A0A077Z9B7_TRITR Loading...

peptidyl-tRNA hydrolase

AlphaFold DB , UniProt , Accession A0A077Z9B7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 237 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	47.3	Very low	62.5	Low	246 Å²	246	166.4 Å²	166.4	100%	1.212	88%	0.877	S	S	*	*				0	90	0	-138.3	162.3	168.8	0	0	105.5
2	N	57.2	Low	62.3	Low	160 Å²	160	166.9 Å²	166.9	86%	0.856	87%	0.871	S	S	*	*	P	Polyproline II helix	trans	-90.6	133	178.6	-119.9	11.6	0	0	0	107.4
3	P	63.4	Low	61.2	Low	121 Å²	121	163.6 Å²	163.6	79%	0.786	87%	0.866	S	S	*	*	P	Polyproline II helix	trans	-74.7	131.2	174.9	25.2	-21.3	0	0	0	109.8
4	E	64.6	Low	60.2	Low	194 Å²	194	164.3 Å²	164.3	91%	0.907	87%	0.868	S	S	*	*	P	Polyproline II helix	trans	-67.2	132.3	174.5	-80.7	-180	137.1	0	0	111
5	E	69.5	Low	59	Low	183 Å²	183	164.9 Å²	164.9	86%	0.855	86%	0.864	S	S	*	*	P	Polyproline II helix	trans	-72.3	140.3	172.8	-120	172	179.7	0	0	111.1
6	P	69.3	Low	57.8	Low	124 Å²	124	162.3 Å²	162.3	81%	0.805	86%	0.86	S	S	*	*	P	Polyproline II helix	trans	-70.7	131.2	176.7	-9.4	24.8	0	0	0	111.5
7	K	67.1	Low	57	Low	208 Å²	208	157.1 Å²	157.1	90%	0.904	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-69.8	128.1	173.9	-72.3	178	177.4	175.9	0	111.4
8	E	62.3	Low	56	Low	185 Å²	185	155.9 Å²	155.9	86%	0.864	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-65.1	142.9	169.9	-75.4	-175.7	157.5	0	0	111.9
9	P	68	Low	54.9	Low	115 Å²	115	154.5 Å²	154.5	75%	0.747	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-71.3	152.2	172.9	29.8	-32.9	0	0	0	111.9
10	P	62.8	Low	54.1	Low	123 Å²	123	150.8 Å²	150.8	80%	0.799	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-68.9	141.9	-174.3	27	-33	0	0	0	113	E12	P10-E12 PolarHBondContact O-N 2.83Å
11	N	56.3	Low	53.5	Low	171 Å²	171	150.7 Å²	150.7	91%	0.914	83%	0.825	S	S	*	*			trans	-75.2	111.2	-178.6	-145.5	10.4	0	0	0	110.2
12	E	59.2	Low	53.2	Low	173 Å²	173	142.9 Å²	142.9	81%	0.808	79%	0.791	S	S	*	*			trans	-83	145.9	172.8	-89	-175.3	170.2	0	0	111.7	P10	P10-E12 PolarHBondContact O-N 2.83Å
13	P	48.3	Very low	52.4	Low	124 Å²	124	142.2 Å²	142.2	81%	0.805	79%	0.787	S	S	*	*			trans	-70.2	130.7	-177.5	-10	25.8	0	0	0	111.9	E15	P13-E15 PolarHBondContact O-N 3.44Å
14	I	47.4	Very low	51.2	Low	173 Å²	173	141.5 Å²	141.5	89%	0.887	78%	0.781	S	S	*	*			trans	-79.3	111.2	173.7	-57.6	171.9	0	0	0	108.9
15	E	42	Very low	49.8	Very low	173 Å²	173	137.3 Å²	137.3	81%	0.808	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-69.9	147.1	169.4	-82.6	-169.4	162	0	0	111.9	P13 A17	P13-E15 PolarHBondContact O-N 3.44Å; E15-A17 PolarHBondContact O-N 3.48Å
16	P	40.3	Very low	48.2	Very low	123 Å²	123	133.1 Å²	133.1	80%	0.799	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-64.4	132.8	-176.1	25.5	-33	0	0	0	112.6	N18	P16-N18 PolarHBondContact O-N 3.2Å
17	A	43.8	Very low	46.6	Very low	74 Å²	74	133.3 Å²	133.3	61%	0.612	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-66	118.3	-176.4	0	0	0	0	0	113.3	E15	E15-A17 PolarHBondContact O-N 3.48Å
18	N	39.3	Very low	44.9	Very low	137 Å²	137	129.6 Å²	129.6	73%	0.733	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-62	134	163.8	-74.6	-31.3	0	0	0	110.9	P16 R207	P16-N18 PolarHBondContact O-N 3.2Å; N18-R207 PolarHBondContact O-NH2 3.38Å
19	T	35	Very low	43.6	Very low	129 Å²	129	126.5 Å²	126.5	79%	0.791	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-72.1	139.3	178.6	10.9	0	0	0	0	111.7
20	P	39.2	Very low	41.9	Very low	80 Å²	80	128 Å²	128	52%	0.519	77%	0.766	S	S	.	*	P	Polyproline II helix	trans	-68.5	141.2	173.5	27	-30.9	0	0	0	111.5	A205	P20-A205 HydrophobicContact CB-CB 4.49Å
21	T	40.7	Very low	40.6	Very low	148 Å²	148	131.4 Å²	131.4	91%	0.908	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-71.3	134.6	-178.2	-31.5	0	0	0	0	111.3
22	V	41	Very low	39.4	Very low	82 Å²	82	132.4 Å²	132.4	50%	0.497	77%	0.77	S	S	.	*	P	Polyproline II helix	trans	-98	126.1	177.7	174.4	0	0	0	0	108.9	T24	V22-T24 HydrophobicContact CG1-CG2 3.74Å
23	D	39.9	Very low	38.2	Very low	146 Å²	146	131.1 Å²	131.1	78%	0.781	77%	0.774	S	S	*	*			trans	-94.7	115.2	169.3	-158.8	-3.6	0	0	0	109
24	T	38.4	Very low	37.3	Very low	106 Å²	106	130.2 Å²	130.2	65%	0.65	77%	0.771	S	S	*	*			trans	-129.1	79.6	179.5	35.6	0	0	0	0	108.8	V22	V22-T24 HydrophobicContact CG1-CG2 3.74Å
25	S	36.5	Very low	36.6	Very low	107 Å²	107	127.1 Å²	127.1	75%	0.748	77%	0.765	S	S	*	*			trans	-101.3	104.5	169.3	63	0	0	0	0	110
26	A	35.5	Very low	36.1	Very low	94 Å²	94	128.6 Å²	128.6	78%	0.777	77%	0.772	S	S	*	*			trans	-124.4	128	157.9	0	0	0	0	0	107.8
27	P	35.9	Very low	35.6	Very low	128 Å²	128	131.9 Å²	131.9	83%	0.831	78%	0.776	S	S	*	*			trans	-86.5	135.5	178.7	32.7	-29	0	0	0	111
28	V	31.2	Very low	35.1	Very low	131 Å²	131	135.5 Å²	135.5	79%	0.794	79%	0.79	S	S	*	*			trans	-86.3	125.5	167.2	175.1	0	0	0	0	108.2
29	S	35	Very low	34.5	Very low	119 Å²	119	132.2 Å²	132.2	83%	0.832	79%	0.789	S	S	*	*			trans	-127.5	108.6	167.9	-90.9	0	0	0	0	110.1
30	D	31.3	Very low	34.1	Very low	148 Å²	148	130.4 Å²	130.4	79%	0.791	79%	0.787	S	S	*	*			trans	-81.5	129	165.5	-73.4	-48.1	0	0	0	110.2
31	Q	35.6	Very low	33.6	Very low	194 Å²	194	135.3 Å²	135.3	91%	0.907	80%	0.803	S	S	*	*			trans	-143.7	118.4	152.8	-77.3	-162.8	-6.5	0	0	111.5
32	Q	31.5	Very low	33.1	Very low	192 Å²	192	133.6 Å²	133.6	90%	0.897	80%	0.797	S	S	*	*			trans	-76.6	133.5	162.2	-70.1	169.9	-60.1	0	0	110
33	T	34	Very low	32.5	Very low	145 Å²	145	134.9 Å²	134.9	89%	0.89	82%	0.817	S	S	*	*			trans	-156.5	150.6	144.2	43.1	0	0	0	0	111.1
34	S	30.8	Very low	32.1	Very low	106 Å²	106	135.2 Å²	135.2	74%	0.741	82%	0.818	S	S	*	*			trans	-94.8	147.8	-157.6	42.5	0	0	0	0	116.5
35	S	31.3	Very low	31.5	Very low	108 Å²	108	134.2 Å²	134.2	76%	0.755	83%	0.829	S	S	*	*			trans	48.9	117.4	143	62	0	0	0	0	121.5
36	E	32.7	Very low	31.2	Very low	204 Å²	204	137.9 Å²	137.9	95%	0.953	84%	0.835	S	S	*	*			trans	-161.5	132.7	131.7	-110	172.7	168.2	0	0	110.9
37	Q	30	Very low	30.9	Very low	191 Å²	191	141.6 Å²	141.6	89%	0.893	84%	0.841	S	S	*	*			trans	-89.1	132	175.7	-74.3	176.4	-55.5	0	0	110.4
38	V	33	Very low	30.7	Very low	150 Å²	150	140.4 Å²	140.4	91%	0.909	84%	0.836	S	S	*	*			trans	-154.7	132.8	138.9	-175.3	0	0	0	0	107.8
39	G	25	Very low	31.3	Very low	69 Å²	69	137.2 Å²	137.2	71%	0.711	83%	0.829	S	S	*	*			trans	-86.7	-167.4	-179	0	0	0	0	0	115.4
40	A	28.6	Very low	32.3	Very low	91 Å²	91	134.3 Å²	134.3	75%	0.752	81%	0.807	S	S	*	*			trans	93.2	110	172.2	0	0	0	0	0	116.6
41	E	27.5	Very low	34	Very low	183 Å²	183	132.9 Å²	132.9	86%	0.855	80%	0.795	S	S	*	*			trans	98.8	129	131.3	-71.9	172.2	-179.6	0	0	121.1
42	S	30.6	Very low	36	Very low	111 Å²	111	124.4 Å²	124.4	78%	0.776	76%	0.756	S	S	*	*			trans	88	90	153.5	-55.5	0	0	0	0	117.4	N44	S42-N44 PolarHBondContact O-N 2.97Å; S42-N44 VanDerWaalsContact O-N 3.12Å
43	A	27.9	Very low	38.4	Very low	110 Å²	110	117.4 Å²	117.4	91%	0.909	73%	0.728	S	S	*	*			trans	-54.5	108.6	161.8	0	0	0	0	0	110.3
44	N	31.1	Very low	40.9	Very low	152 Å²	152	115.5 Å²	115.5	81%	0.813	72%	0.718	S	S	*	*			trans	-96.2	121.9	169.9	-136.2	6.8	0	0	0	107.3	S42 Q46	S42-N44 PolarHBondContact O-N 2.97Å; S42-N44 VanDerWaalsContact O-N 3.12Å; N44-Q46 PolarHBondContact O-N 2.63Å
45	G	26.9	Very low	43.7	Very low	85 Å²	85	116.6 Å²	116.6	88%	0.876	71%	0.714	S	S	*	*			trans	-55.2	110.5	-177.3	0	0	0	0	0	111.6
46	Q	28.9	Very low	46.5	Very low	185 Å²	185	113.6 Å²	113.6	86%	0.864	69%	0.689	S	S	*	*			trans	-92.3	127.7	172	-73.2	179.2	-44.5	0	0	108.6	N44 S48	N44-Q46 PolarHBondContact O-N 2.63Å; Q46-S48 PolarHBondContact O-N 3.17Å
47	N	29.3	Very low	49.1	Very low	171 Å²	171	105.3 Å²	105.3	91%	0.914	65%	0.651	S	S	*	*			trans	-35.6	107.4	171.5	-83.6	-26.2	0	0	0	112.1	G49	N47-G49 VanDerWaalsContact C-N 3.33Å; N47-G49 PolarHBondContact O-N 2.94Å
48	S	33.2	Very low	51.9	Low	104 Å²	104	100.5 Å²	100.5	73%	0.727	63%	0.628	S	S	*	*			trans	-76.4	83.4	173	54.6	0	0	0	0	109.5	Q46 T50	Q46-S48 PolarHBondContact O-N 3.17Å; S48-T50 PolarHBondContact O-N 3.14Å
49	G	43.2	Very low	54.8	Low	63 Å²	63	94.6 Å²	94.6	65%	0.649	59%	0.591	S	S	*	*			trans	-63.3	110.5	153.2	0	0	0	0	0	106.9	N47 H51	N47-G49 VanDerWaalsContact C-N 3.33Å; N47-G49 PolarHBondContact O-N 2.94Å; G49-H51 PolarHBondContact O-N 3.37Å
50	T	55.4	Low	57.8	Low	58 Å²	58	91.3 Å²	91.3	36%	0.356	56%	0.557	S	S	.	*			trans	-68.3	95.2	-171.7	36.8	0	0	0	0	110.9	S48 L121	S48-T50 PolarHBondContact O-N 3.14Å; T50-L121 WeakPolarHBondContact O-CD1 3.27Å
51	H	68.4	Low	60.7	Low	119 Å²	119	91.9 Å²	91.9	55%	0.551	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-81.8	117.1	171	-171.4	-88.7	0	0	0	108.4	G49 E162	G49-H51 PolarHBondContact O-N 3.37Å; H51-E162 IonicContact CD2-OE1 2.84Å; H51-E162 PolarHBondContact CD2-OE1 2.63Å; H51-E162 IonicContact CD2-OE2 2.8Å; H51-E162 IonicContact CE1-OE1 3.15Å; H51-E162 PolarHBondContact CE1-OE1 3.21Å; H51-E162 IonicContact CE1-OE2 2.99Å; H51-E162 PolarHBondContact CE1-OE2 2.94Å; H51-E162 IonicContact CG-OE1 3.27Å; H51-E162 VanDerWaalsContact CG-OE1 3.27Å; H51-E162 IonicContact ND1-OE1 2.92Å; H51-E162 PolarHBondContact ND1-OE1 3.15Å; H51-E162 IonicContact ND1-OE2 3.73Å; H51-E162 IonicContact NE2-OE1 2.67Å; H51-E162 PolarHBondContact NE2-OE1 3.36Å; H51-E162 VanDerWaalsContact NE2-OE1 3.15Å; H51-E162 IonicContact NE2-OE2 3.21Å; H51-E162 PolarHBondContact NE2-OE2 3.03Å
52	L	75.9	Confident	63.9	Low	15 Å²	15	85.7 Å²	85.7	8%	0.079	52%	0.516	C	S	.	.	P	Polyproline II helix	trans	-70.6	145.5	173.4	-49.3	-177.3	0	0	0	110.2	Q56 L57 V60 L74 F82 Y166	L52-Q56 VanDerWaalsContact CA-OE1 3.27Å; L52-Q56 HydrophobicContact CB-CB 3.72Å; L52-Q56 HydrophobicContact CD1-CB 4.48Å; L52-Q56 HydrophobicContact CD2-CB 4.45Å; L52-Q56 HydrophobicContact CG-CB 4.46Å; L52-L57 HydrophobicContact CB-CG 4.45Å; L52-V60 HydrophobicContact CD1-CG2 4.15Å; L52-L74 HydrophobicContact CD1-CD2 3.7Å; L52-F82 HydrophobicContact CD1-CE1 3.71Å; L52-F82 HydrophobicContact CD1-CZ 3.7Å; L52-F82 HydrophobicContact CD2-CE1 3.96Å; L52-F82 HydrophobicContact CD2-CE2 3.69Å; L52-F82 HydrophobicContact CD2-CZ 3.32Å; L52-F82 HydrophobicContact CG-CE1 4.46Å; L52-F82 HydrophobicContact CG-CZ 4.18Å; L52-Y166 WeakPolarHBondContact CA-OH 3.22Å; L52-Y166 HydrophobicContact CB-CE1 3.69Å; L52-Y166 WeakPolarHBondContact CB-OH 3.26Å; L52-Y166 HydrophobicContact CD1-CD1 4.47Å; L52-Y166 HydrophobicContact CD1-CE1 3.69Å; L52-Y166 HydrophobicContact CG-CE1 3.5Å; L52-Y166 PolarHBondContact N-OH 2.99Å; L52-Y166 PolarHBondContact O-OH 3.11Å
53	S	83.4	Confident	66.8	Low	46 Å²	46	80.4 Å²	80.4	32%	0.322	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-73.4	162.6	170.6	65.2	0	0	0	0	111.1	I55 Q56 L57	S53-I55 PolarHBondContact O-N 3.21Å; S53-I55 VanDerWaalsContact O-N 3.11Å; S53-Q56 WeakPolarHBondContact O-CB 3.44Å; S53-Q56 PolarHBondContact O-N 3.03Å; S53-Q56 WeakPolarHBondContact OG-CG 3.32Å; S53-Q56 PolarHBondContact OG-N 3.41Å; S53-Q56 PolarHBondContact OG-OE1 2.91Å; S53-L57 PolarHBondContact O-N 3.29Å
54	P	85.6	Confident	69.7	Low	104 Å²	104	77 Å²	77	68%	0.675	45%	0.445	S	S	*	.	H	α-helix	trans	-53.3	-32.2	172.9	-28.8	35.9	0	0	0	114.2	Q58	P54-Q58 PolarHBondContact O-N 3.38Å; P54-Q58 VanDerWaalsContact O-N 3.11Å
55	I	89.9	Confident	72.6	Confident	129 Å²	129	75.9 Å²	75.9	66%	0.662	44%	0.439	S	S	*	.	H	α-helix	trans	-67.1	-46.7	176.2	-63.2	171.6	0	0	0	110.1	S53 L57 Q58 L59	S53-I55 PolarHBondContact O-N 3.21Å; S53-I55 VanDerWaalsContact O-N 3.11Å; I55-L57 VanDerWaalsContact C-N 3.33Å; I55-L57 PolarHBondContact O-N 3.21Å; I55-Q58 WeakPolarHBondContact O-CB 3.48Å; I55-Q58 PolarHBondContact O-N 3.37Å; I55-Q58 VanDerWaalsContact O-N 3.13Å; I55-L59 PolarHBondContact O-N 3.45Å; I55-L59 VanDerWaalsContact O-N 3.07Å
56	Q	90.8	Very high	75.8	Confident	46 Å²	46	76.9 Å²	76.9	22%	0.215	42%	0.424	C	S	.	.	H	α-helix	trans	-63.4	-39.8	178	-70.9	173.8	-50.8	0	0	111.4	L52 S53 Q58 L59 V60 F82	L52-Q56 VanDerWaalsContact CA-OE1 3.27Å; L52-Q56 HydrophobicContact CB-CB 3.72Å; L52-Q56 HydrophobicContact CD1-CB 4.48Å; L52-Q56 HydrophobicContact CD2-CB 4.45Å; L52-Q56 HydrophobicContact CG-CB 4.46Å; S53-Q56 WeakPolarHBondContact O-CB 3.44Å; S53-Q56 PolarHBondContact O-N 3.03Å; S53-Q56 WeakPolarHBondContact OG-CG 3.32Å; S53-Q56 PolarHBondContact OG-N 3.41Å; S53-Q56 PolarHBondContact OG-OE1 2.91Å; Q56-Q58 VanDerWaalsContact C-N 3.29Å; Q56-Q58 PolarHBondContact O-N 2.93Å; Q56-L59 WeakPolarHBondContact O-CB 3.28Å; Q56-L59 PolarHBondContact O-N 2.94Å; Q56-V60 WeakPolarHBondContact O-CG2 3.2Å; Q56-V60 PolarHBondContact O-N 3.47Å; Q56-F82 HydrophobicContact CB-CB 4.49Å; Q56-F82 HydrophobicContact CB-CD1 3.55Å; Q56-F82 HydrophobicContact CB-CE1 3.94Å; Q56-F82 HydrophobicContact CB-CG 4.06Å; Q56-F82 HydrophobicContact CG-CB 3.67Å; Q56-F82 HydrophobicContact CG-CD1 3.64Å; Q56-F82 HydrophobicContact CG-CD2 4.23Å; Q56-F82 HydrophobicContact CG-CE1 4.36Å; Q56-F82 HydrophobicContact CG-CG 3.59Å; Q56-F82 VanDerWaalsContact NE2-CD2 3.32Å
57	L	86	Confident	78.6	Confident	30 Å²	30	71.4 Å²	71.4	16%	0.157	42%	0.417	C	S	.	.	H	α-helix	trans	-60.6	-36.8	172.9	-74.9	172.8	0	0	0	112.9	L52 S53 I55 V60 K61 Y166 L169	L52-L57 HydrophobicContact CB-CG 4.45Å; S53-L57 PolarHBondContact O-N 3.29Å; I55-L57 VanDerWaalsContact C-N 3.33Å; I55-L57 PolarHBondContact O-N 3.21Å; L57-V60 PolarHBondContact O-N 2.95Å; L57-K61 WeakPolarHBondContact O-CG 3.35Å; L57-K61 PolarHBondContact O-N 3.16Å; L57-K61 VanDerWaalsContact O-N 3.12Å; L57-Y166 HydrophobicContact CD2-CD1 4.29Å; L57-Y166 HydrophobicContact CD2-CE1 3.61Å; L57-Y166 HydrophobicContact CG-CE1 4.43Å; L57-L169 HydrophobicContact CD2-CD1 3.53Å
58	Q	90	Very high	81.4	Confident	90 Å²	90	65.6 Å²	65.6	42%	0.421	38%	0.383	S	S	.	.	H	α-helix	trans	-67.1	-43.6	176.4	-172.7	57.3	45.4	0	0	111.2	P54 I55 Q56 V60 K61 D62	P54-Q58 PolarHBondContact O-N 3.38Å; P54-Q58 VanDerWaalsContact O-N 3.11Å; I55-Q58 WeakPolarHBondContact O-CB 3.48Å; I55-Q58 PolarHBondContact O-N 3.37Å; I55-Q58 VanDerWaalsContact O-N 3.13Å; Q56-Q58 VanDerWaalsContact C-N 3.29Å; Q56-Q58 PolarHBondContact O-N 2.93Å; Q58-V60 VanDerWaalsContact C-N 3.29Å; Q58-V60 PolarHBondContact O-N 3.43Å; Q58-K61 WeakPolarHBondContact O-CB 3.29Å; Q58-K61 PolarHBondContact O-N 3.46Å; Q58-D62 PolarHBondContact NE2-OD1 3.24Å; Q58-D62 PolarHBondContact O-N 3.37Å
59	L	93.4	Very high	83.7	Confident	25 Å²	25	62.7 Å²	62.7	13%	0.131	36%	0.362	C	S	.	.	H	α-helix	trans	-57.4	-43.2	175	-67.3	172.4	0	0	0	111.7	I55 Q56 K61 D62 V63 L77 F82 V85	I55-L59 PolarHBondContact O-N 3.45Å; I55-L59 VanDerWaalsContact O-N 3.07Å; Q56-L59 WeakPolarHBondContact O-CB 3.28Å; Q56-L59 PolarHBondContact O-N 2.94Å; L59-K61 PolarHBondContact O-N 2.91Å; L59-D62 PolarHBondContact O-N 3.23Å; L59-V63 WeakPolarHBondContact O-CG2 3.27Å; L59-V63 PolarHBondContact O-N 3.09Å; L59-L77 VanDerWaalsContact C-CD1 3.45Å; L59-L77 HydrophobicContact CB-CD1 3.87Å; L59-L77 HydrophobicContact CB-CD2 3.75Å; L59-L77 HydrophobicContact CD1-CD2 4.24Å; L59-F82 HydrophobicContact CD1-CB 3.97Å; L59-F82 WeakPolarHBondContact CD1-O 3.29Å; L59-V85 HydrophobicContact CD2-CG2 3.72Å
60	V	89	Confident	85.6	Confident	0 Å²	0	62 Å²	62	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-59.5	-48.2	177.3	176.5	0	0	0	0	110.7	L52 Q56 L57 Q58 D62 V63 I64 A73 L74 L77 F82 L169	L52-V60 HydrophobicContact CD1-CG2 4.15Å; Q56-V60 WeakPolarHBondContact O-CG2 3.2Å; Q56-V60 PolarHBondContact O-N 3.47Å; L57-V60 PolarHBondContact O-N 2.95Å; Q58-V60 VanDerWaalsContact C-N 3.29Å; Q58-V60 PolarHBondContact O-N 3.43Å; V60-D62 VanDerWaalsContact C-N 3.28Å; V60-D62 PolarHBondContact O-N 3.2Å; V60-V63 PolarHBondContact O-N 3.27Å; V60-I64 HydrophobicContact CG1-CD1 3.68Å; V60-I64 HydrophobicContact CG1-CG1 4.49Å; V60-I64 WeakPolarHBondContact O-CD1 3.36Å; V60-I64 VanDerWaalsContact O-CG1 3.26Å; V60-I64 WeakPolarHBondContact O-CG1 3.26Å; V60-I64 PolarHBondContact O-N 3.21Å; V60-A73 HydrophobicContact CG1-CB 4.46Å; V60-L74 HydrophobicContact CB-CD2 4.36Å; V60-L74 HydrophobicContact CG1-CD2 3.87Å; V60-L74 HydrophobicContact CG1-CG 3.89Å; V60-L74 HydrophobicContact CG2-CD2 3.51Å; V60-L74 HydrophobicContact CG2-CG 4.27Å; V60-L77 HydrophobicContact CB-CD1 4.02Å; V60-L77 HydrophobicContact CG2-CD1 3.5Å; V60-L77 VanDerWaalsContact N-CD1 3.3Å; V60-F82 HydrophobicContact CG2-CE1 3.88Å; V60-L169 HydrophobicContact CG1-CD1 4.07Å; V60-L169 HydrophobicContact CG1-CD2 3.92Å; V60-L169 HydrophobicContact CG1-CG 4.49Å
61	K	88.7	Confident	86.6	Confident	103 Å²	103	62.3 Å²	62.3	45%	0.448	34%	0.341	S	S	.	.	H	α-helix	trans	-59.6	-40.5	176.4	-70.6	171.7	-175.3	174.3	0	112	L57 Q58 L59 I64 N65	L57-K61 WeakPolarHBondContact O-CG 3.35Å; L57-K61 PolarHBondContact O-N 3.16Å; L57-K61 VanDerWaalsContact O-N 3.12Å; Q58-K61 WeakPolarHBondContact O-CB 3.29Å; Q58-K61 PolarHBondContact O-N 3.46Å; L59-K61 PolarHBondContact O-N 2.91Å; K61-I64 PolarHBondContact O-N 3.49Å; K61-N65 WeakPolarHBondContact O-CB 3.34Å; K61-N65 PolarHBondContact O-N 2.94Å; K61-N65 PolarHBondContact O-ND2 3.06Å; K61-N65 VanDerWaalsContact O-ND2 3.12Å
