A0A077Z230_TRITR Loading...

EF-hand 7 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z230, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 205 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	35.4	Very low	42.8	Very low	228 Å²	228	178.9 Å²	178.9	100%	1.123	84%	0.835	S	S	*	*				0	98.3	0	-154.2	-177	-150.1	0	0	104.9
2	F	37.4	Very low	42.9	Very low	188 Å²	188	175 Å²	175	83%	0.825	82%	0.824	S	S	*	*			cis	-145.9	124.8	49.2	-92.7	-103.3	0	0	0	110.2
3	L	42.9	Very low	43.2	Very low	162 Å²	162	178.5 Å²	178.5	85%	0.848	83%	0.825	S	S	*	*			trans	-78.4	118.9	158.8	-92.8	153.2	0	0	0	108.1
4	F	43.4	Very low	43.8	Very low	180 Å²	180	172.4 Å²	172.4	79%	0.789	81%	0.812	S	S	*	*			trans	-135.7	72	158.6	-138.5	-93.1	0	0	0	110.3	S6	F4-S6 VanDerWaalsContact CE1-CB 3.45Å; F4-S6 PolarHBondContact O-N 3.04Å
5	K	38.2	Very low	44.4	Very low	201 Å²	201	173.3 Å²	173.3	87%	0.874	81%	0.812	S	S	*	*			trans	-83	96.2	150.6	-83.6	-173.6	174.6	178.2	0	107.2
6	S	41.6	Very low	44.9	Very low	91 Å²	91	170.9 Å²	170.9	64%	0.636	81%	0.807	S	S	*	*			trans	-108.5	105.9	161	-161.1	0	0	0	0	109.1	F4	F4-S6 VanDerWaalsContact CE1-CB 3.45Å; F4-S6 PolarHBondContact O-N 3.04Å
7	S	41.6	Very low	45.5	Very low	110 Å²	110	167.9 Å²	167.9	77%	0.769	80%	0.802	S	S	*	*			trans	-47.6	138.4	167.9	-70.9	0	0	0	0	112.6
8	R	47	Very low	45.6	Very low	235 Å²	235	171.9 Å²	171.9	89%	0.887	81%	0.808	S	S	*	*			trans	-153.7	110.1	143.4	-107.2	174.4	-164.1	-177.1	5.2	111.7
9	H	45.2	Very low	46.2	Very low	177 Å²	177	173.1 Å²	173.1	82%	0.819	81%	0.81	S	S	*	*			trans	46.8	110.6	140.2	-77.9	-63.9	0	0	0	120.7
10	F	44.7	Very low	46.4	Very low	194 Å²	194	171.2 Å²	171.2	85%	0.851	81%	0.805	S	S	*	*				-165	95.1	129.8	-152.1	-105.3	0	0	0	108.7
11	R	53.9	Low	46.6	Very low	202 Å²	202	169.7 Å²	169.7	76%	0.762	80%	0.803	S	S	*	*				57.3	120.3	88.1	-145.7	174.8	178.3	177.5	-1.3	113.8
12	N	43.4	Very low	47.7	Very low	132 Å²	132	162.4 Å²	162.4	71%	0.706	77%	0.774	S	S	*	*			trans	94	116.2	149.4	-95.6	-1.4	0	0	0	121.1
13	R	47.2	Very low	48.7	Very low	221 Å²	221	165 Å²	165	83%	0.834	78%	0.778	S	S	*	*				108	109.6	117.4	-122.4	-179.8	-178.9	-167.4	0.2	118
14	S	51.2	Low	49.2	Very low	93 Å²	93	163.7 Å²	163.7	65%	0.65	77%	0.772	S	S	*	*				66.4	120	127.9	-80.8	0	0	0	0	120.5
15	K	53.2	Low	49.9	Very low	185 Å²	185	165 Å²	165	80%	0.804	77%	0.772	S	S	*	*				73.9	130.4	130	-65.5	-177	180	-176.6	0	117.8
16	D	52.8	Low	50.6	Low	136 Å²	136	166.4 Å²	166.4	73%	0.727	77%	0.773	S	S	*	*			trans	113.1	119.6	138.6	-91.3	-55.1	0	0	0	119.1
17	T	54.1	Low	51	Low	120 Å²	120	169 Å²	169	74%	0.736	78%	0.779	S	S	*	*			trans	79.6	105.6	146.9	68.2	0	0	0	0	120
18	R	46.8	Very low	51.3	Low	240 Å²	240	169.5 Å²	169.5	91%	0.906	78%	0.781	S	S	*	*			trans	-0.4	121.1	133.8	-66.9	173.2	178.2	161.6	-1.1	114.6
19	K	57	Low	51.4	Low	194 Å²	194	164.8 Å²	164.8	84%	0.843	78%	0.781	S	S	*	*			trans	-174.3	123.8	133.2	-99.8	160.6	-173.5	-176.3	0	110.6
20	D	50.4	Low	51.6	Low	134 Å²	134	163.7 Å²	163.7	72%	0.717	78%	0.781	S	S	*	*			trans	64.7	73.1	149.3	-56.5	-56	0	0	0	118.7	S22	D20-S22 VanDerWaalsContact C-N 3.27Å; D20-S22 PolarHBondContact O-N 3.24Å
21	D	50.3	Low	51.6	Low	141 Å²	141	162.8 Å²	162.8	75%	0.754	78%	0.78	S	S	*	*			trans	-76.2	79.8	157.4	-141.4	-38.5	0	0	0	109.5
22	S	59.4	Low	51.4	Low	75 Å²	75	162.8 Å²	162.8	52%	0.524	79%	0.785	S	S	.	*			trans	-105	12.1	176.2	-71.2	0	0	0	0	113.3	D20	D20-S22 VanDerWaalsContact C-N 3.27Å; D20-S22 PolarHBondContact O-N 3.24Å
23	R	57.9	Low	51.6	Low	241 Å²	241	160.4 Å²	160.4	91%	0.909	78%	0.784	S	S	*	*			trans	-96.4	-1.9	-176.8	-84.3	-176.9	147.6	159	-5.6	115.4
24	L	53.9	Low	51.6	Low	136 Å²	136	156.4 Å²	156.4	71%	0.712	78%	0.784	S	S	*	*			trans	-104.9	74.6	174.2	-96	151.9	0	0	0	111.2
25	R	58.5	Low	51.3	Low	207 Å²	207	157.2 Å²	157.2	78%	0.781	79%	0.79	S	S	*	*			trans	-130.2	-0.1	171.5	-69.6	-159.6	-163.6	-119	5.1	115.8
26	Y	52.1	Low	51.1	Low	230 Å²	230	153.5 Å²	153.5	90%	0.902	79%	0.787	S	S	*	*			trans	-97.1	18.4	-171.8	-81.9	-83.4	0	0	0	115.7
27	L	50.6	Low	50.7	Low	145 Å²	145	156.3 Å²	156.3	76%	0.759	79%	0.793	S	S	*	*			trans	-119.8	80.6	179.4	-68.4	169	0	0	0	110.8
28	C	48.5	Very low	50.6	Low	122 Å²	122	156.5 Å²	156.5	82%	0.824	79%	0.794	S	S	*	*			trans	174.7	118.5	152.7	-97.8	0	0	0	0	110.9
29	P	48.7	Very low	50.4	Low	135 Å²	135	151 Å²	151	88%	0.877	79%	0.787	S	S	*	*			trans	-87.5	109.2	161.1	30.8	-23.5	0	0	0	108.9
30	N	49.3	Very low	49.7	Very low	154 Å²	154	146.9 Å²	146.9	82%	0.824	78%	0.783	S	S	*	*			trans	-100	110.4	173	-161	-3	0	0	0	110
31	Q	45.3	Very low	49.5	Very low	176 Å²	176	145.7 Å²	145.7	82%	0.822	79%	0.791	S	S	*	*			trans	-72.6	127.1	165.6	-71	-172.3	-15.9	0	0	109.6
32	K	49.8	Very low	49	Very low	201 Å²	201	142.3 Å²	142.3	87%	0.874	79%	0.79	S	S	*	*			trans	-173.5	114.7	142.4	-104.1	164.9	-168.7	-172.8	0	112.8
33	A	46.8	Very low	48.1	Very low	83 Å²	83	144.9 Å²	144.9	69%	0.686	81%	0.808	S	S	*	*			trans	48.8	113.8	131.6	0	0	0	0	0	122.4
34	T	46.2	Very low	47.7	Very low	136 Å²	136	142.2 Å²	142.2	83%	0.834	81%	0.806	S	S	*	*				51.6	120.2	126.8	70	0	0	0	0	121.9
35	S	46.5	Very low	47.1	Very low	110 Å²	110	140.9 Å²	140.9	77%	0.769	81%	0.805	S	S	*	*				139	137	112.2	-161.7	0	0	0	0	115.5
36	S	47.4	Very low	46.3	Very low	107 Å²	107	136.8 Å²	136.8	75%	0.748	81%	0.808	S	S	*	*			trans	81.6	104.4	162	-29.9	0	0	0	0	117.4
37	K	46.3	Very low	45.5	Very low	196 Å²	196	129.8 Å²	129.8	85%	0.852	81%	0.806	S	S	*	*				74.1	109	70.4	-166.8	179.4	-173.3	179.9	0	114.4
38	V	50.2	Low	44.5	Very low	123 Å²	123	126.3 Å²	126.3	75%	0.745	81%	0.805	S	S	*	*				167.2	116.3	126.1	-80.2	0	0	0	0	111.2
39	T	42.4	Very low	44.1	Very low	126 Å²	126	130.3 Å²	130.3	77%	0.773	81%	0.809	S	S	*	*				48.1	135.7	115.8	66.5	0	0	0	0	116.2
40	S	43.7	Very low	43.3	Very low	107 Å²	107	127.6 Å²	127.6	75%	0.748	81%	0.805	S	S	*	*			cis	177.3	156.3	12.6	35.1	0	0	0	0	109.3
41	A	45.4	Very low	42.8	Very low	108 Å²	108	125.9 Å²	125.9	89%	0.893	81%	0.805	S	S	*	*			trans	79.3	127.6	153.1	0	0	0	0	0	120.7
42	G	40.8	Very low	42.5	Very low	71 Å²	71	127.1 Å²	127.1	73%	0.732	81%	0.808	S	S	*	*			trans	145.5	86.2	152.8	0	0	0	0	0	117.2
43	S	41	Very low	41.9	Very low	129 Å²	129	126.6 Å²	126.6	90%	0.902	81%	0.805	S	S	*	*			trans	70.7	107.5	145.3	-52.8	0	0	0	0	121.4
44	Q	49.4	Very low	41.4	Very low	185 Å²	185	127.7 Å²	127.7	86%	0.864	81%	0.806	S	S	*	*			trans	-67.6	-176	153.3	-84.5	-173.5	-68.8	0	0	112.4
45	P	40.6	Very low	40.9	Very low	107 Å²	107	126.6 Å²	126.6	70%	0.695	80%	0.801	S	S	*	*			cis	-140.5	165.8	-40.5	36.3	-20	0	0	0	113
46	S	41.5	Very low	40.8	Very low	121 Å²	121	128.7 Å²	128.7	85%	0.846	80%	0.802	S	S	*	*			trans	-173.9	124.2	150.2	43.4	0	0	0	0	113.7
47	G	34.6	Very low	40.6	Very low	83 Å²	83	129.2 Å²	129.2	86%	0.856	80%	0.8	S	S	*	*			trans	46.9	117.1	151.7	0	0	0	0	0	118.8
48	G	31	Very low	41.1	Very low	72 Å²	72	123 Å²	123	74%	0.742	78%	0.775	S	S	*	*			cis	97.8	86.6	42.9	0	0	0	0	0	109.9
49	K	39	Very low	41.5	Very low	207 Å²	207	119.9 Å²	119.9	90%	0.9	76%	0.759	S	S	*	*			trans	-179.1	104.7	145.6	-99	167.5	-170.3	-171.8	0	108.2	S51	K49-S51 PolarHBondContact O-N 2.66Å
50	G	32.5	Very low	42.7	Very low	77 Å²	77	120.8 Å²	120.8	79%	0.794	76%	0.759	S	S	*	*			trans	-65.9	118.8	179.3	0	0	0	0	0	110.9	K52	G50-K52 VanDerWaalsContact C-N 3.28Å; G50-K52 PolarHBondContact O-N 3.38Å
51	S	38.1	Very low	43.7	Very low	119 Å²	119	122.4 Å²	122.4	83%	0.832	76%	0.755	S	S	*	*			trans	-66.8	84.7	166.6	-46.5	0	0	0	0	109.2	K49 K53	K49-S51 PolarHBondContact O-N 2.66Å; S51-K53 VanDerWaalsContact C-N 3.28Å; S51-K53 PolarHBondContact O-N 3.24Å; S51-K53 VanDerWaalsContact O-N 3.13Å
52	K	39	Very low	44.6	Very low	201 Å²	201	119 Å²	119	87%	0.874	72%	0.722	S	S	*	*			trans	-78.1	88.3	160.7	-72	-167.1	-178.7	-177.4	0	106.9	G50	G50-K52 VanDerWaalsContact C-N 3.28Å; G50-K52 PolarHBondContact O-N 3.38Å
53	K	38.3	Very low	46	Very low	190 Å²	190	118.9 Å²	118.9	83%	0.826	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-53.1	126.9	163.3	-81.2	-176.3	173.2	-174.1	0	107.4	S51	S51-K53 VanDerWaalsContact C-N 3.28Å; S51-K53 PolarHBondContact O-N 3.24Å; S51-K53 VanDerWaalsContact O-N 3.13Å
54	P	36.4	Very low	47.5	Very low	107 Å²	107	115.3 Å²	115.3	70%	0.695	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-59.1	147.7	173.2	25.4	-31.4	0	0	0	109.1	I56	P54-I56 PolarHBondContact O-N 2.93Å
55	P	35.8	Very low	48.6	Very low	112 Å²	112	110.6 Å²	110.6	73%	0.727	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-55.3	135.3	171.9	24.4	-31.6	0	0	0	108.5	V57	P55-V57 VanDerWaalsContact C-N 3.3Å; P55-V57 PolarHBondContact O-N 3.18Å
56	I	43.3	Very low	50.3	Low	154 Å²	154	107.2 Å²	107.2	79%	0.79	63%	0.634	S	S	*	*			trans	-62.1	94.8	176.8	-58.3	166.6	0	0	0	106.9	P54 I58	P54-I56 PolarHBondContact O-N 2.93Å; I56-I58 PolarHBondContact O-N 3.46Å
57	V	44.4	Very low	52.1	Low	118 Å²	118	108.5 Å²	108.5	72%	0.715	62%	0.62	S	S	*	*			trans	-79	109.9	167.1	-176.3	0	0	0	0	104.6	P55 S59	P55-V57 VanDerWaalsContact C-N 3.3Å; P55-V57 PolarHBondContact O-N 3.18Å; V57-S59 VanDerWaalsContact C-N 3.3Å; V57-S59 PolarHBondContact O-N 3.13Å
58	I	54.9	Low	54.2	Low	65 Å²	65	106.6 Å²	106.6	33%	0.333	60%	0.597	S	S	.	*			trans	-63.2	102.6	166.5	-58.2	178	0	0	0	104.9	I56 L62 L63 V123	I56-I58 PolarHBondContact O-N 3.46Å; I58-L62 HydrophobicContact CG2-CB 4.32Å; I58-L62 HydrophobicContact CG2-CD2 4.27Å; I58-L62 HydrophobicContact CG2-CG 4.41Å; I58-L63 HydrophobicContact CG2-CB 4.1Å; I58-V123 HydrophobicContact CD1-CG1 4.12Å
59	S	59.2	Low	56.5	Low	58 Å²	58	104.6 Å²	104.6	41%	0.406	57%	0.573	S	S	.	*			trans	-63.8	150.6	176	57.8	0	0	0	0	109.2	V57 E61 L62 L63	V57-S59 VanDerWaalsContact C-N 3.3Å; V57-S59 PolarHBondContact O-N 3.13Å; S59-E61 PolarHBondContact O-N 3.2Å; S59-E61 VanDerWaalsContact O-N 3.1Å; S59-L62 PolarHBondContact O-N 3.12Å; S59-L62 WeakPolarHBondContact OG-CB 3.42Å; S59-L62 PolarHBondContact OG-N 2.92Å; S59-L63 PolarHBondContact O-N 3.36Å
60	D	67.4	Low	58.6	Low	145 Å²	145	95.3 Å²	95.3	78%	0.775	53%	0.533	S	S	*	.	H	α-helix	trans	-55.5	-29.8	176	-69.9	-36.4	0	0	0	111.6	A64	D60-A64 WeakPolarHBondContact O-CB 3.41Å; D60-A64 PolarHBondContact O-N 2.99Å
61	E	64.6	Low	61	Low	141 Å²	141	96.7 Å²	96.7	66%	0.659	52%	0.518	S	S	*	.	H	α-helix	trans	-67	-46.9	173.6	-174.5	173.3	-169	0	0	112.7	S59 L63 A64 Q65	S59-E61 PolarHBondContact O-N 3.2Å; S59-E61 VanDerWaalsContact O-N 3.1Å; E61-L63 VanDerWaalsContact C-N 3.27Å; E61-L63 PolarHBondContact O-N 2.88Å; E61-A64 CarbonylContact O-C 3.42Å; E61-A64 WeakPolarHBondContact O-CB 3.18Å; E61-A64 PolarHBondContact O-N 3.44Å; E61-A64 VanDerWaalsContact O-N 3.12Å; E61-Q65 WeakPolarHBondContact O-CG 3.22Å; E61-Q65 PolarHBondContact O-N 3Å
62	L	65.6	Low	63	Low	38 Å²	38	97.5 Å²	97.5	20%	0.199	51%	0.511	C	S	.	.	H	α-helix	trans	-62.6	-39.2	176.1	-176.1	62.1	0	0	0	110.8	I58 S59 A64 Q65 Y66	I58-L62 HydrophobicContact CG2-CB 4.32Å; I58-L62 HydrophobicContact CG2-CD2 4.27Å; I58-L62 HydrophobicContact CG2-CG 4.41Å; S59-L62 PolarHBondContact O-N 3.12Å; S59-L62 WeakPolarHBondContact OG-CB 3.42Å; S59-L62 PolarHBondContact OG-N 2.92Å; L62-A64 VanDerWaalsContact C-N 3.33Å; L62-A64 PolarHBondContact O-N 2.97Å; L62-Q65 WeakPolarHBondContact O-CB 3.36Å; L62-Q65 PolarHBondContact O-N 2.91Å; L62-Y66 HydrophobicContact CD1-CD1 4.21Å; L62-Y66 HydrophobicContact CD1-CE1 3.55Å; L62-Y66 HydrophobicContact CD1-CE2 4.27Å; L62-Y66 HydrophobicContact CD2-CE2 4.08Å; L62-Y66 HydrophobicContact CG-CD2 4.33Å; L62-Y66 HydrophobicContact CG-CE1 4.01Å; L62-Y66 HydrophobicContact CG-CE2 3.8Å; L62-Y66 VanDerWaalsContact O-CG 3.28Å; L62-Y66 PolarHBondContact O-N 3.17Å
63	L	70.4	Confident	65.1	Low	67 Å²	67	89.2 Å²	89.2	35%	0.351	48%	0.475	S	S	.	.	H	α-helix	trans	-64.1	-39.4	174.3	-164.5	148.5	0	0	0	111.4	I58 S59 E61 Y66 R67 F119	I58-L63 HydrophobicContact CG2-CB 4.1Å; S59-L63 PolarHBondContact O-N 3.36Å; E61-L63 VanDerWaalsContact C-N 3.27Å; E61-L63 PolarHBondContact O-N 2.88Å; L63-Y66 PolarHBondContact O-N 2.68Å; L63-R67 WeakPolarHBondContact O-CB 3.23Å; L63-R67 PolarHBondContact O-N 2.94Å; L63-F119 HydrophobicContact CD2-CE1 4.42Å; L63-F119 HydrophobicContact CD2-CZ 4.13Å; L63-F119 HydrophobicContact CG-CZ 4.38Å
64	A	72.5	Confident	67.4	Low	54 Å²	54	80.5 Å²	80.5	45%	0.446	44%	0.437	S	S	.	.	H	α-helix	trans	-64.9	-38.5	173.8	0	0	0	0	0	112.1	D60 E61 L62 R67 A68	D60-A64 WeakPolarHBondContact O-CB 3.41Å; D60-A64 PolarHBondContact O-N 2.99Å; E61-A64 CarbonylContact O-C 3.42Å; E61-A64 WeakPolarHBondContact O-CB 3.18Å; E61-A64 PolarHBondContact O-N 3.44Å; E61-A64 VanDerWaalsContact O-N 3.12Å; L62-A64 VanDerWaalsContact C-N 3.33Å; L62-A64 PolarHBondContact O-N 2.97Å; A64-R67 PolarHBondContact O-N 3.22Å; A64-A68 WeakPolarHBondContact O-CB 3.39Å; A64-A68 PolarHBondContact O-N 3.01Å
65	Q	71	Confident	69.4	Low	86 Å²	86	79.1 Å²	79.1	40%	0.402	43%	0.43	S	S	.	.	H	α-helix	trans	-64.8	-44.3	173.3	-68.9	-177.5	32.7	0	0	111.5	E61 L62 R67 A68 A69	E61-Q65 WeakPolarHBondContact O-CG 3.22Å; E61-Q65 PolarHBondContact O-N 3Å; L62-Q65 WeakPolarHBondContact O-CB 3.36Å; L62-Q65 PolarHBondContact O-N 2.91Å; Q65-R67 VanDerWaalsContact C-N 3.28Å; Q65-R67 PolarHBondContact O-N 3.49Å; Q65-A68 PolarHBondContact O-N 3.18Å; Q65-A69 WeakPolarHBondContact O-CB 3.17Å; Q65-A69 PolarHBondContact O-N 3.14Å
