A0A3Q0KHC9_SCHMA Loading...

MRP-S28 domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KHC9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 389 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	39.7	Very low	35.4	Very low	247 Å²	247	170.6 Å²	170.6	100%	1.217	87%	0.866	S	S	*	*				0	128.8	0	-82.4	175.1	161.6	0	0	108.3
2	R	35.5	Very low	35.4	Very low	232 Å²	232	166.5 Å²	166.5	88%	0.875	86%	0.864	S	S	*	*			trans	-81.1	127.1	-155.9	-68.7	174.4	175.1	171.9	-2	112.9
3	L	37.5	Very low	35.1	Very low	174 Å²	174	166.8 Å²	166.8	91%	0.911	87%	0.866	S	S	*	*			trans	-90.7	133	157.3	-74	161.8	0	0	0	108.3
4	R	36.8	Very low	35.1	Very low	224 Å²	224	167.6 Å²	167.6	85%	0.845	87%	0.871	S	S	*	*			trans	-128.3	125.1	168.1	-85.9	-170.2	173.3	-172.9	-1.6	109.6
5	P	34.5	Very low	35.2	Very low	117 Å²	117	162 Å²	162	76%	0.76	86%	0.859	S	S	*	*			trans	-105	-174.1	164.7	37.5	-27.5	0	0	0	111.5
6	S	32.8	Very low	35.4	Very low	106 Å²	106	161.2 Å²	161.2	74%	0.741	86%	0.855	S	S	*	*			trans	92.4	142.7	173.8	85.6	0	0	0	0	114.8
7	L	37.4	Very low	35.8	Very low	140 Å²	140	159.2 Å²	159.2	73%	0.733	85%	0.85	S	S	*	*			cis	-149.7	147.7	36.9	-84.8	107.3	0	0	0	113	F9	L7-F9 HydrophobicContact CD2-CD2 4.37Å; L7-F9 HydrophobicContact CD2-CE2 4.37Å
8	A	34.4	Very low	35.9	Very low	99 Å²	99	154.5 Å²	154.5	82%	0.818	85%	0.846	S	S	*	*			trans	-87.9	147.4	154	0	0	0	0	0	109.5
9	F	34.1	Very low	35.9	Very low	196 Å²	196	159.8 Å²	159.8	86%	0.86	85%	0.852	S	S	*	*			trans	-128.1	128.6	172.9	-128	-91.9	0	0	0	112	L7	L7-F9 HydrophobicContact CD2-CD2 4.37Å; L7-F9 HydrophobicContact CD2-CE2 4.37Å
10	R	36.2	Very low	35.9	Very low	237 Å²	237	163 Å²	163	89%	0.894	85%	0.852	S	S	*	*			trans	-74.1	150	176.6	-98.1	174.4	164.3	170.4	-5.4	111.5
11	A	30.9	Very low	36.1	Very low	105 Å²	105	161.8 Å²	161.8	87%	0.868	85%	0.847	S	S	*	*			trans	-86.7	151.1	167	0	0	0	0	0	112
12	S	35	Very low	36.1	Very low	121 Å²	121	158.1 Å²	158.1	85%	0.846	83%	0.826	S	S	*	*			trans	-138.9	125.8	168.1	57.8	0	0	0	0	110.6
13	L	31.2	Very low	36.3	Very low	171 Å²	171	152.2 Å²	152.2	90%	0.895	82%	0.821	S	S	*	*			trans	-77	146	169.2	-94.2	107.2	0	0	0	111.3
14	L	36.2	Very low	36.4	Very low	178 Å²	178	149 Å²	149	93%	0.932	81%	0.813	S	S	*	*			trans	-140	131.8	153.7	-91	165.1	0	0	0	109.6
15	A	35.5	Very low	36.6	Very low	83 Å²	83	144 Å²	144	69%	0.686	81%	0.812	S	S	*	*			trans	-101.1	155	177.8	0	0	0	0	0	110.7
16	N	39	Very low	36.8	Very low	149 Å²	149	147 Å²	147	80%	0.797	82%	0.821	S	S	*	*			trans	-162	110.7	154.5	-101	-10.8	0	0	0	108.3
17	T	42.2	Very low	37.3	Very low	127 Å²	127	149.6 Å²	149.6	78%	0.779	83%	0.827	S	S	*	*				49.3	115.6	101.1	66.1	0	0	0	0	112.7
18	G	37	Very low	37.3	Very low	75 Å²	75	148 Å²	148	77%	0.773	83%	0.826	S	S	*	*			cis	111.3	107.8	32.6	0	0	0	0	0	109.2
19	R	37.1	Very low	38.2	Very low	256 Å²	256	151.7 Å²	151.7	97%	0.966	83%	0.826	S	S	*	*			trans	-162.6	129.2	155	-111.9	174.6	-171.6	-175.4	2.1	111.8
20	R	36.1	Very low	38.7	Very low	222 Å²	222	152.2 Å²	152.2	84%	0.838	83%	0.831	S	S	*	*			trans	-87	164.1	179.6	-74.3	173.3	166.6	166.4	-5.8	111.3
21	N	39.2	Very low	39.9	Very low	139 Å²	139	149.9 Å²	149.9	74%	0.743	83%	0.827	S	S	*	*				176.5	112.3	125.1	-79.4	-5.9	0	0	0	107.1
22	E	39.7	Very low	41.1	Very low	170 Å²	170	155 Å²	155	79%	0.794	83%	0.831	S	S	*	*				62.1	132.7	90.8	-70.6	179.8	-172.8	0	0	111.9
23	S	40.4	Very low	42.5	Very low	108 Å²	108	157.2 Å²	157.2	76%	0.755	83%	0.832	S	S	*	*			cis	-172.2	154.7	9.1	46.3	0	0	0	0	104
24	S	38.7	Very low	44.2	Very low	107 Å²	107	154 Å²	154	75%	0.748	82%	0.821	S	S	*	*				157	130.6	75	49.9	0	0	0	0	108.1
25	S	40.8	Very low	45.7	Very low	119 Å²	119	152.4 Å²	152.4	83%	0.832	81%	0.813	S	S	*	*			trans	165.2	119.9	131.3	60.5	0	0	0	0	109.5