62	D	94.5	Very high	87.4	Confident	54 Å²	54	57.1 Å²	57.1	29%	0.289	32%	0.317	S	S	.	.	H	α-helix	trans	-66.2	-41.5	-179.3	-66	-20.6	0	0	0	111.4	Q58 L59 V60 N65 L66 V85	Q58-D62 PolarHBondContact NE2-OD1 3.24Å; Q58-D62 PolarHBondContact O-N 3.37Å; L59-D62 PolarHBondContact O-N 3.23Å; V60-D62 VanDerWaalsContact C-N 3.28Å; V60-D62 PolarHBondContact O-N 3.2Å; D62-N65 PolarHBondContact O-N 3.38Å; D62-L66 WeakPolarHBondContact O-CG 3.41Å; D62-L66 PolarHBondContact O-N 3.48Å; D62-V85 HydrophobicContact CB-CG1 4.47Å; D62-V85 HydrophobicContact CB-CG2 3.55Å
63	V	91.8	Very high	88	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-65.5	-40.1	173.9	179.5	0	0	0	0	111.3	L59 V60 N65 L66 Y68 A73 L77 V85 A88 I92	L59-V63 WeakPolarHBondContact O-CG2 3.27Å; L59-V63 PolarHBondContact O-N 3.09Å; V60-V63 PolarHBondContact O-N 3.27Å; V63-N65 VanDerWaalsContact C-N 3.32Å; V63-N65 PolarHBondContact O-N 3.4Å; V63-L66 WeakPolarHBondContact O-CB 3.33Å; V63-L66 PolarHBondContact O-N 3.06Å; V63-L66 VanDerWaalsContact O-N 3.13Å; V63-Y68 HydrophobicContact CG1-CD2 3.78Å; V63-Y68 HydrophobicContact CG1-CG 4.26Å; V63-Y68 WeakPolarHBondContact O-CD2 3.49Å; V63-A73 HydrophobicContact CB-CB 3.84Å; V63-A73 HydrophobicContact CG1-CB 3.57Å; V63-L77 HydrophobicContact CG2-CD1 3.96Å; V63-L77 HydrophobicContact CG2-CD2 4.38Å; V63-L77 HydrophobicContact CG2-CG 4.14Å; V63-V85 HydrophobicContact CG2-CB 4.39Å; V63-V85 HydrophobicContact CG2-CG1 3.89Å; V63-V85 HydrophobicContact CG2-CG2 4.47Å; V63-A88 HydrophobicContact CG2-CB 3.99Å; V63-I92 HydrophobicContact CG1-CD1 4.09Å
64	I	88.5	Confident	88	Confident	39 Å²	39	54.9 Å²	54.9	20%	0.2	30%	0.302	C	S	.	.	H	α-helix	trans	-62	-41.3	174.7	-67.9	159.2	0	0	0	111.2	V60 K61 L66 G67 N70 A73 L169	V60-I64 HydrophobicContact CG1-CD1 3.68Å; V60-I64 HydrophobicContact CG1-CG1 4.49Å; V60-I64 WeakPolarHBondContact O-CD1 3.36Å; V60-I64 VanDerWaalsContact O-CG1 3.26Å; V60-I64 WeakPolarHBondContact O-CG1 3.26Å; V60-I64 PolarHBondContact O-N 3.21Å; K61-I64 PolarHBondContact O-N 3.49Å; I64-L66 PolarHBondContact O-N 3.48Å; I64-L66 VanDerWaalsContact O-N 3.17Å; I64-G67 WeakPolarHBondContact O-CA 3.36Å; I64-G67 PolarHBondContact O-N 3.45Å; I64-N70 HydrophobicContact CD1-CB 4.07Å; I64-N70 WeakPolarHBondContact CD1-OD1 3.34Å; I64-N70 HydrophobicContact CG1-CB 4.43Å; I64-A73 HydrophobicContact CG1-CB 3.75Å; I64-L169 HydrophobicContact CD1-CD2 3.59Å
65	N	91.7	Very high	87.9	Confident	128 Å²	128	50.3 Å²	50.3	68%	0.684	27%	0.271	S	S	*	.	H	α-helix	trans	-63.7	-19.2	177.8	-71.6	-30.2	0	0	0	112.9	K61 D62 V63	K61-N65 WeakPolarHBondContact O-CB 3.34Å; K61-N65 PolarHBondContact O-N 2.94Å; K61-N65 PolarHBondContact O-ND2 3.06Å; K61-N65 VanDerWaalsContact O-ND2 3.12Å; D62-N65 PolarHBondContact O-N 3.38Å; V63-N65 VanDerWaalsContact C-N 3.32Å; V63-N65 PolarHBondContact O-N 3.4Å
66	L	93.4	Very high	87.9	Confident	106 Å²	106	44.2 Å²	44.2	56%	0.555	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-3.3	171	-62	175.7	0	0	0	113.5	D62 V63 I64 Y68 V85 V89	D62-L66 WeakPolarHBondContact O-CG 3.41Å; D62-L66 PolarHBondContact O-N 3.48Å; V63-L66 WeakPolarHBondContact O-CB 3.33Å; V63-L66 PolarHBondContact O-N 3.06Å; V63-L66 VanDerWaalsContact O-N 3.13Å; I64-L66 PolarHBondContact O-N 3.48Å; I64-L66 VanDerWaalsContact O-N 3.17Å; L66-Y68 HydrophobicContact CB-CD2 3.97Å; L66-Y68 HydrophobicContact CB-CE2 3.99Å; L66-V85 HydrophobicContact CD1-CG1 3.65Å; L66-V89 HydrophobicContact CD1-CG2 3.58Å
67	G	88.4	Confident	87.9	Confident	70 Å²	70	42 Å²	42	72%	0.722	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	99.8	6.5	175.5	0	0	0	0	0	114.9	I64	I64-G67 WeakPolarHBondContact O-CA 3.36Å; I64-G67 PolarHBondContact O-N 3.45Å
68	Y	88.2	Confident	88	Confident	49 Å²	49	42.8 Å²	42.8	19%	0.192	23%	0.232	C	C	.	.			trans	-80.2	149.2	173.8	-60.7	-71.6	0	0	0	111.2	V63 L66 L72 V89 I92	V63-Y68 HydrophobicContact CG1-CD2 3.78Å; V63-Y68 HydrophobicContact CG1-CG 4.26Å; V63-Y68 WeakPolarHBondContact O-CD2 3.49Å; L66-Y68 HydrophobicContact CB-CD2 3.97Å; L66-Y68 HydrophobicContact CB-CE2 3.99Å; Y68-L72 HydrophobicContact CD1-CD2 3.79Å; Y68-L72 HydrophobicContact CG-CD2 4.46Å; Y68-V89 HydrophobicContact CE2-CG1 4.49Å; Y68-V89 HydrophobicContact CE2-CG2 3.92Å; Y68-I92 HydrophobicContact CD1-CD1 3.97Å; Y68-I92 HydrophobicContact CD1-CG2 3.94Å; Y68-I92 HydrophobicContact CD2-CD1 4.08Å; Y68-I92 HydrophobicContact CE1-CB 4.43Å; Y68-I92 HydrophobicContact CE1-CD1 4.21Å; Y68-I92 HydrophobicContact CE1-CG2 3.52Å; Y68-I92 HydrophobicContact CE2-CD1 4.33Å; Y68-I92 HydrophobicContact CG-CD1 3.88Å
69	S	82.2	Confident	88	Confident	43 Å²	43	44.8 Å²	44.8	30%	0.301	24%	0.236	S	C	.	.			trans	-64.7	156.2	175.1	73	0	0	0	0	110.9	E71 L72 A73	S69-E71 VanDerWaalsContact C-N 3.26Å; S69-E71 WeakPolarHBondContact CB-OE2 3.43Å; S69-E71 PolarHBondContact O-N 3.44Å; S69-E71 PolarHBondContact OG-OE2 2.67Å; S69-L72 PolarHBondContact O-N 3.33Å; S69-L72 WeakPolarHBondContact OG-CB 3.35Å; S69-L72 PolarHBondContact OG-N 2.91Å; S69-A73 VanDerWaalsContact O-CB 3.32Å; S69-A73 WeakPolarHBondContact O-CB 3.48Å; S69-A73 PolarHBondContact O-N 3.27Å
70	N	82	Confident	87.9	Confident	47 Å²	47	44.7 Å²	44.7	25%	0.251	24%	0.237	S	C	.	.	H	α-helix	trans	-62.7	-37.6	-177.5	-47.3	-58.7	0	0	0	111.8	I64 A73 L74 L169	I64-N70 HydrophobicContact CD1-CB 4.07Å; I64-N70 WeakPolarHBondContact CD1-OD1 3.34Å; I64-N70 HydrophobicContact CG1-CB 4.43Å; N70-A73 PolarHBondContact O-N 3.47Å; N70-L74 WeakPolarHBondContact O-CB 2.97Å; N70-L74 WeakPolarHBondContact O-CG 3.38Å; N70-L74 PolarHBondContact O-N 2.81Å; N70-L169 WeakPolarHBondContact CB-O 3.47Å
71	E	77.4	Confident	88.1	Confident	65 Å²	65	51.3 Å²	51.3	30%	0.304	27%	0.272	S	S	.	.	H	α-helix	trans	-64.6	-45.5	178.6	-56.3	73.8	-157.2	0	0	110.4	S69 Y75 F119	S69-E71 VanDerWaalsContact C-N 3.26Å; S69-E71 WeakPolarHBondContact CB-OE2 3.43Å; S69-E71 PolarHBondContact O-N 3.44Å; S69-E71 PolarHBondContact OG-OE2 2.67Å; E71-Y75 WeakPolarHBondContact O-CB 3.28Å; E71-Y75 PolarHBondContact O-N 2.77Å; E71-F119 WeakPolarHBondContact O-CE1 3.37Å
72	L	84.5	Confident	88.3	Confident	11 Å²	11	47.5 Å²	47.5	6%	0.058	26%	0.255	C	S	.	.	H	α-helix	trans	-67.1	-40.1	177.8	-177.6	60.5	0	0	0	111.5	Y68 S69 Y75 A76 W91 I92 Q99	Y68-L72 HydrophobicContact CD1-CD2 3.79Å; Y68-L72 HydrophobicContact CG-CD2 4.46Å; S69-L72 PolarHBondContact O-N 3.33Å; S69-L72 WeakPolarHBondContact OG-CB 3.35Å; S69-L72 PolarHBondContact OG-N 2.91Å; L72-Y75 PolarHBondContact O-N 2.89Å; L72-A76 WeakPolarHBondContact O-CB 3.37Å; L72-A76 PolarHBondContact O-N 2.86Å; L72-W91 HydrophobicContact CD1-CZ3 4.36Å; L72-I92 HydrophobicContact CD1-CG1 4.04Å; L72-I92 HydrophobicContact CD1-CG2 4.47Å; L72-I92 HydrophobicContact CD2-CD1 4.35Å; L72-I92 HydrophobicContact CD2-CG1 4.41Å; L72-I92 HydrophobicContact CD2-CG2 3.91Å; L72-I92 HydrophobicContact CG-CD1 3.98Å; L72-I92 HydrophobicContact CG-CG1 4Å; L72-I92 HydrophobicContact CG-CG2 4.38Å; L72-Q99 HydrophobicContact CD2-CG 3.75Å
73	A	87.9	Confident	88.3	Confident	0 Å²	0	52 Å²	52	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-61.7	-50.2	178	0	0	0	0	0	112	V60 V63 I64 S69 N70 Y75 L77	V60-A73 HydrophobicContact CG1-CB 4.46Å; V63-A73 HydrophobicContact CB-CB 3.84Å; V63-A73 HydrophobicContact CG1-CB 3.57Å; I64-A73 HydrophobicContact CG1-CB 3.75Å; S69-A73 VanDerWaalsContact O-CB 3.32Å; S69-A73 WeakPolarHBondContact O-CB 3.48Å; S69-A73 PolarHBondContact O-N 3.27Å; N70-A73 PolarHBondContact O-N 3.47Å; A73-Y75 VanDerWaalsContact C-N 3.32Å; A73-Y75 PolarHBondContact O-N 3.39Å; A73-L77 WeakPolarHBondContact O-CB 3.4Å; A73-L77 WeakPolarHBondContact O-CD1 3.37Å; A73-L77 WeakPolarHBondContact O-CG 3.24Å; A73-L77 PolarHBondContact O-N 2.64Å; A73-L77 VanDerWaalsContact O-N 3.08Å
74	L	85	Confident	88.5	Confident	14 Å²	14	53.6 Å²	53.6	7%	0.073	29%	0.285	C	S	.	.	H	α-helix	trans	-59.3	-44.7	175.9	-78.6	166.9	0	0	0	111	L52 V60 N70 L77 E78 F119 L169 Q170	L52-L74 HydrophobicContact CD1-CD2 3.7Å; V60-L74 HydrophobicContact CB-CD2 4.36Å; V60-L74 HydrophobicContact CG1-CD2 3.87Å; V60-L74 HydrophobicContact CG1-CG 3.89Å; V60-L74 HydrophobicContact CG2-CD2 3.51Å; V60-L74 HydrophobicContact CG2-CG 4.27Å; N70-L74 WeakPolarHBondContact O-CB 2.97Å; N70-L74 WeakPolarHBondContact O-CG 3.38Å; N70-L74 PolarHBondContact O-N 2.81Å; L74-L77 PolarHBondContact O-N 2.99Å; L74-E78 WeakPolarHBondContact O-CB 3.32Å; L74-E78 PolarHBondContact O-N 2.88Å; L74-F119 HydrophobicContact CB-CD1 4.26Å; L74-F119 HydrophobicContact CB-CE1 3.6Å; L74-L169 HydrophobicContact CD1-CB 4.07Å; L74-Q170 HydrophobicContact CD1-CG 4.29Å
75	Y	83	Confident	88.9	Confident	8 Å²	8	53 Å²	53	3%	0.031	28%	0.284	C	S	.	.	H	α-helix	trans	-66.8	-44.6	-177.6	-169.8	-129.4	0	0	0	113.5	E71 L72 A73 L77 E78 R79 W91 Y98 P115 F119	E71-Y75 WeakPolarHBondContact O-CB 3.28Å; E71-Y75 PolarHBondContact O-N 2.77Å; L72-Y75 PolarHBondContact O-N 2.89Å; A73-Y75 VanDerWaalsContact C-N 3.32Å; A73-Y75 PolarHBondContact O-N 3.39Å; Y75-L77 VanDerWaalsContact C-N 3.32Å; Y75-L77 PolarHBondContact O-N 2.86Å; Y75-E78 PolarHBondContact O-N 3.26Å; Y75-R79 HydrophobicContact CD2-CG 4.31Å; Y75-R79 HydrophobicContact CE1-CG 4.45Å; Y75-R79 HydrophobicContact CE2-CG 4.17Å; Y75-R79 VanDerWaalsContact O-CG 3.25Å; Y75-R79 WeakPolarHBondContact O-CG 3.42Å; Y75-R79 PolarHBondContact O-N 3.23Å; Y75-R79 VanDerWaalsContact OH-CZ 3.32Å; Y75-R79 PolarHBondContact OH-NE 3.4Å; Y75-R79 PolarHBondContact OH-NH2 2.91Å; Y75-W91 AromaticContact CD1-CH2 3.3Å; Y75-W91 HydrophobicContact CD1-CH2 3.3Å; Y75-W91 HydrophobicContact CD1-CZ2 4.11Å; Y75-W91 AromaticContact CD1-CZ3 3.78Å; Y75-W91 HydrophobicContact CD1-CZ3 3.78Å; Y75-W91 AromaticContact CE1-CH2 3.27Å; Y75-W91 HydrophobicContact CE1-CH2 3.27Å; Y75-W91 AromaticContact CE1-CZ2 3.75Å; Y75-W91 HydrophobicContact CE1-CZ2 3.75Å; Y75-W91 HydrophobicContact CE1-CZ3 4.21Å; Y75-W91 HydrophobicContact CG-CH2 4.42Å; Y75-Y98 AromaticContact CD1-CD1 3.64Å; Y75-Y98 HydrophobicContact CD1-CD1 3.64Å; Y75-Y98 AromaticContact CD1-CE1 3.67Å; Y75-Y98 HydrophobicContact CD1-CE1 3.67Å; Y75-Y98 HydrophobicContact CD1-CG 4.19Å; Y75-Y98 AromaticContact CE1-CD1 3.43Å; Y75-Y98 HydrophobicContact CE1-CD1 3.43Å; Y75-Y98 VanDerWaalsContact CE1-CD1 3.43Å; Y75-Y98 HydrophobicContact CE1-CD2 4.02Å; Y75-Y98 AromaticContact CE1-CE1 3.05Å; Y75-Y98 HydrophobicContact CE1-CE1 3.05Å; Y75-Y98 AromaticContact CE1-CE2 3.71Å; Y75-Y98 HydrophobicContact CE1-CE2 3.71Å; Y75-Y98 AromaticContact CE1-CG 3.9Å; Y75-Y98 HydrophobicContact CE1-CG 3.9Å; Y75-Y98 AromaticContact CE1-CZ 3.22Å; Y75-Y98 AromaticContact CZ-CE1 3.66Å; Y75-Y98 AromaticContact CZ-CZ 3.6Å; Y75-Y98 VanDerWaalsContact OH-CZ 3.27Å; Y75-Y98 PolarHBondContact OH-OH 2.81Å; Y75-P115 HydrophobicContact CD2-CB 4.36Å; Y75-P115 HydrophobicContact CE2-CB 3.47Å; Y75-P115 VanDerWaalsContact CE2-CB 3.47Å; Y75-P115 HydrophobicContact CE2-CG 4.23Å; Y75-P115 WeakPolarHBondContact OH-CB 3.34Å; Y75-P115 VanDerWaalsContact OH-CG 3.3Å; Y75-P115 WeakPolarHBondContact OH-CG 3.46Å; Y75-F119 HydrophobicContact CD2-CD2 4.42Å; Y75-F119 HydrophobicContact CD2-CE1 4.39Å; Y75-F119 AromaticContact CD2-CE2 3.16Å; Y75-F119 HydrophobicContact CD2-CE2 3.16Å; Y75-F119 AromaticContact CD2-CZ 3.21Å; Y75-F119 HydrophobicContact CD2-CZ 3.21Å; Y75-F119 AromaticContact CE2-CE2 3.83Å; Y75-F119 HydrophobicContact CE2-CE2 3.83Å; Y75-F119 HydrophobicContact CE2-CZ 4.27Å; Y75-F119 HydrophobicContact CG-CE1 4.41Å; Y75-F119 AromaticContact CG-CE2 3.71Å; Y75-F119 HydrophobicContact CG-CE2 3.71Å; Y75-F119 AromaticContact CG-CZ 3.56Å; Y75-F119 HydrophobicContact CG-CZ 3.56Å; Y75-F119 VanDerWaalsContact N-CE1 3.32Å
76	A	89.5	Confident	89.1	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-60.4	-46	177.5	0	0	0	0	0	111.3	L72 E78 R79 V80 A88 W91 I92	L72-A76 WeakPolarHBondContact O-CB 3.37Å; L72-A76 PolarHBondContact O-N 2.86Å; A76-E78 PolarHBondContact O-N 3.15Å; A76-R79 PolarHBondContact O-N 3.29Å; A76-V80 WeakPolarHBondContact O-CG2 3.15Å; A76-V80 PolarHBondContact O-N 3.01Å; A76-A88 HydrophobicContact CB-CB 3.9Å; A76-W91 VanDerWaalsContact CA-CE3 3.49Å; A76-W91 HydrophobicContact CB-CD2 4.49Å; A76-W91 HydrophobicContact CB-CE3 3.58Å; A76-W91 HydrophobicContact CB-CZ3 4.11Å; A76-I92 HydrophobicContact CB-CD1 3.59Å; A76-I92 HydrophobicContact CB-CG1 3.4Å; A76-I92 VanDerWaalsContact CB-CG1 3.4Å
77	L	90.7	Very high	89.3	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-63.8	-42.2	179.2	-80.1	164.4	0	0	0	112.2	L59 V60 V63 A73 L74 Y75 R79 V80 N81 F82 A88	L59-L77 VanDerWaalsContact C-CD1 3.45Å; L59-L77 HydrophobicContact CB-CD1 3.87Å; L59-L77 HydrophobicContact CB-CD2 3.75Å; L59-L77 HydrophobicContact CD1-CD2 4.24Å; V60-L77 HydrophobicContact CB-CD1 4.02Å; V60-L77 HydrophobicContact CG2-CD1 3.5Å; V60-L77 VanDerWaalsContact N-CD1 3.3Å; V63-L77 HydrophobicContact CG2-CD1 3.96Å; V63-L77 HydrophobicContact CG2-CD2 4.38Å; V63-L77 HydrophobicContact CG2-CG 4.14Å; A73-L77 WeakPolarHBondContact O-CB 3.4Å; A73-L77 WeakPolarHBondContact O-CD1 3.37Å; A73-L77 WeakPolarHBondContact O-CG 3.24Å; A73-L77 PolarHBondContact O-N 2.64Å; A73-L77 VanDerWaalsContact O-N 3.08Å; L74-L77 PolarHBondContact O-N 2.99Å; Y75-L77 VanDerWaalsContact C-N 3.32Å; Y75-L77 PolarHBondContact O-N 2.86Å; L77-R79 VanDerWaalsContact C-N 3.32Å; L77-R79 PolarHBondContact O-N 2.79Å; L77-V80 CarbonylContact O-C 3.55Å; L77-V80 WeakPolarHBondContact O-CG2 3.39Å; L77-V80 PolarHBondContact O-N 3Å; L77-N81 PolarHBondContact O-N 2.84Å; L77-F82 HydrophobicContact CB-CD1 3.62Å; L77-F82 HydrophobicContact CB-CE1 3.59Å; L77-F82 HydrophobicContact CB-CG 4.16Å; L77-F82 HydrophobicContact CB-CZ 4.13Å; L77-F82 HydrophobicContact CD1-CD1 4.27Å; L77-F82 HydrophobicContact CD1-CE1 4.24Å; L77-F82 HydrophobicContact CD2-CD1 4.31Å; L77-F82 HydrophobicContact CG-CD1 4.29Å; L77-F82 HydrophobicContact CG-CE1 4.47Å; L77-F82 WeakPolarHBondContact O-CA 3.5Å; L77-F82 PolarHBondContact O-N 3.13Å; L77-A88 HydrophobicContact CD2-CB 3.7Å; L77-A88 HydrophobicContact CG-CB 3.75Å
78	E	87.2	Confident	89.5	Confident	47 Å²	47	46.4 Å²	46.4	22%	0.22	23%	0.232	C	C	.	.	H	α-helix	trans	-62.6	-39.8	176.9	-178.3	163.6	-128.1	0	0	112.7	L74 Y75 A76 V80 N81 F82 M118	L74-E78 WeakPolarHBondContact O-CB 3.32Å; L74-E78 PolarHBondContact O-N 2.88Å; Y75-E78 PolarHBondContact O-N 3.26Å; A76-E78 PolarHBondContact O-N 3.15Å; E78-V80 PolarHBondContact O-N 3.03Å; E78-N81 PolarHBondContact O-N 3.13Å; E78-F82 HydrophobicContact CB-CE2 4.06Å; E78-F82 HydrophobicContact CB-CZ 4.41Å; E78-M118 HydrophobicContact CG-CE 3.98Å; E78-M118 WeakPolarHBondContact OE1-CE 3.37Å; E78-M118 WeakPolarHBondContact OE1-CG 3.19Å; E78-M118 WeakPolarHBondContact OE2-CE 3.4Å; E78-M118 WeakPolarHBondContact OE2-CG 2.95Å
79	R	90.6	Very high	89.8	Confident	131 Å²	131	45.1 Å²	45.1	49%	0.494	23%	0.23	S	C	.	.	H	α-helix	trans	-64.8	-26.4	177	-71.3	-72	-178.2	167.3	-5.1	113.5	Y75 A76 L77 W91	Y75-R79 HydrophobicContact CD2-CG 4.31Å; Y75-R79 HydrophobicContact CE1-CG 4.45Å; Y75-R79 HydrophobicContact CE2-CG 4.17Å; Y75-R79 VanDerWaalsContact O-CG 3.25Å; Y75-R79 WeakPolarHBondContact O-CG 3.42Å; Y75-R79 PolarHBondContact O-N 3.23Å; Y75-R79 VanDerWaalsContact OH-CZ 3.32Å; Y75-R79 PolarHBondContact OH-NE 3.4Å; Y75-R79 PolarHBondContact OH-NH2 2.91Å; A76-R79 PolarHBondContact O-N 3.29Å; L77-R79 VanDerWaalsContact C-N 3.32Å; L77-R79 PolarHBondContact O-N 2.79Å; R79-W91 HydrophobicContact CB-CD2 4.03Å; R79-W91 HydrophobicContact CB-CG 4.19Å; R79-W91 HydrophobicContact CB-CZ2 4.26Å; R79-W91 HydrophobicContact CG-CD2 4.37Å; R79-W91 HydrophobicContact CG-CH2 4.43Å; R79-W91 HydrophobicContact CG-CZ2 3.74Å
80	V	92.6	Very high	90.4	Very high	24 Å²	24	47.1 Å²	47.1	15%	0.145	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102	17.7	172.9	-54	0	0	0	0	112.5	A76 L77 E78 F82 E83 D87 A88 W91	A76-V80 WeakPolarHBondContact O-CG2 3.15Å; A76-V80 PolarHBondContact O-N 3.01Å; L77-V80 CarbonylContact O-C 3.55Å; L77-V80 WeakPolarHBondContact O-CG2 3.39Å; L77-V80 PolarHBondContact O-N 3Å; E78-V80 PolarHBondContact O-N 3.03Å; V80-F82 PolarHBondContact O-N 3.16Å; V80-F82 VanDerWaalsContact O-N 3.08Å; V80-E83 VanDerWaalsContact O-CB 3.3Å; V80-E83 WeakPolarHBondContact O-CB 3.3Å; V80-E83 PolarHBondContact O-N 3.26Å; V80-D87 HydrophobicContact CB-CB 3.94Å; V80-D87 HydrophobicContact CG1-CB 4.02Å; V80-D87 HydrophobicContact CG2-CB 3.95Å; V80-A88 HydrophobicContact CG2-CB 4.18Å; V80-W91 HydrophobicContact CG1-CB 3.91Å; V80-W91 HydrophobicContact CG1-CG 4.35Å
81	N	92.5	Very high	91	Very high	138 Å²	138	46.8 Å²	46.8	74%	0.738	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.4	34.3	179.1	-163.7	42.6	0	0	0	114.1	L77 E78 E83	L77-N81 PolarHBondContact O-N 2.84Å; E78-N81 PolarHBondContact O-N 3.13Å; N81-E83 VanDerWaalsContact C-N 3.26Å; N81-E83 PolarHBondContact O-N 2.91Å