66	Y	76.9	Confident	71.8	Confident	37 Å²	37	78.1 Å²	78.1	15%	0.145	42%	0.418	C	S	.	.	H	α-helix	trans	-62.3	-38.2	175	-67.6	-12.5	0	0	0	111.6	L62 L63 A69 F70 F122 V123 L126	L62-Y66 HydrophobicContact CD1-CD1 4.21Å; L62-Y66 HydrophobicContact CD1-CE1 3.55Å; L62-Y66 HydrophobicContact CD1-CE2 4.27Å; L62-Y66 HydrophobicContact CD2-CE2 4.08Å; L62-Y66 HydrophobicContact CG-CD2 4.33Å; L62-Y66 HydrophobicContact CG-CE1 4.01Å; L62-Y66 HydrophobicContact CG-CE2 3.8Å; L62-Y66 VanDerWaalsContact O-CG 3.28Å; L62-Y66 PolarHBondContact O-N 3.17Å; L63-Y66 PolarHBondContact O-N 2.68Å; Y66-A69 PolarHBondContact O-N 2.91Å; Y66-F70 VanDerWaalsContact O-CB 3.26Å; Y66-F70 WeakPolarHBondContact O-CB 3.34Å; Y66-F70 PolarHBondContact O-N 3.41Å; Y66-F122 WeakPolarHBondContact O-CE1 3.07Å; Y66-V123 HydrophobicContact CD2-CG1 4.18Å; Y66-V123 HydrophobicContact CD2-CG2 4.08Å; Y66-L126 HydrophobicContact CD1-CD1 3.56Å; Y66-L126 HydrophobicContact CE1-CB 4.24Å; Y66-L126 HydrophobicContact CE1-CD1 3.76Å; Y66-L126 HydrophobicContact CE2-CB 4.34Å; Y66-L126 HydrophobicContact CG-CD1 4.01Å
67	R	78.5	Confident	73.7	Confident	147 Å²	147	76.3 Å²	76.3	56%	0.555	41%	0.41	S	S	*	.	H	α-helix	trans	-67.4	-43.4	175.1	-168.9	178	-174.4	178.3	2.7	112.4	L63 A64 Q65 A69 F70 Q71 F119	L63-R67 WeakPolarHBondContact O-CB 3.23Å; L63-R67 PolarHBondContact O-N 2.94Å; A64-R67 PolarHBondContact O-N 3.22Å; Q65-R67 VanDerWaalsContact C-N 3.28Å; Q65-R67 PolarHBondContact O-N 3.49Å; R67-A69 VanDerWaalsContact C-N 3.34Å; R67-F70 WeakPolarHBondContact O-CB 3.31Å; R67-F70 PolarHBondContact O-N 3.14Å; R67-Q71 WeakPolarHBondContact O-CG 3.37Å; R67-Q71 PolarHBondContact O-N 2.97Å; R67-F119 HydrophobicContact CB-CE2 3.89Å; R67-F119 HydrophobicContact CB-CZ 4.06Å; R67-F119 HydrophobicContact CG-CE2 4.28Å; R67-F119 HydrophobicContact CG-CZ 4.5Å
68	A	78.8	Confident	75.7	Confident	44 Å²	44	75.1 Å²	75.1	36%	0.364	40%	0.4	S	S	.	.	H	α-helix	trans	-63.1	-42.1	175	0	0	0	0	0	111.4	A64 Q65 Q71 M72	A64-A68 WeakPolarHBondContact O-CB 3.39Å; A64-A68 PolarHBondContact O-N 3.01Å; Q65-A68 PolarHBondContact O-N 3.18Å; A68-Q71 PolarHBondContact O-N 2.88Å; A68-M72 WeakPolarHBondContact O-CG 3.48Å; A68-M72 PolarHBondContact O-N 3.37Å; A68-M72 VanDerWaalsContact O-N 3.15Å
69	A	80.6	Confident	77.1	Confident	30 Å²	30	73.9 Å²	73.9	25%	0.248	40%	0.403	C	S	.	.	H	α-helix	trans	-61.4	-49.1	173.2	0	0	0	0	0	110.6	Q65 Y66 R67 Q71 M72 F73 F122	Q65-A69 WeakPolarHBondContact O-CB 3.17Å; Q65-A69 PolarHBondContact O-N 3.14Å; Y66-A69 PolarHBondContact O-N 2.91Å; R67-A69 VanDerWaalsContact C-N 3.34Å; A69-Q71 VanDerWaalsContact C-N 3.31Å; A69-Q71 PolarHBondContact O-N 2.74Å; A69-M72 WeakPolarHBondContact O-CA 3.26Å; A69-M72 WeakPolarHBondContact O-CB 3.29Å; A69-M72 PolarHBondContact O-N 3.18Å; A69-F73 WeakPolarHBondContact O-CD2 3.47Å; A69-F73 PolarHBondContact O-N 3.18Å; A69-F73 VanDerWaalsContact O-N 3.16Å; A69-F122 HydrophobicContact CB-CE1 4.18Å; A69-F122 HydrophobicContact CB-CZ 4.19Å
70	F	82.1	Confident	78.4	Confident	11 Å²	11	72.1 Å²	72.1	5%	0.048	39%	0.391	C	S	.	.	H	α-helix	trans	-54.2	-46.1	177.9	-172	-88.7	0	0	0	112	Y66 R67 M72 F73 D74 G79 I81 F119 F122	Y66-F70 VanDerWaalsContact O-CB 3.26Å; Y66-F70 WeakPolarHBondContact O-CB 3.34Å; Y66-F70 PolarHBondContact O-N 3.41Å; R67-F70 WeakPolarHBondContact O-CB 3.31Å; R67-F70 PolarHBondContact O-N 3.14Å; F70-M72 PolarHBondContact O-N 3Å; F70-F73 WeakPolarHBondContact O-CA 3.34Å; F70-F73 WeakPolarHBondContact O-CB 3.09Å; F70-F73 PolarHBondContact O-N 3.42Å; F70-D74 HydrophobicContact CD1-CB 4.18Å; F70-D74 HydrophobicContact CE1-CB 3.9Å; F70-D74 WeakPolarHBondContact O-CB 3.4Å; F70-D74 PolarHBondContact O-N 3.39Å; F70-G79 VanDerWaalsContact CZ-O 3.3Å; F70-G79 WeakPolarHBondContact CZ-O 3.42Å; F70-I81 HydrophobicContact CD2-CD1 3.43Å; F70-I81 VanDerWaalsContact CD2-CD1 3.43Å; F70-I81 HydrophobicContact CD2-CG1 4.04Å; F70-I81 HydrophobicContact CE2-CD1 3.46Å; F70-I81 VanDerWaalsContact CE2-CD1 3.46Å; F70-I81 HydrophobicContact CE2-CG1 3.63Å; F70-I81 HydrophobicContact CG-CD1 4.21Å; F70-I81 HydrophobicContact CZ-CD1 4.26Å; F70-I81 HydrophobicContact CZ-CG1 3.96Å; F70-F119 HydrophobicContact CB-CD2 3.92Å; F70-F119 HydrophobicContact CB-CE2 4.3Å; F70-F119 HydrophobicContact CD1-CD2 4.28Å; F70-F119 HydrophobicContact CD2-CB 4.31Å; F70-F119 AromaticContact CD2-CD2 3.98Å; F70-F119 HydrophobicContact CD2-CD2 3.98Å; F70-F119 HydrophobicContact CE1-CB 4.45Å; F70-F119 HydrophobicContact CE2-CB 4.15Å; F70-F119 AromaticContact CG-CD2 3.78Å; F70-F119 HydrophobicContact CG-CD2 3.78Å; F70-F119 HydrophobicContact CZ-CB 4.23Å; F70-F122 HydrophobicContact CB-CD1 4.21Å; F70-F122 HydrophobicContact CB-CE1 4.26Å; F70-F122 HydrophobicContact CD2-CB 3.79Å; F70-F122 AromaticContact CD2-CD1 3.98Å; F70-F122 HydrophobicContact CD2-CD1 3.98Å; F70-F122 HydrophobicContact CD2-CD2 4.36Å; F70-F122 AromaticContact CD2-CG 3.81Å; F70-F122 HydrophobicContact CD2-CG 3.81Å; F70-F122 HydrophobicContact CE2-CB 4.12Å
71	Q	83.3	Confident	79.3	Confident	106 Å²	106	65.2 Å²	65.2	50%	0.495	35%	0.354	S	S	.	.	H	α-helix	trans	-65.3	-23.8	175.9	-73.7	178.4	-16.3	0	0	114.2	R67 A68 A69	R67-Q71 WeakPolarHBondContact O-CG 3.37Å; R67-Q71 PolarHBondContact O-N 2.97Å; A68-Q71 PolarHBondContact O-N 2.88Å; A69-Q71 VanDerWaalsContact C-N 3.31Å; A69-Q71 PolarHBondContact O-N 2.74Å
72	M	81.1	Confident	80.3	Confident	136 Å²	136	60.1 Å²	60.1	67%	0.67	33%	0.334	S	S	*	.	H	α-helix	trans	-73.6	-34	171	-69.7	-175.1	-176.8	0	0	111.6	A68 A69 F70 V89	A68-M72 WeakPolarHBondContact O-CG 3.48Å; A68-M72 PolarHBondContact O-N 3.37Å; A68-M72 VanDerWaalsContact O-N 3.15Å; A69-M72 WeakPolarHBondContact O-CA 3.26Å; A69-M72 WeakPolarHBondContact O-CB 3.29Å; A69-M72 PolarHBondContact O-N 3.18Å; F70-M72 PolarHBondContact O-N 3Å; M72-V89 WeakPolarHBondContact O-CG2 3.28Å
73	F	82.6	Confident	81.3	Confident	28 Å²	28	61 Å²	61	12%	0.123	34%	0.339	C	S	.	.	H	α-helix	trans	-74.7	-50.5	176.5	-72	-80.8	0	0	0	112.1	A69 F70 S75 I81 E85 F86 V89 F122	A69-F73 WeakPolarHBondContact O-CD2 3.47Å; A69-F73 PolarHBondContact O-N 3.18Å; A69-F73 VanDerWaalsContact O-N 3.16Å; F70-F73 WeakPolarHBondContact O-CA 3.34Å; F70-F73 WeakPolarHBondContact O-CB 3.09Å; F70-F73 PolarHBondContact O-N 3.42Å; F73-S75 PolarHBondContact O-N 3.24Å; F73-S75 PolarHBondContact O-OG 3.38Å; F73-I81 HydrophobicContact CB-CB 4.45Å; F73-I81 HydrophobicContact CB-CD1 3.39Å; F73-I81 HydrophobicContact CB-CG1 3.64Å; F73-I81 HydrophobicContact CB-CG2 3.92Å; F73-I81 HydrophobicContact CD2-CD1 4.35Å; F73-I81 HydrophobicContact CG-CD1 4Å; F73-E85 WeakPolarHBondContact O-CB 3.14Å; F73-F86 AromaticContact CD1-CD2 3.99Å; F73-F86 HydrophobicContact CD1-CD2 3.99Å; F73-F86 HydrophobicContact CD1-CE2 4.45Å; F73-F86 HydrophobicContact CD1-CG 4.46Å; F73-F86 AromaticContact CE1-CD2 3.95Å; F73-F86 HydrophobicContact CE1-CD2 3.95Å; F73-F86 HydrophobicContact CE1-CE2 4.03Å; F73-F86 HydrophobicContact CE1-CG 4.4Å; F73-V89 HydrophobicContact CB-CG2 4.43Å; F73-V89 HydrophobicContact CD1-CB 3.46Å; F73-V89 VanDerWaalsContact CD1-CB 3.46Å; F73-V89 HydrophobicContact CD1-CG1 3.6Å; F73-V89 HydrophobicContact CD1-CG2 3.78Å; F73-V89 HydrophobicContact CE1-CB 3.55Å; F73-V89 HydrophobicContact CE1-CG1 3.33Å; F73-V89 HydrophobicContact CE1-CG2 4.35Å; F73-V89 HydrophobicContact CE2-CG1 4.32Å; F73-V89 HydrophobicContact CG-CB 4.3Å; F73-V89 HydrophobicContact CG-CG1 4.22Å; F73-V89 HydrophobicContact CG-CG2 4.24Å; F73-V89 HydrophobicContact CZ-CB 4.42Å; F73-V89 HydrophobicContact CZ-CG1 3.71Å; F73-F122 HydrophobicContact CD2-CE2 4.11Å; F73-F122 HydrophobicContact CD2-CZ 4.04Å; F73-F122 HydrophobicContact CE2-CE2 4.19Å; F73-F122 HydrophobicContact CE2-CZ 4.01Å
74	D	85.5	Confident	82	Confident	7 Å²	7	65.5 Å²	65.5	4%	0.037	36%	0.358	C	S	.	.			trans	-70.5	85.3	-179.1	-176.8	1.3	0	0	0	110.8	F70 N76 N77 D78 G79 I81	F70-D74 HydrophobicContact CD1-CB 4.18Å; F70-D74 HydrophobicContact CE1-CB 3.9Å; F70-D74 WeakPolarHBondContact O-CB 3.4Å; F70-D74 PolarHBondContact O-N 3.39Å; D74-N76 VanDerWaalsContact C-N 3.33Å; D74-N76 PolarHBondContact OD1-OD1 3.48Å; D74-N77 VanDerWaalsContact CG-CA 3.42Å; D74-N77 PolarHBondContact O-N 2.67Å; D74-N77 WeakPolarHBondContact OD1-CA 3.35Å; D74-N77 PolarHBondContact OD1-N 3.49Å; D74-N77 VanDerWaalsContact OD2-CA 3.3Å; D74-N77 WeakPolarHBondContact OD2-CA 3.47Å; D74-D78 PolarHBondContact OD1-N 2.88Å; D74-D78 PolarHBondContact OD2-N 3.32Å; D74-G79 WeakPolarHBondContact OD2-CA 3.45Å; D74-G79 PolarHBondContact OD2-N 2.94Å; D74-I81 HydrophobicContact CB-CG1 4.46Å
75	S	79.9	Confident	82.7	Confident	77 Å²	77	63.7 Å²	63.7	54%	0.538	34%	0.34	S	S	.	.	S	Bend	trans	-74.6	-29.6	-173.4	-63.2	0	0	0	0	111.4	F73 E85	F73-S75 PolarHBondContact O-N 3.24Å; F73-S75 PolarHBondContact O-OG 3.38Å; S75-E85 PolarHBondContact N-OE1 3.23Å; S75-E85 VanDerWaalsContact N-OE1 3.09Å
76	N	84.6	Confident	83.3	Confident	91 Å²	91	60.2 Å²	60.2	49%	0.487	32%	0.324	S	S	.	.	S	Bend	trans	-91.5	-7.2	178.7	69.1	5.3	0	0	0	113.2	D74 D78 E85	D74-N76 VanDerWaalsContact C-N 3.33Å; D74-N76 PolarHBondContact OD1-OD1 3.48Å; N76-D78 VanDerWaalsContact ND2-CG 3.28Å; N76-D78 PolarHBondContact ND2-OD2 3.29Å; N76-D78 PolarHBondContact O-N 2.86Å; N76-D78 VanDerWaalsContact OD1-CB 3.29Å; N76-D78 WeakPolarHBondContact OD1-CB 3.28Å; N76-D78 PolarHBondContact OD1-N 3.46Å; N76-D78 PolarHBondContact OD1-OD1 3.06Å; N76-D78 PolarHBondContact OD1-OD2 3.47Å; N76-E85 PolarHBondContact N-OE1 3.23Å; N76-E85 PolarHBondContact OD1-OE1 2.77Å
77	N	83.8	Confident	83.6	Confident	116 Å²	116	60.5 Å²	60.5	62%	0.62	33%	0.328	S	S	*	.			trans	55.7	34.8	-175.1	-63.8	-90.6	0	0	0	112.8	D74 G79	D74-N77 VanDerWaalsContact CG-CA 3.42Å; D74-N77 PolarHBondContact O-N 2.67Å; D74-N77 WeakPolarHBondContact OD1-CA 3.35Å; D74-N77 PolarHBondContact OD1-N 3.49Å; D74-N77 VanDerWaalsContact OD2-CA 3.3Å; D74-N77 WeakPolarHBondContact OD2-CA 3.47Å; N77-G79 VanDerWaalsContact C-N 3.26Å
78	D	86.1	Confident	83.9	Confident	93 Å²	93	56.2 Å²	56.2	50%	0.497	32%	0.32	S	S	.	.	S	Bend	trans	-81.7	-7.1	178.2	76.4	12.5	0	0	0	113.2	D74 N76 S80	D74-D78 PolarHBondContact OD1-N 2.88Å; D74-D78 PolarHBondContact OD2-N 3.32Å; N76-D78 VanDerWaalsContact ND2-CG 3.28Å; N76-D78 PolarHBondContact ND2-OD2 3.29Å; N76-D78 PolarHBondContact O-N 2.86Å; N76-D78 VanDerWaalsContact OD1-CB 3.29Å; N76-D78 WeakPolarHBondContact OD1-CB 3.28Å; N76-D78 PolarHBondContact OD1-N 3.46Å; N76-D78 PolarHBondContact OD1-OD1 3.06Å; N76-D78 PolarHBondContact OD1-OD2 3.47Å; D78-S80 WeakPolarHBondContact OD1-CA 3.37Å; D78-S80 WeakPolarHBondContact OD1-CB 3.32Å; D78-S80 PolarHBondContact OD1-N 3.04Å; D78-S80 PolarHBondContact OD1-OG 3.41Å; D78-S80 PolarHBondContact OD2-OG 3.48Å
79	G	84.3	Confident	84	Confident	39 Å²	39	54.9 Å²	54.9	40%	0.402	31%	0.308	S	S	.	.	S	Bend	trans	88.8	7.8	-179.5	0	0	0	0	0	113.9	F70 D74 N77	F70-G79 VanDerWaalsContact CZ-O 3.3Å; F70-G79 WeakPolarHBondContact CZ-O 3.42Å; D74-G79 WeakPolarHBondContact OD2-CA 3.45Å; D74-G79 PolarHBondContact OD2-N 2.94Å; N77-G79 VanDerWaalsContact C-N 3.26Å
80	S	87.2	Confident	83.7	Confident	22 Å²	22	54.5 Å²	54.5	15%	0.154	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	152	178.2	73.9	0	0	0	0	110.9	D78 I117	D78-S80 WeakPolarHBondContact OD1-CA 3.37Å; D78-S80 WeakPolarHBondContact OD1-CB 3.32Å; D78-S80 PolarHBondContact OD1-N 3.04Å; D78-S80 PolarHBondContact OD1-OG 3.41Å; D78-S80 PolarHBondContact OD2-OG 3.48Å; S80-I117 CarbonylContact C-O 3.57Å; S80-I117 WeakPolarHBondContact CA-O 3.3Å
81	I	85.7	Confident	83.4	Confident	0 Å²	0	60 Å²	60	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	112.2	175.7	-58.8	163.6	0	0	0	108.9	F70 F73 D74 E85 F86 T116 I117 F122	F70-I81 HydrophobicContact CD2-CD1 3.43Å; F70-I81 VanDerWaalsContact CD2-CD1 3.43Å; F70-I81 HydrophobicContact CD2-CG1 4.04Å; F70-I81 HydrophobicContact CE2-CD1 3.46Å; F70-I81 VanDerWaalsContact CE2-CD1 3.46Å; F70-I81 HydrophobicContact CE2-CG1 3.63Å; F70-I81 HydrophobicContact CG-CD1 4.21Å; F70-I81 HydrophobicContact CZ-CD1 4.26Å; F70-I81 HydrophobicContact CZ-CG1 3.96Å; F73-I81 HydrophobicContact CB-CB 4.45Å; F73-I81 HydrophobicContact CB-CD1 3.39Å; F73-I81 HydrophobicContact CB-CG1 3.64Å; F73-I81 HydrophobicContact CB-CG2 3.92Å; F73-I81 HydrophobicContact CD2-CD1 4.35Å; F73-I81 HydrophobicContact CG-CD1 4Å; D74-I81 HydrophobicContact CB-CG1 4.46Å; I81-E85 HydrophobicContact CG2-CB 4.12Å; I81-F86 HydrophobicContact CG2-CB 3.95Å; I81-F86 HydrophobicContact CG2-CD2 4.12Å; I81-T116 WeakPolarHBondContact O-CA 3.45Å; I81-I117 HydrophobicContact CB-CB 4.33Å; I81-I117 PolarHBondContact N-O 3.33Å; I81-I117 PolarHBondContact O-N 3.06Å; I81-F122 HydrophobicContact CD1-CD2 3.83Å; I81-F122 HydrophobicContact CD1-CE2 4.07Å; I81-F122 HydrophobicContact CD1-CG 4.44Å
82	S	86.7	Confident	83	Confident	33 Å²	33	59.6 Å²	59.6	23%	0.231	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	163.5	174.2	69.4	0	0	0	0	112.7	Q84 E85 F86	S82-Q84 PolarHBondContact O-N 3.25Å; S82-Q84 VanDerWaalsContact O-N 3.14Å; S82-E85 VanDerWaalsContact CB-OE2 3.28Å; S82-E85 WeakPolarHBondContact CB-OE2 3.4Å; S82-E85 PolarHBondContact N-OE2 3.01Å; S82-E85 PolarHBondContact O-N 2.82Å; S82-E85 WeakPolarHBondContact OG-CG 3.48Å; S82-E85 PolarHBondContact OG-N 3.29Å; S82-E85 PolarHBondContact OG-OE2 3.09Å; S82-F86 PolarHBondContact O-N 3.46Å
83	N	85.6	Confident	82.5	Confident	57 Å²	57	58.6 Å²	58.6	31%	0.305	33%	0.332	S	S	.	.	H	α-helix	trans	-52.1	-35.1	172	-80.9	-96.9	0	0	0	113.6	L87 I106 G115	N83-L87 WeakPolarHBondContact O-CB 3.48Å; N83-L87 PolarHBondContact O-N 2.95Å; N83-I106 HydrophobicContact CB-CD1 3.88Å; N83-I106 VanDerWaalsContact OD1-CD1 3.26Å; N83-I106 WeakPolarHBondContact OD1-CD1 3.43Å; N83-G115 PolarHBondContact ND2-O 3.32Å