26	L	38.4	Very low	47	Very low	178 Å²	178	156.4 Å²	156.4	93%	0.932	82%	0.817	S	S	*	*			trans	-73.7	140.8	-175.1	-66.2	110.7	0	0	0	111.8
27	D	43.8	Very low	48.5	Very low	162 Å²	162	153.6 Å²	153.6	87%	0.866	80%	0.801	S	S	*	*			trans	-140.1	132.4	149.3	-139.6	-5.4	0	0	0	110.6	H29	D27-H29 PolarHBondContact O-N 3.41Å
28	C	37.6	Very low	49.2	Very low	107 Å²	107	159 Å²	159	72%	0.723	81%	0.808	S	S	*	*			trans	-95.4	97.5	-157.7	56	0	0	0	0	112.2
29	H	53.4	Low	50.4	Low	176 Å²	176	158.4 Å²	158.4	82%	0.815	80%	0.801	S	S	*	*			trans	-138.3	105.9	156.6	-88.6	-71.2	0	0	0	109.1	D27 K31	D27-H29 PolarHBondContact O-N 3.41Å; H29-K31 PolarHBondContact O-N 3.1Å
30	Q	44.6	Very low	51.5	Low	207 Å²	207	152.5 Å²	152.5	97%	0.967	79%	0.788	S	S	*	*			trans	-55.9	92.1	175.5	-80.3	169	-32.7	0	0	110.8
31	K	61.2	Low	52.3	Low	188 Å²	188	145.6 Å²	145.6	82%	0.817	77%	0.768	S	S	*	*			trans	-101.2	126.4	161.7	-79	177.3	176.5	173.6	0	107.1	H29 L33	H29-K31 PolarHBondContact O-N 3.1Å; K31-L33 PolarHBondContact O-N 3.27Å; K31-L33 VanDerWaalsContact O-N 3.17Å
32	F	55.4	Low	53.1	Low	213 Å²	213	143.7 Å²	143.7	93%	0.934	76%	0.757	S	S	*	*			trans	-44.8	122.3	172.9	-85.4	-93.2	0	0	0	110.2	P34	F32-P34 WeakPolarHBondContact O-CD 3.33Å
33	L	65.4	Low	53.8	Low	166 Å²	166	141.1 Å²	141.1	87%	0.869	76%	0.756	S	S	*	*			trans	-67.4	121.3	170.1	-74.9	166.7	0	0	0	107.6	K31 L35	K31-L33 PolarHBondContact O-N 3.27Å; K31-L33 VanDerWaalsContact O-N 3.17Å; L33-L35 PolarHBondContact O-N 3.04Å
34	P	66.7	Low	54.4	Low	103 Å²	103	145.6 Å²	145.6	67%	0.669	76%	0.761	S	S	*	*			trans	-60.5	139.7	177	23.6	-30.9	0	0	0	110.2	F32 E36	F32-P34 WeakPolarHBondContact O-CD 3.33Å; P34-E36 PolarHBondContact O-N 3.4Å; P34-E36 VanDerWaalsContact O-N 3.07Å
35	L	67.4	Low	54.8	Low	146 Å²	146	145.2 Å²	145.2	76%	0.764	76%	0.759	S	S	*	*			trans	-67	105	-179	-140.2	142.3	0	0	0	109	L33 I37 N41	L33-L35 PolarHBondContact O-N 3.04Å; L35-I37 HydrophobicContact CD2-CG1 4.31Å; L35-I37 PolarHBondContact O-N 3.08Å; L35-N41 PolarHBondContact O-ND2 3.12Å; L35-N41 VanDerWaalsContact O-ND2 3.08Å
36	E	63.3	Low	55.1	Low	167 Å²	167	148 Å²	148	78%	0.78	76%	0.756	S	S	*	*			trans	-78.1	96	175.3	-73	-174.7	172.1	0	0	110.2	P34 R38	P34-E36 PolarHBondContact O-N 3.4Å; P34-E36 VanDerWaalsContact O-N 3.07Å; E36-R38 PolarHBondContact O-N 2.67Å
37	I	69.2	Low	55.5	Low	90 Å²	90	146.4 Å²	146.4	46%	0.462	75%	0.748	S	S	.	*			trans	-72.7	109.1	167.7	-57.6	171.8	0	0	0	107.2	L35 G39 L40 N41	L35-I37 HydrophobicContact CD2-CG1 4.31Å; L35-I37 PolarHBondContact O-N 3.08Å; I37-G39 PolarHBondContact O-N 3.23Å; I37-G39 VanDerWaalsContact O-N 3.14Å; I37-L40 HydrophobicContact CB-CB 3.88Å; I37-L40 HydrophobicContact CD1-CD2 4.48Å; I37-L40 HydrophobicContact CG2-CB 3.9Å; I37-L40 PolarHBondContact O-N 3.12Å; I37-N41 PolarHBondContact O-N 3.4Å
38	R	57.2	Low	55.6	Low	241 Å²	241	145.1 Å²	145.1	91%	0.909	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-49.8	119.6	171	-85.7	-176.2	172.1	179.4	-1.7	109.2	E36	E36-R38 PolarHBondContact O-N 2.67Å
39	G	61.9	Low	56.1	Low	62 Å²	62	148.8 Å²	148.8	64%	0.639	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	96.9	-16.3	-177.7	0	0	0	0	0	116.5	I37 D42	I37-G39 PolarHBondContact O-N 3.23Å; I37-G39 VanDerWaalsContact O-N 3.14Å; G39-D42 VanDerWaalsContact CA-OD2 3.28Å; G39-D42 WeakPolarHBondContact CA-OD2 3.44Å; G39-D42 PolarHBondContact N-OD2 3.4Å
40	L	61.2	Low	56.1	Low	132 Å²	132	148 Å²	148	69%	0.691	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.2	-34.6	178.8	-142.6	110.5	0	0	0	112.6	I37	I37-L40 HydrophobicContact CB-CB 3.88Å; I37-L40 HydrophobicContact CD1-CD2 4.48Å; I37-L40 HydrophobicContact CG2-CB 3.9Å; I37-L40 PolarHBondContact O-N 3.12Å