82	F	93.1	Very high	91.7	Very high	23 Å²	23	43.7 Å²	43.7	10%	0.101	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	55	36.1	-176.9	-63.3	-99.1	0	0	0	113.6	L52 Q56 L59 V60 L77 E78 V80	L52-F82 HydrophobicContact CD1-CE1 3.71Å; L52-F82 HydrophobicContact CD1-CZ 3.7Å; L52-F82 HydrophobicContact CD2-CE1 3.96Å; L52-F82 HydrophobicContact CD2-CE2 3.69Å; L52-F82 HydrophobicContact CD2-CZ 3.32Å; L52-F82 HydrophobicContact CG-CE1 4.46Å; L52-F82 HydrophobicContact CG-CZ 4.18Å; Q56-F82 HydrophobicContact CB-CB 4.49Å; Q56-F82 HydrophobicContact CB-CD1 3.55Å; Q56-F82 HydrophobicContact CB-CE1 3.94Å; Q56-F82 HydrophobicContact CB-CG 4.06Å; Q56-F82 HydrophobicContact CG-CB 3.67Å; Q56-F82 HydrophobicContact CG-CD1 3.64Å; Q56-F82 HydrophobicContact CG-CD2 4.23Å; Q56-F82 HydrophobicContact CG-CE1 4.36Å; Q56-F82 HydrophobicContact CG-CG 3.59Å; Q56-F82 VanDerWaalsContact NE2-CD2 3.32Å; L59-F82 HydrophobicContact CD1-CB 3.97Å; L59-F82 WeakPolarHBondContact CD1-O 3.29Å; V60-F82 HydrophobicContact CG2-CE1 3.88Å; L77-F82 HydrophobicContact CB-CD1 3.62Å; L77-F82 HydrophobicContact CB-CE1 3.59Å; L77-F82 HydrophobicContact CB-CG 4.16Å; L77-F82 HydrophobicContact CB-CZ 4.13Å; L77-F82 HydrophobicContact CD1-CD1 4.27Å; L77-F82 HydrophobicContact CD1-CE1 4.24Å; L77-F82 HydrophobicContact CD2-CD1 4.31Å; L77-F82 HydrophobicContact CG-CD1 4.29Å; L77-F82 HydrophobicContact CG-CE1 4.47Å; L77-F82 WeakPolarHBondContact O-CA 3.5Å; L77-F82 PolarHBondContact O-N 3.13Å; E78-F82 HydrophobicContact CB-CE2 4.06Å; E78-F82 HydrophobicContact CB-CZ 4.41Å; V80-F82 PolarHBondContact O-N 3.16Å; V80-F82 VanDerWaalsContact O-N 3.08Å
83	E	94	Very high	92	Very high	150 Å²	150	48 Å²	48	70%	0.701	24%	0.24	S	C	*	.			trans	-65.5	-55.2	-179.7	-174.2	170.8	-176.2	0	0	112.5	V80 N81 D87	V80-E83 VanDerWaalsContact O-CB 3.3Å; V80-E83 WeakPolarHBondContact O-CB 3.3Å; V80-E83 PolarHBondContact O-N 3.26Å; N81-E83 VanDerWaalsContact C-N 3.26Å; N81-E83 PolarHBondContact O-N 2.91Å; E83-D87 WeakPolarHBondContact CG-OD2 3.44Å
84	S	96.2	Very high	92.1	Very high	32 Å²	32	54.1 Å²	54.1	22%	0.224	27%	0.273	C	S	.	.			trans	-158.2	165.8	174.7	83.4	0	0	0	0	113.1	N86 D87 A88	S84-N86 VanDerWaalsContact C-N 3.28Å; S84-N86 PolarHBondContact O-N 3.15Å; S84-N86 PolarHBondContact OG-N 2.96Å; S84-D87 VanDerWaalsContact CB-OD2 3.29Å; S84-D87 WeakPolarHBondContact CB-OD2 3.42Å; S84-D87 PolarHBondContact N-OD2 3.2Å; S84-D87 PolarHBondContact O-N 3.22Å; S84-D87 PolarHBondContact OG-N 3.35Å; S84-D87 VanDerWaalsContact OG-N 3.1Å; S84-D87 PolarHBondContact OG-OD2 3.17Å; S84-A88 PolarHBondContact O-N 3.12Å; S84-A88 VanDerWaalsContact O-N 3.16Å
85	V	96.1	Very high	92.1	Very high	28 Å²	28	56.2 Å²	56.2	17%	0.17	28%	0.284	C	S	.	.	H	α-helix	trans	-59.8	-40.8	171.6	178.8	0	0	0	0	110.8	L59 D62 V63 L66 D87 A88 V89	L59-V85 HydrophobicContact CD2-CG2 3.72Å; D62-V85 HydrophobicContact CB-CG1 4.47Å; D62-V85 HydrophobicContact CB-CG2 3.55Å; V63-V85 HydrophobicContact CG2-CB 4.39Å; V63-V85 HydrophobicContact CG2-CG1 3.89Å; V63-V85 HydrophobicContact CG2-CG2 4.47Å; L66-V85 HydrophobicContact CD1-CG1 3.65Å; V85-D87 PolarHBondContact O-N 3.46Å; V85-A88 PolarHBondContact O-N 3.41Å; V85-V89 HydrophobicContact CG1-CG2 4.36Å; V85-V89 VanDerWaalsContact O-CG2 3.26Å; V85-V89 WeakPolarHBondContact O-CG2 3.25Å; V85-V89 PolarHBondContact O-N 2.91Å
86	N	96.9	Very high	91.8	Very high	115 Å²	115	59.9 Å²	59.9	62%	0.615	31%	0.309	S	S	*	.	H	α-helix	trans	-66.4	-39.9	-178.6	-72.6	-18.9	0	0	0	111.4	S84 A88 V89 N90	S84-N86 VanDerWaalsContact C-N 3.28Å; S84-N86 PolarHBondContact O-N 3.15Å; S84-N86 PolarHBondContact OG-N 2.96Å; N86-A88 VanDerWaalsContact C-N 3.34Å; N86-V89 PolarHBondContact O-N 3.35Å; N86-N90 WeakPolarHBondContact O-CB 3.42Å; N86-N90 PolarHBondContact O-N 3.38Å; N86-N90 PolarHBondContact O-ND2 3.16Å
87	D	96.5	Very high	90.8	Very high	49 Å²	49	62.3 Å²	62.3	26%	0.262	33%	0.334	S	S	.	.	H	α-helix	trans	-65.6	-41.6	178.2	-58.8	-47.2	0	0	0	110.7	V80 E83 S84 V85 N90 W91	V80-D87 HydrophobicContact CB-CB 3.94Å; V80-D87 HydrophobicContact CG1-CB 4.02Å; V80-D87 HydrophobicContact CG2-CB 3.95Å; E83-D87 WeakPolarHBondContact CG-OD2 3.44Å; S84-D87 VanDerWaalsContact CB-OD2 3.29Å; S84-D87 WeakPolarHBondContact CB-OD2 3.42Å; S84-D87 PolarHBondContact N-OD2 3.2Å; S84-D87 PolarHBondContact O-N 3.22Å; S84-D87 PolarHBondContact OG-N 3.35Å; S84-D87 VanDerWaalsContact OG-N 3.1Å; S84-D87 PolarHBondContact OG-OD2 3.17Å; V85-D87 PolarHBondContact O-N 3.46Å; D87-N90 PolarHBondContact O-N 3.43Å; D87-W91 WeakPolarHBondContact O-CB 3.42Å; D87-W91 PolarHBondContact O-N 3.07Å
88	A	94.2	Very high	89.5	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-62	-44.6	174.1	0	0	0	0	0	111.7	V63 A76 L77 V80 S84 V85 N86 W91 I92	V63-A88 HydrophobicContact CG2-CB 3.99Å; A76-A88 HydrophobicContact CB-CB 3.9Å; L77-A88 HydrophobicContact CD2-CB 3.7Å; L77-A88 HydrophobicContact CG-CB 3.75Å; V80-A88 HydrophobicContact CG2-CB 4.18Å; S84-A88 PolarHBondContact O-N 3.12Å; S84-A88 VanDerWaalsContact O-N 3.16Å; V85-A88 PolarHBondContact O-N 3.41Å; N86-A88 VanDerWaalsContact C-N 3.34Å; A88-W91 PolarHBondContact O-N 3.1Å; A88-I92 VanDerWaalsContact O-CG1 3.26Å; A88-I92 WeakPolarHBondContact O-CG1 3.34Å; A88-I92 PolarHBondContact O-N 2.93Å
89	V	94.7	Very high	88.1	Confident	22 Å²	22	67.5 Å²	67.5	13%	0.133	36%	0.355	C	S	.	.	H	α-helix	trans	-62.9	-44.8	176.9	171.6	0	0	0	0	111.4	L66 Y68 V85 N86 W91 I92 L93	L66-V89 HydrophobicContact CD1-CG2 3.58Å; Y68-V89 HydrophobicContact CE2-CG1 4.49Å; Y68-V89 HydrophobicContact CE2-CG2 3.92Å; V85-V89 HydrophobicContact CG1-CG2 4.36Å; V85-V89 VanDerWaalsContact O-CG2 3.26Å; V85-V89 WeakPolarHBondContact O-CG2 3.25Å; V85-V89 PolarHBondContact O-N 2.91Å; N86-V89 PolarHBondContact O-N 3.35Å; V89-W91 VanDerWaalsContact C-N 3.32Å; V89-W91 PolarHBondContact O-N 2.98Å; V89-I92 WeakPolarHBondContact O-CB 3.16Å; V89-I92 PolarHBondContact O-N 3.44Å; V89-I92 VanDerWaalsContact O-N 3.16Å; V89-L93 HydrophobicContact CG1-CD1 4.04Å; V89-L93 HydrophobicContact CG1-CG 4.4Å; V89-L93 VanDerWaalsContact O-CG 3.32Å; V89-L93 WeakPolarHBondContact O-CG 3.49Å; V89-L93 PolarHBondContact O-N 3.47Å
90	N	94.6	Very high	86.1	Confident	85 Å²	85	67.5 Å²	67.5	46%	0.455	36%	0.364	S	S	.	.	H	α-helix	trans	-58.8	-46.2	175.9	-71.3	-26.8	0	0	0	110.7	N86 D87 I92 L93 D94	N86-N90 WeakPolarHBondContact O-CB 3.42Å; N86-N90 PolarHBondContact O-N 3.38Å; N86-N90 PolarHBondContact O-ND2 3.16Å; D87-N90 PolarHBondContact O-N 3.43Å; N90-I92 VanDerWaalsContact C-N 3.32Å; N90-I92 PolarHBondContact O-N 3.47Å; N90-L93 PolarHBondContact O-N 3.17Å; N90-D94 WeakPolarHBondContact O-CB 3.44Å; N90-D94 PolarHBondContact O-N 3.35Å
91	W	93.5	Very high	84	Confident	40 Å²	40	68.4 Å²	68.4	15%	0.152	37%	0.374	C	S	.	.	H	α-helix	trans	-58.4	-42.9	175.4	-176.2	91.7	0	0	0	112.1	L72 Y75 A76 R79 V80 D87 A88 V89 L93 D94 N95 Y98	L72-W91 HydrophobicContact CD1-CZ3 4.36Å; Y75-W91 AromaticContact CD1-CH2 3.3Å; Y75-W91 HydrophobicContact CD1-CH2 3.3Å; Y75-W91 HydrophobicContact CD1-CZ2 4.11Å; Y75-W91 AromaticContact CD1-CZ3 3.78Å; Y75-W91 HydrophobicContact CD1-CZ3 3.78Å; Y75-W91 AromaticContact CE1-CH2 3.27Å; Y75-W91 HydrophobicContact CE1-CH2 3.27Å; Y75-W91 AromaticContact CE1-CZ2 3.75Å; Y75-W91 HydrophobicContact CE1-CZ2 3.75Å; Y75-W91 HydrophobicContact CE1-CZ3 4.21Å; Y75-W91 HydrophobicContact CG-CH2 4.42Å; A76-W91 VanDerWaalsContact CA-CE3 3.49Å; A76-W91 HydrophobicContact CB-CD2 4.49Å; A76-W91 HydrophobicContact CB-CE3 3.58Å; A76-W91 HydrophobicContact CB-CZ3 4.11Å; R79-W91 HydrophobicContact CB-CD2 4.03Å; R79-W91 HydrophobicContact CB-CG 4.19Å; R79-W91 HydrophobicContact CB-CZ2 4.26Å; R79-W91 HydrophobicContact CG-CD2 4.37Å; R79-W91 HydrophobicContact CG-CH2 4.43Å; R79-W91 HydrophobicContact CG-CZ2 3.74Å; V80-W91 HydrophobicContact CG1-CB 3.91Å; V80-W91 HydrophobicContact CG1-CG 4.35Å; D87-W91 WeakPolarHBondContact O-CB 3.42Å; D87-W91 PolarHBondContact O-N 3.07Å; A88-W91 PolarHBondContact O-N 3.1Å; V89-W91 VanDerWaalsContact C-N 3.32Å; V89-W91 PolarHBondContact O-N 2.98Å; W91-L93 VanDerWaalsContact C-N 3.34Å; W91-L93 PolarHBondContact O-N 2.94Å; W91-D94 PolarHBondContact O-N 3.19Å; W91-N95 HydrophobicContact CH2-CB 4.04Å; W91-N95 HydrophobicContact CZ2-CB 4.08Å; W91-N95 HydrophobicContact CZ3-CB 4.35Å; W91-N95 PolarHBondContact NE1-ND2 3.43Å; W91-N95 WeakPolarHBondContact O-CB 3.28Å; W91-N95 PolarHBondContact O-N 2.99Å; W91-N95 PolarHBondContact O-ND2 3.47Å; W91-Y98 AromaticContact CH2-CD2 3.97Å; W91-Y98 HydrophobicContact CH2-CD2 3.97Å; W91-Y98 HydrophobicContact CH2-CE2 4.49Å; W91-Y98 HydrophobicContact CH2-CG 4.05Å
92	I	91.6	Very high	81.7	Confident	0 Å²	0	64 Å²	64	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-62	-42.6	177.4	-69.6	164.9	0	0	0	111.5	V63 Y68 L72 A76 A88 V89 N90 N95 Q99	V63-I92 HydrophobicContact CG1-CD1 4.09Å; Y68-I92 HydrophobicContact CD1-CD1 3.97Å; Y68-I92 HydrophobicContact CD1-CG2 3.94Å; Y68-I92 HydrophobicContact CD2-CD1 4.08Å; Y68-I92 HydrophobicContact CE1-CB 4.43Å; Y68-I92 HydrophobicContact CE1-CD1 4.21Å; Y68-I92 HydrophobicContact CE1-CG2 3.52Å; Y68-I92 HydrophobicContact CE2-CD1 4.33Å; Y68-I92 HydrophobicContact CG-CD1 3.88Å; L72-I92 HydrophobicContact CD1-CG1 4.04Å; L72-I92 HydrophobicContact CD1-CG2 4.47Å; L72-I92 HydrophobicContact CD2-CD1 4.35Å; L72-I92 HydrophobicContact CD2-CG1 4.41Å; L72-I92 HydrophobicContact CD2-CG2 3.91Å; L72-I92 HydrophobicContact CG-CD1 3.98Å; L72-I92 HydrophobicContact CG-CG1 4Å; L72-I92 HydrophobicContact CG-CG2 4.38Å; A76-I92 HydrophobicContact CB-CD1 3.59Å; A76-I92 HydrophobicContact CB-CG1 3.4Å; A76-I92 VanDerWaalsContact CB-CG1 3.4Å; A88-I92 VanDerWaalsContact O-CG1 3.26Å; A88-I92 WeakPolarHBondContact O-CG1 3.34Å; A88-I92 PolarHBondContact O-N 2.93Å; V89-I92 WeakPolarHBondContact O-CB 3.16Å; V89-I92 PolarHBondContact O-N 3.44Å; V89-I92 VanDerWaalsContact O-N 3.16Å; N90-I92 VanDerWaalsContact C-N 3.32Å; N90-I92 PolarHBondContact O-N 3.47Å; I92-N95 CarbonylContact O-C 3.58Å; I92-N95 PolarHBondContact O-N 2.92Å; I92-Q99 HydrophobicContact CG2-CG 4.26Å; I92-Q99 VanDerWaalsContact CG2-NE2 3.28Å
93	L	90.7	Very high	79.3	Confident	102 Å²	102	70 Å²	70	53%	0.534	39%	0.387	S	S	.	.	H	α-helix	trans	-68.4	-37.1	-179.7	-67.4	174.5	0	0	0	111.8	V89 N90 W91 N95	V89-L93 HydrophobicContact CG1-CD1 4.04Å; V89-L93 HydrophobicContact CG1-CG 4.4Å; V89-L93 VanDerWaalsContact O-CG 3.32Å; V89-L93 WeakPolarHBondContact O-CG 3.49Å; V89-L93 PolarHBondContact O-N 3.47Å; N90-L93 PolarHBondContact O-N 3.17Å; W91-L93 VanDerWaalsContact C-N 3.34Å; W91-L93 PolarHBondContact O-N 2.94Å; L93-N95 VanDerWaalsContact C-N 3.26Å; L93-N95 PolarHBondContact O-N 2.94Å
94	D	90.8	Very high	76.9	Confident	129 Å²	129	65.2 Å²	65.2	69%	0.69	37%	0.373	S	S	*	.	H	α-helix	trans	-74	-17	176.9	-69.5	-21.8	0	0	0	112.8	N90 W91 P96	N90-D94 WeakPolarHBondContact O-CB 3.44Å; N90-D94 PolarHBondContact O-N 3.35Å; W91-D94 PolarHBondContact O-N 3.19Å; D94-P96 WeakPolarHBondContact O-CD 3.37Å
95	N	85	Confident	74.4	Confident	58 Å²	58	70.1 Å²	70.1	31%	0.31	40%	0.396	S	S	.	.			trans	-121.2	61.8	-178.1	-65.6	-87.8	0	0	0	112.4	W91 I92 L93 G97 Y98	W91-N95 HydrophobicContact CH2-CB 4.04Å; W91-N95 HydrophobicContact CZ2-CB 4.08Å; W91-N95 HydrophobicContact CZ3-CB 4.35Å; W91-N95 PolarHBondContact NE1-ND2 3.43Å; W91-N95 WeakPolarHBondContact O-CB 3.28Å; W91-N95 PolarHBondContact O-N 2.99Å; W91-N95 PolarHBondContact O-ND2 3.47Å; I92-N95 CarbonylContact O-C 3.58Å; I92-N95 PolarHBondContact O-N 2.92Å; L93-N95 VanDerWaalsContact C-N 3.26Å; L93-N95 PolarHBondContact O-N 2.94Å; N95-G97 PolarHBondContact O-N 3.21Å; N95-G97 VanDerWaalsContact O-N 3.09Å; N95-Y98 PolarHBondContact O-N 3.27Å; N95-Y98 VanDerWaalsContact O-N 3.09Å
96	P	77.4	Confident	71.7	Confident	85 Å²	85	75.4 Å²	75.4	55%	0.552	43%	0.428	S	S	*	.	H	α-helix	trans	-62.6	-24.2	-174.6	26.8	-35.7	0	0	0	113.5	D94 Y98 Q99	D94-P96 WeakPolarHBondContact O-CD 3.37Å; P96-Y98 PolarHBondContact O-N 2.92Å; P96-Q99 PolarHBondContact O-N 3.14Å
97	G	67.7	Low	68.8	Low	50 Å²	50	74.1 Å²	74.1	52%	0.515	43%	0.428	S	S	.	.	H	α-helix	trans	-58.8	-28	176.4	0	0	0	0	0	113.5	N95 L100 A101	N95-G97 PolarHBondContact O-N 3.21Å; N95-G97 VanDerWaalsContact O-N 3.09Å; G97-L100 PolarHBondContact O-N 3.15Å; G97-A101 WeakPolarHBondContact O-CB 3.4Å; G97-A101 PolarHBondContact O-N 3.42Å
98	Y	64.2	Low	66.3	Low	80 Å²	80	77.3 Å²	77.3	31%	0.314	45%	0.454	S	S	.	.	H	α-helix	trans	-75.4	-31.8	179.3	-96.6	-86.8	0	0	0	113.8	Y75 W91 N95 P96 L100 A101 S102 P115	Y75-Y98 AromaticContact CD1-CD1 3.64Å; Y75-Y98 HydrophobicContact CD1-CD1 3.64Å; Y75-Y98 AromaticContact CD1-CE1 3.67Å; Y75-Y98 HydrophobicContact CD1-CE1 3.67Å; Y75-Y98 HydrophobicContact CD1-CG 4.19Å; Y75-Y98 AromaticContact CE1-CD1 3.43Å; Y75-Y98 HydrophobicContact CE1-CD1 3.43Å; Y75-Y98 VanDerWaalsContact CE1-CD1 3.43Å; Y75-Y98 HydrophobicContact CE1-CD2 4.02Å; Y75-Y98 AromaticContact CE1-CE1 3.05Å; Y75-Y98 HydrophobicContact CE1-CE1 3.05Å; Y75-Y98 AromaticContact CE1-CE2 3.71Å; Y75-Y98 HydrophobicContact CE1-CE2 3.71Å; Y75-Y98 AromaticContact CE1-CG 3.9Å; Y75-Y98 HydrophobicContact CE1-CG 3.9Å; Y75-Y98 AromaticContact CE1-CZ 3.22Å; Y75-Y98 AromaticContact CZ-CE1 3.66Å; Y75-Y98 AromaticContact CZ-CZ 3.6Å; Y75-Y98 VanDerWaalsContact OH-CZ 3.27Å; Y75-Y98 PolarHBondContact OH-OH 2.81Å; W91-Y98 AromaticContact CH2-CD2 3.97Å; W91-Y98 HydrophobicContact CH2-CD2 3.97Å; W91-Y98 HydrophobicContact CH2-CE2 4.49Å; W91-Y98 HydrophobicContact CH2-CG 4.05Å; N95-Y98 PolarHBondContact O-N 3.27Å; N95-Y98 VanDerWaalsContact O-N 3.09Å; P96-Y98 PolarHBondContact O-N 2.92Å; Y98-L100 VanDerWaalsContact C-N 3.26Å; Y98-L100 PolarHBondContact O-N 3.44Å; Y98-A101 PolarHBondContact O-N 3Å; Y98-S102 PolarHBondContact O-N 2.91Å; Y98-P115 HydrophobicContact CE1-CG 4.36Å; Y98-P115 WeakPolarHBondContact OH-CG 3.42Å
99	Q	58.1	Low	63.5	Low	77 Å²	77	82.2 Å²	82.2	36%	0.36	49%	0.489	S	S	.	.	H	α-helix	trans	-61.2	-42.6	172.7	-68	179.3	25.4	0	0	110.1	L72 I92 P96 S102	L72-Q99 HydrophobicContact CD2-CG 3.75Å; I92-Q99 HydrophobicContact CG2-CG 4.26Å; I92-Q99 VanDerWaalsContact CG2-NE2 3.28Å; P96-Q99 PolarHBondContact O-N 3.14Å; Q99-S102 PolarHBondContact O-OG 2.87Å
100	L	48.6	Very low	60.9	Low	130 Å²	130	88.2 Å²	88.2	68%	0.681	52%	0.52	S	S	*	.	H	α-helix	trans	-71.8	-39.7	178.6	-142	76.5	0	0	0	112.2	G97 Y98 L103 A104	G97-L100 PolarHBondContact O-N 3.15Å; Y98-L100 VanDerWaalsContact C-N 3.26Å; Y98-L100 PolarHBondContact O-N 3.44Å; L100-L103 PolarHBondContact O-N 2.84Å; L100-A104 VanDerWaalsContact O-CB 3.32Å; L100-A104 WeakPolarHBondContact O-CB 3.34Å; L100-A104 PolarHBondContact O-N 2.84Å
101	A	48.3	Very low	58.4	Low	43 Å²	43	91.6 Å²	91.6	36%	0.355	53%	0.533	S	S	.	.	H	α-helix	trans	-62.9	-42	176.5	0	0	0	0	0	111.5	G97 Y98 L103 A104 L105	G97-A101 WeakPolarHBondContact O-CB 3.4Å; G97-A101 PolarHBondContact O-N 3.42Å; Y98-A101 PolarHBondContact O-N 3Å; A101-L103 PolarHBondContact O-N 2.78Å; A101-A104 CarbonylContact O-C 3.43Å; A101-A104 PolarHBondContact O-N 2.8Å; A101-L105 WeakPolarHBondContact O-CG 3.32Å; A101-L105 PolarHBondContact O-N 2.76Å; A101-L105 VanDerWaalsContact O-N 3.16Å
102	S	43.9	Very low	55.9	Low	45 Å²	45	98.2 Å²	98.2	32%	0.315	57%	0.566	S	S	.	*	H	α-helix	trans	-59	-31.8	177.4	85.5	0	0	0	0	112.8	Y98 Q99	Y98-S102 PolarHBondContact O-N 2.91Å; Q99-S102 PolarHBondContact O-OG 2.87Å
103	L	42.9	Very low	53.5	Low	150 Å²	150	105 Å²	105	79%	0.785	60%	0.602	S	S	*	*	H	α-helix	trans	-80.3	-25.3	173.8	-77.3	159.6	0	0	0	113.2	L100 A101	L100-L103 PolarHBondContact O-N 2.84Å; A101-L103 PolarHBondContact O-N 2.78Å
104	A	42.6	Very low	51.3	Low	49 Å²	49	105.3 Å²	105.3	41%	0.405	60%	0.604	S	S	.	*	H	α-helix	trans	-98.5	9	-174	0	0	0	0	0	114.5	L100 A101 T106 S107	L100-A104 VanDerWaalsContact O-CB 3.32Å; L100-A104 WeakPolarHBondContact O-CB 3.34Å; L100-A104 PolarHBondContact O-N 2.84Å; A101-A104 CarbonylContact O-C 3.43Å; A101-A104 PolarHBondContact O-N 2.8Å; A104-T106 PolarHBondContact O-N 3.38Å; A104-S107 PolarHBondContact O-N 2.99Å
105	L	43.9	Very low	49	Very low	136 Å²	136	100.6 Å²	100.6	71%	0.712	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.7	27.1	-176.4	-82.5	168.9	0	0	0	116.3	A101	A101-L105 WeakPolarHBondContact O-CG 3.32Å; A101-L105 PolarHBondContact O-N 2.76Å; A101-L105 VanDerWaalsContact O-N 3.16Å
106	T	39.8	Very low	47.2	Very low	139 Å²	139	99.6 Å²	99.6	85%	0.853	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.6	5.5	171.4	57.7	0	0	0	0	114.4	A104	A104-T106 PolarHBondContact O-N 3.38Å
107	S	35.9	Very low	45.7	Very low	87 Å²	87	102 Å²	102	61%	0.608	58%	0.582	S	S	*	*	S	Bend	trans	-153.6	133.1	179.8	52.2	0	0	0	0	114	A104	A104-S107 PolarHBondContact O-N 2.99Å
108	S	44.1	Very low	44.6	Very low	116 Å²	116	103.4 Å²	103.4	81%	0.811	58%	0.576	S	S	*	*			trans	72.9	104.3	168.2	61.7	0	0	0	0	118.9
109	S	36.3	Very low	44	Very low	103 Å²	103	101 Å²	101	72%	0.72	57%	0.567	S	S	*	*			trans	-49	135.7	146.7	41.8	0	0	0	0	112.7