84	Q	85.5	Confident	81.9	Confident	162 Å²	162	60.3 Å²	60.3	76%	0.757	36%	0.358	S	S	*	.	H	α-helix	trans	-76.8	-40.1	-178.1	-66	-176.1	-21.1	0	0	111.5	S82 L87 S88	S82-Q84 PolarHBondContact O-N 3.25Å; S82-Q84 VanDerWaalsContact O-N 3.14Å; Q84-L87 PolarHBondContact O-N 3.03Å; Q84-S88 WeakPolarHBondContact O-CB 3.16Å; Q84-S88 PolarHBondContact O-N 2.76Å
85	E	87.6	Confident	81.3	Confident	15 Å²	15	64.4 Å²	64.4	7%	0.07	38%	0.38	C	S	.	.	H	α-helix	trans	-65.5	-45.9	177.1	-79.1	167.4	138.1	0	0	111.9	F73 S75 N76 I81 S82 L87 S88 V89	F73-E85 WeakPolarHBondContact O-CB 3.14Å; S75-E85 PolarHBondContact N-OE1 3.23Å; S75-E85 VanDerWaalsContact N-OE1 3.09Å; N76-E85 PolarHBondContact N-OE1 3.23Å; N76-E85 PolarHBondContact OD1-OE1 2.77Å; I81-E85 HydrophobicContact CG2-CB 4.12Å; S82-E85 VanDerWaalsContact CB-OE2 3.28Å; S82-E85 WeakPolarHBondContact CB-OE2 3.4Å; S82-E85 PolarHBondContact N-OE2 3.01Å; S82-E85 PolarHBondContact O-N 2.82Å; S82-E85 WeakPolarHBondContact OG-CG 3.48Å; S82-E85 PolarHBondContact OG-N 3.29Å; S82-E85 PolarHBondContact OG-OE2 3.09Å; E85-L87 VanDerWaalsContact C-N 3.32Å; E85-L87 PolarHBondContact O-N 3.03Å; E85-S88 WeakPolarHBondContact O-CB 3.33Å; E85-S88 PolarHBondContact O-N 3.5Å; E85-V89 PolarHBondContact O-N 2.75Å
86	F	83.8	Confident	80.5	Confident	14 Å²	14	66.6 Å²	66.6	6%	0.061	40%	0.395	C	S	.	.	H	α-helix	trans	-57.5	-47.2	174.8	-161.3	-86.3	0	0	0	111.5	F73 I81 S82 S88 V89 M90 V102 M105 I106	F73-F86 AromaticContact CD1-CD2 3.99Å; F73-F86 HydrophobicContact CD1-CD2 3.99Å; F73-F86 HydrophobicContact CD1-CE2 4.45Å; F73-F86 HydrophobicContact CD1-CG 4.46Å; F73-F86 AromaticContact CE1-CD2 3.95Å; F73-F86 HydrophobicContact CE1-CD2 3.95Å; F73-F86 HydrophobicContact CE1-CE2 4.03Å; F73-F86 HydrophobicContact CE1-CG 4.4Å; I81-F86 HydrophobicContact CG2-CB 3.95Å; I81-F86 HydrophobicContact CG2-CD2 4.12Å; S82-F86 PolarHBondContact O-N 3.46Å; F86-S88 PolarHBondContact O-N 3.48Å; F86-V89 PolarHBondContact O-N 2.6Å; F86-M90 HydrophobicContact CD1-CG 3.97Å; F86-M90 HydrophobicContact CD1-SD 3.77Å; F86-M90 HydrophobicContact CE1-CG 3.87Å; F86-M90 HydrophobicContact CE1-SD 3.35Å; F86-M90 WeakPolarHBondContact CE1-SD 3.5Å; F86-M90 HydrophobicContact CZ-SD 4.39Å; F86-M90 WeakPolarHBondContact O-CG 3.01Å; F86-M90 PolarHBondContact O-N 2.88Å; F86-V102 HydrophobicContact CB-CG1 4.01Å; F86-V102 HydrophobicContact CD1-CB 4.27Å; F86-V102 HydrophobicContact CD1-CG1 3.62Å; F86-V102 HydrophobicContact CD1-CG2 3.97Å; F86-V102 HydrophobicContact CE1-CG1 4.49Å; F86-V102 HydrophobicContact CE1-CG2 4.43Å; F86-V102 HydrophobicContact CG-CG1 4.16Å; F86-M105 HydrophobicContact CE1-SD 3.94Å; F86-M105 HydrophobicContact CZ-SD 4.16Å; F86-I106 HydrophobicContact CB-CD1 4.19Å
87	L	83.2	Confident	79.8	Confident	43 Å²	43	62.9 Å²	62.9	23%	0.225	38%	0.377	C	S	.	.	H	α-helix	trans	-62.3	-43	177.8	-175.6	69.1	0	0	0	112.1	N83 Q84 E85 V89 M90 Q91 V102	N83-L87 WeakPolarHBondContact O-CB 3.48Å; N83-L87 PolarHBondContact O-N 2.95Å; Q84-L87 PolarHBondContact O-N 3.03Å; E85-L87 VanDerWaalsContact C-N 3.32Å; E85-L87 PolarHBondContact O-N 3.03Å; L87-V89 VanDerWaalsContact C-N 3.33Å; L87-V89 PolarHBondContact O-N 2.69Å; L87-M90 PolarHBondContact O-N 2.85Å; L87-Q91 VanDerWaalsContact O-CG 3.31Å; L87-Q91 WeakPolarHBondContact O-CG 3.18Å; L87-Q91 PolarHBondContact O-N 3.45Å; L87-V102 HydrophobicContact CB-CG2 4.46Å; L87-V102 HydrophobicContact CD1-CG2 3.85Å
88	S	83.4	Confident	79.4	Confident	56 Å²	56	59.8 Å²	59.8	39%	0.392	37%	0.365	S	S	.	.	H	α-helix	trans	-59.7	-43.5	178.8	-173.3	0	0	0	0	111.7	Q84 E85 F86 Q91 S92	Q84-S88 WeakPolarHBondContact O-CB 3.16Å; Q84-S88 PolarHBondContact O-N 2.76Å; E85-S88 WeakPolarHBondContact O-CB 3.33Å; E85-S88 PolarHBondContact O-N 3.5Å; F86-S88 PolarHBondContact O-N 3.48Å; S88-Q91 PolarHBondContact O-N 2.99Å; S88-S92 WeakPolarHBondContact O-CB 3.49Å; S88-S92 PolarHBondContact O-N 3.33Å; S88-S92 PolarHBondContact O-OG 2.72Å
89	V	81.3	Confident	79.1	Confident	16 Å²	16	62.8 Å²	62.8	10%	0.097	37%	0.373	C	S	.	.	H	α-helix	trans	-70.8	-41.9	177.7	174.1	0	0	0	0	112.2	M72 F73 E85 F86 L87 Q91 S92 L93	M72-V89 WeakPolarHBondContact O-CG2 3.28Å; F73-V89 HydrophobicContact CB-CG2 4.43Å; F73-V89 HydrophobicContact CD1-CB 3.46Å; F73-V89 VanDerWaalsContact CD1-CB 3.46Å; F73-V89 HydrophobicContact CD1-CG1 3.6Å; F73-V89 HydrophobicContact CD1-CG2 3.78Å; F73-V89 HydrophobicContact CE1-CB 3.55Å; F73-V89 HydrophobicContact CE1-CG1 3.33Å; F73-V89 HydrophobicContact CE1-CG2 4.35Å; F73-V89 HydrophobicContact CE2-CG1 4.32Å; F73-V89 HydrophobicContact CG-CB 4.3Å; F73-V89 HydrophobicContact CG-CG1 4.22Å; F73-V89 HydrophobicContact CG-CG2 4.24Å; F73-V89 HydrophobicContact CZ-CB 4.42Å; F73-V89 HydrophobicContact CZ-CG1 3.71Å; E85-V89 PolarHBondContact O-N 2.75Å; F86-V89 PolarHBondContact O-N 2.6Å; L87-V89 VanDerWaalsContact C-N 3.33Å; L87-V89 PolarHBondContact O-N 2.69Å; V89-Q91 VanDerWaalsContact C-N 3.26Å; V89-Q91 PolarHBondContact O-N 3.2Å; V89-S92 CarbonylContact O-C 3.58Å; V89-S92 WeakPolarHBondContact O-CA 3.5Å; V89-S92 WeakPolarHBondContact O-CB 3.43Å; V89-S92 PolarHBondContact O-N 3.09Å; V89-L93 HydrophobicContact CG1-CD1 3.94Å; V89-L93 HydrophobicContact CG1-CG 4.21Å; V89-L93 WeakPolarHBondContact O-CG 3.34Å; V89-L93 PolarHBondContact O-N 3.28Å
90	M	74	Confident	79	Confident	23 Å²	23	66.8 Å²	66.8	11%	0.113	38%	0.381	C	S	.	.	H	α-helix	trans	-57.4	-43.8	175.4	-71	-161.4	86.3	0	0	111.3	F86 L87 S92 L93 G94 L95 A97 V102	F86-M90 HydrophobicContact CD1-CG 3.97Å; F86-M90 HydrophobicContact CD1-SD 3.77Å; F86-M90 HydrophobicContact CE1-CG 3.87Å; F86-M90 HydrophobicContact CE1-SD 3.35Å; F86-M90 WeakPolarHBondContact CE1-SD 3.5Å; F86-M90 HydrophobicContact CZ-SD 4.39Å; F86-M90 WeakPolarHBondContact O-CG 3.01Å; F86-M90 PolarHBondContact O-N 2.88Å; L87-M90 PolarHBondContact O-N 2.85Å; M90-S92 VanDerWaalsContact C-N 3.34Å; M90-S92 PolarHBondContact O-N 3.23Å; M90-L93 PolarHBondContact O-N 2.63Å; M90-G94 PolarHBondContact O-N 2.76Å; M90-L95 CarbonylContact C-O 3.17Å; M90-L95 HydrophobicContact CB-CB 4.31Å; M90-L95 HydrophobicContact CE-CB 3.98Å; M90-L95 HydrophobicContact CE-CD1 4.06Å; M90-L95 CarbonylContact O-C 3.57Å; M90-L95 WeakPolarHBondContact O-CA 3.43Å; M90-L95 WeakPolarHBondContact O-CB 3.42Å; M90-L95 PolarHBondContact O-N 2.9Å; M90-A97 HydrophobicContact CE-CB 3.53Å; M90-A97 HydrophobicContact SD-CB 3.29Å; M90-A97 WeakPolarHBondContact SD-CB 3.46Å; M90-V102 HydrophobicContact SD-CG2 3.89Å
91	Q	77.4	Confident	78.6	Confident	126 Å²	126	69.5 Å²	69.5	59%	0.589	39%	0.392	S	S	*	.	H	α-helix	trans	-62.2	-41	174.2	-70.9	177.6	7.3	0	0	112.2	L87 S88 V89 L93 G94	L87-Q91 VanDerWaalsContact O-CG 3.31Å; L87-Q91 WeakPolarHBondContact O-CG 3.18Å; L87-Q91 PolarHBondContact O-N 3.45Å; S88-Q91 PolarHBondContact O-N 2.99Å; V89-Q91 VanDerWaalsContact C-N 3.26Å; V89-Q91 PolarHBondContact O-N 3.2Å; Q91-L93 VanDerWaalsContact C-N 3.29Å; Q91-L93 PolarHBondContact O-N 2.91Å; Q91-G94 PolarHBondContact O-N 3.36Å
92	S	74	Confident	78.3	Confident	98 Å²	98	69.6 Å²	69.6	69%	0.685	39%	0.392	S	S	*	.	H	α-helix	trans	-65.1	-31.3	177.4	-60.8	0	0	0	0	113	S88 V89 M90 G94	S88-S92 WeakPolarHBondContact O-CB 3.49Å; S88-S92 PolarHBondContact O-N 3.33Å; S88-S92 PolarHBondContact O-OG 2.72Å; V89-S92 CarbonylContact O-C 3.58Å; V89-S92 WeakPolarHBondContact O-CA 3.5Å; V89-S92 WeakPolarHBondContact O-CB 3.43Å; V89-S92 PolarHBondContact O-N 3.09Å; M90-S92 VanDerWaalsContact C-N 3.34Å; M90-S92 PolarHBondContact O-N 3.23Å; S92-G94 VanDerWaalsContact C-N 3.26Å; S92-G94 PolarHBondContact O-N 2.87Å
93	L	69.9	Low	78.1	Confident	114 Å²	114	70 Å²	70	60%	0.597	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-2.5	174.1	-66.2	174.6	0	0	0	113.4	V89 M90 Q91 L95	V89-L93 HydrophobicContact CG1-CD1 3.94Å; V89-L93 HydrophobicContact CG1-CG 4.21Å; V89-L93 WeakPolarHBondContact O-CG 3.34Å; V89-L93 PolarHBondContact O-N 3.28Å; M90-L93 PolarHBondContact O-N 2.63Å; Q91-L93 VanDerWaalsContact C-N 3.29Å; Q91-L93 PolarHBondContact O-N 2.91Å; L93-L95 VanDerWaalsContact C-N 3.26Å; L93-L95 HydrophobicContact CB-CD1 4.36Å; L93-L95 HydrophobicContact CB-CG 4.25Å; L93-L95 PolarHBondContact O-N 3.45Å
94	G	71.6	Confident	77.9	Confident	65 Å²	65	74.9 Å²	74.9	67%	0.67	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.9	10.5	-175	0	0	0	0	0	113.9	M90 Q91 S92	M90-G94 PolarHBondContact O-N 2.76Å; Q91-G94 PolarHBondContact O-N 3.36Å; S92-G94 VanDerWaalsContact C-N 3.26Å; S92-G94 PolarHBondContact O-N 2.87Å
95	L	71.3	Confident	77.5	Confident	93 Å²	93	68.8 Å²	68.8	49%	0.487	38%	0.381	S	S	.	.			trans	-86.9	114.4	174.2	-59.2	175.8	0	0	0	108.8	M90 L93 A97	M90-L95 CarbonylContact C-O 3.17Å; M90-L95 HydrophobicContact CB-CB 4.31Å; M90-L95 HydrophobicContact CE-CB 3.98Å; M90-L95 HydrophobicContact CE-CD1 4.06Å; M90-L95 CarbonylContact O-C 3.57Å; M90-L95 WeakPolarHBondContact O-CA 3.43Å; M90-L95 WeakPolarHBondContact O-CB 3.42Å; M90-L95 PolarHBondContact O-N 2.9Å; L93-L95 VanDerWaalsContact C-N 3.26Å; L93-L95 HydrophobicContact CB-CD1 4.36Å; L93-L95 HydrophobicContact CB-CG 4.25Å; L93-L95 PolarHBondContact O-N 3.45Å; L95-A97 PolarHBondContact O-N 2.83Å; L95-A97 VanDerWaalsContact O-N 3.17Å
96	S	64.3	Low	77.2	Confident	123 Å²	123	68.2 Å²	68.2	86%	0.86	38%	0.379	S	S	*	.			trans	-88	73.9	176	45.1	0	0	0	0	110.6
97	A	68.4	Low	77.2	Confident	13 Å²	13	73.3 Å²	73.3	11%	0.107	41%	0.405	C	S	.	.			trans	-77.2	138.8	168.7	0	0	0	0	0	110.6	M90 L95 E101 V102	M90-A97 HydrophobicContact CE-CB 3.53Å; M90-A97 HydrophobicContact SD-CB 3.29Å; M90-A97 WeakPolarHBondContact SD-CB 3.46Å; L95-A97 PolarHBondContact O-N 2.83Å; L95-A97 VanDerWaalsContact O-N 3.17Å; A97-E101 HydrophobicContact CB-CB 4.48Å; A97-V102 HydrophobicContact CB-CG2 3.8Å
98	S	76.3	Confident	77	Confident	51 Å²	51	75.7 Å²	75.7	36%	0.357	42%	0.415	S	S	.	.			trans	-74.2	157.3	172.1	91.2	0	0	0	0	110.1	E100 E101 V102	S98-E100 WeakPolarHBondContact CB-OE2 3.37Å; S98-E100 PolarHBondContact O-N 3.3Å; S98-E100 PolarHBondContact OG-N 3Å; S98-E100 PolarHBondContact OG-OE2 3.46Å; S98-E101 WeakPolarHBondContact O-CB 3.5Å; S98-E101 PolarHBondContact O-N 3.21Å; S98-E101 PolarHBondContact OG-N 2.73Å; S98-V102 PolarHBondContact O-N 2.78Å
99	K	79.9	Confident	76.9	Confident	156 Å²	156	73.1 Å²	73.1	68%	0.678	40%	0.398	S	S	*	.	H	α-helix	trans	-56.8	-34.3	176.9	-173.3	179.3	177.8	-177.1	0	111.4	S103	K99-S103 WeakPolarHBondContact O-CB 3.38Å; K99-S103 PolarHBondContact O-N 2.66Å
100	E	81.6	Confident	77.1	Confident	122 Å²	122	73.5 Å²	73.5	57%	0.57	40%	0.399	S	S	*	.	H	α-helix	trans	-70.5	-31.4	177.1	-55.4	71.4	-152.9	0	0	112.3	S98 R104	S98-E100 WeakPolarHBondContact CB-OE2 3.37Å; S98-E100 PolarHBondContact O-N 3.3Å; S98-E100 PolarHBondContact OG-N 3Å; S98-E100 PolarHBondContact OG-OE2 3.46Å; E100-R104 WeakPolarHBondContact O-CB 3.44Å; E100-R104 VanDerWaalsContact O-CG 3.23Å; E100-R104 WeakPolarHBondContact O-CG 3.2Å; E100-R104 PolarHBondContact O-N 2.69Å; E100-R104 VanDerWaalsContact O-N 3.12Å; E100-R104 PolarHBondContact O-NE 3.46Å
101	E	79.2	Confident	77.4	Confident	80 Å²	80	77.2 Å²	77.2	37%	0.374	42%	0.419	S	S	.	.	H	α-helix	trans	-73.9	-46.2	175.1	-170.4	165.3	-179.3	0	0	111.4	A97 S98 S103 R104 M105	A97-E101 HydrophobicContact CB-CB 4.48Å; S98-E101 WeakPolarHBondContact O-CB 3.5Å; S98-E101 PolarHBondContact O-N 3.21Å; S98-E101 PolarHBondContact OG-N 2.73Å; E101-S103 VanDerWaalsContact C-N 3.35Å; E101-S103 PolarHBondContact O-N 2.94Å; E101-R104 PolarHBondContact O-N 2.72Å; E101-M105 HydrophobicContact CG-CE 3.96Å; E101-M105 WeakPolarHBondContact O-CG 3.5Å; E101-M105 PolarHBondContact O-N 3.3Å
102	V	80.3	Confident	77.7	Confident	2 Å²	2	76.1 Å²	76.1	1%	0.012	42%	0.417	C	S	.	.	H	α-helix	trans	-58.6	-47.2	173.7	171.8	0	0	0	0	111	F86 L87 M90 A97 S98 R104 M105 I106	F86-V102 HydrophobicContact CB-CG1 4.01Å; F86-V102 HydrophobicContact CD1-CB 4.27Å; F86-V102 HydrophobicContact CD1-CG1 3.62Å; F86-V102 HydrophobicContact CD1-CG2 3.97Å; F86-V102 HydrophobicContact CE1-CG1 4.49Å; F86-V102 HydrophobicContact CE1-CG2 4.43Å; F86-V102 HydrophobicContact CG-CG1 4.16Å; L87-V102 HydrophobicContact CB-CG2 4.46Å; L87-V102 HydrophobicContact CD1-CG2 3.85Å; M90-V102 HydrophobicContact SD-CG2 3.89Å; A97-V102 HydrophobicContact CB-CG2 3.8Å; S98-V102 PolarHBondContact O-N 2.78Å; V102-R104 VanDerWaalsContact C-N 3.3Å; V102-R104 PolarHBondContact O-N 2.83Å; V102-M105 PolarHBondContact O-N 2.73Å; V102-M105 VanDerWaalsContact O-N 3.13Å; V102-I106 HydrophobicContact CG1-CD1 3.72Å; V102-I106 HydrophobicContact CG1-CG1 4.49Å; V102-I106 WeakPolarHBondContact O-CG1 3.25Å; V102-I106 PolarHBondContact O-N 3.27Å
103	S	82.4	Confident	78.1	Confident	42 Å²	42	74.3 Å²	74.3	29%	0.294	41%	0.413	S	S	.	.	H	α-helix	trans	-61.4	-39.1	178.3	179.9	0	0	0	0	111.9	K99 E101 I106 I107	K99-S103 WeakPolarHBondContact O-CB 3.38Å; K99-S103 PolarHBondContact O-N 2.66Å; E101-S103 VanDerWaalsContact C-N 3.35Å; E101-S103 PolarHBondContact O-N 2.94Å; S103-I106 PolarHBondContact O-N 2.84Å; S103-I107 WeakPolarHBondContact O-CB 3.39Å; S103-I107 WeakPolarHBondContact O-CD1 3.44Å; S103-I107 WeakPolarHBondContact O-CG1 3.41Å; S103-I107 PolarHBondContact O-N 2.99Å
104	R	80.6	Confident	78.7	Confident	159 Å²	159	73.4 Å²	73.4	60%	0.6	41%	0.409	S	S	*	.	H	α-helix	trans	-65.5	-39.4	174.2	-79.3	-176.3	-65.3	158.2	1.7	112.8	E100 E101 V102 Q108	E100-R104 WeakPolarHBondContact O-CB 3.44Å; E100-R104 VanDerWaalsContact O-CG 3.23Å; E100-R104 WeakPolarHBondContact O-CG 3.2Å; E100-R104 PolarHBondContact O-N 2.69Å; E100-R104 VanDerWaalsContact O-N 3.12Å; E100-R104 PolarHBondContact O-NE 3.46Å; E101-R104 PolarHBondContact O-N 2.72Å; V102-R104 VanDerWaalsContact C-N 3.3Å; V102-R104 PolarHBondContact O-N 2.83Å; R104-Q108 WeakPolarHBondContact O-CB 3.4Å; R104-Q108 PolarHBondContact O-N 2.71Å; R104-Q108 VanDerWaalsContact O-N 3.14Å