41	N	53.1	Low	56.5	Low	77 Å²	77	145.9 Å²	145.9	41%	0.412	73%	0.734	S	S	.	*	S	Bend	trans	-108.3	9.4	-175.6	-69.4	-9.6	0	0	0	113.8	L35 I37 P43	L35-N41 PolarHBondContact O-ND2 3.12Å; L35-N41 VanDerWaalsContact O-ND2 3.08Å; I37-N41 PolarHBondContact O-N 3.4Å; N41-P43 WeakPolarHBondContact O-CD 3.15Å; N41-P43 WeakPolarHBondContact O-CG 3.36Å
42	D	55.8	Low	56.5	Low	98 Å²	98	144 Å²	144	52%	0.524	73%	0.732	S	S	.	*			trans	-65.6	102.4	179.4	-71.3	-44	0	0	0	110.7	G39 K44	G39-D42 VanDerWaalsContact CA-OD2 3.28Å; G39-D42 WeakPolarHBondContact CA-OD2 3.44Å; G39-D42 PolarHBondContact N-OD2 3.4Å; D42-K44 PolarHBondContact O-N 3.34Å
43	P	53.5	Low	57	Low	117 Å²	117	143 Å²	143	76%	0.76	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.2	10.4	-174	-0.2	19	0	0	0	112.4	N41	N41-P43 WeakPolarHBondContact O-CD 3.15Å; N41-P43 WeakPolarHBondContact O-CG 3.36Å
44	K	53.1	Low	57.3	Low	201 Å²	201	144.5 Å²	144.5	87%	0.874	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.8	15.1	-168.5	-63.6	-172.2	178.2	178.4	0	114.4	D42	D42-K44 PolarHBondContact O-N 3.34Å
45	S	47.6	Very low	57.5	Low	100 Å²	100	148.2 Å²	148.2	70%	0.699	74%	0.736	S	S	*	*			trans	-120.3	26.4	168.8	-179.4	0	0	0	0	112.6	D47	S45-D47 PolarHBondContact O-N 3.28Å
46	K	47.6	Very low	57.8	Low	176 Å²	176	150 Å²	150	77%	0.765	74%	0.737	S	S	*	*			trans	-85.3	63.4	158.2	-71.3	-177.6	-178.1	177.4	0	108.5	N48	K46-N48 PolarHBondContact O-N 3.42Å
47	D	47.2	Very low	58.2	Low	145 Å²	145	147.4 Å²	147.4	78%	0.775	74%	0.735	S	S	*	*			trans	-60.7	96.5	148	-87.4	-14.6	0	0	0	104.5	S45 K49	S45-D47 PolarHBondContact O-N 3.28Å; D47-K49 PolarHBondContact O-N 2.99Å
48	N	45.8	Very low	58.4	Low	135 Å²	135	147.1 Å²	147.1	72%	0.722	74%	0.737	S	S	*	*			trans	-58	75.8	164.1	-72.5	-31.8	0	0	0	106.7	K46 Q50	K46-N48 PolarHBondContact O-N 3.42Å; N48-Q50 PolarHBondContact O-N 3.3Å
49	K	48.6	Very low	59.5	Low	185 Å²	185	138.2 Å²	138.2	80%	0.804	71%	0.707	S	S	*	*			trans	-60.6	85.2	144.7	-73.6	-178.2	-178.3	174	0	103.1	D47 M51	D47-K49 PolarHBondContact O-N 2.99Å; K49-M51 VanDerWaalsContact C-N 3.27Å; K49-M51 PolarHBondContact O-N 2.67Å
50	Q	52.6	Low	60.3	Low	159 Å²	159	138.7 Å²	138.7	74%	0.743	70%	0.695	S	S	*	*			trans	-43.5	109.5	158.8	-76	179.7	-9.6	0	0	103.4	N48 L52	N48-Q50 PolarHBondContact O-N 3.3Å; Q50-L52 PolarHBondContact O-N 3.37Å
51	M	53.9	Low	61.3	Low	163 Å²	163	133.6 Å²	133.6	80%	0.803	67%	0.667	S	S	*	*			trans	-61.1	98.3	169.5	-73.3	-166.4	76.2	0	0	103	K49 F53	K49-M51 VanDerWaalsContact C-N 3.27Å; K49-M51 PolarHBondContact O-N 2.67Å; M51-F53 PolarHBondContact O-N 3.32Å
52	L	60.4	Low	62.6	Low	149 Å²	149	135.5 Å²	135.5	78%	0.78	67%	0.674	S	S	*	*			trans	-59.8	96.8	170.8	-75.7	165.8	0	0	0	104.1	Q50 K54	Q50-L52 PolarHBondContact O-N 3.37Å; L52-K54 VanDerWaalsContact C-N 3.3Å; L52-K54 PolarHBondContact O-N 3.33Å
53	F	64.8	Low	63.6	Low	192 Å²	192	136.5 Å²	136.5	84%	0.842	67%	0.674	S	S	*	*			trans	-59.6	104	168	-86.1	-84.3	0	0	0	104.9	M51 E55	M51-F53 PolarHBondContact O-N 3.32Å; F53-E55 PolarHBondContact O-N 2.9Å
54	K	72.2	Confident	64.5	Low	197 Å²	197	137.1 Å²	137.1	86%	0.857	66%	0.664	S	S	*	*			trans	-63.6	109.2	167.4	-74.2	-176.4	177.7	-179.9	0	105.6	L52 K56	L52-K54 VanDerWaalsContact C-N 3.3Å; L52-K54 PolarHBondContact O-N 3.33Å; K54-K56 PolarHBondContact O-N 2.98Å
55	E	71.2	Confident	65.3	Low	181 Å²	181	137.4 Å²	137.4	85%	0.846	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-50.1	135.8	173.6	-71.1	-176.5	166.3	0	0	108.9	F53	F53-E55 PolarHBondContact O-N 2.9Å
56	K	73	Confident	66.3	Low	182 Å²	182	140 Å²	140	79%	0.791	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-61.1	124.6	176.8	-71.1	-179.2	-178.8	176.4	0	107.2	K54 V58	K54-K56 PolarHBondContact O-N 2.98Å; K56-V58 PolarHBondContact O-N 3.44Å