110	D	40	Very low	44.1	Very low	149 Å²	149	99.6 Å²	99.6	80%	0.797	56%	0.563	S	S	*	*			trans	178.3	138.4	136.7	-82.2	-20.5	0	0	0	110.6
111	E	42.3	Very low	45.7	Very low	156 Å²	156	95.2 Å²	95.2	73%	0.729	54%	0.54	S	S	*	.	S	Bend	trans	74.4	113.7	163.3	-51.7	-56.6	142.7	0	0	121.5
112	E	39.1	Very low	47.7	Very low	178 Å²	178	95.3 Å²	95.3	83%	0.832	53%	0.531	S	S	*	.	S	Bend	trans	32.3	123.9	143.9	-55.9	-170.6	163.5	0	0	119.8
113	D	41.7	Very low	50.1	Low	144 Å²	144	93.8 Å²	93.8	77%	0.77	52%	0.519	S	S	*	.			trans	70.9	62.9	-168.2	-75.1	-18	0	0	0	114.9	P115	D113-P115 WeakPolarHBondContact O-CD 3.32Å
114	N	44.4	Very low	52.8	Low	108 Å²	108	86.7 Å²	86.7	58%	0.578	48%	0.481	S	S	*	.			trans	-64.7	103.2	172.5	-173.4	5.3	0	0	0	110.7	S116	N114-S116 PolarHBondContact ND2-OG 2.86Å; N114-S116 PolarHBondContact O-N 3.11Å; N114-S116 VanDerWaalsContact O-N 3.1Å; N114-S116 WeakPolarHBondContact OD1-CB 3.26Å; N114-S116 PolarHBondContact OD1-N 3.28Å; N114-S116 PolarHBondContact OD1-OG 2.82Å
115	P	42.2	Very low	55.4	Low	30 Å²	30	84.4 Å²	84.4	20%	0.195	46%	0.462	C	S	.	.	G	3₁₀ helix	trans	-70	-11.5	179.9	-0.8	18.4	0	0	0	111.5	Y75 Y98 D113 E117 M118 F119	Y75-P115 HydrophobicContact CD2-CB 4.36Å; Y75-P115 HydrophobicContact CE2-CB 3.47Å; Y75-P115 VanDerWaalsContact CE2-CB 3.47Å; Y75-P115 HydrophobicContact CE2-CG 4.23Å; Y75-P115 WeakPolarHBondContact OH-CB 3.34Å; Y75-P115 VanDerWaalsContact OH-CG 3.3Å; Y75-P115 WeakPolarHBondContact OH-CG 3.46Å; Y98-P115 HydrophobicContact CE1-CG 4.36Å; Y98-P115 WeakPolarHBondContact OH-CG 3.42Å; D113-P115 WeakPolarHBondContact O-CD 3.32Å; P115-E117 VanDerWaalsContact C-N 3.26Å; P115-E117 PolarHBondContact O-N 2.91Å; P115-M118 PolarHBondContact O-N 3.4Å; P115-M118 VanDerWaalsContact O-N 3.16Å; P115-F119 HydrophobicContact CB-CE2 4.25Å; P115-F119 WeakPolarHBondContact O-CD2 3.43Å; P115-F119 WeakPolarHBondContact O-CE2 3.39Å
116	S	48	Very low	58	Low	37 Å²	37	78 Å²	78	26%	0.259	43%	0.429	S	S	.	.	G	3₁₀ helix	trans	-70.6	-13.5	-174.7	75.2	0	0	0	0	115	N114 M118 N120	N114-S116 PolarHBondContact ND2-OG 2.86Å; N114-S116 PolarHBondContact O-N 3.11Å; N114-S116 VanDerWaalsContact O-N 3.1Å; N114-S116 WeakPolarHBondContact OD1-CB 3.26Å; N114-S116 PolarHBondContact OD1-N 3.28Å; N114-S116 PolarHBondContact OD1-OG 2.82Å; S116-M118 VanDerWaalsContact C-N 3.26Å; S116-N120 PolarHBondContact O-ND2 3.39Å
117	E	45.2	Very low	60.8	Low	136 Å²	136	71.3 Å²	71.3	64%	0.636	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-66.4	-33.4	171.2	-77.9	-91.7	124.5	0	0	110.8	P115	P115-E117 VanDerWaalsContact C-N 3.26Å; P115-E117 PolarHBondContact O-N 2.91Å
118	M	45.8	Very low	63.8	Low	79 Å²	79	67.3 Å²	67.3	39%	0.389	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-32.5	-177.8	-147.9	127.1	62.8	0	0	112.9	E78 P115 S116 N120 L121	E78-M118 HydrophobicContact CG-CE 3.98Å; E78-M118 WeakPolarHBondContact OE1-CE 3.37Å; E78-M118 WeakPolarHBondContact OE1-CG 3.19Å; E78-M118 WeakPolarHBondContact OE2-CE 3.4Å; E78-M118 WeakPolarHBondContact OE2-CG 2.95Å; P115-M118 PolarHBondContact O-N 3.4Å; P115-M118 VanDerWaalsContact O-N 3.16Å; S116-M118 VanDerWaalsContact C-N 3.26Å; M118-N120 PolarHBondContact O-N 3.26Å; M118-L121 WeakPolarHBondContact O-CG 3.29Å
119	F	51.8	Low	66.3	Low	29 Å²	29	61.9 Å²	61.9	13%	0.127	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-9.4	178.9	-72.9	-68.9	0	0	0	115	E71 L74 Y75 P115 Q170	E71-F119 WeakPolarHBondContact O-CE1 3.37Å; L74-F119 HydrophobicContact CB-CD1 4.26Å; L74-F119 HydrophobicContact CB-CE1 3.6Å; Y75-F119 HydrophobicContact CD2-CD2 4.42Å; Y75-F119 HydrophobicContact CD2-CE1 4.39Å; Y75-F119 AromaticContact CD2-CE2 3.16Å; Y75-F119 HydrophobicContact CD2-CE2 3.16Å; Y75-F119 AromaticContact CD2-CZ 3.21Å; Y75-F119 HydrophobicContact CD2-CZ 3.21Å; Y75-F119 AromaticContact CE2-CE2 3.83Å; Y75-F119 HydrophobicContact CE2-CE2 3.83Å; Y75-F119 HydrophobicContact CE2-CZ 4.27Å; Y75-F119 HydrophobicContact CG-CE1 4.41Å; Y75-F119 AromaticContact CG-CE2 3.71Å; Y75-F119 HydrophobicContact CG-CE2 3.71Å; Y75-F119 AromaticContact CG-CZ 3.56Å; Y75-F119 HydrophobicContact CG-CZ 3.56Å; Y75-F119 VanDerWaalsContact N-CE1 3.32Å; P115-F119 HydrophobicContact CB-CE2 4.25Å; P115-F119 WeakPolarHBondContact O-CD2 3.43Å; P115-F119 WeakPolarHBondContact O-CE2 3.39Å; F119-Q170 VanDerWaalsContact O-CD 3.27Å; F119-Q170 VanDerWaalsContact O-CG 3.26Å; F119-Q170 WeakPolarHBondContact O-CG 3.41Å; F119-Q170 PolarHBondContact O-NE2 3.1Å; F119-Q170 VanDerWaalsContact O-NE2 3.15Å
120	N	59.7	Low	69.2	Low	48 Å²	48	58.6 Å²	58.6	26%	0.257	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.9	45.1	-173.3	-68.9	-61.9	0	0	0	111.3	S116 M118 Y122 R224	S116-N120 PolarHBondContact O-ND2 3.39Å; M118-N120 PolarHBondContact O-N 3.26Å; N120-Y122 VanDerWaalsContact C-N 3.29Å; N120-Y122 PolarHBondContact O-N 3.46Å; N120-R224 PolarHBondContact ND2-NH1 3.46Å; N120-R224 WeakPolarHBondContact O-CB 3.39Å; N120-R224 WeakPolarHBondContact O-CD 3.43Å
121	L	81.4	Confident	71.9	Confident	38 Å²	38	57 Å²	57	20%	0.199	29%	0.287	C	S	.	.	S	Bend	trans	-57.6	-42.7	179.4	-64.1	173.3	0	0	0	111.4	T50 M118 Q170 A223 R224	T50-L121 WeakPolarHBondContact O-CD1 3.27Å; M118-L121 WeakPolarHBondContact O-CG 3.29Å; L121-Q170 VanDerWaalsContact CB-NE2 3.33Å; L121-A223 CarbonylContact O-C 3.43Å; L121-A223 WeakPolarHBondContact O-CA 3.48Å; L121-R224 PolarHBondContact O-N 3.18Å
122	Y	91.1	Very high	74.3	Confident	45 Å²	45	51.4 Å²	51.4	18%	0.176	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	147.6	-176.4	-65.7	-88.5	0	0	0	112.1	N120 Y166 P173 F221 G222 A223	N120-Y122 VanDerWaalsContact C-N 3.29Å; N120-Y122 PolarHBondContact O-N 3.46Å; Y122-Y166 HydrophobicContact CD2-CD2 4.26Å; Y122-Y166 HydrophobicContact CD2-CG 4.25Å; Y122-Y166 AromaticContact CE2-CD2 3.64Å; Y122-Y166 HydrophobicContact CE2-CD2 3.64Å; Y122-Y166 HydrophobicContact CE2-CG 4.05Å; Y122-P173 WeakPolarHBondContact O-CG 3.13Å; Y122-F221 HydrophobicContact CD1-CE1 4.39Å; Y122-F221 HydrophobicContact CD1-CZ 4.01Å; Y122-F221 HydrophobicContact CG-CZ 4.34Å; Y122-G222 WeakPolarHBondContact CA-O 3.26Å; Y122-A223 HydrophobicContact CE1-CB 4.33Å
123	K	94.9	Very high	76.9	Confident	13 Å²	13	53.7 Å²	53.7	6%	0.057	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	156.4	175	64.7	-173	-172.6	-176.5	0	112.5	V125 P173 I175 F221 G222 R224 V227 D228	K123-V125 HydrophobicContact CD-CG2 4.23Å; K123-V125 HydrophobicContact CG-CG2 4.22Å; K123-P173 HydrophobicContact CB-CG 4.27Å; K123-I175 HydrophobicContact CD-CD1 4.05Å; K123-F221 WeakPolarHBondContact O-CD2 3.39Å; K123-G222 PolarHBondContact N-O 2.84Å; K123-G222 VanDerWaalsContact N-O 3.09Å; K123-G222 PolarHBondContact O-N 2.89Å; K123-R224 HydrophobicContact CD-CB 4.19Å; K123-R224 HydrophobicContact CD-CG 4.13Å; K123-V227 HydrophobicContact CD-CG1 4.42Å; K123-V227 VanDerWaalsContact CE-CG1 3.42Å; K123-V227 HydrophobicContact CG-CB 4.34Å; K123-V227 HydrophobicContact CG-CG1 4.22Å; K123-V227 HydrophobicContact CG-CG2 4.45Å; K123-D228 IonicContact NZ-OD1 3.98Å; K123-D228 PolarHBondContact NZ-OD1 2.87Å; K123-D228 IonicContact NZ-OD2 3.37Å; K123-D228 PolarHBondContact NZ-OD2 3.05Å
124	M	97.9	Very high	79.4	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	128.5	165.5	-71.1	-172.8	-174.9	0	0	109.8	F126 L150 L154 L164 W167 P173 K174 I175 I220 F221	M124-F126 HydrophobicContact CB-CE2 3.96Å; M124-F126 HydrophobicContact CB-CZ 3.8Å; M124-F126 HydrophobicContact SD-CZ 4.34Å; M124-L150 HydrophobicContact CG-CD2 4.43Å; M124-L150 HydrophobicContact SD-CD2 4.43Å; M124-L154 HydrophobicContact CE-CD1 3.92Å; M124-L164 HydrophobicContact CE-CD2 4.2Å; M124-W167 HydrophobicContact CB-CZ2 4.25Å; M124-W167 HydrophobicContact CE-CD2 4.15Å; M124-W167 HydrophobicContact CE-CE3 4.04Å; M124-W167 HydrophobicContact CE-CH2 3.6Å; M124-W167 HydrophobicContact CE-CZ2 3.73Å; M124-W167 HydrophobicContact CE-CZ3 3.78Å; M124-W167 HydrophobicContact CG-CH2 4.48Å; M124-W167 HydrophobicContact CG-CZ2 3.72Å; M124-W167 HydrophobicContact SD-CH2 3.61Å; M124-W167 HydrophobicContact SD-CZ2 3.39Å; M124-W167 WeakPolarHBondContact SD-CZ2 3.36Å; M124-W167 HydrophobicContact SD-CZ3 4.4Å; M124-P173 PolarHBondContact N-O 3.2Å; M124-K174 HydrophobicContact CB-CG 4.31Å; M124-K174 CarbonylContact O-C 3.53Å; M124-K174 VanDerWaalsContact O-CA 3.31Å; M124-K174 WeakPolarHBondContact O-CA 3.37Å; M124-I175 PolarHBondContact O-N 2.9Å; M124-I220 CarbonylContact C-O 3.51Å; M124-I220 WeakPolarHBondContact CA-O 3.35Å; M124-F221 HydrophobicContact CE-CD2 3.87Å; M124-F221 HydrophobicContact CE-CE2 4.29Å; M124-F221 HydrophobicContact CE-CG 4.39Å; M124-F221 HydrophobicContact CG-CB 4.24Å; M124-F221 HydrophobicContact CG-CD2 3.56Å; M124-F221 HydrophobicContact CG-CE2 4.39Å; M124-F221 HydrophobicContact CG-CG 4.34Å
125	V	98.3	Very high	81.8	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.006	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	136.8	177	174.3	0	0	0	0	109.7	K123 V127 I175 L177 S219 I220 V227 T231	K123-V125 HydrophobicContact CD-CG2 4.23Å; K123-V125 HydrophobicContact CG-CG2 4.22Å; V125-V127 HydrophobicContact CG1-CG2 4.18Å; V125-I175 CarbonylContact C-O 3.33Å; V125-I175 WeakPolarHBondContact CA-O 3.47Å; V125-I175 HydrophobicContact CG2-CB 4.32Å; V125-L177 HydrophobicContact CG1-CD1 3.34Å; V125-L177 HydrophobicContact CG1-CG 3.89Å; V125-S219 CarbonylContact O-C 3.59Å; V125-S219 WeakPolarHBondContact O-CA 3.22Å; V125-I220 PolarHBondContact N-O 2.83Å; V125-I220 PolarHBondContact O-N 3.38Å; V125-V227 HydrophobicContact CB-CG1 4.13Å; V125-V227 HydrophobicContact CG2-CG1 3.49Å; V125-V227 VanDerWaalsContact CG2-CG1 3.49Å; V125-T231 HydrophobicContact CG1-CG2 3.97Å
126	F	98.7	Very high	84.3	Confident	1 Å²	1	49.5 Å²	49.5	0%	0.004	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	107.4	179.8	-54	-79.1	0	0	0	109.7	M124 V143 A147 K174 I175 V176 L177 V217 L218 S219	M124-F126 HydrophobicContact CB-CE2 3.96Å; M124-F126 HydrophobicContact CB-CZ 3.8Å; M124-F126 HydrophobicContact SD-CZ 4.34Å; F126-V143 HydrophobicContact CB-CG1 4.15Å; F126-V143 HydrophobicContact CB-CG2 4.3Å; F126-V143 HydrophobicContact CD1-CG1 4.24Å; F126-V143 HydrophobicContact CD2-CG1 3.95Å; F126-V143 HydrophobicContact CE2-CG1 4.47Å; F126-V143 HydrophobicContact CG-CG1 3.82Å; F126-A147 VanDerWaalsContact CE1-CA 3.47Å; F126-A147 HydrophobicContact CE1-CB 3.75Å; F126-A147 HydrophobicContact CZ-CB 3.54Å; F126-K174 HydrophobicContact CE2-CB 3.86Å; F126-K174 HydrophobicContact CE2-CD 4.19Å; F126-K174 HydrophobicContact CE2-CG 3.81Å; F126-K174 HydrophobicContact CZ-CG 4.39Å; F126-I175 PolarHBondContact N-O 3.06Å; F126-V176 HydrophobicContact CB-CG1 4.41Å; F126-V176 HydrophobicContact CB-CG2 4.44Å; F126-V176 HydrophobicContact CD2-CG2 4.32Å; F126-V176 CarbonylContact O-C 3.52Å; F126-V176 WeakPolarHBondContact O-CA 3.25Å; F126-L177 PolarHBondContact O-N 3.43Å; F126-V217 HydrophobicContact CB-CG1 4.05Å; F126-V217 HydrophobicContact CD1-CG1 4.44Å; F126-L218 CarbonylContact C-O 3.48Å; F126-L218 WeakPolarHBondContact CA-O 3.29Å; F126-S219 WeakPolarHBondContact CD1-OG 3.3Å
127	V	98.7	Very high	86.5	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	110	178.7	-174.2	0	0	0	0	109.2	V125 L177 G179 L185 L188 V217 L218 T231 L234	V125-V127 HydrophobicContact CG1-CG2 4.18Å; V127-L177 WeakPolarHBondContact CA-O 3.47Å; V127-L177 HydrophobicContact CG2-CB 4.46Å; V127-G179 VanDerWaalsContact CG1-CA 3.49Å; V127-L185 HydrophobicContact CG1-CD1 4.15Å; V127-L185 HydrophobicContact CG1-CG 4.36Å; V127-L188 HydrophobicContact CG1-CD1 3.91Å; V127-L188 HydrophobicContact CG2-CD1 4.39Å; V127-V217 WeakPolarHBondContact O-CA 3.48Å; V127-L218 HydrophobicContact CB-CB 4.37Å; V127-L218 PolarHBondContact N-O 3.1Å; V127-L218 PolarHBondContact O-N 2.54Å; V127-T231 HydrophobicContact CG2-CG2 4.25Å; V127-L234 HydrophobicContact CG1-CD1 3.97Å; V127-L234 HydrophobicContact CG2-CD1 3.74Å
128	V	98.4	Very high	88.8	Confident	2 Å²	2	45.9 Å²	45.9	1%	0.012	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	129.8	-175.7	179.8	0	0	0	0	110.8	S130 M134 I139 V143 V176 L177 G179 V217 L237	V128-S130 PolarHBondContact O-N 3Å; V128-S130 VanDerWaalsContact O-N 3.13Å; V128-M134 HydrophobicContact CG1-CE 3.65Å; V128-I139 HydrophobicContact CG1-CG1 4.34Å; V128-I139 HydrophobicContact CG1-CG2 4.4Å; V128-I139 HydrophobicContact CG2-CG2 4.33Å; V128-V143 HydrophobicContact CG2-CG2 3.84Å; V128-V176 HydrophobicContact CG2-CG1 3.59Å; V128-L177 PolarHBondContact N-O 3.38Å; V128-G179 CarbonylContact O-C 3.58Å; V128-G179 VanDerWaalsContact O-CA 3.26Å; V128-G179 WeakPolarHBondContact O-CA 3.49Å; V128-G179 PolarHBondContact O-N 2.91Å; V128-V217 HydrophobicContact CG2-CG2 4.14Å; V128-L237 HydrophobicContact CB-CD1 4.18Å; V128-L237 HydrophobicContact CB-CD2 4.09Å; V128-L237 HydrophobicContact CG1-CD1 4.42Å; V128-L237 HydrophobicContact CG1-CD2 4.33Å; V128-L237 HydrophobicContact CG2-CD2 3.83Å
129	N	97.6	Very high	91.1	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.011	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	105.7	176.5	-176	-9	0	0	0	111.4	E131 L132 N181 A182 L185 F215 T216	N129-E131 WeakPolarHBondContact OD1-CB 3.49Å; N129-E131 PolarHBondContact OD1-N 3.43Å; N129-E131 VanDerWaalsContact OD1-N 3.13Å; N129-L132 HydrophobicContact CB-CD1 3.99Å; N129-L132 HydrophobicContact CB-CG 4.23Å; N129-N181 VanDerWaalsContact OD1-CA 3.26Å; N129-N181 WeakPolarHBondContact OD1-CA 3.1Å; N129-A182 PolarHBondContact ND2-N 2.92Å; N129-L185 HydrophobicContact CB-CD1 4.11Å; N129-L185 HydrophobicContact CB-CD2 3.98Å; N129-F215 WeakPolarHBondContact CB-O 3.48Å; N129-F215 PolarHBondContact ND2-O 2.94Å; N129-T216 WeakPolarHBondContact CB-O 3.41Å; N129-T216 PolarHBondContact N-O 2.92Å
130	S	96.7	Very high	93.3	Very high	35 Å²	35	45.4 Å²	45.4	25%	0.245	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-76.1	-22.2	-176.5	-59	0	0	0	0	114.5	V128 L132 R133 K178 G179	V128-S130 PolarHBondContact O-N 3Å; V128-S130 VanDerWaalsContact O-N 3.13Å; S130-L132 PolarHBondContact O-N 3.07Å; S130-R133 PolarHBondContact O-N 2.87Å; S130-R133 VanDerWaalsContact O-N 3.15Å; S130-K178 WeakPolarHBondContact OG-CE 3.48Å; S130-K178 WeakPolarHBondContact OG-CG 3.36Å; S130-G179 WeakPolarHBondContact CB-O 3.39Å; S130-G179 PolarHBondContact N-O 3.13Å; S130-G179 PolarHBondContact OG-O 3.46Å
131	E	95.8	Very high	95	Very high	116 Å²	116	45.5 Å²	45.5	54%	0.542	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-58.5	-31.8	177.1	-178.7	176.1	-114.8	0	0	111.7	N129 R133 R180 N181	N129-E131 WeakPolarHBondContact OD1-CB 3.49Å; N129-E131 PolarHBondContact OD1-N 3.43Å; N129-E131 VanDerWaalsContact OD1-N 3.13Å; E131-R133 PolarHBondContact O-N 3.48Å; E131-R180 WeakPolarHBondContact CB-O 3.42Å; E131-R180 PolarHBondContact N-O 3.07Å; E131-R180 VanDerWaalsContact N-O 3.16Å; E131-N181 HydrophobicContact CB-CB 4.14Å; E131-N181 WeakPolarHBondContact OE2-CB 3.26Å
132	L	94	Very high	95.6	Very high	38 Å²	38	44.5 Å²	44.5	20%	0.199	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-74.2	-8.3	-177.9	-57.8	-179.6	0	0	0	114.1	N129 S130 M134 V210 T216	N129-L132 HydrophobicContact CB-CD1 3.99Å; N129-L132 HydrophobicContact CB-CG 4.23Å; S130-L132 PolarHBondContact O-N 3.07Å; L132-M134 HydrophobicContact CB-CG 3.92Å; L132-M134 HydrophobicContact CD1-CE 4.5Å; L132-M134 PolarHBondContact O-N 3.47Å; L132-V210 HydrophobicContact CB-CG2 4.09Å; L132-V210 HydrophobicContact CD1-CG1 4.03Å; L132-V210 HydrophobicContact CD2-CG1 3.95Å; L132-V210 HydrophobicContact CG-CG1 4.42Å; L132-T216 HydrophobicContact CD1-CG2 3.78Å
133	R	93.8	Very high	95.9	Very high	225 Å²	225	43.4 Å²	43.4	85%	0.849	26%	0.257	S	S	*	.			trans	44.9	41.2	178.3	-59.1	-176.9	-178.1	-168.6	0	113.6	S130 E131	S130-R133 PolarHBondContact O-N 2.87Å; S130-R133 VanDerWaalsContact O-N 3.15Å; E131-R133 PolarHBondContact O-N 3.48Å
134	M	93.3	Very high	96.1	Very high	19 Å²	19	44.7 Å²	44.7	9%	0.094	27%	0.274	C	S	.	.			trans	-63.3	139.7	-177.8	-65.7	-174.5	-72.9	0	0	110.9	V128 L132 K138 I139 Q142 V210 T216	V128-M134 HydrophobicContact CG1-CE 3.65Å; L132-M134 HydrophobicContact CB-CG 3.92Å; L132-M134 HydrophobicContact CD1-CE 4.5Å; L132-M134 PolarHBondContact O-N 3.47Å; M134-K138 HydrophobicContact CB-CB 4.34Å; M134-K138 HydrophobicContact CB-CD 4.23Å; M134-K138 HydrophobicContact CB-CG 4.35Å; M134-K138 HydrophobicContact CG-CD 3.98Å; M134-K138 HydrophobicContact CG-CG 4.4Å; M134-K138 HydrophobicContact SD-CD 4.06Å; M134-K138 HydrophobicContact SD-CG 4.14Å; M134-I139 HydrophobicContact CB-CD1 4.34Å; M134-I139 HydrophobicContact CB-CG1 3.67Å; M134-I139 HydrophobicContact CE-CG1 4.39Å; M134-I139 WeakPolarHBondContact O-CD1 3.39Å; M134-Q142 HydrophobicContact SD-CG 4.13Å; M134-V210 HydrophobicContact CG-CG2 4.1Å; M134-T216 HydrophobicContact CE-CG2 4.44Å; M134-T216 HydrophobicContact SD-CG2 3.94Å