105	M	77.5	Confident	79.2	Confident	33 Å²	33	71.7 Å²	71.7	16%	0.163	39%	0.392	C	S	.	.	H	α-helix	trans	-64.8	-43.3	176.5	-71.4	177.5	176.6	0	0	111	F86 E101 V102 Q108 A109 F125	F86-M105 HydrophobicContact CE1-SD 3.94Å; F86-M105 HydrophobicContact CZ-SD 4.16Å; E101-M105 HydrophobicContact CG-CE 3.96Å; E101-M105 WeakPolarHBondContact O-CG 3.5Å; E101-M105 PolarHBondContact O-N 3.3Å; V102-M105 PolarHBondContact O-N 2.73Å; V102-M105 VanDerWaalsContact O-N 3.13Å; M105-Q108 PolarHBondContact O-N 3.44Å; M105-A109 WeakPolarHBondContact O-CB 3.2Å; M105-A109 PolarHBondContact O-N 2.9Å; M105-F125 HydrophobicContact CB-CZ 4.25Å
106	I	82.1	Confident	79.9	Confident	4 Å²	4	68.6 Å²	68.6	2%	0.021	38%	0.377	C	S	.	.	H	α-helix	trans	-64	-49.9	177.1	-70.7	166.4	0	0	0	110.6	N83 F86 V102 S103 Q108 A109 D110 I117	N83-I106 HydrophobicContact CB-CD1 3.88Å; N83-I106 VanDerWaalsContact OD1-CD1 3.26Å; N83-I106 WeakPolarHBondContact OD1-CD1 3.43Å; F86-I106 HydrophobicContact CB-CD1 4.19Å; V102-I106 HydrophobicContact CG1-CD1 3.72Å; V102-I106 HydrophobicContact CG1-CG1 4.49Å; V102-I106 WeakPolarHBondContact O-CG1 3.25Å; V102-I106 PolarHBondContact O-N 3.27Å; S103-I106 PolarHBondContact O-N 2.84Å; I106-Q108 PolarHBondContact O-N 2.69Å; I106-A109 CarbonylContact O-C 3.58Å; I106-A109 WeakPolarHBondContact O-CA 3.37Å; I106-A109 PolarHBondContact O-N 2.79Å; I106-D110 HydrophobicContact CG2-CB 4.33Å; I106-D110 WeakPolarHBondContact O-CB 3.35Å; I106-D110 PolarHBondContact O-N 3.37Å; I106-I117 HydrophobicContact CB-CD1 4.43Å; I106-I117 HydrophobicContact CG1-CD1 3.78Å; I106-I117 HydrophobicContact CG1-CG1 4.22Å; I106-I117 HydrophobicContact CG2-CG1 4.25Å
107	I	82.9	Confident	80.9	Confident	120 Å²	120	62.8 Å²	62.8	62%	0.615	34%	0.336	S	S	*	.	H	α-helix	trans	-56.4	-27.3	176.3	-68.9	163.4	0	0	0	112.3	S103	S103-I107 WeakPolarHBondContact O-CB 3.39Å; S103-I107 WeakPolarHBondContact O-CD1 3.44Å; S103-I107 WeakPolarHBondContact O-CG1 3.41Å; S103-I107 PolarHBondContact O-N 2.99Å
108	Q	79.8	Confident	81.8	Confident	93 Å²	93	64.8 Å²	64.8	44%	0.435	35%	0.345	S	S	.	.	H	α-helix	trans	-84.3	-25.3	177.4	-173.2	177	-1.7	0	0	113.2	R104 M105 I106 F125	R104-Q108 WeakPolarHBondContact O-CB 3.4Å; R104-Q108 PolarHBondContact O-N 2.71Å; R104-Q108 VanDerWaalsContact O-N 3.14Å; M105-Q108 PolarHBondContact O-N 3.44Å; I106-Q108 PolarHBondContact O-N 2.69Å; Q108-F125 HydrophobicContact CB-CE2 3.99Å; Q108-F125 HydrophobicContact CG-CD2 4.45Å; Q108-F125 HydrophobicContact CG-CE2 3.96Å
109	A	80.6	Confident	82.1	Confident	3 Å²	3	65.2 Å²	65.2	3%	0.025	34%	0.341	C	S	.	.	H	α-helix	trans	-87.8	-41.8	178.5	0	0	0	0	0	112.4	M105 I106 L111 I117 F125	M105-A109 WeakPolarHBondContact O-CB 3.2Å; M105-A109 PolarHBondContact O-N 2.9Å; I106-A109 CarbonylContact O-C 3.58Å; I106-A109 WeakPolarHBondContact O-CA 3.37Å; I106-A109 PolarHBondContact O-N 2.79Å; A109-L111 PolarHBondContact O-N 2.89Å; A109-I117 HydrophobicContact CB-CD1 3.48Å; A109-I117 VanDerWaalsContact CB-CD1 3.48Å; A109-I117 HydrophobicContact CB-CG1 3.77Å; A109-I117 HydrophobicContact CB-CG2 4.13Å; A109-F125 VanDerWaalsContact CA-CD2 3.47Å; A109-F125 HydrophobicContact CB-CB 3.73Å; A109-F125 HydrophobicContact CB-CD1 4.23Å; A109-F125 HydrophobicContact CB-CD2 3.4Å; A109-F125 VanDerWaalsContact CB-CD2 3.4Å; A109-F125 HydrophobicContact CB-CE2 4Å; A109-F125 HydrophobicContact CB-CG 3.52Å
110	D	85	Confident	82.3	Confident	24 Å²	24	61.4 Å²	61.4	13%	0.128	33%	0.333	C	S	.	.			trans	-65.7	103.9	178.6	-179.2	4.1	0	0	0	109.8	I106 D112 G113 D114 G115	I106-D110 HydrophobicContact CG2-CB 4.33Å; I106-D110 WeakPolarHBondContact O-CB 3.35Å; I106-D110 PolarHBondContact O-N 3.37Å; D110-D112 PolarHBondContact OD1-N 2.93Å; D110-D112 VanDerWaalsContact OD1-OD1 3.06Å; D110-G113 WeakPolarHBondContact OD1-CA 3.49Å; D110-G113 PolarHBondContact OD1-N 2.84Å; D110-G113 WeakPolarHBondContact OD2-CA 3.23Å; D110-D114 PolarHBondContact OD1-N 3.3Å; D110-D114 PolarHBondContact OD2-N 3.32Å; D110-G115 WeakPolarHBondContact OD2-CA 3.35Å; D110-G115 PolarHBondContact OD2-N 3.16Å
111	L	80.2	Confident	82.4	Confident	100 Å²	100	56 Å²	56	52%	0.524	31%	0.308	S	S	.	.	S	Bend	trans	-91.9	-28.4	-178.4	-64.8	178	0	0	0	111.5	A109 E121	A109-L111 PolarHBondContact O-N 2.89Å; L111-E121 WeakPolarHBondContact CA-OE1 3.33Å; L111-E121 HydrophobicContact CB-CG 4.39Å; L111-E121 WeakPolarHBondContact CB-OE1 3.45Å; L111-E121 HydrophobicContact CD1-CG 4.4Å; L111-E121 HydrophobicContact CG-CG 4.36Å; L111-E121 PolarHBondContact N-OE1 3.13Å
112	D	83.2	Confident	82.5	Confident	104 Å²	104	52.4 Å²	52.4	56%	0.556	29%	0.291	S	S	*	.	S	Bend	trans	-92.2	-14.7	-178.8	74.9	4.7	0	0	0	113.7	D110 D114 E121	D110-D112 PolarHBondContact OD1-N 2.93Å; D110-D112 VanDerWaalsContact OD1-OD1 3.06Å; D112-D114 VanDerWaalsContact OD1-CB 3.28Å; D112-D114 WeakPolarHBondContact OD1-CB 3.5Å; D112-D114 VanDerWaalsContact OD1-CG 3.3Å; D112-D114 PolarHBondContact OD1-N 3.15Å; D112-E121 PolarHBondContact N-OE1 3.08Å
113	G	82.6	Confident	82.3	Confident	59 Å²	59	53.2 Å²	53.2	61%	0.608	30%	0.296	S	S	*	.			trans	79.8	20.9	177	0	0	0	0	0	113.7	D110 G115	D110-G113 WeakPolarHBondContact OD1-CA 3.49Å; D110-G113 PolarHBondContact OD1-N 2.84Å; D110-G113 WeakPolarHBondContact OD2-CA 3.23Å; G113-G115 VanDerWaalsContact C-N 3.27Å; G113-G115 PolarHBondContact O-N 3.03Å
114	D	83.7	Confident	81.9	Confident	95 Å²	95	59 Å²	59	51%	0.508	31%	0.311	S	S	.	.	S	Bend	trans	-78.7	-10.5	-177.4	85.5	-5.1	0	0	0	113.8	D110 D112 T116	D110-D114 PolarHBondContact OD1-N 3.3Å; D110-D114 PolarHBondContact OD2-N 3.32Å; D112-D114 VanDerWaalsContact OD1-CB 3.28Å; D112-D114 WeakPolarHBondContact OD1-CB 3.5Å; D112-D114 VanDerWaalsContact OD1-CG 3.3Å; D112-D114 PolarHBondContact OD1-N 3.15Å; D114-T116 VanDerWaalsContact CG-OG1 3.24Å; D114-T116 WeakPolarHBondContact OD1-CA 3.37Å; D114-T116 WeakPolarHBondContact OD1-CB 3.26Å; D114-T116 PolarHBondContact OD1-N 2.74Å; D114-T116 PolarHBondContact OD1-OG1 3.49Å; D114-T116 PolarHBondContact OD2-OG1 3.4Å
115	G	81.4	Confident	81.7	Confident	30 Å²	30	52.3 Å²	52.3	31%	0.309	29%	0.287	S	S	.	.	S	Bend	trans	85.7	6.7	179.5	0	0	0	0	0	114.8	N83 D110 G113	N83-G115 PolarHBondContact ND2-O 3.32Å; D110-G115 WeakPolarHBondContact OD2-CA 3.35Å; D110-G115 PolarHBondContact OD2-N 3.16Å; G113-G115 VanDerWaalsContact C-N 3.27Å; G113-G115 PolarHBondContact O-N 3.03Å
116	T	85.5	Confident	81.3	Confident	28 Å²	28	52.2 Å²	52.2	17%	0.172	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	175.5	172.8	72	0	0	0	0	110.3	I81 D114	I81-T116 WeakPolarHBondContact O-CA 3.45Å; D114-T116 VanDerWaalsContact CG-OG1 3.24Å; D114-T116 WeakPolarHBondContact OD1-CA 3.37Å; D114-T116 WeakPolarHBondContact OD1-CB 3.26Å; D114-T116 PolarHBondContact OD1-N 2.74Å; D114-T116 PolarHBondContact OD1-OG1 3.49Å; D114-T116 PolarHBondContact OD2-OG1 3.4Å
117	I	85.2	Confident	80.6	Confident	1 Å²	1	54.9 Å²	54.9	1%	0.005	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	113.7	173.9	-55	173.5	0	0	0	107.6	S80 I81 I106 A109 E121 F122	S80-I117 CarbonylContact C-O 3.57Å; S80-I117 WeakPolarHBondContact CA-O 3.3Å; I81-I117 HydrophobicContact CB-CB 4.33Å; I81-I117 PolarHBondContact N-O 3.33Å; I81-I117 PolarHBondContact O-N 3.06Å; I106-I117 HydrophobicContact CB-CD1 4.43Å; I106-I117 HydrophobicContact CG1-CD1 3.78Å; I106-I117 HydrophobicContact CG1-CG1 4.22Å; I106-I117 HydrophobicContact CG2-CG1 4.25Å; A109-I117 HydrophobicContact CB-CD1 3.48Å; A109-I117 VanDerWaalsContact CB-CD1 3.48Å; A109-I117 HydrophobicContact CB-CG1 3.77Å; A109-I117 HydrophobicContact CB-CG2 4.13Å; I117-E121 WeakPolarHBondContact CA-OE2 3.4Å; I117-E121 HydrophobicContact CG2-CB 3.81Å; I117-F122 HydrophobicContact CG2-CB 3.82Å; I117-F122 HydrophobicContact CG2-CD2 4.43Å
118	D	87.5	Confident	79.6	Confident	54 Å²	54	58.4 Å²	58.4	29%	0.289	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	168.1	172.8	82.3	29.4	0	0	0	111.8	S120 E121 F122	D118-S120 VanDerWaalsContact C-N 3.26Å; D118-S120 PolarHBondContact O-N 2.78Å; D118-S120 VanDerWaalsContact OD1-CA 3.23Å; D118-S120 WeakPolarHBondContact OD1-CA 3.37Å; D118-S120 WeakPolarHBondContact OD1-CB 3.4Å; D118-S120 PolarHBondContact OD1-N 2.96Å; D118-E121 PolarHBondContact N-OE2 2.77Å; D118-E121 PolarHBondContact O-N 3.41Å; D118-E121 WeakPolarHBondContact OD1-CG 3.09Å; D118-E121 PolarHBondContact OD1-N 3.3Å; D118-F122 WeakPolarHBondContact O-CB 3.3Å; D118-F122 PolarHBondContact O-N 3.38Å
119	F	83.6	Confident	78.4	Confident	61 Å²	61	59 Å²	59	27%	0.268	31%	0.31	S	S	.	.	H	α-helix	trans	-58.9	-36.5	179.6	179.5	-109.6	0	0	0	113.3	L63 R67 F70 F122 V123	L63-F119 HydrophobicContact CD2-CE1 4.42Å; L63-F119 HydrophobicContact CD2-CZ 4.13Å; L63-F119 HydrophobicContact CG-CZ 4.38Å; R67-F119 HydrophobicContact CB-CE2 3.89Å; R67-F119 HydrophobicContact CB-CZ 4.06Å; R67-F119 HydrophobicContact CG-CE2 4.28Å; R67-F119 HydrophobicContact CG-CZ 4.5Å; F70-F119 HydrophobicContact CB-CD2 3.92Å; F70-F119 HydrophobicContact CB-CE2 4.3Å; F70-F119 HydrophobicContact CD1-CD2 4.28Å; F70-F119 HydrophobicContact CD2-CB 4.31Å; F70-F119 AromaticContact CD2-CD2 3.98Å; F70-F119 HydrophobicContact CD2-CD2 3.98Å; F70-F119 HydrophobicContact CE1-CB 4.45Å; F70-F119 HydrophobicContact CE2-CB 4.15Å; F70-F119 AromaticContact CG-CD2 3.78Å; F70-F119 HydrophobicContact CG-CD2 3.78Å; F70-F119 HydrophobicContact CZ-CB 4.23Å; F119-F122 PolarHBondContact O-N 3.44Å; F119-V123 HydrophobicContact CD1-CG2 4.44Å; F119-V123 HydrophobicContact CD2-CG2 4.35Å; F119-V123 HydrophobicContact CE1-CG2 3.99Å; F119-V123 HydrophobicContact CE2-CG2 3.87Å; F119-V123 HydrophobicContact CZ-CG2 3.69Å; F119-V123 VanDerWaalsContact O-CG2 3.26Å; F119-V123 WeakPolarHBondContact O-CG2 3.29Å; F119-V123 PolarHBondContact O-N 2.74Å
120	S	82.5	Confident	76.8	Confident	75 Å²	75	63.4 Å²	63.4	52%	0.524	34%	0.34	S	S	.	.	H	α-helix	trans	-69.7	-41	-179.8	-54.1	0	0	0	0	111.6	D118 R124	D118-S120 VanDerWaalsContact C-N 3.26Å; D118-S120 PolarHBondContact O-N 2.78Å; D118-S120 VanDerWaalsContact OD1-CA 3.23Å; D118-S120 WeakPolarHBondContact OD1-CA 3.37Å; D118-S120 WeakPolarHBondContact OD1-CB 3.4Å; D118-S120 PolarHBondContact OD1-N 2.96Å; S120-R124 WeakPolarHBondContact O-CB 3.19Å; S120-R124 WeakPolarHBondContact O-CG 3.26Å; S120-R124 PolarHBondContact O-N 3.36Å
121	E	84.5	Confident	74.7	Confident	8 Å²	8	66.5 Å²	66.5	4%	0.037	36%	0.36	C	S	.	.	H	α-helix	trans	-66.3	-41.2	173.7	-69.7	180	139.6	0	0	111.1	L111 D112 I117 D118 R124 F125	L111-E121 WeakPolarHBondContact CA-OE1 3.33Å; L111-E121 HydrophobicContact CB-CG 4.39Å; L111-E121 WeakPolarHBondContact CB-OE1 3.45Å; L111-E121 HydrophobicContact CD1-CG 4.4Å; L111-E121 HydrophobicContact CG-CG 4.36Å; L111-E121 PolarHBondContact N-OE1 3.13Å; D112-E121 PolarHBondContact N-OE1 3.08Å; I117-E121 WeakPolarHBondContact CA-OE2 3.4Å; I117-E121 HydrophobicContact CG2-CB 3.81Å; D118-E121 PolarHBondContact N-OE2 2.77Å; D118-E121 PolarHBondContact O-N 3.41Å; D118-E121 WeakPolarHBondContact OD1-CG 3.09Å; D118-E121 PolarHBondContact OD1-N 3.3Å; E121-R124 CarbonylContact O-C 3.59Å; E121-R124 PolarHBondContact O-N 3.25Å; E121-F125 WeakPolarHBondContact O-CB 3.04Å; E121-F125 PolarHBondContact O-N 2.87Å
122	F	80.6	Confident	72.9	Confident	6 Å²	6	66.2 Å²	66.2	3%	0.026	36%	0.364	C	S	.	.	H	α-helix	trans	-60.8	-47	174.9	-173.8	-103.3	0	0	0	111.5	Y66 A69 F70 F73 I81 I117 D118 F119 R124 F125 L126	Y66-F122 WeakPolarHBondContact O-CE1 3.07Å; A69-F122 HydrophobicContact CB-CE1 4.18Å; A69-F122 HydrophobicContact CB-CZ 4.19Å; F70-F122 HydrophobicContact CB-CD1 4.21Å; F70-F122 HydrophobicContact CB-CE1 4.26Å; F70-F122 HydrophobicContact CD2-CB 3.79Å; F70-F122 AromaticContact CD2-CD1 3.98Å; F70-F122 HydrophobicContact CD2-CD1 3.98Å; F70-F122 HydrophobicContact CD2-CD2 4.36Å; F70-F122 AromaticContact CD2-CG 3.81Å; F70-F122 HydrophobicContact CD2-CG 3.81Å; F70-F122 HydrophobicContact CE2-CB 4.12Å; F73-F122 HydrophobicContact CD2-CE2 4.11Å; F73-F122 HydrophobicContact CD2-CZ 4.04Å; F73-F122 HydrophobicContact CE2-CE2 4.19Å; F73-F122 HydrophobicContact CE2-CZ 4.01Å; I81-F122 HydrophobicContact CD1-CD2 3.83Å; I81-F122 HydrophobicContact CD1-CE2 4.07Å; I81-F122 HydrophobicContact CD1-CG 4.44Å; I117-F122 HydrophobicContact CG2-CB 3.82Å; I117-F122 HydrophobicContact CG2-CD2 4.43Å; D118-F122 WeakPolarHBondContact O-CB 3.3Å; D118-F122 PolarHBondContact O-N 3.38Å; F119-F122 PolarHBondContact O-N 3.44Å; F122-R124 VanDerWaalsContact C-N 3.33Å; F122-R124 PolarHBondContact O-N 3.5Å; F122-F125 PolarHBondContact O-N 3.42Å; F122-L126 HydrophobicContact CD1-CD1 3.76Å; F122-L126 HydrophobicContact CD1-CG 4.35Å; F122-L126 HydrophobicContact CE1-CD1 3.21Å; F122-L126 HydrophobicContact CE1-CG 4.11Å; F122-L126 HydrophobicContact CE2-CD1 4.28Å; F122-L126 HydrophobicContact CE2-CG 4.46Å; F122-L126 HydrophobicContact CG-CD1 4.49Å; F122-L126 HydrophobicContact CZ-CD1 3.52Å; F122-L126 HydrophobicContact CZ-CG 4.17Å; F122-L126 WeakPolarHBondContact O-CB 3Å; F122-L126 WeakPolarHBondContact O-CG 3.43Å; F122-L126 PolarHBondContact O-N 3.47Å