57	P	71.8	Confident	67.2	Low	114 Å²	114	141.3 Å²	141.3	74%	0.74	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-59.6	132.5	178.7	23.9	-32.5	0	0	0	109.4	I59	P57-I59 PolarHBondContact O-N 3.33Å
58	V	74.3	Confident	68.5	Low	83 Å²	83	137.6 Å²	137.6	50%	0.503	65%	0.652	S	S	.	*	P	Polyproline II helix	trans	-51.8	138.2	172.2	178	0	0	0	0	109.2	K56 L60 E62 K63	K56-V58 PolarHBondContact O-N 3.44Å; V58-L60 PolarHBondContact O-N 3.5Å; V58-E62 HydrophobicContact CG1-CB 4.44Å; V58-K63 HydrophobicContact CB-CG 4.45Å; V58-K63 HydrophobicContact CG1-CG 4.02Å; V58-K63 WeakPolarHBondContact O-CE 3.38Å
59	I	79.8	Confident	70.4	Confident	54 Å²	54	134.3 Å²	134.3	28%	0.277	63%	0.634	S	S	.	*	P	Polyproline II helix	trans	-59.9	131.3	-176.4	-64.3	169.1	0	0	0	110.2	P57 H61 E62 K63 S83	P57-I59 PolarHBondContact O-N 3.33Å; I59-H61 WeakPolarHBondContact CG2-CE1 3.19Å; I59-H61 WeakPolarHBondContact CG2-ND1 3.34Å; I59-H61 PolarHBondContact O-N 3.05Å; I59-E62 HydrophobicContact CB-CG 4.22Å; I59-E62 HydrophobicContact CG2-CG 4.48Å; I59-E62 WeakPolarHBondContact O-CB 3.38Å; I59-E62 PolarHBondContact O-N 3.08Å; I59-K63 PolarHBondContact O-N 3.22Å; I59-S83 VanDerWaalsContact CG2-O 3.28Å; I59-S83 WeakPolarHBondContact CG2-O 3.2Å
60	L	79.7	Confident	72.3	Confident	73 Å²	73	127.2 Å²	127.2	38%	0.382	60%	0.602	S	S	.	*	H	α-helix	trans	-59.6	-40.3	-169.6	-67.7	173.4	0	0	0	113.5	V58 E62 K63 F64 S83 L84	V58-L60 PolarHBondContact O-N 3.5Å; L60-E62 PolarHBondContact O-N 2.96Å; L60-K63 WeakPolarHBondContact O-CB 3.49Å; L60-K63 PolarHBondContact O-N 3.37Å; L60-K63 VanDerWaalsContact O-N 3.13Å; L60-F64 WeakPolarHBondContact O-CD2 3.4Å; L60-F64 PolarHBondContact O-N 2.82Å; L60-S83 PolarHBondContact N-O 2.74Å; L60-L84 HydrophobicContact CB-CD2 4.15Å; L60-L84 HydrophobicContact CD1-CD2 3.49Å; L60-L84 VanDerWaalsContact CD1-CD2 3.49Å; L60-L84 HydrophobicContact CD1-CG 4.37Å; L60-L84 HydrophobicContact CG-CD2 4.47Å
61	H	80.3	Confident	74.1	Confident	24 Å²	24	120.3 Å²	120.3	11%	0.111	57%	0.571	C	S	.	*	H	α-helix	trans	-68.6	-21.4	179.2	67.2	-96.3	0	0	0	114.2	I59 K63 S83 V85 P86 K107	I59-H61 WeakPolarHBondContact CG2-CE1 3.19Å; I59-H61 WeakPolarHBondContact CG2-ND1 3.34Å; I59-H61 PolarHBondContact O-N 3.05Å; H61-K63 VanDerWaalsContact C-N 3.34Å; H61-S83 PolarHBondContact N-O 2.95Å; H61-S83 PolarHBondContact ND1-O 3.31Å; H61-V85 PolarHBondContact CE1-O 3.46Å; H61-V85 PolarHBondContact ND1-O 2.86Å; H61-P86 HydrophobicContact CB-CB 4.01Å; H61-K107 PolarHBondContact CE1-NZ 3.06Å; H61-K107 PolarHBondContact NE2-NZ 3.24Å
62	E	80.7	Confident	75.7	Confident	118 Å²	118	118.6 Å²	118.6	55%	0.551	57%	0.565	S	S	*	*	H	α-helix	trans	-75.7	-27.2	173.9	-63.4	179.1	159.9	0	0	111.3	V58 I59 L60	V58-E62 HydrophobicContact CG1-CB 4.44Å; I59-E62 HydrophobicContact CB-CG 4.22Å; I59-E62 HydrophobicContact CG2-CG 4.48Å; I59-E62 WeakPolarHBondContact O-CB 3.38Å; I59-E62 PolarHBondContact O-N 3.08Å; L60-E62 PolarHBondContact O-N 2.96Å
63	K	78.2	Confident	77	Confident	119 Å²	119	113.3 Å²	113.3	52%	0.517	54%	0.539	S	S	.	.	H	α-helix	trans	-74.7	-33.4	178.8	-65.4	-173.5	-179.7	-173.9	0	113.9	V58 I59 L60 H61	V58-K63 HydrophobicContact CB-CG 4.45Å; V58-K63 HydrophobicContact CG1-CG 4.02Å; V58-K63 WeakPolarHBondContact O-CE 3.38Å; I59-K63 PolarHBondContact O-N 3.22Å; L60-K63 WeakPolarHBondContact O-CB 3.49Å; L60-K63 PolarHBondContact O-N 3.37Å; L60-K63 VanDerWaalsContact O-N 3.13Å; H61-K63 VanDerWaalsContact C-N 3.34Å
64	F	72.6	Confident	78.3	Confident	130 Å²	130	104.5 Å²	104.5	57%	0.57	50%	0.5	S	S	*	.	S	Bend	trans	-112.5	10.3	-167.2	-64.8	-70.4	0	0	0	114.5	L60 D66 F67 I68	L60-F64 WeakPolarHBondContact O-CD2 3.4Å; L60-F64 PolarHBondContact O-N 2.82Å; F64-D66 PolarHBondContact O-N 3.21Å; F64-F67 PolarHBondContact O-N 3.21Å; F64-I68 HydrophobicContact CB-CD1 3.36Å; F64-I68 HydrophobicContact CB-CG1 3.61Å; F64-I68 WeakPolarHBondContact O-CD1 3.03Å; F64-I68 WeakPolarHBondContact O-CG1 3.31Å