135	G	93.8	Very high	96	Very high	47 Å²	47	49.6 Å²	49.6	49%	0.485	30%	0.296	S	S	.	.			trans	-68	159.8	171.4	0	0	0	0	0	112.3	G137 K138 I139	G135-G137 VanDerWaalsContact C-N 3.34Å; G135-G137 PolarHBondContact O-N 2.9Å; G135-K138 WeakPolarHBondContact O-CA 3.36Å; G135-K138 WeakPolarHBondContact O-CB 3.39Å; G135-K138 PolarHBondContact O-N 3.22Å; G135-I139 PolarHBondContact O-N 3.07Å
136	V	95.8	Very high	95.9	Very high	128 Å²	128	49.6 Å²	49.6	78%	0.776	30%	0.296	S	S	*	.	H	α-helix	trans	-53.9	-45.3	-172.6	-152.3	0	0	0	0	113	K138 I139 A140	V136-K138 VanDerWaalsContact C-N 3.32Å; V136-K138 PolarHBondContact O-N 2.91Å; V136-I139 PolarHBondContact O-N 2.98Å; V136-A140 PolarHBondContact O-N 3.34Å
137	G	94.6	Very high	95.9	Very high	60 Å²	60	50.4 Å²	50.4	62%	0.619	30%	0.303	S	S	*	.	H	α-helix	trans	-65.9	-34	178.5	0	0	0	0	0	113.3	G135 A141	G135-G137 VanDerWaalsContact C-N 3.34Å; G135-G137 PolarHBondContact O-N 2.9Å; G137-A141 PolarHBondContact O-N 2.96Å
138	K	92.1	Very high	95.8	Very high	37 Å²	37	55 Å²	55	16%	0.161	33%	0.327	C	S	.	.	H	α-helix	trans	-71.6	-42.3	176.2	-173.5	175.6	178.9	-168.9	0	111.2	M134 G135 V136 A140 A141 Q142 D204 T208	M134-K138 HydrophobicContact CB-CB 4.34Å; M134-K138 HydrophobicContact CB-CD 4.23Å; M134-K138 HydrophobicContact CB-CG 4.35Å; M134-K138 HydrophobicContact CG-CD 3.98Å; M134-K138 HydrophobicContact CG-CG 4.4Å; M134-K138 HydrophobicContact SD-CD 4.06Å; M134-K138 HydrophobicContact SD-CG 4.14Å; G135-K138 WeakPolarHBondContact O-CA 3.36Å; G135-K138 WeakPolarHBondContact O-CB 3.39Å; G135-K138 PolarHBondContact O-N 3.22Å; V136-K138 VanDerWaalsContact C-N 3.32Å; V136-K138 PolarHBondContact O-N 2.91Å; K138-A140 VanDerWaalsContact C-N 3.32Å; K138-A140 PolarHBondContact O-N 2.88Å; K138-A141 PolarHBondContact O-N 3.36Å; K138-Q142 HydrophobicContact CG-CG 4.39Å; K138-Q142 WeakPolarHBondContact O-CG 3.35Å; K138-Q142 PolarHBondContact O-N 2.96Å; K138-D204 WeakPolarHBondContact CE-OD1 3.25Å; K138-D204 IonicContact NZ-OD1 2.88Å; K138-D204 PolarHBondContact NZ-OD1 3.03Å; K138-T208 HydrophobicContact CD-CG2 4.13Å; K138-T208 VanDerWaalsContact CE-OG1 3.28Å; K138-T208 WeakPolarHBondContact CE-OG1 3.14Å; K138-T208 PolarHBondContact NZ-OG1 3.01Å
139	I	95.6	Very high	95.8	Very high	34 Å²	34	55.1 Å²	55.1	17%	0.174	33%	0.329	C	S	.	.	H	α-helix	trans	-56.3	-49.9	173.2	-68.4	173.6	0	0	0	110	V128 M134 G135 V136 A141 Q142 V143 L237	V128-I139 HydrophobicContact CG1-CG1 4.34Å; V128-I139 HydrophobicContact CG1-CG2 4.4Å; V128-I139 HydrophobicContact CG2-CG2 4.33Å; M134-I139 HydrophobicContact CB-CD1 4.34Å; M134-I139 HydrophobicContact CB-CG1 3.67Å; M134-I139 HydrophobicContact CE-CG1 4.39Å; M134-I139 WeakPolarHBondContact O-CD1 3.39Å; G135-I139 PolarHBondContact O-N 3.07Å; V136-I139 PolarHBondContact O-N 2.98Å; I139-A141 VanDerWaalsContact C-N 3.31Å; I139-A141 PolarHBondContact O-N 3.42Å; I139-Q142 PolarHBondContact O-N 3.24Å; I139-V143 HydrophobicContact CG2-CG2 4.28Å; I139-V143 WeakPolarHBondContact O-CB 3.48Å; I139-V143 WeakPolarHBondContact O-CG2 3.43Å; I139-V143 PolarHBondContact O-N 2.86Å; I139-L237 HydrophobicContact CD1-CD2 4.28Å; I139-L237 HydrophobicContact CG2-CD2 3.53Å
140	A	96.8	Very high	95.8	Very high	65 Å²	65	55 Å²	55	54%	0.537	33%	0.329	S	S	.	.	H	α-helix	trans	-57.4	-43.7	178.8	0	0	0	0	0	112.1	V136 K138 G144	V136-A140 PolarHBondContact O-N 3.34Å; K138-A140 VanDerWaalsContact C-N 3.32Å; K138-A140 PolarHBondContact O-N 2.88Å; A140-G144 PolarHBondContact O-N 3.31Å
141	A	95	Very high	95.8	Very high	49 Å²	49	56.9 Å²	56.9	41%	0.405	33%	0.331	S	S	.	.	H	α-helix	trans	-62.5	-47	176	0	0	0	0	0	112.5	G137 K138 I139 G144 H145	G137-A141 PolarHBondContact O-N 2.96Å; K138-A141 PolarHBondContact O-N 3.36Å; I139-A141 VanDerWaalsContact C-N 3.31Å; I139-A141 PolarHBondContact O-N 3.42Å; A141-G144 PolarHBondContact O-N 3.17Å; A141-H145 PolarHBondContact O-CD2 2.99Å; A141-H145 PolarHBondContact O-N 2.82Å
142	Q	95.2	Very high	95.9	Very high	18 Å²	18	55.1 Å²	55.1	8%	0.084	32%	0.323	C	S	.	.	H	α-helix	trans	-67.4	-38.2	-179.4	-62.3	-55.7	87.4	0	0	112.4	M134 K138 I139 G144 H145 G146 V202 T216 V217	M134-Q142 HydrophobicContact SD-CG 4.13Å; K138-Q142 HydrophobicContact CG-CG 4.39Å; K138-Q142 WeakPolarHBondContact O-CG 3.35Å; K138-Q142 PolarHBondContact O-N 2.96Å; I139-Q142 PolarHBondContact O-N 3.24Å; Q142-G144 VanDerWaalsContact C-N 3.34Å; Q142-H145 PolarHBondContact O-N 3.14Å; Q142-G146 PolarHBondContact O-N 3.15Å; Q142-V202 HydrophobicContact CB-CG1 4.45Å; Q142-T216 HydrophobicContact CG-CG2 4.39Å; Q142-T216 PolarHBondContact NE2-OG1 3.36Å; Q142-V217 HydrophobicContact CB-CG2 3.63Å
143	V	97.9	Very high	96	Very high	22 Å²	22	55.3 Å²	55.3	13%	0.133	32%	0.324	C	S	.	.	H	α-helix	trans	-64.7	-40.7	172.6	171.7	0	0	0	0	110.5	F126 V128 I139 H145 G146 A147 V176 V217	F126-V143 HydrophobicContact CB-CG1 4.15Å; F126-V143 HydrophobicContact CB-CG2 4.3Å; F126-V143 HydrophobicContact CD1-CG1 4.24Å; F126-V143 HydrophobicContact CD2-CG1 3.95Å; F126-V143 HydrophobicContact CE2-CG1 4.47Å; F126-V143 HydrophobicContact CG-CG1 3.82Å; V128-V143 HydrophobicContact CG2-CG2 3.84Å; I139-V143 HydrophobicContact CG2-CG2 4.28Å; I139-V143 WeakPolarHBondContact O-CB 3.48Å; I139-V143 WeakPolarHBondContact O-CG2 3.43Å; I139-V143 PolarHBondContact O-N 2.86Å; V143-H145 PolarHBondContact O-N 3.21Å; V143-G146 PolarHBondContact O-N 2.8Å; V143-G146 VanDerWaalsContact O-N 3.17Å; V143-A147 WeakPolarHBondContact O-CB 3.36Å; V143-A147 PolarHBondContact O-N 3.37Å; V143-V176 HydrophobicContact CG1-CG2 4.08Å; V143-V176 HydrophobicContact CG2-CG1 4.02Å; V143-V176 HydrophobicContact CG2-CG2 4.48Å; V143-V217 HydrophobicContact CG2-CG2 4.41Å
144	G	97.5	Very high	96.1	Very high	40 Å²	40	44.6 Å²	44.6	41%	0.412	28%	0.283	S	S	.	.	H	α-helix	trans	-59.3	-43.3	173.1	0	0	0	0	0	112.9	A140 A141 Q142 A147 L148	A140-G144 PolarHBondContact O-N 3.31Å; A141-G144 PolarHBondContact O-N 3.17Å; Q142-G144 VanDerWaalsContact C-N 3.34Å; G144-A147 PolarHBondContact O-N 3.06Å; G144-L148 PolarHBondContact O-N 3.09Å; G144-L148 VanDerWaalsContact O-N 3.07Å
145	H	95.4	Very high	96.1	Very high	103 Å²	103	48 Å²	48	48%	0.477	30%	0.299	S	S	.	.	H	α-helix	trans	-61.5	-41.9	172.6	-76.2	-58.2	0	0	0	112.3	A141 Q142 V143 G149 V202	A141-H145 PolarHBondContact O-CD2 2.99Å; A141-H145 PolarHBondContact O-N 2.82Å; Q142-H145 PolarHBondContact O-N 3.14Å; V143-H145 PolarHBondContact O-N 3.21Å; H145-G149 PolarHBondContact O-N 2.94Å; H145-V202 HydrophobicContact CB-CG1 4Å; H145-V202 HydrophobicContact CB-CG2 4.42Å
146	G	97.6	Very high	96.1	Very high	0 Å²	0	54 Å²	54	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-62.7	-47	177	0	0	0	0	0	112.8	Q142 V143 G149 L150 V202 S219	Q142-G146 PolarHBondContact O-N 3.15Å; V143-G146 PolarHBondContact O-N 2.8Å; V143-G146 VanDerWaalsContact O-N 3.17Å; G146-G149 PolarHBondContact O-N 2.83Å; G146-L150 VanDerWaalsContact O-CB 3.28Å; G146-L150 WeakPolarHBondContact O-CB 3.04Å; G146-L150 PolarHBondContact O-N 2.75Å; G146-V202 VanDerWaalsContact CA-CG2 3.41Å; G146-S219 WeakPolarHBondContact CA-OG 3.31Å; G146-S219 PolarHBondContact O-OG 2.84Å
147	A	98.2	Very high	95.9	Very high	19 Å²	19	50.6 Å²	50.6	16%	0.157	28%	0.283	C	S	.	.	H	α-helix	trans	-61.6	-48.8	179.4	0	0	0	0	0	111.9	F126 V143 G144 Y151	F126-A147 VanDerWaalsContact CE1-CA 3.47Å; F126-A147 HydrophobicContact CE1-CB 3.75Å; F126-A147 HydrophobicContact CZ-CB 3.54Å; V143-A147 WeakPolarHBondContact O-CB 3.36Å; V143-A147 PolarHBondContact O-N 3.37Å; G144-A147 PolarHBondContact O-N 3.06Å; A147-Y151 VanDerWaalsContact O-CB 3.25Å; A147-Y151 WeakPolarHBondContact O-CB 3.23Å; A147-Y151 PolarHBondContact O-N 3.02Å
148	L	97.7	Very high	95.7	Very high	95 Å²	95	51.8 Å²	51.8	50%	0.497	28%	0.279	S	S	.	.	H	α-helix	trans	-68.1	-42.2	-180	-177.6	61.8	0	0	0	111.7	G144 Y151 Q152	G144-L148 PolarHBondContact O-N 3.09Å; G144-L148 VanDerWaalsContact O-N 3.07Å; L148-Y151 PolarHBondContact O-N 2.58Å; L148-Q152 HydrophobicContact CD1-CG 4.22Å; L148-Q152 HydrophobicContact CG-CG 4.48Å; L148-Q152 WeakPolarHBondContact O-CB 3.37Å; L148-Q152 VanDerWaalsContact O-CG 3.27Å; L148-Q152 WeakPolarHBondContact O-CG 3.35Å; L148-Q152 PolarHBondContact O-N 2.88Å
149	G	97.3	Very high	95.5	Very high	6 Å²	6	56.1 Å²	56.1	6%	0.062	30%	0.3	C	S	.	.	H	α-helix	trans	-62.3	-46.7	178.8	0	0	0	0	0	112.6	H145 G146 Q152 L153	H145-G149 PolarHBondContact O-N 2.94Å; G146-G149 PolarHBondContact O-N 2.83Å; G149-Q152 PolarHBondContact O-N 3.2Å; G149-L153 WeakPolarHBondContact O-CB 3.36Å; G149-L153 PolarHBondContact O-N 3Å
150	L	97.9	Very high	95.2	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-64	-45.2	176.3	-176.1	53.8	0	0	0	111.7	M124 G146 Q152 L153 L154 Y200 F221	M124-L150 HydrophobicContact CG-CD2 4.43Å; M124-L150 HydrophobicContact SD-CD2 4.43Å; G146-L150 VanDerWaalsContact O-CB 3.28Å; G146-L150 WeakPolarHBondContact O-CB 3.04Å; G146-L150 PolarHBondContact O-N 2.75Å; L150-Q152 PolarHBondContact O-N 3.24Å; L150-L153 WeakPolarHBondContact O-CB 3.45Å; L150-L153 PolarHBondContact O-N 3.2Å; L150-L154 HydrophobicContact CD1-CD1 4.13Å; L150-L154 HydrophobicContact CD1-CG 4.16Å; L150-L154 HydrophobicContact CG-CD1 3.94Å; L150-L154 HydrophobicContact CG-CG 4.45Å; L150-L154 VanDerWaalsContact O-CG 3.25Å; L150-L154 WeakPolarHBondContact O-CG 2.96Å; L150-L154 PolarHBondContact O-N 2.98Å; L150-Y200 HydrophobicContact CB-CG 4.43Å; L150-F221 HydrophobicContact CD1-CB 4.4Å; L150-F221 HydrophobicContact CD2-CB 3.72Å; L150-F221 HydrophobicContact CG-CB 4.2Å
151	Y	97.5	Very high	94.7	Very high	73 Å²	73	59.6 Å²	59.6	29%	0.286	30%	0.3	S	S	.	.	H	α-helix	trans	-58.8	-46.3	177.3	179.9	-102	0	0	0	112.1	A147 L148 L153 L154 Q155 L164 W167	A147-Y151 VanDerWaalsContact O-CB 3.25Å; A147-Y151 WeakPolarHBondContact O-CB 3.23Å; A147-Y151 PolarHBondContact O-N 3.02Å; L148-Y151 PolarHBondContact O-N 2.58Å; Y151-L153 VanDerWaalsContact C-N 3.32Å; Y151-L153 PolarHBondContact O-N 3.02Å; Y151-L154 PolarHBondContact O-N 3.27Å; Y151-Q155 HydrophobicContact CD1-CG 4.16Å; Y151-Q155 HydrophobicContact CE1-CG 3.78Å; Y151-Q155 VanDerWaalsContact CE1-OE1 3.24Å; Y151-Q155 HydrophobicContact CE2-CG 4.21Å; Y151-Q155 VanDerWaalsContact CZ-CD 3.44Å; Y151-Q155 VanDerWaalsContact CZ-NE2 3.3Å; Y151-Q155 WeakPolarHBondContact O-CB 3.04Å; Y151-Q155 WeakPolarHBondContact O-CG 3.08Å; Y151-Q155 PolarHBondContact O-N 2.88Å; Y151-Q155 PolarHBondContact OH-NE2 3.27Å; Y151-L164 HydrophobicContact CD2-CD2 4.05Å; Y151-L164 HydrophobicContact CE2-CD2 4.26Å; Y151-W167 HydrophobicContact CD2-CZ3 4.21Å; Y151-W167 HydrophobicContact CE2-CZ3 4.46Å
152	Q	96.8	Very high	94.1	Very high	79 Å²	79	59.5 Å²	59.5	37%	0.369	29%	0.291	S	S	.	.	H	α-helix	trans	-64.6	-34.7	177	-72.5	179.5	-1.6	0	0	112.8	L148 G149 L150 R156	L148-Q152 HydrophobicContact CD1-CG 4.22Å; L148-Q152 HydrophobicContact CG-CG 4.48Å; L148-Q152 WeakPolarHBondContact O-CB 3.37Å; L148-Q152 VanDerWaalsContact O-CG 3.27Å; L148-Q152 WeakPolarHBondContact O-CG 3.35Å; L148-Q152 PolarHBondContact O-N 2.88Å; G149-Q152 PolarHBondContact O-N 3.2Å; L150-Q152 PolarHBondContact O-N 3.24Å; Q152-R156 VanDerWaalsContact C-NH1 3.28Å; Q152-R156 WeakPolarHBondContact O-CG 3.21Å; Q152-R156 PolarHBondContact O-NH1 3.39Å
153	L	96.2	Very high	93.7	Very high	43 Å²	43	59.2 Å²	59.2	23%	0.225	29%	0.291	C	S	.	.	H	α-helix	trans	-62.8	-52.4	174.4	-179.3	67.3	0	0	0	110.4	G149 L150 Y151 Q155 R156 C199	G149-L153 WeakPolarHBondContact O-CB 3.36Å; G149-L153 PolarHBondContact O-N 3Å; L150-L153 WeakPolarHBondContact O-CB 3.45Å; L150-L153 PolarHBondContact O-N 3.2Å; Y151-L153 VanDerWaalsContact C-N 3.32Å; Y151-L153 PolarHBondContact O-N 3.02Å; L153-Q155 VanDerWaalsContact C-N 3.33Å; L153-Q155 PolarHBondContact O-N 2.97Å; L153-R156 PolarHBondContact O-N 3.28Å; L153-R156 VanDerWaalsContact O-N 3.1Å; L153-C199 WeakPolarHBondContact CD2-O 3.16Å
154	L	96.2	Very high	93.4	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-61.3	-38.8	179.8	-65.7	167.6	0	0	0	112.4	M124 L150 Y151 R156 Q157 H160 L164 S198 F221	M124-L154 HydrophobicContact CE-CD1 3.92Å; L150-L154 HydrophobicContact CD1-CD1 4.13Å; L150-L154 HydrophobicContact CD1-CG 4.16Å; L150-L154 HydrophobicContact CG-CD1 3.94Å; L150-L154 HydrophobicContact CG-CG 4.45Å; L150-L154 VanDerWaalsContact O-CG 3.25Å; L150-L154 WeakPolarHBondContact O-CG 2.96Å; L150-L154 PolarHBondContact O-N 2.98Å; Y151-L154 PolarHBondContact O-N 3.27Å; L154-R156 PolarHBondContact O-N 3.4Å; L154-R156 VanDerWaalsContact O-N 3.17Å; L154-Q157 PolarHBondContact O-N 2.77Å; L154-H160 HydrophobicContact CB-CB 4.24Å; L154-H160 HydrophobicContact CD2-CB 3.99Å; L154-H160 WeakPolarHBondContact CD2-CD2 3.41Å; L154-H160 VanDerWaalsContact CD2-CG 3.49Å; L154-L164 HydrophobicContact CB-CD1 3.64Å; L154-L164 HydrophobicContact CB-CD2 4.05Å; L154-L164 HydrophobicContact CB-CG 4Å; L154-L164 HydrophobicContact CD1-CD2 3.71Å; L154-L164 HydrophobicContact CD1-CG 4.41Å; L154-S198 VanDerWaalsContact CD2-CB 3.45Å; L154-S198 WeakPolarHBondContact CD2-OG 3.35Å; L154-F221 HydrophobicContact CD1-CB 3.81Å; L154-F221 HydrophobicContact CD1-CD1 3.43Å; L154-F221 VanDerWaalsContact CD1-CD1 3.43Å; L154-F221 HydrophobicContact CD1-CD2 4.29Å; L154-F221 HydrophobicContact CD1-CE1 4.02Å; L154-F221 HydrophobicContact CD1-CG 3.57Å; L154-F221 HydrophobicContact CD2-CD1 3.75Å; L154-F221 HydrophobicContact CD2-CE1 4.36Å; L154-F221 HydrophobicContact CG-CD1 4.26Å
155	Q	94	Very high	92.7	Very high	90 Å²	90	58 Å²	58	42%	0.421	28%	0.281	S	S	.	.	H	α-helix	trans	-63.3	-19.3	177.4	-80.1	-161.4	-47.8	0	0	114.2	Y151 L153 Q157 Y161 L164	Y151-Q155 HydrophobicContact CD1-CG 4.16Å; Y151-Q155 HydrophobicContact CE1-CG 3.78Å; Y151-Q155 VanDerWaalsContact CE1-OE1 3.24Å; Y151-Q155 HydrophobicContact CE2-CG 4.21Å; Y151-Q155 VanDerWaalsContact CZ-CD 3.44Å; Y151-Q155 VanDerWaalsContact CZ-NE2 3.3Å; Y151-Q155 WeakPolarHBondContact O-CB 3.04Å; Y151-Q155 WeakPolarHBondContact O-CG 3.08Å; Y151-Q155 PolarHBondContact O-N 2.88Å; Y151-Q155 PolarHBondContact OH-NE2 3.27Å; L153-Q155 VanDerWaalsContact C-N 3.33Å; L153-Q155 PolarHBondContact O-N 2.97Å; Q155-Q157 VanDerWaalsContact C-N 3.33Å; Q155-Y161 WeakPolarHBondContact O-CE1 3.44Å; Q155-L164 HydrophobicContact CG-CD1 4.03Å
156	R	93.6	Very high	92.1	Very high	172 Å²	172	53.3 Å²	53.3	65%	0.649	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-5.2	177.3	-66.4	177.3	-173.4	104.8	-4.6	112.9	Q152 L153 L154	Q152-R156 VanDerWaalsContact C-NH1 3.28Å; Q152-R156 WeakPolarHBondContact O-CG 3.21Å; Q152-R156 PolarHBondContact O-NH1 3.39Å; L153-R156 PolarHBondContact O-N 3.28Å; L153-R156 VanDerWaalsContact O-N 3.1Å; L154-R156 PolarHBondContact O-N 3.4Å; L154-R156 VanDerWaalsContact O-N 3.17Å
157	Q	91.4	Very high	91.7	Very high	58 Å²	58	53.6 Å²	53.6	27%	0.271	26%	0.26	S	S	.	.			trans	-114.7	104	-173.2	-77.9	176	-36.3	0	0	109.4	L154 Q155 E159 H160	L154-Q157 PolarHBondContact O-N 2.77Å; Q155-Q157 VanDerWaalsContact C-N 3.33Å; Q157-E159 VanDerWaalsContact C-OE2 3.26Å; Q157-E159 HydrophobicContact CB-CG 4.36Å; Q157-E159 PolarHBondContact O-N 2.54Å; Q157-E159 VanDerWaalsContact O-N 3.16Å; Q157-H160 PolarHBondContact O-N 2.77Å; Q157-H160 PolarHBondContact OE1-CD2 3.18Å; Q157-H160 PolarHBondContact OE1-NE2 2.95Å
158	P	89	Confident	91.1	Very high	84 Å²	84	54.8 Å²	54.8	55%	0.545	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-54.2	-33.1	-177.1	-27.5	35.9	0	0	0	114.4	H160 Y161	P158-H160 PolarHBondContact O-N 2.92Å; P158-H160 VanDerWaalsContact O-N 3.15Å; P158-Y161 HydrophobicContact CB-CD2 4.49Å; P158-Y161 HydrophobicContact CB-CE2 4.25Å; P158-Y161 WeakPolarHBondContact O-CB 3.13Å; P158-Y161 PolarHBondContact O-N 2.78Å; P158-Y161 VanDerWaalsContact O-N 3.14Å
159	E	88.9	Confident	90.2	Very high	129 Å²	129	51.2 Å²	51.2	60%	0.603	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-59.4	-22	176.3	64.1	-88.1	-152.4	0	0	113.4	Q157	Q157-E159 VanDerWaalsContact C-OE2 3.26Å; Q157-E159 HydrophobicContact CB-CG 4.36Å; Q157-E159 PolarHBondContact O-N 2.54Å; Q157-E159 VanDerWaalsContact O-N 3.16Å
160	H	89.9	Confident	89.3	Confident	33 Å²	33	51.7 Å²	51.7	15%	0.153	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-96.6	-7.6	179.2	-68.5	-54.2	0	0	0	114.5	L154 Q157 P158 E162 S163 L164 S198	L154-H160 HydrophobicContact CB-CB 4.24Å; L154-H160 HydrophobicContact CD2-CB 3.99Å; L154-H160 WeakPolarHBondContact CD2-CD2 3.41Å; L154-H160 VanDerWaalsContact CD2-CG 3.49Å; Q157-H160 PolarHBondContact O-N 2.77Å; Q157-H160 PolarHBondContact OE1-CD2 3.18Å; Q157-H160 PolarHBondContact OE1-NE2 2.95Å; P158-H160 PolarHBondContact O-N 2.92Å; P158-H160 VanDerWaalsContact O-N 3.15Å; H160-E162 PolarHBondContact O-N 2.92Å; H160-S163 WeakPolarHBondContact CA-OG 3.26Å; H160-S163 PolarHBondContact O-N 2.89Å; H160-S163 PolarHBondContact O-OG 3.43Å; H160-L164 WeakPolarHBondContact O-CB 3.41Å; H160-L164 PolarHBondContact O-N 3.37Å; H160-S198 PolarHBondContact CE1-OG 2.85Å; H160-S198 PolarHBondContact NE2-OG 2.92Å