123	V	77.5	Confident	71.1	Confident	19 Å²	19	64.8 Å²	64.8	12%	0.115	36%	0.359	C	S	.	.	H	α-helix	trans	-63.4	-39.4	175.2	173.3	0	0	0	0	111	I58 Y66 F119 S127	I58-V123 HydrophobicContact CD1-CG1 4.12Å; Y66-V123 HydrophobicContact CD2-CG1 4.18Å; Y66-V123 HydrophobicContact CD2-CG2 4.08Å; F119-V123 HydrophobicContact CD1-CG2 4.44Å; F119-V123 HydrophobicContact CD2-CG2 4.35Å; F119-V123 HydrophobicContact CE1-CG2 3.99Å; F119-V123 HydrophobicContact CE2-CG2 3.87Å; F119-V123 HydrophobicContact CZ-CG2 3.69Å; F119-V123 VanDerWaalsContact O-CG2 3.26Å; F119-V123 WeakPolarHBondContact O-CG2 3.29Å; F119-V123 PolarHBondContact O-N 2.74Å; V123-S127 WeakPolarHBondContact O-CB 3.38Å; V123-S127 PolarHBondContact O-N 2.82Å; V123-S127 PolarHBondContact O-OG 2.82Å
124	R	74.1	Confident	69.6	Low	162 Å²	162	64.5 Å²	64.5	61%	0.611	34%	0.343	S	S	*	.	H	α-helix	trans	-66.6	-40.4	175	-83	-176.9	165.2	165	-0.8	112.8	S120 E121 F122 S127 R128	S120-R124 WeakPolarHBondContact O-CB 3.19Å; S120-R124 WeakPolarHBondContact O-CG 3.26Å; S120-R124 PolarHBondContact O-N 3.36Å; E121-R124 CarbonylContact O-C 3.59Å; E121-R124 PolarHBondContact O-N 3.25Å; F122-R124 VanDerWaalsContact C-N 3.33Å; F122-R124 PolarHBondContact O-N 3.5Å; R124-S127 VanDerWaalsContact CA-OG 3.25Å; R124-S127 WeakPolarHBondContact CA-OG 3.04Å; R124-S127 PolarHBondContact O-N 3.36Å; R124-S127 PolarHBondContact O-OG 3.3Å; R124-R128 WeakPolarHBondContact O-CB 3.2Å; R124-R128 PolarHBondContact O-N 2.74Å
125	F	75.4	Confident	68.1	Low	20 Å²	20	66.6 Å²	66.6	9%	0.088	35%	0.35	C	S	.	.	H	α-helix	trans	-65.5	-48.2	177.8	-179	-103.3	0	0	0	110.2	M105 Q108 A109 E121 F122 S127 R128 W129	M105-F125 HydrophobicContact CB-CZ 4.25Å; Q108-F125 HydrophobicContact CB-CE2 3.99Å; Q108-F125 HydrophobicContact CG-CD2 4.45Å; Q108-F125 HydrophobicContact CG-CE2 3.96Å; A109-F125 VanDerWaalsContact CA-CD2 3.47Å; A109-F125 HydrophobicContact CB-CB 3.73Å; A109-F125 HydrophobicContact CB-CD1 4.23Å; A109-F125 HydrophobicContact CB-CD2 3.4Å; A109-F125 VanDerWaalsContact CB-CD2 3.4Å; A109-F125 HydrophobicContact CB-CE2 4Å; A109-F125 HydrophobicContact CB-CG 3.52Å; E121-F125 WeakPolarHBondContact O-CB 3.04Å; E121-F125 PolarHBondContact O-N 2.87Å; F122-F125 PolarHBondContact O-N 3.42Å; F125-S127 PolarHBondContact O-N 3.35Å; F125-R128 PolarHBondContact O-N 2.85Å; F125-W129 AromaticContact CD2-CD1 3.88Å; F125-W129 HydrophobicContact CE1-CG 4.48Å; F125-W129 AromaticContact CE2-CD1 3.53Å; F125-W129 HydrophobicContact CE2-CG 4.43Å; F125-W129 AromaticContact CE2-NE1 3.32Å; F125-W129 VanDerWaalsContact CE2-NE1 3.32Å; F125-W129 AromaticContact CZ-CD1 3.73Å; F125-W129 HydrophobicContact CZ-CD2 4.32Å; F125-W129 AromaticContact CZ-CE2 3.93Å; F125-W129 HydrophobicContact CZ-CG 4.23Å; F125-W129 AromaticContact CZ-NE1 3.53Å; F125-W129 WeakPolarHBondContact O-CB 3.45Å; F125-W129 PolarHBondContact O-N 3.29Å
126	L	70	Confident	66.8	Low	31 Å²	31	72.1 Å²	72.1	16%	0.162	37%	0.368	C	S	.	.	H	α-helix	trans	-70.6	-24.2	175.6	-71.7	-174	0	0	0	114.3	Y66 F122 W129	Y66-L126 HydrophobicContact CD1-CD1 3.56Å; Y66-L126 HydrophobicContact CE1-CB 4.24Å; Y66-L126 HydrophobicContact CE1-CD1 3.76Å; Y66-L126 HydrophobicContact CE2-CB 4.34Å; Y66-L126 HydrophobicContact CG-CD1 4.01Å; F122-L126 HydrophobicContact CD1-CD1 3.76Å; F122-L126 HydrophobicContact CD1-CG 4.35Å; F122-L126 HydrophobicContact CE1-CD1 3.21Å; F122-L126 HydrophobicContact CE1-CG 4.11Å; F122-L126 HydrophobicContact CE2-CD1 4.28Å; F122-L126 HydrophobicContact CE2-CG 4.46Å; F122-L126 HydrophobicContact CG-CD1 4.49Å; F122-L126 HydrophobicContact CZ-CD1 3.52Å; F122-L126 HydrophobicContact CZ-CG 4.17Å; F122-L126 WeakPolarHBondContact O-CB 3Å; F122-L126 WeakPolarHBondContact O-CG 3.43Å; F122-L126 PolarHBondContact O-N 3.47Å; L126-W129 CarbonylContact C-O 3.54Å; L126-W129 CarbonylContact O-C 3.58Å
127	S	66.7	Low	65.3	Low	59 Å²	59	77.2 Å²	77.2	41%	0.413	39%	0.388	S	S	.	.	H	α-helix	trans	-81.2	-29.5	172.1	54.8	0	0	0	0	111.9	V123 R124 F125	V123-S127 WeakPolarHBondContact O-CB 3.38Å; V123-S127 PolarHBondContact O-N 2.82Å; V123-S127 PolarHBondContact O-OG 2.82Å; R124-S127 VanDerWaalsContact CA-OG 3.25Å; R124-S127 WeakPolarHBondContact CA-OG 3.04Å; R124-S127 PolarHBondContact O-N 3.36Å; R124-S127 PolarHBondContact O-OG 3.3Å; F125-S127 PolarHBondContact O-N 3.35Å
128	R	61.9	Low	64.1	Low	195 Å²	195	81.3 Å²	81.3	74%	0.736	41%	0.407	S	S	*	.	H	α-helix	trans	-81.4	-42.7	177.2	-176	172.3	-176	169.7	0.9	112.5	R124 F125 S130	R124-R128 WeakPolarHBondContact O-CB 3.2Å; R124-R128 PolarHBondContact O-N 2.74Å; F125-R128 PolarHBondContact O-N 2.85Å; R128-S130 PolarHBondContact O-N 3.36Å; R128-S130 VanDerWaalsContact O-N 3.09Å
129	W	54.8	Low	62.9	Low	106 Å²	106	80.2 Å²	80.2	40%	0.402	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	82.8	158.4	-77.9	68.3	0	0	0	105.4	F125 L126 V131	F125-W129 AromaticContact CD2-CD1 3.88Å; F125-W129 HydrophobicContact CE1-CG 4.48Å; F125-W129 AromaticContact CE2-CD1 3.53Å; F125-W129 HydrophobicContact CE2-CG 4.43Å; F125-W129 AromaticContact CE2-NE1 3.32Å; F125-W129 VanDerWaalsContact CE2-NE1 3.32Å; F125-W129 AromaticContact CZ-CD1 3.73Å; F125-W129 HydrophobicContact CZ-CD2 4.32Å; F125-W129 AromaticContact CZ-CE2 3.93Å; F125-W129 HydrophobicContact CZ-CG 4.23Å; F125-W129 AromaticContact CZ-NE1 3.53Å; F125-W129 WeakPolarHBondContact O-CB 3.45Å; F125-W129 PolarHBondContact O-N 3.29Å; L126-W129 CarbonylContact C-O 3.54Å; L126-W129 CarbonylContact O-C 3.58Å; W129-V131 PolarHBondContact O-N 2.85Å
130	S	46.7	Very low	61.9	Low	95 Å²	95	79.1 Å²	79.1	66%	0.664	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	85.8	153.2	61	0	0	0	0	105.6	R128 P132	R128-S130 PolarHBondContact O-N 3.36Å; R128-S130 VanDerWaalsContact O-N 3.09Å; S130-P132 WeakPolarHBondContact O-CD 3.4Å
131	V	41.9	Very low	61	Low	89 Å²	89	80.6 Å²	80.6	54%	0.539	40%	0.404	S	S	.	.			trans	-53.6	111.7	145.5	-163	0	0	0	0	99.1	W129 V133	W129-V131 PolarHBondContact O-N 2.85Å; V131-V133 PolarHBondContact O-N 2.9Å
132	P	40.9	Very low	60.1	Low	94 Å²	94	82.2 Å²	82.2	61%	0.61	41%	0.413	S	S	*	.			trans	-59.2	95.1	157.7	27.9	-27.9	0	0	0	101.7	S130 D134	S130-P132 WeakPolarHBondContact O-CD 3.4Å; P132-D134 PolarHBondContact O-N 3.18Å
133	V	46.1	Very low	59.5	Low	73 Å²	73	82 Å²	82	44%	0.442	41%	0.412	S	S	.	.			trans	-52.1	93.8	134.4	-171.3	0	0	0	0	99.8	V131 E135 E138	V131-V133 PolarHBondContact O-N 2.9Å; V133-E135 PolarHBondContact O-N 3.4Å; V133-E138 HydrophobicContact CG1-CB 4.27Å; V133-E138 WeakPolarHBondContact CG1-OE2 3.28Å
134	D	50.1	Low	59	Low	53 Å²	53	86.6 Å²	86.6	28%	0.283	43%	0.432	S	S	.	.			trans	-61.1	98.3	178.5	-134.1	-22.6	0	0	0	99.2	P132 E136 K137 E138	P132-D134 PolarHBondContact O-N 3.18Å; D134-E136 CarbonylContact O-C 3.59Å; D134-E136 PolarHBondContact O-N 2.74Å; D134-E136 VanDerWaalsContact O-N 3.08Å; D134-K137 HydrophobicContact CB-CB 3.62Å; D134-K137 HydrophobicContact CB-CD 3.79Å; D134-K137 HydrophobicContact CB-CG 3.54Å; D134-K137 CarbonylContact O-C 3.43Å; D134-K137 WeakPolarHBondContact O-CA 3.5Å; D134-K137 PolarHBondContact O-N 3.46Å; D134-K137 WeakPolarHBondContact OD2-CE 3.45Å; D134-K137 IonicContact OD2-NZ 2.69Å; D134-K137 PolarHBondContact OD2-NZ 2.86Å; D134-E138 PolarHBondContact O-N 2.89Å
135	E	53.7	Low	58.9	Low	140 Å²	140	83.2 Å²	83.2	65%	0.654	43%	0.429	S	S	*	.	H	α-helix	trans	-51.9	-35.5	179.1	-69	175.8	174	0	0	106.4	V133 K137 E138 L139	V133-E135 PolarHBondContact O-N 3.4Å; E135-K137 PolarHBondContact O-N 2.94Å; E135-E138 PolarHBondContact O-N 3.18Å; E135-L139 HydrophobicContact CB-CD1 4.45Å; E135-L139 WeakPolarHBondContact O-CA 3.31Å; E135-L139 WeakPolarHBondContact O-CB 3.44Å; E135-L139 WeakPolarHBondContact O-CD1 3.36Å; E135-L139 WeakPolarHBondContact O-CG 3.5Å; E135-L139 PolarHBondContact O-N 3.07Å
136	E	53.5	Low	58.8	Low	146 Å²	146	83 Å²	83	68%	0.682	43%	0.428	S	S	*	.	H	α-helix	trans	-56	-41	168.1	-164	174.2	-176.9	0	0	115	D134 A140	D134-E136 CarbonylContact O-C 3.59Å; D134-E136 PolarHBondContact O-N 2.74Å; D134-E136 VanDerWaalsContact O-N 3.08Å; E136-A140 WeakPolarHBondContact O-CA 3.36Å; E136-A140 WeakPolarHBondContact O-CB 3.48Å; E136-A140 PolarHBondContact O-N 3.5Å
137	K	54.8	Low	59.1	Low	135 Å²	135	81.9 Å²	81.9	59%	0.587	42%	0.422	S	S	*	.	H	α-helix	trans	-75.6	-39	175.4	-72.7	-178.3	-177.2	112	0	112.9	D134 E135 A140 L141	D134-K137 HydrophobicContact CB-CB 3.62Å; D134-K137 HydrophobicContact CB-CD 3.79Å; D134-K137 HydrophobicContact CB-CG 3.54Å; D134-K137 CarbonylContact O-C 3.43Å; D134-K137 WeakPolarHBondContact O-CA 3.5Å; D134-K137 PolarHBondContact O-N 3.46Å; D134-K137 WeakPolarHBondContact OD2-CE 3.45Å; D134-K137 IonicContact OD2-NZ 2.69Å; D134-K137 PolarHBondContact OD2-NZ 2.86Å; E135-K137 PolarHBondContact O-N 2.94Å; K137-A140 PolarHBondContact O-N 2.69Å; K137-L141 VanDerWaalsContact O-CG 3.28Å; K137-L141 WeakPolarHBondContact O-CG 3.18Å; K137-L141 PolarHBondContact O-N 3.43Å
138	E	59.4	Low	59.5	Low	87 Å²	87	84.2 Å²	84.2	41%	0.407	43%	0.427	S	S	.	.	H	α-helix	trans	-68.4	-45.4	176.5	-171.8	169	-157.7	0	0	110.1	V133 D134 E135 A140 L141 I142	V133-E138 HydrophobicContact CG1-CB 4.27Å; V133-E138 WeakPolarHBondContact CG1-OE2 3.28Å; D134-E138 PolarHBondContact O-N 2.89Å; E135-E138 PolarHBondContact O-N 3.18Å; E138-A140 VanDerWaalsContact C-N 3.32Å; E138-A140 PolarHBondContact O-N 3.09Å; E138-L141 WeakPolarHBondContact O-CB 3.36Å; E138-L141 PolarHBondContact O-N 2.93Å; E138-I142 HydrophobicContact CG-CD1 4.32Å; E138-I142 VanDerWaalsContact O-CG1 3.31Å; E138-I142 WeakPolarHBondContact O-CG1 3.46Å; E138-I142 PolarHBondContact O-N 3.41Å
139	L	61.6	Low	60.3	Low	31 Å²	31	79.1 Å²	79.1	16%	0.162	41%	0.414	C	S	.	.	H	α-helix	trans	-58.9	-43.1	169.5	-69.5	168.1	0	0	0	110.7	E135 L141 I142 F143 N195 I196	E135-L139 HydrophobicContact CB-CD1 4.45Å; E135-L139 WeakPolarHBondContact O-CA 3.31Å; E135-L139 WeakPolarHBondContact O-CB 3.44Å; E135-L139 WeakPolarHBondContact O-CD1 3.36Å; E135-L139 WeakPolarHBondContact O-CG 3.5Å; E135-L139 PolarHBondContact O-N 3.07Å; L139-L141 VanDerWaalsContact C-N 3.32Å; L139-L141 PolarHBondContact O-N 3.37Å; L139-I142 CarbonylContact O-C 3.55Å; L139-I142 WeakPolarHBondContact O-CB 3.36Å; L139-I142 PolarHBondContact O-N 2.91Å; L139-F143 WeakPolarHBondContact O-CB 3.08Å; L139-F143 VanDerWaalsContact O-CD2 3.23Å; L139-F143 WeakPolarHBondContact O-CD2 3.07Å; L139-F143 PolarHBondContact O-N 3.26Å; L139-N195 HydrophobicContact CD2-CB 4.06Å; L139-I196 HydrophobicContact CD1-CD1 4.47Å; L139-I196 HydrophobicContact CD1-CG1 4.26Å; L139-I196 HydrophobicContact CD2-CG1 4.42Å
140	A	62.9	Low	61.2	Low	38 Å²	38	81.3 Å²	81.3	31%	0.314	43%	0.427	S	S	.	.	H	α-helix	trans	-63.7	-36.3	176.9	0	0	0	0	0	112.8	E136 K137 E138 Q144 F192	E136-A140 WeakPolarHBondContact O-CA 3.36Å; E136-A140 WeakPolarHBondContact O-CB 3.48Å; E136-A140 PolarHBondContact O-N 3.5Å; K137-A140 PolarHBondContact O-N 2.69Å; E138-A140 VanDerWaalsContact C-N 3.32Å; E138-A140 PolarHBondContact O-N 3.09Å; A140-Q144 WeakPolarHBondContact O-CB 3.29Å; A140-Q144 PolarHBondContact O-N 3.1Å; A140-F192 HydrophobicContact CB-CE1 4.37Å
141	L	64	Low	62.7	Low	106 Å²	106	80.9 Å²	80.9	56%	0.555	42%	0.417	S	S	*	.	H	α-helix	trans	-67.2	-41.2	173.5	-74	170.9	0	0	0	111.2	K137 E138 L139 Q144 V145	K137-L141 VanDerWaalsContact O-CG 3.28Å; K137-L141 WeakPolarHBondContact O-CG 3.18Å; K137-L141 PolarHBondContact O-N 3.43Å; E138-L141 WeakPolarHBondContact O-CB 3.36Å; E138-L141 PolarHBondContact O-N 2.93Å; L139-L141 VanDerWaalsContact C-N 3.32Å; L139-L141 PolarHBondContact O-N 3.37Å; L141-Q144 PolarHBondContact O-N 2.99Å; L141-V145 WeakPolarHBondContact O-CG2 3.33Å; L141-V145 PolarHBondContact O-N 2.8Å; L141-V145 VanDerWaalsContact O-N 3.09Å
142	I	65.4	Low	64.1	Low	42 Å²	42	77.6 Å²	77.6	22%	0.215	40%	0.401	C	S	.	.	H	α-helix	trans	-61.6	-53.1	174.6	-71.4	167.7	0	0	0	109.8	E138 L139 Q144 V145 F146 F199	E138-I142 HydrophobicContact CG-CD1 4.32Å; E138-I142 VanDerWaalsContact O-CG1 3.31Å; E138-I142 WeakPolarHBondContact O-CG1 3.46Å; E138-I142 PolarHBondContact O-N 3.41Å; L139-I142 CarbonylContact O-C 3.55Å; L139-I142 WeakPolarHBondContact O-CB 3.36Å; L139-I142 PolarHBondContact O-N 2.91Å; I142-Q144 VanDerWaalsContact C-N 3.27Å; I142-Q144 PolarHBondContact O-N 2.98Å; I142-V145 WeakPolarHBondContact O-CA 3.5Å; I142-V145 WeakPolarHBondContact O-CB 3.23Å; I142-V145 PolarHBondContact O-N 3.16Å; I142-F146 HydrophobicContact CG2-CD2 3.64Å; I142-F146 HydrophobicContact CG2-CE2 3.75Å; I142-F146 VanDerWaalsContact O-CD2 3.27Å; I142-F146 WeakPolarHBondContact O-CD2 3.1Å; I142-F146 PolarHBondContact O-N 3.11Å; I142-F199 HydrophobicContact CD1-CE2 4.09Å; I142-F199 HydrophobicContact CD1-CZ 3.97Å; I142-F199 HydrophobicContact CG1-CZ 4.41Å; I142-F199 HydrophobicContact CG2-CE2 3.63Å; I142-F199 HydrophobicContact CG2-CZ 3.52Å