65	R	68	Low	79.3	Confident	207 Å²	207	99.2 Å²	99.2	78%	0.781	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-39.2	-35.3	-163.1	-163.9	174.5	-172.6	175	-1.4	116.9
66	D	69	Low	80.4	Confident	154 Å²	154	93.4 Å²	93.4	82%	0.824	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	-9.7	-165	-54.6	-28.4	0	0	0	115.2	F64	F64-D66 PolarHBondContact O-N 3.21Å
67	F	66.7	Low	81.5	Confident	203 Å²	203	88.4 Å²	88.4	89%	0.89	46%	0.461	S	S	*	.	S	Bend	trans	-130.9	21	-175	-156.5	-99.8	0	0	0	114.7	F64 D69	F64-F67 PolarHBondContact O-N 3.21Å; F67-D69 PolarHBondContact O-N 3.37Å
68	I	75.3	Confident	82.5	Confident	68 Å²	68	85.5 Å²	85.5	35%	0.349	45%	0.447	S	S	.	.			trans	-89.1	108	-171.6	-44.3	-168.2	0	0	0	111.8	F64 W70 V73	F64-I68 HydrophobicContact CB-CD1 3.36Å; F64-I68 HydrophobicContact CB-CG1 3.61Å; F64-I68 WeakPolarHBondContact O-CD1 3.03Å; F64-I68 WeakPolarHBondContact O-CG1 3.31Å; I68-W70 PolarHBondContact O-N 2.91Å; I68-V73 HydrophobicContact CG2-CB 4.41Å; I68-V73 HydrophobicContact CG2-CG2 3.03Å
69	D	84.7	Confident	83.4	Confident	66 Å²	66	86.1 Å²	86.1	35%	0.353	45%	0.451	S	S	.	.			trans	-69.9	111.7	158.5	-168.7	-20.4	0	0	0	108.7	F67 T71 N72 K129	F67-D69 PolarHBondContact O-N 3.37Å; D69-T71 PolarHBondContact O-N 3.37Å; D69-T71 WeakPolarHBondContact OD1-CB 3.42Å; D69-T71 PolarHBondContact OD1-N 3.2Å; D69-T71 PolarHBondContact OD1-OG1 3.04Å; D69-T71 PolarHBondContact OD2-OG1 3.17Å; D69-T71 VanDerWaalsContact OD2-OG1 3.05Å; D69-N72 PolarHBondContact O-N 3.46Å; D69-K129 IonicContact OD1-NZ 2.67Å; D69-K129 IonicContact OD2-NZ 2.77Å; D69-K129 PolarHBondContact OD2-NZ 3.5Å
70	W	88.7	Confident	84.1	Confident	36 Å²	36	84.6 Å²	84.6	14%	0.136	44%	0.442	C	S	.	.	H	α-helix	trans	-52	-30.4	178.1	-176.2	-108.1	0	0	0	112.4	I68 N72 V73 W74 V85 P86 F87 L120 H126	I68-W70 PolarHBondContact O-N 2.91Å; W70-N72 PolarHBondContact O-N 3.49Å; W70-V73 HydrophobicContact CE3-CB 4.31Å; W70-V73 HydrophobicContact CE3-CG1 4.43Å; W70-V73 HydrophobicContact CZ3-CG1 4.12Å; W70-V73 PolarHBondContact O-N 3.44Å; W70-W74 HydrophobicContact CH2-CE3 4.38Å; W70-W74 HydrophobicContact CZ2-CB 4.12Å; W70-W74 HydrophobicContact CZ2-CG 4.49Å; W70-W74 PolarHBondContact O-N 2.86Å; W70-V85 HydrophobicContact CH2-CG2 4.41Å; W70-P86 HydrophobicContact CZ3-CG 4.27Å; W70-F87 HydrophobicContact CH2-CE2 4.42Å; W70-F87 HydrophobicContact CZ3-CE2 4.48Å; W70-L120 HydrophobicContact CH2-CD1 4.38Å; W70-L120 HydrophobicContact CZ2-CB 3.84Å; W70-L120 HydrophobicContact CZ2-CD1 4.15Å; W70-L120 HydrophobicContact CZ2-CD2 3.87Å; W70-L120 HydrophobicContact CZ2-CG 4.12Å; W70-L120 PolarHBondContact NE1-O 3.32Å; W70-H126 AromaticContact CD1-CE1 3.53Å; W70-H126 AromaticContact CD1-ND1 3.89Å; W70-H126 AromaticContact NE1-CE1 3.91Å
71	T	89.6	Confident	84.7	Confident	13 Å²	13	85 Å²	85	8%	0.08	44%	0.442	C	S	.	.	H	α-helix	trans	-64.6	-22.9	179.8	63.1	0	0	0	0	114.6	D69 H126 K129	D69-T71 PolarHBondContact O-N 3.37Å; D69-T71 WeakPolarHBondContact OD1-CB 3.42Å; D69-T71 PolarHBondContact OD1-N 3.2Å; D69-T71 PolarHBondContact OD1-OG1 3.04Å; D69-T71 PolarHBondContact OD2-OG1 3.17Å; D69-T71 VanDerWaalsContact OD2-OG1 3.05Å; T71-H126 VanDerWaalsContact CA-CE1 3.47Å; T71-H126 WeakPolarHBondContact CA-CE1 3.39Å; T71-H126 VanDerWaalsContact CA-NE2 3.32Å; T71-H126 WeakPolarHBondContact CA-NE2 3.41Å; T71-H126 PolarHBondContact O-NE2 3.36Å; T71-K129 HydrophobicContact CG2-CD 4.13Å; T71-K129 PolarHBondContact OG1-NZ 2.99Å
