	124.8	171	29.8	-28.9	0	0	0	109.8
188	D	55.9	Low	41.7	Very low	160 Å²	160	147.8 Å²	147.8	86%	0.856	89%	0.887	S	S	*	*			trans	-95.4	109.2	165.1	-166.5	-108.1	0	0	0	106.7
189	D	56.7	Low	42.8	Very low	169 Å²	169	144.4 Å²	144.4	90%	0.904	88%	0.879	S	S	*	*			trans	-140.6	104.6	174.9	-150.7	-78.1	0	0	0	106.7
190	G	48	Very low	43.8	Very low	145 Å²	145	145.7 Å²	145.7	100%	1.495	90%	0.904	S	S	*	*			trans	152.1	0	178.9	0	0	0	0	0	115.1

Retrieved 190 of 190 residues in 41.1 ms (Link to these results)

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