143	F	67.4	Low	66	Low	2 Å²	2	75.3 Å²	75.3	1%	0.009	38%	0.383	C	S	.	.	H	α-helix	trans	-51.9	-48	174.1	-92.8	-78.4	0	0	0	111	L139 V145 F146 D147 I154 N191 F192 N195	L139-F143 WeakPolarHBondContact O-CB 3.08Å; L139-F143 VanDerWaalsContact O-CD2 3.23Å; L139-F143 WeakPolarHBondContact O-CD2 3.07Å; L139-F143 PolarHBondContact O-N 3.26Å; F143-V145 PolarHBondContact O-N 2.99Å; F143-V145 VanDerWaalsContact O-N 3.14Å; F143-F146 CarbonylContact O-C 3.56Å; F143-F146 PolarHBondContact O-N 3.26Å; F143-D147 WeakPolarHBondContact O-CA 3.33Å; F143-D147 WeakPolarHBondContact O-CB 3.38Å; F143-D147 PolarHBondContact O-N 3.4Å; F143-I154 HydrophobicContact CD1-CD1 3.63Å; F143-I154 HydrophobicContact CD1-CG1 3.73Å; F143-I154 HydrophobicContact CE1-CD1 3.52Å; F143-I154 HydrophobicContact CE1-CG1 3.75Å; F143-I154 HydrophobicContact CG-CD1 4.44Å; F143-I154 HydrophobicContact CZ-CD1 4.26Å; F143-N191 VanDerWaalsContact CZ-O 3.23Å; F143-N191 WeakPolarHBondContact CZ-O 3.48Å; F143-F192 HydrophobicContact CB-CE1 3.84Å; F143-F192 HydrophobicContact CB-CZ 3.98Å; F143-F192 HydrophobicContact CD1-CE1 4.38Å; F143-F192 HydrophobicContact CD1-CZ 4.33Å; F143-F192 AromaticContact CD2-CD1 3.3Å; F143-F192 HydrophobicContact CD2-CD1 3.3Å; F143-F192 AromaticContact CD2-CE1 3.33Å; F143-F192 HydrophobicContact CD2-CE1 3.33Å; F143-F192 HydrophobicContact CD2-CG 4.04Å; F143-F192 HydrophobicContact CD2-CZ 4.07Å; F143-F192 HydrophobicContact CE2-CB 4.11Å; F143-F192 AromaticContact CE2-CD1 3.47Å; F143-F192 HydrophobicContact CE2-CD1 3.47Å; F143-F192 VanDerWaalsContact CE2-CD1 3.47Å; F143-F192 AromaticContact CE2-CE1 3.99Å; F143-F192 HydrophobicContact CE2-CE1 3.99Å; F143-F192 AromaticContact CE2-CG 3.84Å; F143-F192 HydrophobicContact CE2-CG 3.84Å; F143-F192 AromaticContact CG-CD1 3.94Å; F143-F192 HydrophobicContact CG-CD1 3.94Å; F143-F192 AromaticContact CG-CE1 3.59Å; F143-F192 HydrophobicContact CG-CE1 3.59Å; F143-F192 HydrophobicContact CG-CE2 4.45Å; F143-F192 AromaticContact CG-CZ 3.87Å; F143-F192 HydrophobicContact CG-CZ 3.87Å; F143-F192 HydrophobicContact CZ-CB 4.34Å; F143-F192 HydrophobicContact CZ-CD1 4.24Å; F143-F192 HydrophobicContact CZ-CG 4.18Å; F143-N195 HydrophobicContact CD2-CB 4.38Å; F143-N195 WeakPolarHBondContact CD2-ND2 2.84Å; F143-N195 HydrophobicContact CE2-CB 3.39Å; F143-N195 WeakPolarHBondContact CE2-ND2 3.14Å; F143-N195 HydrophobicContact CZ-CB 3.56Å; F143-N195 WeakPolarHBondContact CZ-ND2 3.23Å; F143-N195 WeakPolarHBondContact CZ-OD1 3.41Å
144	Q	68.7	Low	67.6	Low	114 Å²	114	71.9 Å²	71.9	53%	0.533	36%	0.362	S	S	.	.	H	α-helix	trans	-61.3	-26.2	179.6	-174.9	-179.7	-3.9	0	0	113.5	A140 L141 I142	A140-Q144 WeakPolarHBondContact O-CB 3.29Å; A140-Q144 PolarHBondContact O-N 3.1Å; L141-Q144 PolarHBondContact O-N 2.99Å; I142-Q144 VanDerWaalsContact C-N 3.27Å; I142-Q144 PolarHBondContact O-N 2.98Å
145	V	70.5	Confident	69.2	Low	92 Å²	92	70.5 Å²	70.5	56%	0.558	36%	0.357	S	S	*	.	H	α-helix	trans	-78.2	-41.5	173.4	172.1	0	0	0	0	110.9	L141 I142 F143 V162	L141-V145 WeakPolarHBondContact O-CG2 3.33Å; L141-V145 PolarHBondContact O-N 2.8Å; L141-V145 VanDerWaalsContact O-N 3.09Å; I142-V145 WeakPolarHBondContact O-CA 3.5Å; I142-V145 WeakPolarHBondContact O-CB 3.23Å; I142-V145 PolarHBondContact O-N 3.16Å; F143-V145 PolarHBondContact O-N 2.99Å; F143-V145 VanDerWaalsContact O-N 3.14Å; V145-V162 HydrophobicContact CG1-CG1 4.1Å; V145-V162 WeakPolarHBondContact O-CG2 3.36Å
146	F	73	Confident	70.6	Confident	14 Å²	14	66.1 Å²	66.1	6%	0.061	34%	0.341	C	S	.	.	H	α-helix	trans	-75.8	-51.1	-178.7	-79.5	-83.2	0	0	0	113.2	I142 F143 Q148 I154 E158 L159 V162 M163 F199	I142-F146 HydrophobicContact CG2-CD2 3.64Å; I142-F146 HydrophobicContact CG2-CE2 3.75Å; I142-F146 VanDerWaalsContact O-CD2 3.27Å; I142-F146 WeakPolarHBondContact O-CD2 3.1Å; I142-F146 PolarHBondContact O-N 3.11Å; F143-F146 CarbonylContact O-C 3.56Å; F143-F146 PolarHBondContact O-N 3.26Å; F146-Q148 PolarHBondContact O-N 2.83Å; F146-I154 HydrophobicContact CB-CD1 3.4Å; F146-I154 VanDerWaalsContact CB-CD1 3.4Å; F146-I154 HydrophobicContact CB-CG1 3.66Å; F146-I154 HydrophobicContact CB-CG2 4.04Å; F146-I154 HydrophobicContact CG-CD1 3.98Å; F146-E158 WeakPolarHBondContact O-CB 3.33Å; F146-L159 HydrophobicContact CD1-CD1 3.95Å; F146-L159 HydrophobicContact CE1-CD1 3.65Å; F146-V162 HydrophobicContact CB-CG2 4.46Å; F146-V162 HydrophobicContact CD1-CB 3.54Å; F146-V162 HydrophobicContact CD1-CG1 3.55Å; F146-V162 HydrophobicContact CD1-CG2 3.89Å; F146-V162 HydrophobicContact CD2-CG1 4.4Å; F146-V162 HydrophobicContact CE1-CB 3.61Å; F146-V162 HydrophobicContact CE1-CG1 3.32Å; F146-V162 HydrophobicContact CE1-CG2 4.45Å; F146-V162 HydrophobicContact CE2-CG1 4.22Å; F146-V162 HydrophobicContact CG-CB 4.34Å; F146-V162 HydrophobicContact CG-CG1 4.09Å; F146-V162 HydrophobicContact CG-CG2 4.35Å; F146-V162 HydrophobicContact CZ-CB 4.46Å; F146-V162 HydrophobicContact CZ-CG1 3.69Å; F146-M163 HydrophobicContact CE1-CE 3.85Å; F146-M163 HydrophobicContact CZ-CE 3.8Å; F146-F199 HydrophobicContact CE2-CZ 4.19Å
147	D	77.7	Confident	72.1	Confident	8 Å²	8	65 Å²	65	4%	0.043	34%	0.34	C	S	.	.			trans	-74.1	87.4	177.3	177.1	12.4	0	0	0	110.3	F143 N149 K150 D151 G152 I154	F143-D147 WeakPolarHBondContact O-CA 3.33Å; F143-D147 WeakPolarHBondContact O-CB 3.38Å; F143-D147 PolarHBondContact O-N 3.4Å; D147-N149 PolarHBondContact O-N 2.84Å; D147-N149 PolarHBondContact OD1-N 3.12Å; D147-N149 PolarHBondContact OD1-OD1 2.86Å; D147-K150 VanDerWaalsContact CG-CA 3.45Å; D147-K150 VanDerWaalsContact CG-N 3.34Å; D147-K150 VanDerWaalsContact OD1-CA 3.29Å; D147-K150 WeakPolarHBondContact OD1-CA 3.38Å; D147-K150 PolarHBondContact OD1-N 2.8Å; D147-K150 WeakPolarHBondContact OD2-CA 3.27Å; D147-K150 PolarHBondContact OD2-N 3.29Å; D147-D151 PolarHBondContact OD1-N 2.97Å; D147-D151 PolarHBondContact OD2-N 2.94Å; D147-G152 WeakPolarHBondContact OD2-CA 2.99Å; D147-G152 PolarHBondContact OD2-N 3.18Å; D147-I154 HydrophobicContact CB-CG1 4.46Å
148	Q	74.2	Confident	73.6	Confident	109 Å²	109	59.1 Å²	59.1	51%	0.509	31%	0.314	S	S	.	.	S	Bend	trans	-68.3	-29.9	179.8	-64	-177.7	11.6	0	0	111.3	F146 E158 S161	F146-Q148 PolarHBondContact O-N 2.83Å; Q148-E158 HydrophobicContact CB-CG 4.29Å; Q148-E158 HydrophobicContact CG-CG 4.31Å; Q148-E158 PolarHBondContact N-OE1 3.17Å; Q148-S161 PolarHBondContact NE2-OG 3.01Å
149	N	78.7	Confident	74.7	Confident	87 Å²	87	55 Å²	55	47%	0.465	30%	0.295	S	S	.	.	S	Bend	trans	-88.4	-15.8	-174.5	85.4	54.5	0	0	0	112.9	D147 D151 E158	D147-N149 PolarHBondContact O-N 2.84Å; D147-N149 PolarHBondContact OD1-N 3.12Å; D147-N149 PolarHBondContact OD1-OD1 2.86Å; N149-D151 PolarHBondContact ND2-OD2 2.82Å; N149-D151 VanDerWaalsContact ND2-OD2 3.07Å; N149-D151 WeakPolarHBondContact OD1-CA 3.41Å; N149-D151 WeakPolarHBondContact OD1-CB 3.46Å; N149-D151 PolarHBondContact OD1-N 3.15Å; N149-D151 PolarHBondContact OD1-OD1 3.07Å; N149-D151 PolarHBondContact OD1-OD2 3.18Å; N149-E158 WeakPolarHBondContact CB-OE1 3.42Å; N149-E158 PolarHBondContact N-OE1 2.86Å; N149-E158 PolarHBondContact ND2-OE1 3.02Å
150	K	73	Confident	75.7	Confident	153 Å²	153	59.5 Å²	59.5	67%	0.665	31%	0.31	S	S	*	.			trans	65.8	31.9	-180	-57.5	-177.4	-177.6	176.2	0	114.6	D147 G152	D147-K150 VanDerWaalsContact CG-CA 3.45Å; D147-K150 VanDerWaalsContact CG-N 3.34Å; D147-K150 VanDerWaalsContact OD1-CA 3.29Å; D147-K150 WeakPolarHBondContact OD1-CA 3.38Å; D147-K150 PolarHBondContact OD1-N 2.8Å; D147-K150 WeakPolarHBondContact OD2-CA 3.27Å; D147-K150 PolarHBondContact OD2-N 3.29Å; K150-G152 VanDerWaalsContact C-N 3.3Å
151	D	79.3	Confident	76.6	Confident	86 Å²	86	59.5 Å²	59.5	46%	0.46	31%	0.307	S	S	.	.	S	Bend	trans	-83	-6.7	175.1	64.5	9.6	0	0	0	113.5	D147 N149 L153	D147-D151 PolarHBondContact OD1-N 2.97Å; D147-D151 PolarHBondContact OD2-N 2.94Å; N149-D151 PolarHBondContact ND2-OD2 2.82Å; N149-D151 VanDerWaalsContact ND2-OD2 3.07Å; N149-D151 WeakPolarHBondContact OD1-CA 3.41Å; N149-D151 WeakPolarHBondContact OD1-CB 3.46Å; N149-D151 PolarHBondContact OD1-N 3.15Å; N149-D151 PolarHBondContact OD1-OD1 3.07Å; N149-D151 PolarHBondContact OD1-OD2 3.18Å; D151-L153 WeakPolarHBondContact OD1-CA 3.5Å; D151-L153 WeakPolarHBondContact OD1-CB 3.19Å; D151-L153 PolarHBondContact OD1-N 3.38Å
152	G	72.1	Confident	77.2	Confident	20 Å²	20	54.8 Å²	54.8	21%	0.206	28%	0.283	C	S	.	.	S	Bend	trans	83.5	11.1	-176.7	0	0	0	0	0	113.8	D147 K150	D147-G152 WeakPolarHBondContact OD2-CA 2.99Å; D147-G152 PolarHBondContact OD2-N 3.18Å; K150-G152 VanDerWaalsContact C-N 3.3Å
153	L	79.1	Confident	77.7	Confident	46 Å²	46	53 Å²	53	24%	0.241	27%	0.274	C	S	.	.			trans	-129.2	145.2	-179.1	-59.9	170.7	0	0	0	109.2	D151 L189 I190 N191	D151-L153 WeakPolarHBondContact OD1-CA 3.5Å; D151-L153 WeakPolarHBondContact OD1-CB 3.19Å; D151-L153 PolarHBondContact OD1-N 3.38Å; L153-L189 HydrophobicContact CB-CB 4.22Å; L153-L189 HydrophobicContact CB-CD1 4.36Å; L153-L189 HydrophobicContact CD1-CD1 3.71Å; L153-I190 CarbonylContact C-O 3.57Å; L153-I190 WeakPolarHBondContact CA-O 3.34Å; L153-N191 HydrophobicContact CD2-CB 3.82Å
154	I	79.7	Confident	78.3	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-104.2	113.6	174.3	-56.2	164.6	0	0	0	108	F143 F146 D147 E158 L159 I190 N195	F143-I154 HydrophobicContact CD1-CD1 3.63Å; F143-I154 HydrophobicContact CD1-CG1 3.73Å; F143-I154 HydrophobicContact CE1-CD1 3.52Å; F143-I154 HydrophobicContact CE1-CG1 3.75Å; F143-I154 HydrophobicContact CG-CD1 4.44Å; F143-I154 HydrophobicContact CZ-CD1 4.26Å; F146-I154 HydrophobicContact CB-CD1 3.4Å; F146-I154 VanDerWaalsContact CB-CD1 3.4Å; F146-I154 HydrophobicContact CB-CG1 3.66Å; F146-I154 HydrophobicContact CB-CG2 4.04Å; F146-I154 HydrophobicContact CG-CD1 3.98Å; D147-I154 HydrophobicContact CB-CG1 4.46Å; I154-E158 HydrophobicContact CG2-CB 4.05Å; I154-L159 HydrophobicContact CG2-CB 3.96Å; I154-I190 HydrophobicContact CB-CB 4.17Å; I154-I190 PolarHBondContact N-O 2.87Å; I154-I190 PolarHBondContact O-N 2.87Å; I154-N195 WeakPolarHBondContact CD1-OD1 3.42Å
155	S	83.7	Confident	78.5	Confident	24 Å²	24	57.3 Å²	57.3	17%	0.168	30%	0.3	C	S	.	.			trans	-77.1	159.6	173.3	69.1	0	0	0	0	112.1	N157 E158 L159	S155-N157 PolarHBondContact O-N 3.04Å; S155-N157 VanDerWaalsContact O-N 3.15Å; S155-E158 VanDerWaalsContact CB-OE2 3.25Å; S155-E158 WeakPolarHBondContact CB-OE2 3.36Å; S155-E158 PolarHBondContact N-OE2 3.31Å; S155-E158 WeakPolarHBondContact O-CB 3.46Å; S155-E158 PolarHBondContact O-N 3.46Å; S155-E158 WeakPolarHBondContact OG-CB 3.34Å; S155-E158 VanDerWaalsContact OG-CD 3.3Å; S155-E158 WeakPolarHBondContact OG-CG 3.38Å; S155-E158 PolarHBondContact OG-N 3.03Å; S155-E158 PolarHBondContact OG-OE2 3.22Å; S155-L159 PolarHBondContact O-N 2.7Å
156	P	84.4	Confident	78.3	Confident	48 Å²	48	58.6 Å²	58.6	31%	0.312	30%	0.303	S	S	.	.	H	α-helix	trans	-54	-36	174.8	-16	16.6	0	0	0	114.2	R160 V175 I179	P156-R160 VanDerWaalsContact O-CB 3.31Å; P156-R160 WeakPolarHBondContact O-CB 3.43Å; P156-R160 PolarHBondContact O-N 2.75Å; P156-V175 HydrophobicContact CB-CG1 3.84Å; P156-V175 WeakPolarHBondContact O-CG1 3.46Å; P156-I179 HydrophobicContact CB-CD1 3.27Å; P156-I179 HydrophobicContact CG-CD1 3.38Å
157	N	85.4	Confident	78.4	Confident	124 Å²	124	61.1 Å²	61.1	66%	0.663	33%	0.333	S	S	*	.	H	α-helix	trans	-71.8	-37	179.8	-66.4	-38.3	0	0	0	111.6	S155 S161	S155-N157 PolarHBondContact O-N 3.04Å; S155-N157 VanDerWaalsContact O-N 3.15Å; N157-S161 WeakPolarHBondContact O-CB 3.34Å; N157-S161 PolarHBondContact O-N 2.85Å
158	E	84.6	Confident	78.1	Confident	11 Å²	11	65.5 Å²	65.5	5%	0.051	35%	0.353	C	S	.	.	H	α-helix	trans	-67.6	-48.2	175.8	-82.6	163.2	150	0	0	111.8	F146 Q148 N149 I154 S155 R160 S161 V162	F146-E158 WeakPolarHBondContact O-CB 3.33Å; Q148-E158 HydrophobicContact CB-CG 4.29Å; Q148-E158 HydrophobicContact CG-CG 4.31Å; Q148-E158 PolarHBondContact N-OE1 3.17Å; N149-E158 WeakPolarHBondContact CB-OE1 3.42Å; N149-E158 PolarHBondContact N-OE1 2.86Å; N149-E158 PolarHBondContact ND2-OE1 3.02Å; I154-E158 HydrophobicContact CG2-CB 4.05Å; S155-E158 VanDerWaalsContact CB-OE2 3.25Å; S155-E158 WeakPolarHBondContact CB-OE2 3.36Å; S155-E158 PolarHBondContact N-OE2 3.31Å; S155-E158 WeakPolarHBondContact O-CB 3.46Å; S155-E158 PolarHBondContact O-N 3.46Å; S155-E158 WeakPolarHBondContact OG-CB 3.34Å; S155-E158 VanDerWaalsContact OG-CD 3.3Å; S155-E158 WeakPolarHBondContact OG-CG 3.38Å; S155-E158 PolarHBondContact OG-N 3.03Å; S155-E158 PolarHBondContact OG-OE2 3.22Å; E158-R160 VanDerWaalsContact C-N 3.31Å; E158-R160 PolarHBondContact O-N 3.14Å; E158-S161 PolarHBondContact O-N 3.08Å; E158-S161 VanDerWaalsContact O-N 3.14Å; E158-V162 VanDerWaalsContact O-CG2 3.25Å; E158-V162 WeakPolarHBondContact O-CG2 3.11Å; E158-V162 PolarHBondContact O-N 3.1Å
159	L	82.7	Confident	78.1	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-54.6	-50	174.5	179.8	60.9	0	0	0	110.8	F146 I154 S155 S161 V162 M163 V175 M178 I179 I190	F146-L159 HydrophobicContact CD1-CD1 3.95Å; F146-L159 HydrophobicContact CE1-CD1 3.65Å; I154-L159 HydrophobicContact CG2-CB 3.96Å; S155-L159 PolarHBondContact O-N 2.7Å; L159-S161 PolarHBondContact O-N 3.02Å; L159-V162 PolarHBondContact O-N 3.4Å; L159-M163 HydrophobicContact CD1-CE 3.98Å; L159-M163 HydrophobicContact CD1-CG 4.23Å; L159-M163 WeakPolarHBondContact O-CB 3.32Å; L159-M163 WeakPolarHBondContact O-CG 3.25Å; L159-M163 PolarHBondContact O-N 3.3Å; L159-V175 HydrophobicContact CD2-CG1 4.39Å; L159-M178 HydrophobicContact CD1-CE 4.41Å; L159-M178 HydrophobicContact CD2-CB 3.98Å; L159-M178 HydrophobicContact CD2-CE 4.37Å; L159-I179 HydrophobicContact CD2-CG1 4.08Å; L159-I190 HydrophobicContact CD2-CD1 4.34Å
160	R	83.2	Confident	77.9	Confident	125 Å²	125	65.8 Å²	65.8	47%	0.472	35%	0.353	S	S	.	.	H	α-helix	trans	-60.9	-44.5	177	-172.2	-179	177.6	-153.1	-3	112	P156 E158 V162 M163 L164 V175	P156-R160 VanDerWaalsContact O-CB 3.31Å; P156-R160 WeakPolarHBondContact O-CB 3.43Å; P156-R160 PolarHBondContact O-N 2.75Å; E158-R160 VanDerWaalsContact C-N 3.31Å; E158-R160 PolarHBondContact O-N 3.14Å; R160-V162 VanDerWaalsContact C-N 3.32Å; R160-V162 PolarHBondContact O-N 3.2Å; R160-M163 PolarHBondContact O-N 3.15Å; R160-L164 HydrophobicContact CG-CD1 4.17Å; R160-L164 HydrophobicContact CG-CG 4.49Å; R160-L164 WeakPolarHBondContact O-CB 3.37Å; R160-L164 VanDerWaalsContact O-CG 3.23Å; R160-L164 WeakPolarHBondContact O-CG 3.47Å; R160-L164 PolarHBondContact O-N 2.97Å; R160-V175 HydrophobicContact CB-CG2 4.07Å; R160-V175 HydrophobicContact CG-CG2 4.37Å