72	N	88.3	Confident	85.2	Confident	128 Å²	128	86.3 Å²	86.3	68%	0.684	45%	0.448	S	S	*	.	H	α-helix	trans	-92.4	-24.9	176.4	-67.2	-25.7	0	0	0	112.8	D69 W70	D69-N72 PolarHBondContact O-N 3.46Å; W70-N72 PolarHBondContact O-N 3.49Å
73	V	88.9	Confident	85.6	Confident	38 Å²	38	81.4 Å²	81.4	23%	0.23	43%	0.427	C	S	.	.	H	α-helix	trans	-73	-41.1	179.5	175.8	0	0	0	0	111.8	I68 W70 P75 L84	I68-V73 HydrophobicContact CG2-CB 4.41Å; I68-V73 HydrophobicContact CG2-CG2 3.03Å; W70-V73 HydrophobicContact CE3-CB 4.31Å; W70-V73 HydrophobicContact CE3-CG1 4.43Å; W70-V73 HydrophobicContact CZ3-CG1 4.12Å; W70-V73 PolarHBondContact O-N 3.44Å; V73-P75 VanDerWaalsContact C-CD 3.43Å; V73-P75 WeakPolarHBondContact O-CD 3.22Å; V73-L84 HydrophobicContact CG1-CB 4.19Å; V73-L84 HydrophobicContact CG1-CD2 4.39Å
74	W	91.7	Very high	86	Confident	7 Å²	7	78.3 Å²	78.3	3%	0.027	42%	0.416	C	S	.	.	S	Bend	trans	-128.1	63.2	-171	-148.2	-72.2	0	0	0	111.5	W70 A76 A78 T79 H81 L84 V85 L120 H121 H126	W70-W74 HydrophobicContact CH2-CE3 4.38Å; W70-W74 HydrophobicContact CZ2-CB 4.12Å; W70-W74 HydrophobicContact CZ2-CG 4.49Å; W70-W74 PolarHBondContact O-N 2.86Å; W74-A76 VanDerWaalsContact C-N 3.33Å; W74-A76 PolarHBondContact NE1-O 3.18Å; W74-A76 PolarHBondContact O-N 3.03Å; W74-A78 HydrophobicContact CZ2-CB 3.78Å; W74-T79 VanDerWaalsContact CH2-O 3.23Å; W74-T79 WeakPolarHBondContact CH2-O 3.38Å; W74-T79 VanDerWaalsContact CZ2-O 3.26Å; W74-T79 WeakPolarHBondContact CZ2-O 3.42Å; W74-H81 HydrophobicContact CH2-CB 3.96Å; W74-H81 HydrophobicContact CZ3-CB 4.21Å; W74-L84 HydrophobicContact CE3-CB 4.3Å; W74-L84 HydrophobicContact CE3-CD1 4.4Å; W74-L84 HydrophobicContact CZ3-CB 3.91Å; W74-L84 HydrophobicContact CZ3-CD1 4.04Å; W74-V85 HydrophobicContact CE3-CG2 4.32Å; W74-V85 HydrophobicContact CH2-CG2 4.4Å; W74-V85 HydrophobicContact CZ3-CG2 3.76Å; W74-L120 HydrophobicContact CD2-CB 3.94Å; W74-L120 HydrophobicContact CD2-CD1 4.08Å; W74-L120 HydrophobicContact CE3-CD1 4.17Å; W74-L120 HydrophobicContact CG-CB 3.76Å; W74-L120 HydrophobicContact CH2-CD1 4.28Å; W74-L120 HydrophobicContact CZ2-CD1 4.16Å; W74-L120 HydrophobicContact CZ3-CD1 4.27Å; W74-H121 VanDerWaalsContact O-CA 3.25Å; W74-H121 WeakPolarHBondContact O-CA 3.25Å; W74-H121 VanDerWaalsContact O-CB 3.28Å; W74-H121 WeakPolarHBondContact O-CB 3.44Å; W74-H126 PolarHBondContact O-NE2 3.32Å; W74-H126 VanDerWaalsContact O-NE2 3.14Å
75	P	93.2	Very high	86.8	Confident	86 Å²	86	72.2 Å²	72.2	56%	0.558	39%	0.389	S	S	*	.			trans	-70.2	-24.8	-168.9	27.9	-36.4	0	0	0	114.3	V73	V73-P75 VanDerWaalsContact C-CD 3.43Å; V73-P75 WeakPolarHBondContact O-CD 3.22Å
76	A	94.5	Very high	87.7	Confident	58 Å²	58	65 Å²	65	48%	0.479	37%	0.369	S	S	.	.	S	Bend	trans	-142.7	171.4	-173.1	0	0	0	0	0	112.1	W74 A78 H121	W74-A76 VanDerWaalsContact C-N 3.33Å; W74-A76 PolarHBondContact NE1-O 3.18Å; W74-A76 PolarHBondContact O-N 3.03Å; A76-A78 PolarHBondContact O-N 3.26Å; A76-H121 VanDerWaalsContact C-CG 3.49Å; A76-H121 WeakPolarHBondContact O-CB 3.46Å
77	A	95.2	Very high	88.6	Confident	78 Å²	78	63.4 Å²	63.4	65%	0.645	36%	0.355	S	S	*	.			trans	-58.7	121.5	174.7	0	0	0	0	0	110.4	H121	A77-H121 PolarHBondContact N-CD2 2.79Å
78	A	93.7	Very high	89.7	Confident	53 Å²	53	65.5 Å²	65.5	44%	0.438	36%	0.357	S	S	.	.			trans	-147.4	156.2	-178.3	0	0	0	0	0	110.2	W74 A76 N118	W74-A78 HydrophobicContact CZ2-CB 3.78Å; A76-A78 PolarHBondContact O-N 3.26Å; A78-N118 PolarHBondContact O-ND2 3.42Å
79	T	93.6	Very high	90.5	Very high	96 Å²	96	64.9 Å²	64.9	59%	0.589	36%	0.356	S	S	*	.			trans	-66	149.7	174.1	51.2	0	0	0	0	110.5	W74 H81	W74-T79 VanDerWaalsContact CH2-O 3.23Å; W74-T79 WeakPolarHBondContact CH2-O 3.38Å; W74-T79 VanDerWaalsContact CZ2-O 3.26Å; W74-T79 WeakPolarHBondContact CZ2-O 3.42Å; T79-H81 PolarHBondContact O-N 3.01Å