161	Y	85.4	Confident	88.6	Confident	139 Å²	139	53.8 Å²	53.8	55%	0.545	27%	0.27	S	S	.	.	H	α-helix	trans	-53.7	-42.2	-176.1	-74.7	-1.3	0	0	0	112.9	Q155 P158 G165	Q155-Y161 WeakPolarHBondContact O-CE1 3.44Å; P158-Y161 HydrophobicContact CB-CD2 4.49Å; P158-Y161 HydrophobicContact CB-CE2 4.25Å; P158-Y161 WeakPolarHBondContact O-CB 3.13Å; P158-Y161 PolarHBondContact O-N 2.78Å; P158-Y161 VanDerWaalsContact O-N 3.14Å; Y161-G165 PolarHBondContact O-N 2.93Å
162	E	82.3	Confident	88.3	Confident	47 Å²	47	54.3 Å²	54.3	22%	0.22	28%	0.275	C	S	.	.	H	α-helix	trans	-71.9	-50.1	-180	176.7	143.5	-174	0	0	112.5	H51 H160 L164 G165 Y166	H51-E162 IonicContact CD2-OE1 2.84Å; H51-E162 PolarHBondContact CD2-OE1 2.63Å; H51-E162 IonicContact CD2-OE2 2.8Å; H51-E162 IonicContact CE1-OE1 3.15Å; H51-E162 PolarHBondContact CE1-OE1 3.21Å; H51-E162 IonicContact CE1-OE2 2.99Å; H51-E162 PolarHBondContact CE1-OE2 2.94Å; H51-E162 IonicContact CG-OE1 3.27Å; H51-E162 VanDerWaalsContact CG-OE1 3.27Å; H51-E162 IonicContact ND1-OE1 2.92Å; H51-E162 PolarHBondContact ND1-OE1 3.15Å; H51-E162 IonicContact ND1-OE2 3.73Å; H51-E162 IonicContact NE2-OE1 2.67Å; H51-E162 PolarHBondContact NE2-OE1 3.36Å; H51-E162 VanDerWaalsContact NE2-OE1 3.15Å; H51-E162 IonicContact NE2-OE2 3.21Å; H51-E162 PolarHBondContact NE2-OE2 3.03Å; H160-E162 PolarHBondContact O-N 2.92Å; E162-L164 VanDerWaalsContact C-N 3.28Å; E162-L164 PolarHBondContact O-N 3.32Å; E162-G165 CarbonylContact O-C 3.37Å; E162-G165 WeakPolarHBondContact O-CA 3.44Å; E162-G165 PolarHBondContact O-N 3.04Å; E162-Y166 HydrophobicContact CG-CD2 3.88Å; E162-Y166 HydrophobicContact CG-CE2 3.23Å; E162-Y166 VanDerWaalsContact O-CD2 3.26Å; E162-Y166 WeakPolarHBondContact O-CD2 3.44Å; E162-Y166 PolarHBondContact O-N 3.31Å; E162-Y166 WeakPolarHBondContact OE1-CE2 3.48Å; E162-Y166 VanDerWaalsContact OE1-CZ 3.27Å; E162-Y166 PolarHBondContact OE1-OH 3.23Å
163	S	88.2	Confident	88.1	Confident	11 Å²	11	52 Å²	52	8%	0.077	27%	0.267	C	S	.	.	H	α-helix	trans	-57.8	-39.1	176.1	59	0	0	0	0	112.9	H160 Y166 W167 F221	H160-S163 WeakPolarHBondContact CA-OG 3.26Å; H160-S163 PolarHBondContact O-N 2.89Å; H160-S163 PolarHBondContact O-OG 3.43Å; S163-Y166 PolarHBondContact O-N 3.36Å; S163-W167 WeakPolarHBondContact O-CB 3.43Å; S163-W167 PolarHBondContact O-N 2.96Å; S163-F221 WeakPolarHBondContact OG-CE1 3.43Å
164	L	89.9	Confident	88.1	Confident	11 Å²	11	54.5 Å²	54.5	6%	0.058	28%	0.276	C	S	.	.	H	α-helix	trans	-66.3	-39.8	172.7	-80.9	-178.8	0	0	0	111.8	M124 Y151 L154 Q155 H160 E162 W167 C168 F221	M124-L164 HydrophobicContact CE-CD2 4.2Å; Y151-L164 HydrophobicContact CD2-CD2 4.05Å; Y151-L164 HydrophobicContact CE2-CD2 4.26Å; L154-L164 HydrophobicContact CB-CD1 3.64Å; L154-L164 HydrophobicContact CB-CD2 4.05Å; L154-L164 HydrophobicContact CB-CG 4Å; L154-L164 HydrophobicContact CD1-CD2 3.71Å; L154-L164 HydrophobicContact CD1-CG 4.41Å; Q155-L164 HydrophobicContact CG-CD1 4.03Å; H160-L164 WeakPolarHBondContact O-CB 3.41Å; H160-L164 PolarHBondContact O-N 3.37Å; E162-L164 VanDerWaalsContact C-N 3.28Å; E162-L164 PolarHBondContact O-N 3.32Å; L164-W167 HydrophobicContact CD2-CE3 4.43Å; L164-W167 PolarHBondContact O-N 3.11Å; L164-C168 WeakPolarHBondContact O-CB 3.31Å; L164-C168 PolarHBondContact O-N 3.36Å; L164-C168 PolarHBondContact O-SG 2.55Å; L164-F221 HydrophobicContact CD2-CE1 4.43Å; L164-F221 HydrophobicContact CD2-CZ 4.19Å
165	G	83.9	Confident	88.1	Confident	27 Å²	27	57.3 Å²	57.3	28%	0.278	29%	0.29	S	S	.	.	H	α-helix	trans	-56.2	-49.5	172.7	0	0	0	0	0	111.7	Y161 E162 C168 L169	Y161-G165 PolarHBondContact O-N 2.93Å; E162-G165 CarbonylContact O-C 3.37Å; E162-G165 WeakPolarHBondContact O-CA 3.44Å; E162-G165 PolarHBondContact O-N 3.04Å; G165-C168 WeakPolarHBondContact O-CB 3.35Å; G165-C168 PolarHBondContact O-N 3.23Å; G165-L169 VanDerWaalsContact O-CG 3.31Å; G165-L169 WeakPolarHBondContact O-CG 3.08Å; G165-L169 PolarHBondContact O-N 3.34Å
166	Y	82.9	Confident	88.3	Confident	3 Å²	3	55.2 Å²	55.2	1%	0.012	28%	0.283	C	S	.	.	H	α-helix	trans	-61	-49.1	175.5	-71.2	-54	0	0	0	112.6	L52 L57 Y122 E162 S163 C168 L169 Q170	L52-Y166 WeakPolarHBondContact CA-OH 3.22Å; L52-Y166 HydrophobicContact CB-CE1 3.69Å; L52-Y166 WeakPolarHBondContact CB-OH 3.26Å; L52-Y166 HydrophobicContact CD1-CD1 4.47Å; L52-Y166 HydrophobicContact CD1-CE1 3.69Å; L52-Y166 HydrophobicContact CG-CE1 3.5Å; L52-Y166 PolarHBondContact N-OH 2.99Å; L52-Y166 PolarHBondContact O-OH 3.11Å; L57-Y166 HydrophobicContact CD2-CD1 4.29Å; L57-Y166 HydrophobicContact CD2-CE1 3.61Å; L57-Y166 HydrophobicContact CG-CE1 4.43Å; Y122-Y166 HydrophobicContact CD2-CD2 4.26Å; Y122-Y166 HydrophobicContact CD2-CG 4.25Å; Y122-Y166 AromaticContact CE2-CD2 3.64Å; Y122-Y166 HydrophobicContact CE2-CD2 3.64Å; Y122-Y166 HydrophobicContact CE2-CG 4.05Å; E162-Y166 HydrophobicContact CG-CD2 3.88Å; E162-Y166 HydrophobicContact CG-CE2 3.23Å; E162-Y166 VanDerWaalsContact O-CD2 3.26Å; E162-Y166 WeakPolarHBondContact O-CD2 3.44Å; E162-Y166 PolarHBondContact O-N 3.31Å; E162-Y166 WeakPolarHBondContact OE1-CE2 3.48Å; E162-Y166 VanDerWaalsContact OE1-CZ 3.27Å; E162-Y166 PolarHBondContact OE1-OH 3.23Å; S163-Y166 PolarHBondContact O-N 3.36Å; Y166-C168 PolarHBondContact O-N 3.16Å; Y166-L169 CarbonylContact O-C 3.51Å; Y166-L169 WeakPolarHBondContact O-CA 2.84Å; Y166-L169 PolarHBondContact O-N 2.84Å; Y166-Q170 WeakPolarHBondContact O-CB 3.03Å; Y166-Q170 WeakPolarHBondContact O-CG 3.17Å; Y166-Q170 PolarHBondContact O-N 3.06Å
167	W	88.9	Confident	88.6	Confident	7 Å²	7	47.5 Å²	47.5	3%	0.027	26%	0.255	C	S	.	.	H	α-helix	trans	-57.6	-39.7	178.3	178.7	74.7	0	0	0	111.7	M124 Y151 S163 L164 Q170 Q172 P173 K174 F221	M124-W167 HydrophobicContact CB-CZ2 4.25Å; M124-W167 HydrophobicContact CE-CD2 4.15Å; M124-W167 HydrophobicContact CE-CE3 4.04Å; M124-W167 HydrophobicContact CE-CH2 3.6Å; M124-W167 HydrophobicContact CE-CZ2 3.73Å; M124-W167 HydrophobicContact CE-CZ3 3.78Å; M124-W167 HydrophobicContact CG-CH2 4.48Å; M124-W167 HydrophobicContact CG-CZ2 3.72Å; M124-W167 HydrophobicContact SD-CH2 3.61Å; M124-W167 HydrophobicContact SD-CZ2 3.39Å; M124-W167 WeakPolarHBondContact SD-CZ2 3.36Å; M124-W167 HydrophobicContact SD-CZ3 4.4Å; Y151-W167 HydrophobicContact CD2-CZ3 4.21Å; Y151-W167 HydrophobicContact CE2-CZ3 4.46Å; S163-W167 WeakPolarHBondContact O-CB 3.43Å; S163-W167 PolarHBondContact O-N 2.96Å; L164-W167 HydrophobicContact CD2-CE3 4.43Å; L164-W167 PolarHBondContact O-N 3.11Å; W167-Q170 PolarHBondContact O-N 3.46Å; W167-Q172 HydrophobicContact CD2-CB 3.97Å; W167-Q172 HydrophobicContact CD2-CG 4.18Å; W167-Q172 VanDerWaalsContact CE2-CA 3.44Å; W167-Q172 HydrophobicContact CE3-CB 4.02Å; W167-Q172 HydrophobicContact CE3-CG 3.8Å; W167-Q172 HydrophobicContact CH2-CB 3.63Å; W167-Q172 HydrophobicContact CH2-CG 3.99Å; W167-Q172 HydrophobicContact CZ2-CB 3.55Å; W167-Q172 HydrophobicContact CZ2-CG 4.33Å; W167-Q172 HydrophobicContact CZ3-CB 3.85Å; W167-Q172 HydrophobicContact CZ3-CG 3.69Å; W167-Q172 VanDerWaalsContact NE1-C 3.35Å; W167-Q172 WeakPolarHBondContact O-CA 3.44Å; W167-Q172 PolarHBondContact O-N 2.83Å; W167-P173 PolarHBondContact NE1-O 2.81Å; W167-K174 HydrophobicContact CZ2-CD 4.48Å; W167-K174 HydrophobicContact CZ2-CG 4.07Å; W167-K174 VanDerWaalsContact CZ2-NZ 3.3Å; W167-F221 HydrophobicContact CB-CE2 3.73Å; W167-F221 HydrophobicContact CB-CZ 4.03Å; W167-F221 AromaticContact CD1-CE2 3.9Å; W167-F221 HydrophobicContact CD2-CE2 4.24Å; W167-F221 AromaticContact CG-CE2 3.67Å; W167-F221 HydrophobicContact CG-CE2 3.67Å; W167-F221 HydrophobicContact CG-CZ 4.43Å
168	C	86.2	Confident	88.9	Confident	43 Å²	43	49.1 Å²	49.1	29%	0.291	26%	0.261	S	S	.	.	H	α-helix	trans	-62.6	-44.4	172.7	-75.5	0	0	0	0	113	L164 G165 Y166 Q170 G171	L164-C168 WeakPolarHBondContact O-CB 3.31Å; L164-C168 PolarHBondContact O-N 3.36Å; L164-C168 PolarHBondContact O-SG 2.55Å; G165-C168 WeakPolarHBondContact O-CB 3.35Å; G165-C168 PolarHBondContact O-N 3.23Å; Y166-C168 PolarHBondContact O-N 3.16Å; C168-Q170 PolarHBondContact O-N 3.26Å; C168-G171 PolarHBondContact O-N 2.82Å
169	L	77.9	Confident	89.3	Confident	20 Å²	20	45.2 Å²	45.2	11%	0.105	24%	0.236	C	C	.	.	H	α-helix	trans	-68.5	-16.1	174.4	-66.5	171.7	0	0	0	112.7	L57 V60 I64 N70 L74 G165 Y166 G171	L57-L169 HydrophobicContact CD2-CD1 3.53Å; V60-L169 HydrophobicContact CG1-CD1 4.07Å; V60-L169 HydrophobicContact CG1-CD2 3.92Å; V60-L169 HydrophobicContact CG1-CG 4.49Å; I64-L169 HydrophobicContact CD1-CD2 3.59Å; N70-L169 WeakPolarHBondContact CB-O 3.47Å; L74-L169 HydrophobicContact CD1-CB 4.07Å; G165-L169 VanDerWaalsContact O-CG 3.31Å; G165-L169 WeakPolarHBondContact O-CG 3.08Å; G165-L169 PolarHBondContact O-N 3.34Å; Y166-L169 CarbonylContact O-C 3.51Å; Y166-L169 WeakPolarHBondContact O-CA 2.84Å; Y166-L169 PolarHBondContact O-N 2.84Å; L169-G171 VanDerWaalsContact C-N 3.29Å
170	Q	78.7	Confident	89.8	Confident	16 Å²	16	47.2 Å²	47.2	8%	0.075	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	14.6	177.1	-70.8	171.6	-29.8	0	0	112.6	L74 F119 L121 Y166 W167 C168 Q172 P173	L74-Q170 HydrophobicContact CD1-CG 4.29Å; F119-Q170 VanDerWaalsContact O-CD 3.27Å; F119-Q170 VanDerWaalsContact O-CG 3.26Å; F119-Q170 WeakPolarHBondContact O-CG 3.41Å; F119-Q170 PolarHBondContact O-NE2 3.1Å; F119-Q170 VanDerWaalsContact O-NE2 3.15Å; L121-Q170 VanDerWaalsContact CB-NE2 3.33Å; Y166-Q170 WeakPolarHBondContact O-CB 3.03Å; Y166-Q170 WeakPolarHBondContact O-CG 3.17Å; Y166-Q170 PolarHBondContact O-N 3.06Å; W167-Q170 PolarHBondContact O-N 3.46Å; C168-Q170 PolarHBondContact O-N 3.26Å; Q170-Q172 PolarHBondContact O-N 3.17Å; Q170-P173 WeakPolarHBondContact O-CD 3.46Å
171	G	83.1	Confident	90.1	Very high	44 Å²	44	47.8 Å²	47.8	45%	0.454	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.5	13.7	-176	0	0	0	0	0	113.4	C168 L169	C168-G171 PolarHBondContact O-N 2.82Å; L169-G171 VanDerWaalsContact C-N 3.29Å
172	Q	91.7	Very high	90.6	Very high	85 Å²	85	42.9 Å²	42.9	40%	0.397	23%	0.23	S	C	.	.			trans	59	57.3	176.1	-55	173	9.8	0	0	113.6	W167 Q170 K174	W167-Q172 HydrophobicContact CD2-CB 3.97Å; W167-Q172 HydrophobicContact CD2-CG 4.18Å; W167-Q172 VanDerWaalsContact CE2-CA 3.44Å; W167-Q172 HydrophobicContact CE3-CB 4.02Å; W167-Q172 HydrophobicContact CE3-CG 3.8Å; W167-Q172 HydrophobicContact CH2-CB 3.63Å; W167-Q172 HydrophobicContact CH2-CG 3.99Å; W167-Q172 HydrophobicContact CZ2-CB 3.55Å; W167-Q172 HydrophobicContact CZ2-CG 4.33Å; W167-Q172 HydrophobicContact CZ3-CB 3.85Å; W167-Q172 HydrophobicContact CZ3-CG 3.69Å; W167-Q172 VanDerWaalsContact NE1-C 3.35Å; W167-Q172 WeakPolarHBondContact O-CA 3.44Å; W167-Q172 PolarHBondContact O-N 2.83Å; Q170-Q172 PolarHBondContact O-N 3.17Å; Q172-K174 VanDerWaalsContact CB-NZ 3.26Å; Q172-K174 WeakPolarHBondContact O-CG 3.14Å; Q172-K174 PolarHBondContact O-N 3.12Å; Q172-K174 PolarHBondContact O-NZ 3.48Å
173	P	91.7	Very high	91.3	Very high	30 Å²	30	46.1 Å²	46.1	20%	0.195	25%	0.249	C	C	.	.			trans	-59.4	132.8	-174.5	25.1	-35.6	0	0	0	111.9	Y122 K123 M124 W167 Q170	Y122-P173 WeakPolarHBondContact O-CG 3.13Å; K123-P173 HydrophobicContact CB-CG 4.27Å; M124-P173 PolarHBondContact N-O 3.2Å; W167-P173 PolarHBondContact NE1-O 2.81Å; Q170-P173 WeakPolarHBondContact O-CD 3.46Å
174	K	96.2	Very high	91.8	Very high	96 Å²	96	46.9 Å²	46.9	42%	0.417	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	129.4	-176.8	-71.4	173.6	-163.6	67	0	109.5	M124 F126 W167 Q172	M124-K174 HydrophobicContact CB-CG 4.31Å; M124-K174 CarbonylContact O-C 3.53Å; M124-K174 VanDerWaalsContact O-CA 3.31Å; M124-K174 WeakPolarHBondContact O-CA 3.37Å; F126-K174 HydrophobicContact CE2-CB 3.86Å; F126-K174 HydrophobicContact CE2-CD 4.19Å; F126-K174 HydrophobicContact CE2-CG 3.81Å; F126-K174 HydrophobicContact CZ-CG 4.39Å; W167-K174 HydrophobicContact CZ2-CD 4.48Å; W167-K174 HydrophobicContact CZ2-CG 4.07Å; W167-K174 VanDerWaalsContact CZ2-NZ 3.3Å; Q172-K174 VanDerWaalsContact CB-NZ 3.26Å; Q172-K174 WeakPolarHBondContact O-CG 3.14Å; Q172-K174 PolarHBondContact O-N 3.12Å; Q172-K174 PolarHBondContact O-NZ 3.48Å
175	I	96.9	Very high	92.2	Very high	58 Å²	58	46.3 Å²	46.3	30%	0.297	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	131	179.9	-52.9	177.5	0	0	0	108.8	K123 M124 V125 F126 L177 L236	K123-I175 HydrophobicContact CD-CD1 4.05Å; M124-I175 PolarHBondContact O-N 2.9Å; V125-I175 CarbonylContact C-O 3.33Å; V125-I175 WeakPolarHBondContact CA-O 3.47Å; V125-I175 HydrophobicContact CG2-CB 4.32Å; F126-I175 PolarHBondContact N-O 3.06Å; I175-L177 HydrophobicContact CG2-CD2 3.69Å; I175-L177 HydrophobicContact CG2-CG 4.02Å; I175-L236 HydrophobicContact CG2-CD2 3.81Å
176	V	98.4	Very high	92.9	Very high	46 Å²	46	49 Å²	49	28%	0.279	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	122.8	177.1	-168.4	0	0	0	0	108.9	F126 V128 V143 L237	F126-V176 HydrophobicContact CB-CG1 4.41Å; F126-V176 HydrophobicContact CB-CG2 4.44Å; F126-V176 HydrophobicContact CD2-CG2 4.32Å; F126-V176 CarbonylContact O-C 3.52Å; F126-V176 WeakPolarHBondContact O-CA 3.25Å; V128-V176 HydrophobicContact CG2-CG1 3.59Å; V143-V176 HydrophobicContact CG1-CG2 4.08Å; V143-V176 HydrophobicContact CG2-CG1 4.02Å; V143-V176 HydrophobicContact CG2-CG2 4.48Å; V176-L237 HydrophobicContact CB-CB 4.45Å; V176-L237 HydrophobicContact CG1-CB 3.97Å; V176-L237 HydrophobicContact CG1-CD2 3.55Å; V176-L237 HydrophobicContact CG1-CG 4.43Å; V176-L237 PolarHBondContact O-N 3.35Å
177	L	98.6	Very high	93.6	Very high	11 Å²	11	52.4 Å²	52.4	6%	0.058	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	159.6	-173.5	-60	178.2	0	0	0	111.4	V125 F126 V127 V128 I175 T231 L234 Q235 L236	V125-L177 HydrophobicContact CG1-CD1 3.34Å; V125-L177 HydrophobicContact CG1-CG 3.89Å; F126-L177 PolarHBondContact O-N 3.43Å; V127-L177 WeakPolarHBondContact CA-O 3.47Å; V127-L177 HydrophobicContact CG2-CB 4.46Å; V128-L177 PolarHBondContact N-O 3.38Å; I175-L177 HydrophobicContact CG2-CD2 3.69Å; I175-L177 HydrophobicContact CG2-CG 4.02Å; L177-T231 HydrophobicContact CD1-CG2 4.46Å; L177-L234 HydrophobicContact CB-CB 4.09Å; L177-L234 HydrophobicContact CB-CD1 4.31Å; L177-L234 HydrophobicContact CD1-CB 4.01Å; L177-L234 HydrophobicContact CD1-CD1 4.2Å; L177-L234 HydrophobicContact CG-CB 4.48Å; L177-Q235 CarbonylContact C-O 3.57Å; L177-Q235 WeakPolarHBondContact CA-O 3.37Å; L177-L236 HydrophobicContact CD2-CD2 3.88Å
178	K	98.2	Very high	94.1	Very high	92 Å²	92	52.7 Å²	52.7	40%	0.4	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	111.4	-177.6	-162.9	-179.9	-179.1	170.7	0	111.8	S130 Q235 L237	S130-K178 WeakPolarHBondContact OG-CE 3.48Å; S130-K178 WeakPolarHBondContact OG-CG 3.36Å; K178-Q235 HydrophobicContact CB-CB 4.48Å; K178-Q235 PolarHBondContact N-O 2.93Å; K178-L237 HydrophobicContact CB-CD1 4.48Å; K178-L237 HydrophobicContact CG-CD1 4.34Å
179	G	98.2	Very high	94.7	Very high	1 Å²	1	53 Å²	53	1%	0.01	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	157.7	165.9	0	0	0	0	0	112	V127 V128 S130	V127-G179 VanDerWaalsContact CG1-CA 3.49Å; V128-G179 CarbonylContact O-C 3.58Å; V128-G179 VanDerWaalsContact O-CA 3.26Å; V128-G179 WeakPolarHBondContact O-CA 3.49Å; V128-G179 PolarHBondContact O-N 2.91Å; S130-G179 WeakPolarHBondContact CB-O 3.39Å; S130-G179 PolarHBondContact N-O 3.13Å; S130-G179 PolarHBondContact OG-O 3.46Å
180	R	97.6	Very high	95.6	Very high	171 Å²	171	56.7 Å²	56.7	65%	0.645	30%	0.298	S	S	*	.			trans	-86.2	-58.9	-173.3	-71.4	-177.9	-69.5	157.6	-2.9	111.6	E131 H184	E131-R180 WeakPolarHBondContact CB-O 3.42Å; E131-R180 PolarHBondContact N-O 3.07Å; E131-R180 VanDerWaalsContact N-O 3.16Å; R180-H184 HydrophobicContact CB-CB 3.96Å; R180-H184 PolarHBondContact N-ND1 2.73Å; R180-H184 VanDerWaalsContact N-ND1 3.2Å; R180-H184 PolarHBondContact NE-ND1 3.05Å
181	N	97	Very high	96.6	Very high	45 Å²	45	58.7 Å²	58.7	24%	0.241	31%	0.309	C	S	.	.	S	Bend	trans	-155.2	-180	-176.2	57.5	17.9	0	0	0	109.5	N129 E131 D183 H184 L185	N129-N181 VanDerWaalsContact OD1-CA 3.26Å; N129-N181 WeakPolarHBondContact OD1-CA 3.1Å; E131-N181 HydrophobicContact CB-CB 4.14Å; E131-N181 WeakPolarHBondContact OE2-CB 3.26Å; N181-D183 VanDerWaalsContact C-N 3.33Å; N181-D183 PolarHBondContact O-N 3.25Å; N181-D183 PolarHBondContact OD1-N 3.32Å; N181-H184 PolarHBondContact O-N 3.4Å; N181-H184 WeakPolarHBondContact OD1-CB 3.48Å; N181-H184 PolarHBondContact OD1-N 2.96Å; N181-L185 VanDerWaalsContact O-CD1 3.27Å; N181-L185 WeakPolarHBondContact O-CD1 3.1Å; N181-L185 PolarHBondContact O-N 3.08Å; N181-L185 VanDerWaalsContact O-N 3.16Å
182	A	96.6	Very high	97.3	Very high	37 Å²	37	56.6 Å²	56.6	31%	0.306	29%	0.287	S	S	.	.	H	α-helix	trans	-59.2	-40.8	-178.4	0	0	0	0	0	112.9	N129 H184 L185 L186 F215	N129-A182 PolarHBondContact ND2-N 2.92Å; A182-H184 VanDerWaalsContact C-N 3.35Å; A182-H184 PolarHBondContact O-N 3.29Å; A182-L185 PolarHBondContact O-N 3.49Å; A182-L186 PolarHBondContact O-N 2.98Å; A182-F215 HydrophobicContact CB-CB 4.28Å