161	S	81	Confident	78.3	Confident	38 Å²	38	61 Å²	61	27%	0.266	34%	0.338	S	S	.	.	H	α-helix	trans	-64.6	-37.5	-178.6	-176.6	0	0	0	0	112.3	Q148 N157 E158 L159 N165	Q148-S161 PolarHBondContact NE2-OG 3.01Å; N157-S161 WeakPolarHBondContact O-CB 3.34Å; N157-S161 PolarHBondContact O-N 2.85Å; E158-S161 PolarHBondContact O-N 3.08Å; E158-S161 VanDerWaalsContact O-N 3.14Å; L159-S161 PolarHBondContact O-N 3.02Å; S161-N165 PolarHBondContact O-N 2.9Å; S161-N165 VanDerWaalsContact O-N 3.14Å
162	V	77.9	Confident	78.5	Confident	7 Å²	7	60.3 Å²	60.3	4%	0.042	34%	0.344	C	S	.	.	H	α-helix	trans	-74.2	-40.5	179.3	175.2	0	0	0	0	110.8	V145 F146 E158 L159 R160 L164 N165 L166	V145-V162 HydrophobicContact CG1-CG1 4.1Å; V145-V162 WeakPolarHBondContact O-CG2 3.36Å; F146-V162 HydrophobicContact CB-CG2 4.46Å; F146-V162 HydrophobicContact CD1-CB 3.54Å; F146-V162 HydrophobicContact CD1-CG1 3.55Å; F146-V162 HydrophobicContact CD1-CG2 3.89Å; F146-V162 HydrophobicContact CD2-CG1 4.4Å; F146-V162 HydrophobicContact CE1-CB 3.61Å; F146-V162 HydrophobicContact CE1-CG1 3.32Å; F146-V162 HydrophobicContact CE1-CG2 4.45Å; F146-V162 HydrophobicContact CE2-CG1 4.22Å; F146-V162 HydrophobicContact CG-CB 4.34Å; F146-V162 HydrophobicContact CG-CG1 4.09Å; F146-V162 HydrophobicContact CG-CG2 4.35Å; F146-V162 HydrophobicContact CZ-CB 4.46Å; F146-V162 HydrophobicContact CZ-CG1 3.69Å; E158-V162 VanDerWaalsContact O-CG2 3.25Å; E158-V162 WeakPolarHBondContact O-CG2 3.11Å; E158-V162 PolarHBondContact O-N 3.1Å; L159-V162 PolarHBondContact O-N 3.4Å; R160-V162 VanDerWaalsContact C-N 3.32Å; R160-V162 PolarHBondContact O-N 3.2Å; V162-L164 VanDerWaalsContact C-N 3.34Å; V162-L164 PolarHBondContact O-N 3.33Å; V162-N165 CarbonylContact O-C 3.54Å; V162-N165 WeakPolarHBondContact O-CB 3.46Å; V162-N165 PolarHBondContact O-N 2.83Å; V162-N165 VanDerWaalsContact O-N 3.1Å; V162-L166 HydrophobicContact CG1-CD1 4.11Å; V162-L166 WeakPolarHBondContact O-CG 3.21Å; V162-L166 PolarHBondContact O-N 2.65Å
163	M	76.5	Confident	79	Confident	6 Å²	6	66.7 Å²	66.7	3%	0.03	37%	0.369	C	S	.	.	H	α-helix	trans	-63.1	-41.4	175.3	-68	-69.8	176.8	0	0	111.5	F146 L159 R160 N165 L166 G167 E168 L170 M178	F146-M163 HydrophobicContact CE1-CE 3.85Å; F146-M163 HydrophobicContact CZ-CE 3.8Å; L159-M163 HydrophobicContact CD1-CE 3.98Å; L159-M163 HydrophobicContact CD1-CG 4.23Å; L159-M163 WeakPolarHBondContact O-CB 3.32Å; L159-M163 WeakPolarHBondContact O-CG 3.25Å; L159-M163 PolarHBondContact O-N 3.3Å; R160-M163 PolarHBondContact O-N 3.15Å; M163-N165 VanDerWaalsContact C-N 3.29Å; M163-N165 PolarHBondContact O-N 3.38Å; M163-L166 CarbonylContact O-C 3.58Å; M163-L166 WeakPolarHBondContact O-CA 3.25Å; M163-L166 WeakPolarHBondContact O-CB 3.37Å; M163-L166 PolarHBondContact O-N 3.14Å; M163-L166 HydrophobicContact SD-CD1 4.13Å; M163-G167 PolarHBondContact O-N 2.89Å; M163-G167 VanDerWaalsContact O-N 3.12Å; M163-E168 CarbonylContact C-O 3.55Å; M163-E168 WeakPolarHBondContact CB-O 3.33Å; M163-E168 CarbonylContact O-C 3.57Å; M163-E168 PolarHBondContact O-N 3.1Å; M163-L170 HydrophobicContact CB-CD1 3.91Å; M163-L170 HydrophobicContact CB-CG 4.04Å; M163-L170 HydrophobicContact CG-CD1 3.56Å; M163-L170 HydrophobicContact CG-CG 4.18Å; M163-L170 HydrophobicContact SD-CD1 4.42Å; M163-M178 HydrophobicContact CE-CE 4.15Å
164	L	79.1	Confident	79.2	Confident	71 Å²	71	68.1 Å²	68.1	37%	0.372	38%	0.377	S	S	.	.	H	α-helix	trans	-58.7	-39.8	171.6	-74.8	173.3	0	0	0	112.5	R160 V162 L166 G167 E168 E169	R160-L164 HydrophobicContact CG-CD1 4.17Å; R160-L164 HydrophobicContact CG-CG 4.49Å; R160-L164 WeakPolarHBondContact O-CB 3.37Å; R160-L164 VanDerWaalsContact O-CG 3.23Å; R160-L164 WeakPolarHBondContact O-CG 3.47Å; R160-L164 PolarHBondContact O-N 2.97Å; V162-L164 VanDerWaalsContact C-N 3.34Å; V162-L164 PolarHBondContact O-N 3.33Å; L164-L166 VanDerWaalsContact C-N 3.32Å; L164-G167 PolarHBondContact O-N 3.01Å; L164-E168 PolarHBondContact N-O 3.05Å; L164-E169 HydrophobicContact CD2-CB 4.12Å; L164-E169 HydrophobicContact CD2-CG 3.7Å
165	N	72	Confident	79.4	Confident	134 Å²	134	68.4 Å²	68.4	72%	0.717	38%	0.378	S	S	*	.	H	α-helix	trans	-70.5	-26.8	175.7	-76.6	-7.6	0	0	0	113.3	S161 V162 M163	S161-N165 PolarHBondContact O-N 2.9Å; S161-N165 VanDerWaalsContact O-N 3.14Å; V162-N165 CarbonylContact O-C 3.54Å; V162-N165 WeakPolarHBondContact O-CB 3.46Å; V162-N165 PolarHBondContact O-N 2.83Å; V162-N165 VanDerWaalsContact O-N 3.1Å; M163-N165 VanDerWaalsContact C-N 3.29Å; M163-N165 PolarHBondContact O-N 3.38Å
166	L	68.2	Low	79.3	Confident	120 Å²	120	71.5 Å²	71.5	63%	0.628	40%	0.396	S	S	*	.	H	α-helix	trans	-79.3	-8.2	173.8	-69.1	169	0	0	0	112.7	V162 M163 L164	V162-L166 HydrophobicContact CG1-CD1 4.11Å; V162-L166 WeakPolarHBondContact O-CG 3.21Å; V162-L166 PolarHBondContact O-N 2.65Å; M163-L166 CarbonylContact O-C 3.58Å; M163-L166 WeakPolarHBondContact O-CA 3.25Å; M163-L166 WeakPolarHBondContact O-CB 3.37Å; M163-L166 PolarHBondContact O-N 3.14Å; M163-L166 HydrophobicContact SD-CD1 4.13Å; L164-L166 VanDerWaalsContact C-N 3.32Å
167	G	74.4	Confident	79.2	Confident	66 Å²	66	73.3 Å²	73.3	68%	0.68	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	91	6.6	-178.5	0	0	0	0	0	114.2	M163 L164	M163-G167 PolarHBondContact O-N 2.89Å; M163-G167 VanDerWaalsContact O-N 3.12Å; L164-G167 PolarHBondContact O-N 3.01Å
168	E	70.8	Confident	78.7	Confident	101 Å²	101	68.6 Å²	68.6	47%	0.472	38%	0.381	S	S	.	.			trans	-102.8	114.3	175.5	-70.6	-166.8	165.2	0	0	110.8	M163 L164 L170	M163-E168 CarbonylContact C-O 3.55Å; M163-E168 WeakPolarHBondContact CB-O 3.33Å; M163-E168 CarbonylContact O-C 3.57Å; M163-E168 PolarHBondContact O-N 3.1Å; L164-E168 PolarHBondContact N-O 3.05Å; E168-L170 PolarHBondContact O-N 3.48Å
169	E	74.8	Confident	78.5	Confident	172 Å²	172	68.5 Å²	68.5	80%	0.804	38%	0.381	S	S	*	.			trans	-86	99.5	173.5	-55.9	-161.5	106.2	0	0	109.9	L164	L164-E169 HydrophobicContact CD2-CB 4.12Å; L164-E169 HydrophobicContact CD2-CG 3.7Å
170	L	74.9	Confident	78.3	Confident	30 Å²	30	72.3 Å²	72.3	16%	0.157	41%	0.408	C	S	.	.			trans	-79.2	135.1	170.9	-63.3	179.4	0	0	0	111	M163 E168 D174 V175 M178	M163-L170 HydrophobicContact CB-CD1 3.91Å; M163-L170 HydrophobicContact CB-CG 4.04Å; M163-L170 HydrophobicContact CG-CD1 3.56Å; M163-L170 HydrophobicContact CG-CG 4.18Å; M163-L170 HydrophobicContact SD-CD1 4.42Å; E168-L170 PolarHBondContact O-N 3.48Å; L170-D174 HydrophobicContact CB-CB 4.29Å; L170-D174 HydrophobicContact CD2-CB 4.2Å; L170-V175 HydrophobicContact CB-CG2 3.65Å; L170-V175 HydrophobicContact CD1-CG2 4.09Å; L170-M178 HydrophobicContact CD1-CE 4.07Å; L170-M178 HydrophobicContact CD1-SD 3.42Å; L170-M178 WeakPolarHBondContact CD1-SD 3.4Å; L170-M178 HydrophobicContact CD2-SD 4.19Å; L170-M178 HydrophobicContact CG-SD 4.45Å
171	S	81.6	Confident	77.8	Confident	51 Å²	51	68 Å²	68	36%	0.357	40%	0.399	S	S	.	.			trans	-69.6	159.5	169.5	77.5	0	0	0	0	110.4	E173 D174 V175	S171-E173 PolarHBondContact O-N 2.93Å; S171-E173 PolarHBondContact OG-N 3.45Å; S171-D174 VanDerWaalsContact CB-OD2 3.3Å; S171-D174 WeakPolarHBondContact CB-OD2 3.45Å; S171-D174 PolarHBondContact N-OD2 3.4Å; S171-D174 PolarHBondContact O-N 3.14Å; S171-D174 VanDerWaalsContact O-N 3.14Å; S171-D174 PolarHBondContact OG-N 3.03Å; S171-D174 VanDerWaalsContact OG-N 3.14Å; S171-D174 PolarHBondContact OG-OD2 2.69Å; S171-V175 WeakPolarHBondContact O-CG2 3.49Å; S171-V175 PolarHBondContact O-N 2.75Å
172	A	82.6	Confident	77.4	Confident	72 Å²	72	66.2 Å²	66.2	60%	0.595	39%	0.386	S	S	*	.	H	α-helix	trans	-59	-30	175.8	0	0	0	0	0	112.2	T176	A172-T176 WeakPolarHBondContact O-CB 3.48Å; A172-T176 PolarHBondContact O-N 2.79Å; A172-T176 PolarHBondContact O-OG1 2.71Å
173	E	83.3	Confident	77.4	Confident	155 Å²	155	67.1 Å²	67.1	72%	0.724	39%	0.391	S	S	*	.	H	α-helix	trans	-69.7	-43.3	176.4	-62.3	-178.8	-173.6	0	0	111.2	S171 T176 T177	S171-E173 PolarHBondContact O-N 2.93Å; S171-E173 PolarHBondContact OG-N 3.45Å; E173-T176 PolarHBondContact O-N 3.08Å; E173-T177 WeakPolarHBondContact O-CB 3.09Å; E173-T177 PolarHBondContact O-N 2.94Å; E173-T177 PolarHBondContact O-OG1 2.93Å
174	D	83.2	Confident	77.1	Confident	76 Å²	76	71.1 Å²	71.1	41%	0.406	42%	0.419	S	S	.	.	H	α-helix	trans	-64.4	-45.9	177.1	-60.2	-46.5	0	0	0	111	L170 S171 T176 T177 M178	L170-D174 HydrophobicContact CB-CB 4.29Å; L170-D174 HydrophobicContact CD2-CB 4.2Å; S171-D174 VanDerWaalsContact CB-OD2 3.3Å; S171-D174 WeakPolarHBondContact CB-OD2 3.45Å; S171-D174 PolarHBondContact N-OD2 3.4Å; S171-D174 PolarHBondContact O-N 3.14Å; S171-D174 VanDerWaalsContact O-N 3.14Å; S171-D174 PolarHBondContact OG-N 3.03Å; S171-D174 VanDerWaalsContact OG-N 3.14Å; S171-D174 PolarHBondContact OG-OD2 2.69Å; D174-T176 VanDerWaalsContact C-N 3.32Å; D174-T176 PolarHBondContact O-N 3.24Å; D174-T177 WeakPolarHBondContact O-CB 3.38Å; D174-T177 PolarHBondContact O-N 3.13Å; D174-T177 VanDerWaalsContact O-N 3.13Å; D174-M178 WeakPolarHBondContact O-CB 3.41Å; D174-M178 VanDerWaalsContact O-CG 3.27Å; D174-M178 WeakPolarHBondContact O-CG 3.44Å; D174-M178 PolarHBondContact O-N 3.41Å
175	V	82.6	Confident	76.8	Confident	5 Å²	5	72 Å²	72	3%	0.03	43%	0.425	C	S	.	.	H	α-helix	trans	-57.5	-46.6	176.2	172.3	0	0	0	0	110.6	P156 L159 R160 L170 S171 T177 M178 I179	P156-V175 HydrophobicContact CB-CG1 3.84Å; P156-V175 WeakPolarHBondContact O-CG1 3.46Å; L159-V175 HydrophobicContact CD2-CG1 4.39Å; R160-V175 HydrophobicContact CB-CG2 4.07Å; R160-V175 HydrophobicContact CG-CG2 4.37Å; L170-V175 HydrophobicContact CB-CG2 3.65Å; L170-V175 HydrophobicContact CD1-CG2 4.09Å; S171-V175 WeakPolarHBondContact O-CG2 3.49Å; S171-V175 PolarHBondContact O-N 2.75Å; V175-T177 VanDerWaalsContact C-N 3.31Å; V175-T177 PolarHBondContact O-N 3.12Å; V175-M178 PolarHBondContact O-N 3.33Å; V175-I179 HydrophobicContact CG1-CD1 3.72Å; V175-I179 WeakPolarHBondContact O-CB 3.11Å; V175-I179 WeakPolarHBondContact O-CD1 3.43Å; V175-I179 VanDerWaalsContact O-CG1 3.22Å; V175-I179 WeakPolarHBondContact O-CG1 3.47Å; V175-I179 PolarHBondContact O-N 3.42Å
176	T	82.5	Confident	77	Confident	89 Å²	89	68.7 Å²	68.7	55%	0.546	42%	0.421	S	S	.	.	H	α-helix	trans	-64.1	-38.8	178.2	-55.5	0	0	0	0	111.5	A172 E173 D174 S180	A172-T176 WeakPolarHBondContact O-CB 3.48Å; A172-T176 PolarHBondContact O-N 2.79Å; A172-T176 PolarHBondContact O-OG1 2.71Å; E173-T176 PolarHBondContact O-N 3.08Å; D174-T176 VanDerWaalsContact C-N 3.32Å; D174-T176 PolarHBondContact O-N 3.24Å; T176-S180 VanDerWaalsContact O-CB 3.3Å; T176-S180 WeakPolarHBondContact O-CB 3.46Å; T176-S180 PolarHBondContact O-N 3.04Å; T176-S180 PolarHBondContact O-OG 3.31Å
177	T	81.2	Confident	77.5	Confident	87 Å²	87	66.5 Å²	66.5	53%	0.534	41%	0.411	S	S	.	.	H	α-helix	trans	-66.1	-42.1	177.2	-57.8	0	0	0	0	111.2	E173 D174 V175 S180 A181	E173-T177 WeakPolarHBondContact O-CB 3.09Å; E173-T177 PolarHBondContact O-N 2.94Å; E173-T177 PolarHBondContact O-OG1 2.93Å; D174-T177 WeakPolarHBondContact O-CB 3.38Å; D174-T177 PolarHBondContact O-N 3.13Å; D174-T177 VanDerWaalsContact O-N 3.13Å; V175-T177 VanDerWaalsContact C-N 3.31Å; V175-T177 PolarHBondContact O-N 3.12Å; T177-S180 WeakPolarHBondContact CA-OG 3.22Å; T177-S180 PolarHBondContact O-OG 3.18Å; T177-S180 VanDerWaalsContact O-OG 3.06Å; T177-A181 WeakPolarHBondContact O-CB 3.49Å; T177-A181 PolarHBondContact O-N 3.06Å; T177-A181 VanDerWaalsContact O-N 3.07Å
178	M	76.8	Confident	77.6	Confident	24 Å²	24	64.8 Å²	64.8	12%	0.118	39%	0.392	C	S	.	.	H	α-helix	trans	-66.8	-42.4	177.7	-70.6	172	74.5	0	0	111.9	L159 M163 L170 D174 V175 A181 A182 I198	L159-M178 HydrophobicContact CD1-CE 4.41Å; L159-M178 HydrophobicContact CD2-CB 3.98Å; L159-M178 HydrophobicContact CD2-CE 4.37Å; M163-M178 HydrophobicContact CE-CE 4.15Å; L170-M178 HydrophobicContact CD1-CE 4.07Å; L170-M178 HydrophobicContact CD1-SD 3.42Å; L170-M178 WeakPolarHBondContact CD1-SD 3.4Å; L170-M178 HydrophobicContact CD2-SD 4.19Å; L170-M178 HydrophobicContact CG-SD 4.45Å; D174-M178 WeakPolarHBondContact O-CB 3.41Å; D174-M178 VanDerWaalsContact O-CG 3.27Å; D174-M178 WeakPolarHBondContact O-CG 3.44Å; D174-M178 PolarHBondContact O-N 3.41Å; V175-M178 PolarHBondContact O-N 3.33Å; M178-A181 PolarHBondContact O-N 3.38Å; M178-A182 WeakPolarHBondContact O-CB 3.31Å; M178-A182 PolarHBondContact O-N 3Å; M178-A182 VanDerWaalsContact O-N 3.13Å; M178-I198 HydrophobicContact CE-CG2 3.4Å
179	I	79.3	Confident	78	Confident	10 Å²	10	62.1 Å²	62.1	5%	0.051	38%	0.381	C	S	.	.	H	α-helix	trans	-66.1	-50.8	176.8	-67.4	165.6	0	0	0	110.3	P156 L159 V175 A181 A182 D183 G188 I190	P156-I179 HydrophobicContact CB-CD1 3.27Å; P156-I179 HydrophobicContact CG-CD1 3.38Å; L159-I179 HydrophobicContact CD2-CG1 4.08Å; V175-I179 HydrophobicContact CG1-CD1 3.72Å; V175-I179 WeakPolarHBondContact O-CB 3.11Å; V175-I179 WeakPolarHBondContact O-CD1 3.43Å; V175-I179 VanDerWaalsContact O-CG1 3.22Å; V175-I179 WeakPolarHBondContact O-CG1 3.47Å; V175-I179 PolarHBondContact O-N 3.42Å; I179-A181 PolarHBondContact O-N 3.3Å; I179-A181 VanDerWaalsContact O-N 3.12Å; I179-A182 CarbonylContact O-C 2.97Å; I179-A182 PolarHBondContact O-N 3.43Å; I179-D183 HydrophobicContact CG2-CB 4.22Å; I179-D183 WeakPolarHBondContact O-CB 3.48Å; I179-D183 PolarHBondContact O-N 3.47Å; I179-G188 WeakPolarHBondContact CG2-O 3.3Å; I179-I190 HydrophobicContact CG1-CD1 3.94Å; I179-I190 HydrophobicContact CG1-CG1 4.23Å; I179-I190 HydrophobicContact CG2-CG1 4.37Å