80	F	94	Very high	90.9	Very high	21 Å²	21	66.8 Å²	66.8	9%	0.092	36%	0.359	C	S	.	.			trans	-60.5	124.7	-179.2	177.6	-94.4	0	0	0	110.9	H82 V85 K107 L113	F80-H82 HydrophobicContact CE1-CB 4.25Å; F80-V85 HydrophobicContact CD2-CG2 4.13Å; F80-V85 HydrophobicContact CE2-CB 4.09Å; F80-V85 HydrophobicContact CE2-CG1 4.14Å; F80-V85 HydrophobicContact CE2-CG2 3.73Å; F80-V85 HydrophobicContact CZ-CB 4.41Å; F80-V85 HydrophobicContact CZ-CG2 4.38Å; F80-K107 HydrophobicContact CE1-CB 3.83Å; F80-K107 HydrophobicContact CZ-CB 3.78Å; F80-K107 HydrophobicContact CZ-CD 4.43Å; F80-L113 WeakPolarHBondContact CB-O 3.4Å; F80-L113 HydrophobicContact CD1-CB 3.67Å; F80-L113 HydrophobicContact CD1-CD1 4.4Å; F80-L113 HydrophobicContact CE1-CB 3.97Å; F80-L113 HydrophobicContact CE1-CD1 3.82Å; F80-L113 HydrophobicContact CE1-CG 4.47Å; F80-L113 HydrophobicContact CG-CB 4.07Å; F80-L113 HydrophobicContact CZ-CD1 4.02Å
81	H	91.5	Very high	91.1	Very high	83 Å²	83	68 Å²	68	38%	0.384	37%	0.366	S	S	.	.			trans	-121.9	106	-176.6	-160.8	-80.7	0	0	0	109.8	W74 T79 S83 L84 V85	W74-H81 HydrophobicContact CH2-CB 3.96Å; W74-H81 HydrophobicContact CZ3-CB 4.21Å; T79-H81 PolarHBondContact O-N 3.01Å; H81-S83 PolarHBondContact CE1-OG 3.47Å; H81-S83 PolarHBondContact ND1-N 3.47Å; H81-S83 PolarHBondContact ND1-OG 3.49Å; H81-S83 PolarHBondContact O-N 2.84Å; H81-L84 HydrophobicContact CB-CD1 4.2Å; H81-L84 HydrophobicContact CB-CG 4.49Å; H81-L84 PolarHBondContact O-N 3.44Å; H81-L84 VanDerWaalsContact O-N 3.11Å; H81-V85 PolarHBondContact O-N 3.37Å
82	H	90.7	Very high	91.2	Very high	51 Å²	51	68.8 Å²	68.8	24%	0.236	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-26.8	-173.3	72.7	86.6	0	0	0	113.6	F80 K107 Y108	F80-H82 HydrophobicContact CE1-CB 4.25Å; H82-K107 HydrophobicContact CB-CB 4.31Å; H82-K107 HydrophobicContact CB-CD 4.38Å; H82-K107 HydrophobicContact CB-CG 4.12Å; H82-K107 WeakPolarHBondContact CB-O 3.37Å; H82-Y108 AromaticContact CE1-CD2 3.46Å; H82-Y108 VanDerWaalsContact CE1-CD2 3.46Å; H82-Y108 WeakPolarHBondContact CE1-CD2 3.43Å; H82-Y108 AromaticContact CE1-CE2 3.74Å; H82-Y108 AromaticContact ND1-CD2 3.7Å; H82-Y108 AromaticContact NE2-CD2 3.86Å; H82-Y108 AromaticContact NE2-CE2 3.98Å
83	S	89	Confident	91.2	Very high	15 Å²	15	70 Å²	70	11%	0.105	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-24.2	-177.4	85.2	0	0	0	0	113.9	I59 L60 H61 H81	I59-S83 VanDerWaalsContact CG2-O 3.28Å; I59-S83 WeakPolarHBondContact CG2-O 3.2Å; L60-S83 PolarHBondContact N-O 2.74Å; H61-S83 PolarHBondContact N-O 2.95Å; H61-S83 PolarHBondContact ND1-O 3.31Å; H81-S83 PolarHBondContact CE1-OG 3.47Å; H81-S83 PolarHBondContact ND1-N 3.47Å; H81-S83 PolarHBondContact ND1-OG 3.49Å; H81-S83 PolarHBondContact O-N 2.84Å
84	L	88	Confident	91	Very high	53 Å²	53	69.6 Å²	69.6	28%	0.277	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-32.8	-177.5	-70.3	175.2	0	0	0	112.2	L60 V73 W74 H81 P86	L60-L84 HydrophobicContact CB-CD2 4.15Å; L60-L84 HydrophobicContact CD1-CD2 3.49Å; L60-L84 VanDerWaalsContact CD1-CD2 3.49Å; L60-L84 HydrophobicContact CD1-CG 4.37Å; L60-L84 HydrophobicContact CG-CD2 4.47Å; V73-L84 HydrophobicContact CG1-CB 4.19Å; V73-L84 HydrophobicContact CG1-CD2 4.39Å; W74-L84 HydrophobicContact CE3-CB 4.3Å; W74-L84 HydrophobicContact CE3-CD1 4.4Å; W74-L84 HydrophobicContact CZ3-CB 3.91Å; W74-L84 HydrophobicContact CZ3-CD1 4.04Å; H81-L84 HydrophobicContact CB-CD1 4.2Å; H81-L84 HydrophobicContact CB-CG 4.49Å; H81-L84 PolarHBondContact O-N 3.44Å; H81-L84 VanDerWaalsContact O-N 3.11Å; L84-P86 WeakPolarHBondContact O-CD 3.24Å