183	D	97.3	Very high	97.5	Very high	115 Å²	115	56.5 Å²	56.5	62%	0.615	29%	0.287	S	S	*	.	H	α-helix	trans	-62.9	-40.9	178.2	-64.6	-22.5	0	0	0	111.7	N181 L186 S187	N181-D183 VanDerWaalsContact C-N 3.33Å; N181-D183 PolarHBondContact O-N 3.25Å; N181-D183 PolarHBondContact OD1-N 3.32Å; D183-L186 PolarHBondContact O-N 3.46Å; D183-S187 PolarHBondContact O-N 3.43Å; D183-S187 PolarHBondContact O-OG 3.34Å
184	H	98.2	Very high	97.8	Very high	26 Å²	26	61.7 Å²	61.7	12%	0.12	31%	0.308	C	S	.	.	H	α-helix	trans	-63.1	-43.8	176.4	-174.1	-156.8	0	0	0	111.7	R180 N181 A182 L186 S187 L188	R180-H184 HydrophobicContact CB-CB 3.96Å; R180-H184 PolarHBondContact N-ND1 2.73Å; R180-H184 VanDerWaalsContact N-ND1 3.2Å; R180-H184 PolarHBondContact NE-ND1 3.05Å; N181-H184 PolarHBondContact O-N 3.4Å; N181-H184 WeakPolarHBondContact OD1-CB 3.48Å; N181-H184 PolarHBondContact OD1-N 2.96Å; A182-H184 VanDerWaalsContact C-N 3.35Å; A182-H184 PolarHBondContact O-N 3.29Å; H184-L186 VanDerWaalsContact C-N 3.31Å; H184-L186 PolarHBondContact O-N 3.38Å; H184-S187 PolarHBondContact O-N 3.08Å; H184-L188 WeakPolarHBondContact O-CG 3.49Å; H184-L188 PolarHBondContact O-N 2.71Å
185	L	98.4	Very high	97.8	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-62.2	-40.3	175.3	-88.3	67.3	0	0	0	111.1	V127 N129 N181 A182 L188 K189 F215 L218	V127-L185 HydrophobicContact CG1-CD1 4.15Å; V127-L185 HydrophobicContact CG1-CG 4.36Å; N129-L185 HydrophobicContact CB-CD1 4.11Å; N129-L185 HydrophobicContact CB-CD2 3.98Å; N181-L185 VanDerWaalsContact O-CD1 3.27Å; N181-L185 WeakPolarHBondContact O-CD1 3.1Å; N181-L185 PolarHBondContact O-N 3.08Å; N181-L185 VanDerWaalsContact O-N 3.16Å; A182-L185 PolarHBondContact O-N 3.49Å; L185-L188 PolarHBondContact O-N 3.37Å; L185-K189 PolarHBondContact O-N 2.98Å; L185-F215 HydrophobicContact CB-CD1 3.81Å; L185-F215 HydrophobicContact CB-CE1 3.45Å; L185-F215 VanDerWaalsContact CB-CE1 3.45Å; L185-F215 HydrophobicContact CB-CZ 3.86Å; L185-F215 HydrophobicContact CD2-CD1 4.26Å; L185-F215 HydrophobicContact CD2-CD2 3.99Å; L185-F215 HydrophobicContact CD2-CE1 4.24Å; L185-F215 HydrophobicContact CD2-CE2 3.94Å; L185-F215 HydrophobicContact CD2-CG 4.14Å; L185-F215 HydrophobicContact CD2-CZ 4.07Å; L185-F215 HydrophobicContact CG-CE1 4.47Å; L185-L218 HydrophobicContact CB-CB 4.5Å; L185-L218 HydrophobicContact CD2-CB 4.26Å; L185-L218 HydrophobicContact CG-CB 4.21Å; L185-L218 WeakPolarHBondContact O-CD2 3.32Å
186	L	97.9	Very high	97.7	Very high	83 Å²	83	65.1 Å²	65.1	44%	0.435	33%	0.329	S	S	.	.	H	α-helix	trans	-63.7	-44	177.1	-177.7	61.2	0	0	0	111.9	A182 D183 H184 L188 K189 L190	A182-L186 PolarHBondContact O-N 2.98Å; D183-L186 PolarHBondContact O-N 3.46Å; H184-L186 VanDerWaalsContact C-N 3.31Å; H184-L186 PolarHBondContact O-N 3.38Å; L186-L188 VanDerWaalsContact C-N 3.33Å; L186-L188 PolarHBondContact O-N 3.02Å; L186-K189 HydrophobicContact CD1-CD 4.46Å; L186-K189 WeakPolarHBondContact O-CB 3.44Å; L186-K189 PolarHBondContact O-N 3.04Å; L186-L190 WeakPolarHBondContact O-CG 3.37Å; L186-L190 PolarHBondContact O-N 3.03Å
187	S	98.2	Very high	97.6	Very high	75 Å²	75	63.4 Å²	63.4	52%	0.524	32%	0.318	S	S	.	.	H	α-helix	trans	-60.5	-41.4	175.7	-62.4	0	0	0	0	112.4	D183 H184 L190 L191	D183-S187 PolarHBondContact O-N 3.43Å; D183-S187 PolarHBondContact O-OG 3.34Å; H184-S187 PolarHBondContact O-N 3.08Å; S187-L190 PolarHBondContact O-N 3.3Å; S187-L191 PolarHBondContact O-N 3.32Å
188	L	98.6	Very high	97.5	Very high	13 Å²	13	63.7 Å²	63.7	7%	0.068	32%	0.32	C	S	.	.	H	α-helix	trans	-65.3	-38.8	176	-69.5	168.2	0	0	0	112	V127 H184 L185 L186 L191 A192 L218 V230 L234	V127-L188 HydrophobicContact CG1-CD1 3.91Å; V127-L188 HydrophobicContact CG2-CD1 4.39Å; H184-L188 WeakPolarHBondContact O-CG 3.49Å; H184-L188 PolarHBondContact O-N 2.71Å; L185-L188 PolarHBondContact O-N 3.37Å; L186-L188 VanDerWaalsContact C-N 3.33Å; L186-L188 PolarHBondContact O-N 3.02Å; L188-L191 PolarHBondContact O-N 3.26Å; L188-A192 WeakPolarHBondContact O-CB 3.42Å; L188-A192 PolarHBondContact O-N 2.73Å; L188-L218 HydrophobicContact CB-CD2 3.79Å; L188-V230 HydrophobicContact CB-CG1 4.43Å; L188-V230 HydrophobicContact CD2-CG1 4.05Å; L188-V230 VanDerWaalsContact CD2-O 3.3Å; L188-V230 WeakPolarHBondContact CD2-O 3.44Å; L188-L234 HydrophobicContact CD1-CD1 3.83Å; L188-L234 HydrophobicContact CD1-CD2 4.48Å
189	K	98.4	Very high	97.5	Very high	49 Å²	49	60.2 Å²	60.2	21%	0.213	31%	0.308	C	S	.	.	H	α-helix	trans	-59.4	-49.2	174.7	179.6	-175.2	179.1	-76.6	0	111	L185 L186 L191 A192 E193 C199 T201 L218	L185-K189 PolarHBondContact O-N 2.98Å; L186-K189 HydrophobicContact CD1-CD 4.46Å; L186-K189 WeakPolarHBondContact O-CB 3.44Å; L186-K189 PolarHBondContact O-N 3.04Å; K189-L191 VanDerWaalsContact C-N 3.33Å; K189-L191 PolarHBondContact O-N 3.3Å; K189-A192 PolarHBondContact O-N 3.21Å; K189-E193 VanDerWaalsContact CE-OE1 3.29Å; K189-E193 WeakPolarHBondContact CE-OE1 3.42Å; K189-E193 VanDerWaalsContact NZ-CD 3.31Å; K189-E193 IonicContact NZ-OE1 2.58Å; K189-E193 PolarHBondContact NZ-OE1 3.2Å; K189-E193 IonicContact NZ-OE2 2.63Å; K189-E193 PolarHBondContact NZ-OE2 3.43Å; K189-E193 WeakPolarHBondContact O-CG 3.37Å; K189-E193 PolarHBondContact O-N 2.76Å; K189-C199 HydrophobicContact CG-CB 4.47Å; K189-T201 HydrophobicContact CD-CG2 3.84Å; K189-L218 HydrophobicContact CB-CD1 3.97Å; K189-L218 HydrophobicContact CB-CD2 4.07Å; K189-L218 HydrophobicContact CG-CD1 4.21Å
190	L	98.2	Very high	97.5	Very high	98 Å²	98	62.9 Å²	62.9	51%	0.513	32%	0.318	S	S	.	.	H	α-helix	trans	-61.7	-42.1	179.5	-67.4	173.3	0	0	0	111.7	L186 S187 E193 E194	L186-L190 WeakPolarHBondContact O-CG 3.37Å; L186-L190 PolarHBondContact O-N 3.03Å; S187-L190 PolarHBondContact O-N 3.3Å; L190-E193 PolarHBondContact O-N 3.12Å; L190-E194 PolarHBondContact O-N 3.38Å
191	L	98.2	Very high	97.5	Very high	58 Å²	58	56.8 Å²	56.8	30%	0.304	30%	0.3	S	S	.	.	H	α-helix	trans	-64.5	-39.3	176	-178.2	61.7	0	0	0	112	S187 L188 K189 E194 K195 V230	S187-L191 PolarHBondContact O-N 3.32Å; L188-L191 PolarHBondContact O-N 3.26Å; K189-L191 VanDerWaalsContact C-N 3.33Å; K189-L191 PolarHBondContact O-N 3.3Å; L191-E194 PolarHBondContact O-N 2.86Å; L191-K195 WeakPolarHBondContact O-CG 3.48Å; L191-K195 PolarHBondContact O-N 2.87Å; L191-V230 HydrophobicContact CB-CG1 4.44Å; L191-V230 HydrophobicContact CD2-CB 4.45Å; L191-V230 HydrophobicContact CD2-CG1 4.2Å; L191-V230 HydrophobicContact CD2-CG2 4.46Å; L191-V230 HydrophobicContact CG-CG1 4.34Å; L191-V230 HydrophobicContact CG-CG2 4.18Å
192	A	98.2	Very high	97.5	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-65.3	-43.4	175.4	0	0	0	0	0	112.1	L188 K189 E194 K195 N196 L197 C199 I220 V230	L188-A192 WeakPolarHBondContact O-CB 3.42Å; L188-A192 PolarHBondContact O-N 2.73Å; K189-A192 PolarHBondContact O-N 3.21Å; A192-E194 VanDerWaalsContact C-N 3.34Å; A192-E194 PolarHBondContact O-N 3.45Å; A192-K195 CarbonylContact O-C 3.59Å; A192-K195 PolarHBondContact O-N 3.32Å; A192-K195 VanDerWaalsContact O-N 3.09Å; A192-N196 PolarHBondContact O-N 2.97Å; A192-L197 HydrophobicContact CB-CB 4.09Å; A192-L197 HydrophobicContact CB-CD1 4.32Å; A192-L197 WeakPolarHBondContact O-CB 3.32Å; A192-L197 PolarHBondContact O-N 2.98Å; A192-C199 WeakPolarHBondContact CB-SG 3.35Å; A192-I220 HydrophobicContact CB-CD1 4.11Å; A192-I220 HydrophobicContact CB-CG2 4.23Å; A192-V230 HydrophobicContact CB-CG1 4.2Å; A192-V230 HydrophobicContact CB-CG2 4.3Å
193	E	97.1	Very high	97.4	Very high	83 Å²	83	57.5 Å²	57.5	39%	0.388	30%	0.296	S	S	.	.	H	α-helix	trans	-62.2	-40.2	175.8	-72.7	171.5	163	0	0	111.5	K189 L190 K195 N196	K189-E193 VanDerWaalsContact CE-OE1 3.29Å; K189-E193 WeakPolarHBondContact CE-OE1 3.42Å; K189-E193 VanDerWaalsContact NZ-CD 3.31Å; K189-E193 IonicContact NZ-OE1 2.58Å; K189-E193 PolarHBondContact NZ-OE1 3.2Å; K189-E193 IonicContact NZ-OE2 2.63Å; K189-E193 PolarHBondContact NZ-OE2 3.43Å; K189-E193 WeakPolarHBondContact O-CG 3.37Å; K189-E193 PolarHBondContact O-N 2.76Å; L190-E193 PolarHBondContact O-N 3.12Å; E193-K195 PolarHBondContact O-N 3.3Å; E193-N196 PolarHBondContact O-N 3.3Å
194	E	97.2	Very high	96.8	Very high	138 Å²	138	52.4 Å²	52.4	65%	0.645	27%	0.269	S	S	*	.	H	α-helix	trans	-59	-34	173	-172.2	-169	167.5	0	0	112.4	L190 L191 A192 N196	L190-E194 PolarHBondContact O-N 3.38Å; L191-E194 PolarHBondContact O-N 2.86Å; A192-E194 VanDerWaalsContact C-N 3.34Å; A192-E194 PolarHBondContact O-N 3.45Å; E194-N196 VanDerWaalsContact C-N 3.29Å; E194-N196 PolarHBondContact O-N 3.17Å
195	K	95.5	Very high	95.6	Very high	78 Å²	78	53.8 Å²	53.8	34%	0.339	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	8.6	177.6	-61	-64.2	178.6	-173.9	0	113.6	L191 A192 E193 L197 V230	L191-K195 WeakPolarHBondContact O-CG 3.48Å; L191-K195 PolarHBondContact O-N 2.87Å; A192-K195 CarbonylContact O-C 3.59Å; A192-K195 PolarHBondContact O-N 3.32Å; A192-K195 VanDerWaalsContact O-N 3.09Å; E193-K195 PolarHBondContact O-N 3.3Å; K195-L197 VanDerWaalsContact C-N 3.26Å; K195-L197 HydrophobicContact CB-CD1 4.25Å; K195-L197 HydrophobicContact CB-CG 4.23Å; K195-L197 PolarHBondContact O-N 2.86Å; K195-V230 HydrophobicContact CG-CG2 4.45Å
196	N	94.9	Very high	94	Very high	149 Å²	149	55.6 Å²	55.6	80%	0.797	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.4	35.5	-175.5	-55.8	-70.1	0	0	0	113.4	A192 E193 E194	A192-N196 PolarHBondContact O-N 2.97Å; E193-N196 PolarHBondContact O-N 3.3Å; E194-N196 VanDerWaalsContact C-N 3.29Å; E194-N196 PolarHBondContact O-N 3.17Å
197	L	96.9	Very high	92.1	Very high	10 Å²	10	59.3 Å²	59.3	5%	0.052	31%	0.311	C	S	.	.			trans	-92.2	138.4	173.4	-65.7	170.9	0	0	0	110.8	A192 K195 I220 L226 V227 V230	A192-L197 HydrophobicContact CB-CB 4.09Å; A192-L197 HydrophobicContact CB-CD1 4.32Å; A192-L197 WeakPolarHBondContact O-CB 3.32Å; A192-L197 PolarHBondContact O-N 2.98Å; K195-L197 VanDerWaalsContact C-N 3.26Å; K195-L197 HydrophobicContact CB-CD1 4.25Å; K195-L197 HydrophobicContact CB-CG 4.23Å; K195-L197 PolarHBondContact O-N 2.86Å; L197-I220 HydrophobicContact CB-CG2 3.95Å; L197-I220 HydrophobicContact CD1-CG2 4.04Å; L197-L226 HydrophobicContact CD1-CB 4.47Å; L197-L226 HydrophobicContact CD2-CB 3.86Å; L197-L226 HydrophobicContact CG-CB 4.47Å; L197-V227 HydrophobicContact CD1-CG2 4.23Å; L197-V227 HydrophobicContact CD2-CG2 3.96Å; L197-V230 HydrophobicContact CD1-CG2 3.7Å
198	S	97.1	Very high	90.3	Very high	16 Å²	16	59 Å²	59	11%	0.112	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	129.4	-180	-42	0	0	0	0	110.3	L154 H160 I220 F221	L154-S198 VanDerWaalsContact CD2-CB 3.45Å; L154-S198 WeakPolarHBondContact CD2-OG 3.35Å; H160-S198 PolarHBondContact CE1-OG 2.85Å; H160-S198 PolarHBondContact NE2-OG 2.92Å; S198-I220 WeakPolarHBondContact O-CA 3.45Å; S198-F221 PolarHBondContact N-O 3.26Å; S198-F221 PolarHBondContact O-N 3.3Å
199	C	97.9	Very high	88.5	Confident	20 Å²	20	68.1 Å²	68.1	14%	0.135	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	149.8	-176.4	-66.4	0	0	0	0	112.1	L153 K189 A192 L218 S219	L153-C199 WeakPolarHBondContact CD2-O 3.16Å; K189-C199 HydrophobicContact CG-CB 4.47Å; A192-C199 WeakPolarHBondContact CB-SG 3.35Å; C199-L218 HydrophobicContact CB-CD1 4.16Å; C199-S219 CarbonylContact C-O 3.58Å; C199-S219 VanDerWaalsContact CA-O 3.24Å; C199-S219 WeakPolarHBondContact CA-O 3.39Å
200	Y	98	Very high	86.9	Confident	56 Å²	56	66.4 Å²	66.4	22%	0.22	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	135.3	170.1	-173	-90.8	0	0	0	110.3	L150 V202 S219	L150-Y200 HydrophobicContact CB-CG 4.43Å; Y200-V202 HydrophobicContact CD1-CG2 4.08Å; Y200-V202 HydrophobicContact CE1-CG2 4.03Å; Y200-S219 PolarHBondContact N-O 3.29Å; Y200-S219 PolarHBondContact O-N 3.46Å
201	T	97.5	Very high	85.5	Confident	44 Å²	44	65.1 Å²	65.1	27%	0.27	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	137	-177.6	61	0	0	0	0	110.9	K189 F215 L218	K189-T201 HydrophobicContact CD-CG2 3.84Å; T201-F215 HydrophobicContact CG2-CE1 4.45Å; T201-F215 HydrophobicContact CG2-CE2 3.73Å; T201-F215 HydrophobicContact CG2-CZ 3.55Å; T201-L218 HydrophobicContact CG2-CD1 4.27Å
202	V	96.5	Very high	84.5	Confident	10 Å²	10	66.8 Å²	66.8	6%	0.061	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	120.1	177.2	-172.3	0	0	0	0	109.1	Q142 H145 G146 Y200 T216 V217	Q142-V202 HydrophobicContact CB-CG1 4.45Å; H145-V202 HydrophobicContact CB-CG1 4Å; H145-V202 HydrophobicContact CB-CG2 4.42Å; G146-V202 VanDerWaalsContact CA-CG2 3.41Å; Y200-V202 HydrophobicContact CD1-CG2 4.08Å; Y200-V202 HydrophobicContact CE1-CG2 4.03Å; V202-T216 WeakPolarHBondContact CG1-OG1 3.32Å; V202-T216 PolarHBondContact O-N 3.32Å; V202-T216 PolarHBondContact O-OG1 3.5Å; V202-V217 HydrophobicContact CB-CB 4.06Å; V202-V217 HydrophobicContact CG2-CB 4.1Å; V202-V217 PolarHBondContact N-O 3.02Å; V202-V217 PolarHBondContact O-N 3.16Å
203	H	94.2	Very high	84	Confident	86 Å²	86	68.9 Å²	68.9	40%	0.398	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	142.6	174.5	-66.7	-98.9	0	0	0	110.8	A205 G213 S214 F215	H203-A205 PolarHBondContact O-N 3.41Å; H203-G213 PolarHBondContact ND1-O 3.47Å; H203-S214 CarbonylContact C-O 3.58Å; H203-S214 VanDerWaalsContact CA-O 3.28Å; H203-S214 WeakPolarHBondContact CA-O 2.96Å; H203-F215 AromaticContact CE1-CG 3.9Å
204	D	86.2	Confident	83.7	Confident	9 Å²	9	66.1 Å²	66.1	5%	0.048	37%	0.373	C	S	.	.			trans	-71	127.3	175.6	-161.9	94.7	0	0	0	110.4	K138 G206 T208 V210 G213 S214 T216	K138-D204 WeakPolarHBondContact CE-OD1 3.25Å; K138-D204 IonicContact NZ-OD1 2.88Å; K138-D204 PolarHBondContact NZ-OD1 3.03Å; D204-G206 PolarHBondContact O-N 2.88Å; D204-G206 VanDerWaalsContact OD2-CA 3.32Å; D204-G206 WeakPolarHBondContact OD2-CA 3.3Å; D204-G206 PolarHBondContact OD2-N 3.39Å; D204-T208 PolarHBondContact OD1-OG1 2.94Å; D204-T208 PolarHBondContact OD2-OG1 3.44Å; D204-V210 HydrophobicContact CB-CG1 4.21Å; D204-G213 PolarHBondContact O-N 3.19Å; D204-S214 PolarHBondContact N-O 3.13Å; D204-T216 HydrophobicContact CB-CG2 3.88Å
205	A	73.3	Confident	83.6	Confident	55 Å²	55	60.4 Å²	60.4	46%	0.455	35%	0.347	S	S	.	.			trans	-72.9	-2.4	178	0	0	0	0	0	113.7	P20 H203	P20-A205 HydrophobicContact CB-CB 4.49Å; H203-A205 PolarHBondContact O-N 3.41Å
206	G	63.1	Low	83.6	Confident	37 Å²	37	56.7 Å²	56.7	38%	0.381	33%	0.331	S	S	.	.	S	Bend	trans	87.2	29.4	177.9	0	0	0	0	0	114.8	D204	D204-G206 PolarHBondContact O-N 2.88Å; D204-G206 VanDerWaalsContact OD2-CA 3.32Å; D204-G206 WeakPolarHBondContact OD2-CA 3.3Å; D204-G206 PolarHBondContact OD2-N 3.39Å
207	R	58.8	Low	83.8	Confident	161 Å²	161	49.6 Å²	49.6	61%	0.608	29%	0.293	S	S	*	.	S	Bend	trans	-97.5	6.6	177.9	-64.6	-172.5	-177	140.1	7.5	114	N18	N18-R207 PolarHBondContact O-NH2 3.38Å
208	T	61.2	Low	83.9	Confident	70 Å²	70	49.1 Å²	49.1	43%	0.429	29%	0.29	S	S	.	.	S	Bend	trans	-143.7	-175.7	-168.9	62.3	0	0	0	0	111.4	K138 D204 V210	K138-T208 HydrophobicContact CD-CG2 4.13Å; K138-T208 VanDerWaalsContact CE-OG1 3.28Å; K138-T208 WeakPolarHBondContact CE-OG1 3.14Å; K138-T208 PolarHBondContact NZ-OG1 3.01Å; D204-T208 PolarHBondContact OD1-OG1 2.94Å; D204-T208 PolarHBondContact OD2-OG1 3.44Å; T208-V210 PolarHBondContact O-N 3.16Å
209	Q	61.3	Low	83.9	Confident	203 Å²	203	48.4 Å²	48.4	95%	0.949	29%	0.285	S	S	*	.	S	Bend	trans	-61.1	-4.7	-180	-62.2	173.1	-1	0	0	115.7
210	V	63.3	Low	84	Confident	14 Å²	14	47.4 Å²	47.4	9%	0.085	28%	0.278	C	S	.	.	S	Bend	trans	-98.8	141.1	-179.9	169.9	0	0	0	0	108.9	L132 M134 D204 T208 S212 S214	L132-V210 HydrophobicContact CB-CG2 4.09Å; L132-V210 HydrophobicContact CD1-CG1 4.03Å; L132-V210 HydrophobicContact CD2-CG1 3.95Å; L132-V210 HydrophobicContact CG-CG1 4.42Å; M134-V210 HydrophobicContact CG-CG2 4.1Å; D204-V210 HydrophobicContact CB-CG1 4.21Å; T208-V210 PolarHBondContact O-N 3.16Å; V210-S212 PolarHBondContact O-N 2.9Å; V210-S214 WeakPolarHBondContact CG1-OG 3.41Å
211	A	69.2	Low	84	Confident	71 Å²	71	44.8 Å²	44.8	59%	0.587	27%	0.268	S	S	*	.	P	Polyproline II helix	trans	-54.8	134.9	177.4	0	0	0	0	0	111.1	G213 S214	A211-G213 PolarHBondContact O-N 3.22Å; A211-S214 VanDerWaalsContact O-CB 3.29Å; A211-S214 WeakPolarHBondContact O-CB 3.45Å; A211-S214 PolarHBondContact O-N 2.88Å; A211-S214 VanDerWaalsContact O-N 3.14Å; A211-S214 PolarHBondContact O-OG 3.27Å
212	S	77.5	Confident	83.9	Confident	92 Å²	92	43.1 Å²	43.1	64%	0.643	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	138	177.1	-172.8	0	0	0	0	110.7	V210 S214	V210-S212 PolarHBondContact O-N 2.9Å; S212-S214 VanDerWaalsContact C-N 3.32Å; S212-S214 PolarHBondContact O-N 3.24Å
213	G	86.7	Confident	83.7	Confident	44 Å²	44	43.7 Å²	43.7	45%	0.454	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.4	-2.9	-178.1	0	0	0	0	0	115.3	H203 D204 A211 F215	H203-G213 PolarHBondContact ND1-O 3.47Å; D204-G213 PolarHBondContact O-N 3.19Å; A211-G213 PolarHBondContact O-N 3.22Å; G213-F215 PolarHBondContact O-N 3.42Å