180	S	78.6	Confident	78	Confident	80 Å²	80	53.9 Å²	53.9	56%	0.559	34%	0.343	S	S	*	.	H	α-helix	trans	-62	-23.7	-179.9	60	0	0	0	0	113.4	T176 T177	T176-S180 VanDerWaalsContact O-CB 3.3Å; T176-S180 WeakPolarHBondContact O-CB 3.46Å; T176-S180 PolarHBondContact O-N 3.04Å; T176-S180 PolarHBondContact O-OG 3.31Å; T177-S180 WeakPolarHBondContact CA-OG 3.22Å; T177-S180 PolarHBondContact O-OG 3.18Å; T177-S180 VanDerWaalsContact O-OG 3.06Å
181	A	73.3	Confident	77.8	Confident	34 Å²	34	54.2 Å²	54.2	28%	0.281	35%	0.345	S	S	.	.	H	α-helix	trans	-75	-37.9	171.9	0	0	0	0	0	112.3	T177 M178 I179 L197	T177-A181 WeakPolarHBondContact O-CB 3.49Å; T177-A181 PolarHBondContact O-N 3.06Å; T177-A181 VanDerWaalsContact O-N 3.07Å; M178-A181 PolarHBondContact O-N 3.38Å; I179-A181 PolarHBondContact O-N 3.3Å; I179-A181 VanDerWaalsContact O-N 3.12Å; A181-L197 HydrophobicContact CB-CD2 3.87Å; A181-L197 WeakPolarHBondContact O-CD2 3.48Å
182	A	71	Confident	77	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-90.1	-27.4	-176.1	0	0	0	0	0	114	M178 I179 S184 I190 G194 I198	M178-A182 WeakPolarHBondContact O-CB 3.31Å; M178-A182 PolarHBondContact O-N 3Å; M178-A182 VanDerWaalsContact O-N 3.13Å; I179-A182 CarbonylContact O-C 2.97Å; I179-A182 PolarHBondContact O-N 3.43Å; A182-S184 PolarHBondContact O-N 3.38Å; A182-I190 HydrophobicContact CB-CB 4.4Å; A182-I190 HydrophobicContact CB-CD1 3.87Å; A182-I190 HydrophobicContact CB-CG1 3.97Å; A182-I190 HydrophobicContact CB-CG2 3.65Å; A182-G194 WeakPolarHBondContact CB-O 3.1Å; A182-G194 WeakPolarHBondContact O-CA 3.46Å; A182-I198 HydrophobicContact CB-CD1 4.34Å; A182-I198 HydrophobicContact CB-CG1 3.62Å
183	D	78.5	Confident	76.1	Confident	26 Å²	26	60.4 Å²	60.4	14%	0.139	35%	0.354	C	S	.	.			trans	-72.1	94.4	-178.8	177.6	12.6	0	0	0	110.2	I179 N185 G186 D187 G188	I179-D183 HydrophobicContact CG2-CB 4.22Å; I179-D183 WeakPolarHBondContact O-CB 3.48Å; I179-D183 PolarHBondContact O-N 3.47Å; D183-N185 VanDerWaalsContact C-N 3.33Å; D183-N185 PolarHBondContact OD1-N 2.84Å; D183-N185 VanDerWaalsContact OD1-N 3.17Å; D183-N185 PolarHBondContact OD1-OD1 3.34Å; D183-N185 VanDerWaalsContact OD1-OD1 3.1Å; D183-G186 VanDerWaalsContact CG-N 3.32Å; D183-G186 WeakPolarHBondContact OD1-CA 3.19Å; D183-G186 PolarHBondContact OD1-N 2.92Å; D183-G186 WeakPolarHBondContact OD2-CA 3.43Å; D183-G186 PolarHBondContact OD2-N 3.29Å; D183-D187 PolarHBondContact OD1-N 2.92Å; D183-D187 PolarHBondContact OD2-N 3.23Å; D183-D187 VanDerWaalsContact OD2-N 3.08Å; D183-G188 WeakPolarHBondContact OD2-CA 3.4Å; D183-G188 PolarHBondContact OD2-N 3.06Å
184	S	69.3	Low	74.8	Confident	91 Å²	91	53.1 Å²	53.1	64%	0.636	32%	0.32	S	S	*	.	S	Bend	trans	-80.4	-15.4	179.5	-63.7	0	0	0	0	113.1	A182	A182-S184 PolarHBondContact O-N 3.38Å
185	N	74.3	Confident	73.5	Confident	90 Å²	90	49.5 Å²	49.5	48%	0.481	30%	0.301	S	S	.	.	S	Bend	trans	-110.2	-4.3	-175.3	54.8	-48.9	0	0	0	113.9	D183 D187 N191	D183-N185 VanDerWaalsContact C-N 3.33Å; D183-N185 PolarHBondContact OD1-N 2.84Å; D183-N185 VanDerWaalsContact OD1-N 3.17Å; D183-N185 PolarHBondContact OD1-OD1 3.34Å; D183-N185 VanDerWaalsContact OD1-OD1 3.1Å; N185-D187 VanDerWaalsContact C-N 3.32Å; N185-D187 PolarHBondContact ND2-OD2 3.07Å; N185-N191 PolarHBondContact OD1-ND2 3.32Å; N185-N191 VanDerWaalsContact OD1-ND2 3.08Å
186	G	75.9	Confident	72.3	Confident	63 Å²	63	54.4 Å²	54.4	65%	0.649	33%	0.326	S	S	*	.	S	Bend	trans	71.6	21.2	176.2	0	0	0	0	0	114.1	D183	D183-G186 VanDerWaalsContact CG-N 3.32Å; D183-G186 WeakPolarHBondContact OD1-CA 3.19Å; D183-G186 PolarHBondContact OD1-N 2.92Å; D183-G186 WeakPolarHBondContact OD2-CA 3.43Å; D183-G186 PolarHBondContact OD2-N 3.29Å
187	D	77.5	Confident	71.1	Confident	75 Å²	75	53.8 Å²	53.8	40%	0.401	32%	0.319	S	S	.	.	S	Bend	trans	-90.1	-2.7	-179.5	70.3	-1.8	0	0	0	113.5	D183 N185 L189	D183-D187 PolarHBondContact OD1-N 2.92Å; D183-D187 PolarHBondContact OD2-N 3.23Å; D183-D187 VanDerWaalsContact OD2-N 3.08Å; N185-D187 VanDerWaalsContact C-N 3.32Å; N185-D187 PolarHBondContact ND2-OD2 3.07Å; D187-L189 WeakPolarHBondContact OD1-CA 3.48Å; D187-L189 WeakPolarHBondContact OD1-CB 3.23Å; D187-L189 PolarHBondContact OD1-N 3.12Å; D187-L189 VanDerWaalsContact OD1-O 3.09Å
188	G	76.6	Confident	70.1	Confident	29 Å²	29	50 Å²	50	30%	0.299	30%	0.295	S	S	.	.	S	Bend	trans	75.1	12.9	-176.6	0	0	0	0	0	113.8	I179 D183	I179-G188 WeakPolarHBondContact CG2-O 3.3Å; D183-G188 WeakPolarHBondContact OD2-CA 3.4Å; D183-G188 PolarHBondContact OD2-N 3.06Å
189	L	79.4	Confident	69.3	Low	45 Å²	45	53 Å²	53	24%	0.236	31%	0.308	C	S	.	.	S	Bend	trans	-122.6	152.9	178.1	-56.8	174.3	0	0	0	109.5	L153 D187	L153-L189 HydrophobicContact CB-CB 4.22Å; L153-L189 HydrophobicContact CB-CD1 4.36Å; L153-L189 HydrophobicContact CD1-CD1 3.71Å; D187-L189 WeakPolarHBondContact OD1-CA 3.48Å; D187-L189 WeakPolarHBondContact OD1-CB 3.23Å; D187-L189 PolarHBondContact OD1-N 3.12Å; D187-L189 VanDerWaalsContact OD1-O 3.09Å
190	I	75.5	Confident	68.1	Low	0 Å²	0	56.7 Å²	56.7	0%	0	33%	0.334	C	S	.	.	B	Isolated β-bridge	trans	-102.1	117.5	179.2	-47.3	176.1	0	0	0	109.2	L153 I154 L159 I179 A182 N195 I198	L153-I190 CarbonylContact C-O 3.57Å; L153-I190 WeakPolarHBondContact CA-O 3.34Å; I154-I190 HydrophobicContact CB-CB 4.17Å; I154-I190 PolarHBondContact N-O 2.87Å; I154-I190 PolarHBondContact O-N 2.87Å; L159-I190 HydrophobicContact CD2-CD1 4.34Å; I179-I190 HydrophobicContact CG1-CD1 3.94Å; I179-I190 HydrophobicContact CG1-CG1 4.23Å; I179-I190 HydrophobicContact CG2-CG1 4.37Å; A182-I190 HydrophobicContact CB-CB 4.4Å; A182-I190 HydrophobicContact CB-CD1 3.87Å; A182-I190 HydrophobicContact CB-CG1 3.97Å; A182-I190 HydrophobicContact CB-CG2 3.65Å; I190-N195 WeakPolarHBondContact CG2-OD1 3.27Å; I190-I198 HydrophobicContact CD1-CD1 3.24Å; I190-I198 HydrophobicContact CD1-CG1 3.93Å; I190-I198 HydrophobicContact CG1-CD1 4.44Å; I190-I198 HydrophobicContact CG2-CD1 4.12Å
191	N	71.5	Confident	66.9	Low	36 Å²	36	59.5 Å²	59.5	19%	0.193	34%	0.337	C	S	.	.			trans	-91.8	171.7	174.2	64.7	35	0	0	0	111.6	F143 L153 N185 E193 G194	F143-N191 VanDerWaalsContact CZ-O 3.23Å; F143-N191 WeakPolarHBondContact CZ-O 3.48Å; L153-N191 HydrophobicContact CD2-CB 3.82Å; N185-N191 PolarHBondContact OD1-ND2 3.32Å; N185-N191 VanDerWaalsContact OD1-ND2 3.08Å; N191-E193 PolarHBondContact O-N 3.44Å; N191-E193 WeakPolarHBondContact OD1-CB 3.39Å; N191-E193 PolarHBondContact OD1-N 2.82Å; N191-E193 VanDerWaalsContact OD1-N 3.11Å; N191-G194 PolarHBondContact O-N 2.88Å; N191-G194 PolarHBondContact OD1-N 2.71Å; N191-G194 VanDerWaalsContact OD1-N 3.16Å
192	F	64.8	Low	65.8	Low	97 Å²	97	60.6 Å²	60.6	43%	0.425	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.8	-32.4	180	-78.9	-88.4	0	0	0	115.8	A140 F143	A140-F192 HydrophobicContact CB-CE1 4.37Å; F143-F192 HydrophobicContact CB-CE1 3.84Å; F143-F192 HydrophobicContact CB-CZ 3.98Å; F143-F192 HydrophobicContact CD1-CE1 4.38Å; F143-F192 HydrophobicContact CD1-CZ 4.33Å; F143-F192 AromaticContact CD2-CD1 3.3Å; F143-F192 HydrophobicContact CD2-CD1 3.3Å; F143-F192 AromaticContact CD2-CE1 3.33Å; F143-F192 HydrophobicContact CD2-CE1 3.33Å; F143-F192 HydrophobicContact CD2-CG 4.04Å; F143-F192 HydrophobicContact CD2-CZ 4.07Å; F143-F192 HydrophobicContact CE2-CB 4.11Å; F143-F192 AromaticContact CE2-CD1 3.47Å; F143-F192 HydrophobicContact CE2-CD1 3.47Å; F143-F192 VanDerWaalsContact CE2-CD1 3.47Å; F143-F192 AromaticContact CE2-CE1 3.99Å; F143-F192 HydrophobicContact CE2-CE1 3.99Å; F143-F192 AromaticContact CE2-CG 3.84Å; F143-F192 HydrophobicContact CE2-CG 3.84Å; F143-F192 AromaticContact CG-CD1 3.94Å; F143-F192 HydrophobicContact CG-CD1 3.94Å; F143-F192 AromaticContact CG-CE1 3.59Å; F143-F192 HydrophobicContact CG-CE1 3.59Å; F143-F192 HydrophobicContact CG-CE2 4.45Å; F143-F192 AromaticContact CG-CZ 3.87Å; F143-F192 HydrophobicContact CG-CZ 3.87Å; F143-F192 HydrophobicContact CZ-CB 4.34Å; F143-F192 HydrophobicContact CZ-CD1 4.24Å; F143-F192 HydrophobicContact CZ-CG 4.18Å
193	E	62	Low	64.4	Low	157 Å²	157	65.6 Å²	65.6	73%	0.734	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-31.9	179.4	-153.2	72.6	-165	0	0	112.2	N191	N191-E193 PolarHBondContact O-N 3.44Å; N191-E193 WeakPolarHBondContact OD1-CB 3.39Å; N191-E193 PolarHBondContact OD1-N 2.82Å; N191-E193 VanDerWaalsContact OD1-N 3.11Å
194	G	57	Low	62.6	Low	1 Å²	1	72.8 Å²	72.8	1%	0.01	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-22.7	-176.4	0	0	0	0	0	115	A182 N191 I196 L197	A182-G194 WeakPolarHBondContact CB-O 3.1Å; A182-G194 WeakPolarHBondContact O-CA 3.46Å; N191-G194 PolarHBondContact O-N 2.88Å; N191-G194 PolarHBondContact OD1-N 2.71Å; N191-G194 VanDerWaalsContact OD1-N 3.16Å; G194-I196 VanDerWaalsContact C-N 3.28Å; G194-I196 PolarHBondContact O-N 3.13Å; G194-L197 WeakPolarHBondContact O-CB 3.37Å; G194-L197 PolarHBondContact O-N 3.39Å
195	N	56.9	Low	60.9	Low	0 Å²	0	78.8 Å²	78.8	0%	0	43%	0.433	C	S	.	.	H	α-helix	trans	-63.1	-30.1	-172	-101.6	21.5	0	0	0	114.6	L139 F143 I154 I190 L197 I198 F199	L139-N195 HydrophobicContact CD2-CB 4.06Å; F143-N195 HydrophobicContact CD2-CB 4.38Å; F143-N195 WeakPolarHBondContact CD2-ND2 2.84Å; F143-N195 HydrophobicContact CE2-CB 3.39Å; F143-N195 WeakPolarHBondContact CE2-ND2 3.14Å; F143-N195 HydrophobicContact CZ-CB 3.56Å; F143-N195 WeakPolarHBondContact CZ-ND2 3.23Å; F143-N195 WeakPolarHBondContact CZ-OD1 3.41Å; I154-N195 WeakPolarHBondContact CD1-OD1 3.42Å; I190-N195 WeakPolarHBondContact CG2-OD1 3.27Å; N195-L197 PolarHBondContact O-N 2.99Å; N195-I198 PolarHBondContact O-N 3.35Å; N195-F199 WeakPolarHBondContact O-CD2 3.4Å
196	I	57.3	Low	60.2	Low	109 Å²	109	78.3 Å²	78.3	56%	0.559	43%	0.431	S	S	*	.	H	α-helix	trans	-60.9	-32	177.8	-61.6	-177.7	0	0	0	110.5	L139 G194 S200	L139-I196 HydrophobicContact CD1-CD1 4.47Å; L139-I196 HydrophobicContact CD1-CG1 4.26Å; L139-I196 HydrophobicContact CD2-CG1 4.42Å; G194-I196 VanDerWaalsContact C-N 3.28Å; G194-I196 PolarHBondContact O-N 3.13Å; I196-S200 PolarHBondContact O-N 3.05Å
197	L	56.8	Low	59.4	Low	76 Å²	76	79.1 Å²	79.1	40%	0.398	42%	0.419	S	S	.	.	H	α-helix	trans	-76	-34	-175.2	-131.1	139.7	0	0	0	112.4	A181 G194 N195 S200 K201	A181-L197 HydrophobicContact CB-CD2 3.87Å; A181-L197 WeakPolarHBondContact O-CD2 3.48Å; G194-L197 WeakPolarHBondContact O-CB 3.37Å; G194-L197 PolarHBondContact O-N 3.39Å; N195-L197 PolarHBondContact O-N 2.99Å; L197-S200 PolarHBondContact O-N 2.84Å; L197-S200 PolarHBondContact O-OG 2.77Å; L197-K201 PolarHBondContact O-N 3.2Å
198	I	60	Low	58.4	Low	6 Å²	6	79.3 Å²	79.3	3%	0.031	42%	0.42	C	S	.	.	H	α-helix	trans	-59.6	-53	177.1	-52.7	177.5	0	0	0	110.5	M178 A182 I190 N195 S200 K201 I202	M178-I198 HydrophobicContact CE-CG2 3.4Å; A182-I198 HydrophobicContact CB-CD1 4.34Å; A182-I198 HydrophobicContact CB-CG1 3.62Å; I190-I198 HydrophobicContact CD1-CD1 3.24Å; I190-I198 HydrophobicContact CD1-CG1 3.93Å; I190-I198 HydrophobicContact CG1-CD1 4.44Å; I190-I198 HydrophobicContact CG2-CD1 4.12Å; N195-I198 PolarHBondContact O-N 3.35Å; I198-S200 VanDerWaalsContact C-N 3.26Å; I198-S200 PolarHBondContact O-N 3.33Å; I198-K201 PolarHBondContact O-N 3.14Å; I198-I202 PolarHBondContact O-N 3.45Å
199	F	58.8	Low	57.3	Low	89 Å²	89	82.2 Å²	82.2	39%	0.39	43%	0.428	S	S	.	.	H	α-helix	trans	-64.3	-32.3	-177	-71.5	-79.5	0	0	0	112.5	I142 F146 N195 K201 I202	I142-F199 HydrophobicContact CD1-CE2 4.09Å; I142-F199 HydrophobicContact CD1-CZ 3.97Å; I142-F199 HydrophobicContact CG1-CZ 4.41Å; I142-F199 HydrophobicContact CG2-CE2 3.63Å; I142-F199 HydrophobicContact CG2-CZ 3.52Å; F146-F199 HydrophobicContact CE2-CZ 4.19Å; N195-F199 WeakPolarHBondContact O-CD2 3.4Å; F199-K201 PolarHBondContact O-N 3.14Å; F199-I202 HydrophobicContact CD1-CD1 4.21Å
200	S	54.4	Low	55.9	Low	86 Å²	86	84.6 Å²	84.6	60%	0.601	44%	0.44	S	S	*	.	H	α-helix	trans	-68.4	-20	176.2	78.2	0	0	0	0	113.8	I196 L197 I198	I196-S200 PolarHBondContact O-N 3.05Å; L197-S200 PolarHBondContact O-N 2.84Å; L197-S200 PolarHBondContact O-OG 2.77Å; I198-S200 VanDerWaalsContact C-N 3.26Å; I198-S200 PolarHBondContact O-N 3.33Å
201	K	53.6	Low	54.6	Low	139 Å²	139	90.2 Å²	90.2	60%	0.604	47%	0.469	S	S	*	.	H	α-helix	trans	-102.4	-5.9	-173.4	-148.3	73.8	177.9	-176.9	0	113.4	L197 I198 F199 P203	L197-K201 PolarHBondContact O-N 3.2Å; I198-K201 PolarHBondContact O-N 3.14Å; F199-K201 PolarHBondContact O-N 3.14Å; K201-P203 WeakPolarHBondContact O-CD 3.3Å
202	I	51.5	Low	53.4	Low	57 Å²	57	94.1 Å²	94.1	29%	0.292	49%	0.489	S	S	.	.	S	Bend	trans	-70.9	109.1	171.2	-57	172.2	0	0	0	106.7	I198 F199 N204	I198-I202 PolarHBondContact O-N 3.45Å; F199-I202 HydrophobicContact CD1-CD1 4.21Å; I202-N204 PolarHBondContact O-N 2.6Å
203	P	41.8	Very low	52.5	Low	105 Å²	105	93.8 Å²	93.8	68%	0.682	49%	0.493	S	S	*	.			trans	-66.1	119.6	173.9	28.2	-30.5	0	0	0	108	K201 N205	K201-P203 WeakPolarHBondContact O-CD 3.3Å; P203-N205 VanDerWaalsContact C-N 3.26Å; P203-N205 PolarHBondContact O-N 3.19Å
204	N	39.3	Very low	51.7	Low	177 Å²	177	88.6 Å²	88.6	95%	0.947	47%	0.473	S	S	*	.			trans	-59.4	93.4	164	-82	-38.1	0	0	0	107.6	I202	I202-N204 PolarHBondContact O-N 2.6Å
205	N	33.5	Very low	51.3	Low	218 Å²	218	96.5 Å²	96.5	100%	1.166	52%	0.515	S	S	*	.			trans	-103.1	0	172.7	-173	69.1	0	0	0	110.6	P203	P203-N205 VanDerWaalsContact C-N 3.26Å; P203-N205 PolarHBondContact O-N 3.19Å

Retrieved 205 of 205 residues in 464.8 ms (Link to these results)

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