214	S	90.8	Very high	83.5	Confident	25 Å²	25	43.3 Å²	43.3	18%	0.175	26%	0.26	C	S	.	.			trans	-59.3	132	-179.7	-64.3	0	0	0	0	111.9	H203 D204 V210 A211 S212 T216	H203-S214 CarbonylContact C-O 3.58Å; H203-S214 VanDerWaalsContact CA-O 3.28Å; H203-S214 WeakPolarHBondContact CA-O 2.96Å; D204-S214 PolarHBondContact N-O 3.13Å; V210-S214 WeakPolarHBondContact CG1-OG 3.41Å; A211-S214 VanDerWaalsContact O-CB 3.29Å; A211-S214 WeakPolarHBondContact O-CB 3.45Å; A211-S214 PolarHBondContact O-N 2.88Å; A211-S214 VanDerWaalsContact O-N 3.14Å; A211-S214 PolarHBondContact O-OG 3.27Å; S212-S214 VanDerWaalsContact C-N 3.32Å; S212-S214 PolarHBondContact O-N 3.24Å; S214-T216 WeakPolarHBondContact O-CG2 3.46Å; S214-T216 PolarHBondContact O-N 3.47Å
215	F	95.5	Very high	83.8	Confident	19 Å²	19	46.9 Å²	46.9	8%	0.083	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	105.6	174.3	-171	-173.5	0	0	0	109.8	N129 A182 L185 T201 H203 G213 V217 L218	N129-F215 WeakPolarHBondContact CB-O 3.48Å; N129-F215 PolarHBondContact ND2-O 2.94Å; A182-F215 HydrophobicContact CB-CB 4.28Å; L185-F215 HydrophobicContact CB-CD1 3.81Å; L185-F215 HydrophobicContact CB-CE1 3.45Å; L185-F215 VanDerWaalsContact CB-CE1 3.45Å; L185-F215 HydrophobicContact CB-CZ 3.86Å; L185-F215 HydrophobicContact CD2-CD1 4.26Å; L185-F215 HydrophobicContact CD2-CD2 3.99Å; L185-F215 HydrophobicContact CD2-CE1 4.24Å; L185-F215 HydrophobicContact CD2-CE2 3.94Å; L185-F215 HydrophobicContact CD2-CG 4.14Å; L185-F215 HydrophobicContact CD2-CZ 4.07Å; L185-F215 HydrophobicContact CG-CE1 4.47Å; T201-F215 HydrophobicContact CG2-CE1 4.45Å; T201-F215 HydrophobicContact CG2-CE2 3.73Å; T201-F215 HydrophobicContact CG2-CZ 3.55Å; H203-F215 AromaticContact CE1-CG 3.9Å; G213-F215 PolarHBondContact O-N 3.42Å; F215-V217 WeakPolarHBondContact CE2-O 3.32Å; F215-L218 HydrophobicContact CE2-CB 4.22Å; F215-L218 HydrophobicContact CZ-CB 3.92Å; F215-L218 HydrophobicContact CZ-CD1 4.31Å
216	T	96.7	Very high	84.7	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	-44.7	-170.1	56.5	0	0	0	0	113.7	N129 L132 M134 Q142 V202 D204 S214	N129-T216 WeakPolarHBondContact CB-O 3.41Å; N129-T216 PolarHBondContact N-O 2.92Å; L132-T216 HydrophobicContact CD1-CG2 3.78Å; M134-T216 HydrophobicContact CE-CG2 4.44Å; M134-T216 HydrophobicContact SD-CG2 3.94Å; Q142-T216 HydrophobicContact CG-CG2 4.39Å; Q142-T216 PolarHBondContact NE2-OG1 3.36Å; V202-T216 WeakPolarHBondContact CG1-OG1 3.32Å; V202-T216 PolarHBondContact O-N 3.32Å; V202-T216 PolarHBondContact O-OG1 3.5Å; D204-T216 HydrophobicContact CB-CG2 3.88Å; S214-T216 WeakPolarHBondContact O-CG2 3.46Å; S214-T216 PolarHBondContact O-N 3.47Å
217	V	98.1	Very high	86.3	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	130.7	-175.3	-178.8	0	0	0	0	110.2	F126 V127 V128 Q142 V143 V202 F215	F126-V217 HydrophobicContact CB-CG1 4.05Å; F126-V217 HydrophobicContact CD1-CG1 4.44Å; V127-V217 WeakPolarHBondContact O-CA 3.48Å; V128-V217 HydrophobicContact CG2-CG2 4.14Å; Q142-V217 HydrophobicContact CB-CG2 3.63Å; V143-V217 HydrophobicContact CG2-CG2 4.41Å; V202-V217 HydrophobicContact CB-CB 4.06Å; V202-V217 HydrophobicContact CG2-CB 4.1Å; V202-V217 PolarHBondContact N-O 3.02Å; V202-V217 PolarHBondContact O-N 3.16Å; F215-V217 WeakPolarHBondContact CE2-O 3.32Å
218	L	98.6	Very high	88.1	Confident	0 Å²	0	41 Å²	41	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	127.4	163.6	172.1	65.7	0	0	0	108.7	F126 V127 L185 L188 K189 C199 T201 F215 I220	F126-L218 CarbonylContact C-O 3.48Å; F126-L218 WeakPolarHBondContact CA-O 3.29Å; V127-L218 HydrophobicContact CB-CB 4.37Å; V127-L218 PolarHBondContact N-O 3.1Å; V127-L218 PolarHBondContact O-N 2.54Å; L185-L218 HydrophobicContact CB-CB 4.5Å; L185-L218 HydrophobicContact CD2-CB 4.26Å; L185-L218 HydrophobicContact CG-CB 4.21Å; L185-L218 WeakPolarHBondContact O-CD2 3.32Å; L188-L218 HydrophobicContact CB-CD2 3.79Å; K189-L218 HydrophobicContact CB-CD1 3.97Å; K189-L218 HydrophobicContact CB-CD2 4.07Å; K189-L218 HydrophobicContact CG-CD1 4.21Å; C199-L218 HydrophobicContact CB-CD1 4.16Å; T201-L218 HydrophobicContact CG2-CD1 4.27Å; F215-L218 HydrophobicContact CE2-CB 4.22Å; F215-L218 HydrophobicContact CZ-CB 3.92Å; F215-L218 HydrophobicContact CZ-CD1 4.31Å; L218-I220 HydrophobicContact CD1-CG1 4.42Å; L218-I220 HydrophobicContact CD2-CD1 3.85Å; L218-I220 HydrophobicContact CD2-CG1 4.09Å; L218-I220 HydrophobicContact CG-CD1 4.23Å; L218-I220 HydrophobicContact CG-CG1 3.91Å
219	S	98.7	Very high	89.8	Confident	0 Å²	0	43 Å²	43	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	134.7	174.7	-43.2	0	0	0	0	109	V125 F126 G146 C199 Y200	V125-S219 CarbonylContact O-C 3.59Å; V125-S219 WeakPolarHBondContact O-CA 3.22Å; F126-S219 WeakPolarHBondContact CD1-OG 3.3Å; G146-S219 WeakPolarHBondContact CA-OG 3.31Å; G146-S219 PolarHBondContact O-OG 2.84Å; C199-S219 CarbonylContact C-O 3.58Å; C199-S219 VanDerWaalsContact CA-O 3.24Å; C199-S219 WeakPolarHBondContact CA-O 3.39Å; Y200-S219 PolarHBondContact N-O 3.29Å; Y200-S219 PolarHBondContact O-N 3.46Å
220	I	98.5	Very high	91.5	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	136.3	-177.9	-50.8	178.8	0	0	0	108.8	M124 V125 A192 L197 S198 L218 V227 V230 T231	M124-I220 CarbonylContact C-O 3.51Å; M124-I220 WeakPolarHBondContact CA-O 3.35Å; V125-I220 PolarHBondContact N-O 2.83Å; V125-I220 PolarHBondContact O-N 3.38Å; A192-I220 HydrophobicContact CB-CD1 4.11Å; A192-I220 HydrophobicContact CB-CG2 4.23Å; L197-I220 HydrophobicContact CB-CG2 3.95Å; L197-I220 HydrophobicContact CD1-CG2 4.04Å; S198-I220 WeakPolarHBondContact O-CA 3.45Å; L218-I220 HydrophobicContact CD1-CG1 4.42Å; L218-I220 HydrophobicContact CD2-CD1 3.85Å; L218-I220 HydrophobicContact CD2-CG1 4.09Å; L218-I220 HydrophobicContact CG-CD1 4.23Å; L218-I220 HydrophobicContact CG-CG1 3.91Å; I220-V227 HydrophobicContact CG2-CG2 4.45Å; I220-V230 HydrophobicContact CD1-CG1 4.06Å; I220-T231 HydrophobicContact CD1-CG2 3.84Å
221	F	98	Very high	93.2	Very high	1 Å²	1	33.2 Å²	33.2	0%	0.004	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	141.5	174.7	176.2	-103.2	0	0	0	111.3	Y122 K123 M124 L150 L154 S163 L164 W167 S198	Y122-F221 HydrophobicContact CD1-CE1 4.39Å; Y122-F221 HydrophobicContact CD1-CZ 4.01Å; Y122-F221 HydrophobicContact CG-CZ 4.34Å; K123-F221 WeakPolarHBondContact O-CD2 3.39Å; M124-F221 HydrophobicContact CE-CD2 3.87Å; M124-F221 HydrophobicContact CE-CE2 4.29Å; M124-F221 HydrophobicContact CE-CG 4.39Å; M124-F221 HydrophobicContact CG-CB 4.24Å; M124-F221 HydrophobicContact CG-CD2 3.56Å; M124-F221 HydrophobicContact CG-CE2 4.39Å; M124-F221 HydrophobicContact CG-CG 4.34Å; L150-F221 HydrophobicContact CD1-CB 4.4Å; L150-F221 HydrophobicContact CD2-CB 3.72Å; L150-F221 HydrophobicContact CG-CB 4.2Å; L154-F221 HydrophobicContact CD1-CB 3.81Å; L154-F221 HydrophobicContact CD1-CD1 3.43Å; L154-F221 VanDerWaalsContact CD1-CD1 3.43Å; L154-F221 HydrophobicContact CD1-CD2 4.29Å; L154-F221 HydrophobicContact CD1-CE1 4.02Å; L154-F221 HydrophobicContact CD1-CG 3.57Å; L154-F221 HydrophobicContact CD2-CD1 3.75Å; L154-F221 HydrophobicContact CD2-CE1 4.36Å; L154-F221 HydrophobicContact CG-CD1 4.26Å; S163-F221 WeakPolarHBondContact OG-CE1 3.43Å; L164-F221 HydrophobicContact CD2-CE1 4.43Å; L164-F221 HydrophobicContact CD2-CZ 4.19Å; W167-F221 HydrophobicContact CB-CE2 3.73Å; W167-F221 HydrophobicContact CB-CZ 4.03Å; W167-F221 AromaticContact CD1-CE2 3.9Å; W167-F221 HydrophobicContact CD2-CE2 4.24Å; W167-F221 AromaticContact CG-CE2 3.67Å; W167-F221 HydrophobicContact CG-CE2 3.67Å; W167-F221 HydrophobicContact CG-CZ 4.43Å; S198-F221 PolarHBondContact N-O 3.26Å; S198-F221 PolarHBondContact O-N 3.3Å
222	G	95.5	Very high	94.4	Very high	8 Å²	8	32.2 Å²	32.2	8%	0.082	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162.8	-164.7	169.2	0	0	0	0	0	112	Y122 K123	Y122-G222 WeakPolarHBondContact CA-O 3.26Å; K123-G222 PolarHBondContact N-O 2.84Å; K123-G222 VanDerWaalsContact N-O 3.09Å; K123-G222 PolarHBondContact O-N 2.89Å
223	A	91.9	Very high	95.3	Very high	23 Å²	23	37.2 Å²	37.2	19%	0.19	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	138.7	179.8	0	0	0	0	0	110.6	L121 Y122 S225 L226 V227	L121-A223 CarbonylContact O-C 3.43Å; L121-A223 WeakPolarHBondContact O-CA 3.48Å; Y122-A223 HydrophobicContact CE1-CB 4.33Å; A223-S225 VanDerWaalsContact C-N 3.29Å; A223-S225 PolarHBondContact O-N 3.2Å; A223-L226 HydrophobicContact CB-CB 4.47Å; A223-L226 HydrophobicContact CB-CD1 4.27Å; A223-L226 HydrophobicContact CB-CG 4.35Å; A223-L226 PolarHBondContact O-N 2.97Å; A223-V227 WeakPolarHBondContact O-CG2 3.4Å; A223-V227 PolarHBondContact O-N 2.92Å
224	R	91.3	Very high	95.8	Very high	77 Å²	77	36.7 Å²	36.7	29%	0.291	21%	0.208	S	C	.	.	H	α-helix	trans	-52.3	-47.4	-176.2	169.7	174.8	178.4	173.7	-5.3	112.2	N120 L121 K123 L226 V227 D228	N120-R224 PolarHBondContact ND2-NH1 3.46Å; N120-R224 WeakPolarHBondContact O-CB 3.39Å; N120-R224 WeakPolarHBondContact O-CD 3.43Å; L121-R224 PolarHBondContact O-N 3.18Å; K123-R224 HydrophobicContact CD-CB 4.19Å; K123-R224 HydrophobicContact CD-CG 4.13Å; R224-L226 VanDerWaalsContact C-N 3.32Å; R224-L226 PolarHBondContact O-N 3.16Å; R224-V227 PolarHBondContact O-N 3.37Å; R224-D228 VanDerWaalsContact CG-OD2 3.23Å; R224-D228 WeakPolarHBondContact CG-OD2 3.48Å; R224-D228 IonicContact NE-OD2 3.75Å; R224-D228 WeakPolarHBondContact O-CB 3.26Å; R224-D228 PolarHBondContact O-N 3.23Å
225	S	91.2	Very high	96.1	Very high	84 Å²	84	42.2 Å²	42.2	59%	0.587	23%	0.231	S	C	*	.	H	α-helix	trans	-58.1	-42.6	178.4	54.9	0	0	0	0	112.4	A223 L229	A223-S225 VanDerWaalsContact C-N 3.29Å; A223-S225 PolarHBondContact O-N 3.2Å; S225-L229 WeakPolarHBondContact O-CG 3.32Å; S225-L229 PolarHBondContact O-N 3.37Å
226	L	94	Very high	96.2	Very high	71 Å²	71	47.5 Å²	47.5	37%	0.372	26%	0.259	S	S	.	.	H	α-helix	trans	-71.8	-41.9	177.5	-67.1	177.9	0	0	0	112.2	L197 A223 R224 D228 L229	L197-L226 HydrophobicContact CD1-CB 4.47Å; L197-L226 HydrophobicContact CD2-CB 3.86Å; L197-L226 HydrophobicContact CG-CB 4.47Å; A223-L226 HydrophobicContact CB-CB 4.47Å; A223-L226 HydrophobicContact CB-CD1 4.27Å; A223-L226 HydrophobicContact CB-CG 4.35Å; A223-L226 PolarHBondContact O-N 2.97Å; R224-L226 VanDerWaalsContact C-N 3.32Å; R224-L226 PolarHBondContact O-N 3.16Å; L226-D228 VanDerWaalsContact C-N 3.3Å; L226-D228 PolarHBondContact O-N 2.8Å; L226-L229 HydrophobicContact CD2-CD1 4.29Å; L226-L229 WeakPolarHBondContact O-CB 3.32Å; L226-L229 PolarHBondContact O-N 3.07Å
227	V	96.8	Very high	96	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-64	-38.6	178	175	0	0	0	0	110.5	K123 V125 L197 I220 A223 R224 L229 V230 T231	K123-V227 HydrophobicContact CD-CG1 4.42Å; K123-V227 VanDerWaalsContact CE-CG1 3.42Å; K123-V227 HydrophobicContact CG-CB 4.34Å; K123-V227 HydrophobicContact CG-CG1 4.22Å; K123-V227 HydrophobicContact CG-CG2 4.45Å; V125-V227 HydrophobicContact CB-CG1 4.13Å; V125-V227 HydrophobicContact CG2-CG1 3.49Å; V125-V227 VanDerWaalsContact CG2-CG1 3.49Å; L197-V227 HydrophobicContact CD1-CG2 4.23Å; L197-V227 HydrophobicContact CD2-CG2 3.96Å; I220-V227 HydrophobicContact CG2-CG2 4.45Å; A223-V227 WeakPolarHBondContact O-CG2 3.4Å; A223-V227 PolarHBondContact O-N 2.92Å; R224-V227 PolarHBondContact O-N 3.37Å; V227-L229 VanDerWaalsContact C-N 3.29Å; V227-L229 PolarHBondContact O-N 3.44Å; V227-V230 WeakPolarHBondContact O-CB 3.38Å; V227-V230 PolarHBondContact O-N 3.32Å; V227-T231 PolarHBondContact O-N 3.33Å; V227-T231 PolarHBondContact O-OG1 3.43Å; V227-T231 VanDerWaalsContact O-OG1 3.11Å
228	D	95.8	Very high	95.9	Very high	58 Å²	58	55.2 Å²	55.2	31%	0.31	30%	0.3	S	S	.	.	H	α-helix	trans	-66.5	-27.1	177.6	-77.8	-34.7	0	0	0	113.5	K123 R224 L226 V230 G232	K123-D228 IonicContact NZ-OD1 3.98Å; K123-D228 PolarHBondContact NZ-OD1 2.87Å; K123-D228 IonicContact NZ-OD2 3.37Å; K123-D228 PolarHBondContact NZ-OD2 3.05Å; R224-D228 VanDerWaalsContact CG-OD2 3.23Å; R224-D228 WeakPolarHBondContact CG-OD2 3.48Å; R224-D228 IonicContact NE-OD2 3.75Å; R224-D228 WeakPolarHBondContact O-CB 3.26Å; R224-D228 PolarHBondContact O-N 3.23Å; L226-D228 VanDerWaalsContact C-N 3.3Å; L226-D228 PolarHBondContact O-N 2.8Å; D228-V230 PolarHBondContact O-N 3.09Å; D228-G232 VanDerWaalsContact O-CA 3.29Å; D228-G232 WeakPolarHBondContact O-CA 3.47Å; D228-G232 PolarHBondContact O-N 3.21Å
229	L	96.2	Very high	95.8	Very high	112 Å²	112	58.1 Å²	58.1	59%	0.586	32%	0.316	S	S	*	.	H	α-helix	trans	-63.3	-21.8	170.2	-63.8	175.4	0	0	0	113	S225 L226 V227	S225-L229 WeakPolarHBondContact O-CG 3.32Å; S225-L229 PolarHBondContact O-N 3.37Å; L226-L229 HydrophobicContact CD2-CD1 4.29Å; L226-L229 WeakPolarHBondContact O-CB 3.32Å; L226-L229 PolarHBondContact O-N 3.07Å; V227-L229 VanDerWaalsContact C-N 3.29Å; V227-L229 PolarHBondContact O-N 3.44Å
230	V	97.6	Very high	95.6	Very high	11 Å²	11	61.3 Å²	61.3	7%	0.067	33%	0.333	C	S	.	.	H	α-helix	trans	-99	-41.8	179.2	-175.1	0	0	0	0	111.3	L188 L191 A192 K195 L197 I220 V227 D228	L188-V230 HydrophobicContact CB-CG1 4.43Å; L188-V230 HydrophobicContact CD2-CG1 4.05Å; L188-V230 VanDerWaalsContact CD2-O 3.3Å; L188-V230 WeakPolarHBondContact CD2-O 3.44Å; L191-V230 HydrophobicContact CB-CG1 4.44Å; L191-V230 HydrophobicContact CD2-CB 4.45Å; L191-V230 HydrophobicContact CD2-CG1 4.2Å; L191-V230 HydrophobicContact CD2-CG2 4.46Å; L191-V230 HydrophobicContact CG-CG1 4.34Å; L191-V230 HydrophobicContact CG-CG2 4.18Å; A192-V230 HydrophobicContact CB-CG1 4.2Å; A192-V230 HydrophobicContact CB-CG2 4.3Å; K195-V230 HydrophobicContact CG-CG2 4.45Å; L197-V230 HydrophobicContact CD1-CG2 3.7Å; I220-V230 HydrophobicContact CD1-CG1 4.06Å; V227-V230 WeakPolarHBondContact O-CB 3.38Å; V227-V230 PolarHBondContact O-N 3.32Å; D228-V230 PolarHBondContact O-N 3.09Å
231	T	97.8	Very high	95.5	Very high	2 Å²	2	64.9 Å²	64.9	1%	0.012	35%	0.353	C	S	.	.	H	α-helix	trans	-118.1	-1.7	-166.6	66	0	0	0	0	114.9	V125 V127 L177 I220 V227 E233 L234	V125-T231 HydrophobicContact CG1-CG2 3.97Å; V127-T231 HydrophobicContact CG2-CG2 4.25Å; L177-T231 HydrophobicContact CD1-CG2 4.46Å; I220-T231 HydrophobicContact CD1-CG2 3.84Å; V227-T231 PolarHBondContact O-N 3.33Å; V227-T231 PolarHBondContact O-OG1 3.43Å; V227-T231 VanDerWaalsContact O-OG1 3.11Å; T231-E233 PolarHBondContact O-N 3.09Å; T231-L234 HydrophobicContact CG2-CD1 4.19Å; T231-L234 WeakPolarHBondContact O-CB 3.32Å; T231-L234 PolarHBondContact O-N 3.44Å
232	G	95.7	Very high	95.3	Very high	49 Å²	49	68.9 Å²	68.9	51%	0.505	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-24.9	-171.3	0	0	0	0	0	114.8	D228	D228-G232 VanDerWaalsContact O-CA 3.29Å; D228-G232 WeakPolarHBondContact O-CA 3.47Å; D228-G232 PolarHBondContact O-N 3.21Å
233	E	96.1	Very high	95.3	Very high	198 Å²	198	72.9 Å²	72.9	93%	0.925	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-6.4	177.8	-60.3	-173.8	168	0	0	113.6	T231	T231-E233 PolarHBondContact O-N 3.09Å
234	L	97.7	Very high	95.5	Very high	33 Å²	33	76.5 Å²	76.5	17%	0.173	41%	0.408	C	S	.	.	S	Bend	trans	-79.8	143.3	-178.3	-56.6	179.9	0	0	0	111.1	V127 L177 L188 T231	V127-L234 HydrophobicContact CG1-CD1 3.97Å; V127-L234 HydrophobicContact CG2-CD1 3.74Å; L177-L234 HydrophobicContact CB-CB 4.09Å; L177-L234 HydrophobicContact CB-CD1 4.31Å; L177-L234 HydrophobicContact CD1-CB 4.01Å; L177-L234 HydrophobicContact CD1-CD1 4.2Å; L177-L234 HydrophobicContact CG-CB 4.48Å; L188-L234 HydrophobicContact CD1-CD1 3.83Å; L188-L234 HydrophobicContact CD1-CD2 4.48Å; T231-L234 HydrophobicContact CG2-CD1 4.19Å; T231-L234 WeakPolarHBondContact O-CB 3.32Å; T231-L234 PolarHBondContact O-N 3.44Å
235	Q	96.8	Very high	95.9	Very high	140 Å²	140	76.5 Å²	76.5	65%	0.654	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-76.1	149.8	174.8	-64.8	179.6	-24.4	0	0	110.9	L177 K178	L177-Q235 CarbonylContact C-O 3.57Å; L177-Q235 WeakPolarHBondContact CA-O 3.37Å; K178-Q235 HydrophobicContact CB-CB 4.48Å; K178-Q235 PolarHBondContact N-O 2.93Å
236	L	97.2	Very high	96.2	Very high	130 Å²	130	75.8 Å²	75.8	68%	0.681	40%	0.403	S	S	*	.	B	Isolated β-bridge	trans	-57.5	145.6	164.2	-65.3	171.3	0	0	0	109.9	I175 L177	I175-L236 HydrophobicContact CG2-CD2 3.81Å; L177-L236 HydrophobicContact CD2-CD2 3.88Å
237	L	93.3	Very high	96.5	Very high	106 Å²	106	76.3 Å²	76.3	56%	0.555	41%	0.406	S	S	*	.			trans	-66.4	0	-178.4	-177.5	66.1	0	0	0	113.2	V128 I139 V176 K178	V128-L237 HydrophobicContact CB-CD1 4.18Å; V128-L237 HydrophobicContact CB-CD2 4.09Å; V128-L237 HydrophobicContact CG1-CD1 4.42Å; V128-L237 HydrophobicContact CG1-CD2 4.33Å; V128-L237 HydrophobicContact CG2-CD2 3.83Å; I139-L237 HydrophobicContact CD1-CD2 4.28Å; I139-L237 HydrophobicContact CG2-CD2 3.53Å; V176-L237 HydrophobicContact CB-CB 4.45Å; V176-L237 HydrophobicContact CG1-CB 3.97Å; V176-L237 HydrophobicContact CG1-CD2 3.55Å; V176-L237 HydrophobicContact CG1-CG 4.43Å; V176-L237 PolarHBondContact O-N 3.35Å; K178-L237 HydrophobicContact CB-CD1 4.48Å; K178-L237 HydrophobicContact CG-CD1 4.34Å

Retrieved 237 of 237 residues in 183.1 ms (Link to these results)

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