85	V	89.4	Confident	90.3	Very high	3 Å²	3	76.5 Å²	76.5	2%	0.018	41%	0.406	C	S	.	.			trans	-80	117.6	-175	-179.1	0	0	0	0	110.2	H61 W70 W74 F80 H81 F87 K107 L120	H61-V85 PolarHBondContact CE1-O 3.46Å; H61-V85 PolarHBondContact ND1-O 2.86Å; W70-V85 HydrophobicContact CH2-CG2 4.41Å; W74-V85 HydrophobicContact CE3-CG2 4.32Å; W74-V85 HydrophobicContact CH2-CG2 4.4Å; W74-V85 HydrophobicContact CZ3-CG2 3.76Å; F80-V85 HydrophobicContact CD2-CG2 4.13Å; F80-V85 HydrophobicContact CE2-CB 4.09Å; F80-V85 HydrophobicContact CE2-CG1 4.14Å; F80-V85 HydrophobicContact CE2-CG2 3.73Å; F80-V85 HydrophobicContact CZ-CB 4.41Å; F80-V85 HydrophobicContact CZ-CG2 4.38Å; H81-V85 PolarHBondContact O-N 3.37Å; V85-F87 VanDerWaalsContact C-N 3.32Å; V85-F87 HydrophobicContact CG1-CB 4.41Å; V85-F87 HydrophobicContact CG1-CD2 3.83Å; V85-F87 PolarHBondContact O-N 2.87Å; V85-K107 PolarHBondContact O-NZ 3.33Å; V85-L120 HydrophobicContact CG2-CD1 3.81Å
86	P	87.1	Confident	89.5	Confident	55 Å²	55	77.2 Å²	77.2	36%	0.357	41%	0.405	S	S	.	.			trans	-76.5	-16.5	-175.5	29.5	-34.7	0	0	0	114.1	H61 W70 L84	H61-P86 HydrophobicContact CB-CB 4.01Å; W70-P86 HydrophobicContact CZ3-CG 4.27Å; L84-P86 WeakPolarHBondContact O-CD 3.24Å
87	F	87.1	Confident	88.6	Confident	121 Å²	121	81.6 Å²	81.6	53%	0.531	42%	0.42	S	S	.	.	S	Bend	trans	-81.3	149.4	-174.9	-43.6	-65.4	0	0	0	111.9	W70 V85 V89 K107	W70-F87 HydrophobicContact CH2-CE2 4.42Å; W70-F87 HydrophobicContact CZ3-CE2 4.48Å; V85-F87 VanDerWaalsContact C-N 3.32Å; V85-F87 HydrophobicContact CG1-CB 4.41Å; V85-F87 HydrophobicContact CG1-CD2 3.83Å; V85-F87 PolarHBondContact O-N 2.87Å; F87-V89 HydrophobicContact CB-CG2 4.26Å; F87-V89 PolarHBondContact O-N 2.96Å; F87-K107 PolarHBondContact O-NZ 3.44Å
88	R	90.1	Very high	87.7	Confident	247 Å²	247	82.6 Å²	82.6	93%	0.932	42%	0.422	S	S	*	.			trans	-87	83.6	176.5	-67.3	-178.7	178.4	174.9	-2.1	109.6
89	V	92.5	Very high	86.8	Confident	55 Å²	55	84.4 Å²	84.4	33%	0.333	42%	0.421	S	S	.	.			trans	-95	137.3	177.6	-176.1	0	0	0	0	109.7	F87 K107 L113	F87-V89 HydrophobicContact CB-CG2 4.26Å; F87-V89 PolarHBondContact O-N 2.96Å; V89-K107 PolarHBondContact O-N 3.09Å; V89-L113 HydrophobicContact CG1-CD1 4.16Å; V89-L113 HydrophobicContact CG1-CD2 3.69Å
90	R	92.8	Very high	85.9	Confident	106 Å²	106	84.6 Å²	84.6	40%	0.4	42%	0.419	S	S	.	.	B	Isolated β-bridge	trans	-128.3	142.6	173.7	-60.7	178	171	-90.6	-5.2	108.6	P104 P105 E106	R90-P104 HydrophobicContact CB-CB 3.99Å; R90-P104 WeakPolarHBondContact CD-O 3.45Å; R90-P104 PolarHBondContact NH1-O 2.66Å; R90-P105 VanDerWaalsContact CA-O 3.27Å; R90-P105 WeakPolarHBondContact CA-O 3.43Å; R90-P105 WeakPolarHBondContact CB-O 3.42Å; R90-E106 VanDerWaalsContact CZ-CG 3.4Å; R90-E106 IonicContact CZ-OE1 3.51Å; R90-E106 IonicContact NH1-OE1 3.72Å; R90-E106 IonicContact NH2-OE1 2.68Å; R90-E106 PolarHBondContact NH2-OE1 3.27Å
91	Q	92.8	Very high	85.3	Confident	62 Å²	62	91.5 Å²	91.5	29%	0.29	45%	0.451	S	S	.	.			trans	-156.1	137.6	177.2	-178.4	177.7	-10.6	0	0	110.5	P105 N110 E112 L113	Q91-P105 PolarHBondContact N-O 3.48Å; Q91-P105 VanDerWaalsContact N-O 3.12Å; Q91-P105 WeakPolarHBondContact O-CD 3.29Å; Q91-P105 VanDerWaalsContact O-CG 3.27Å; Q91-P105 WeakPolarHBondContact O-CG 3.37Å; Q91-N110 PolarHBondContact O-ND2 2.72Å; Q91-E112 HydrophobicContact CG-CB 4.14Å; Q91-L113 HydrophobicContact CB-CD2 3.97Å; Q91-L113 HydrophobicContact CB-CG 4Å
92	G	91.3	Very high	84.8	Confident	29 Å²	29	89 Å²	89	30%	0.299	45%	0.448	S	S	.	.			trans	143.1	156.9	177.7	0	0	0	0	0	110.1
93	H	88.1	Confident	84.6	Confident	153 Å²	153	90.4 Å²	90.4	71%	0.708	46%	0.457	S	S	*	.			trans	-83.3	136.1	176.2	179.9	68.4	0	0	0	110.2
94	C	85.8	Confident	84.6	Confident	29 Å²	29	92 Å²	92	20%	0.196	47%	0.467	C	S	.	.			trans	-110.7	120.1	170.5	-59.4	0	0	0	0	107.9	L103 P104	C94-L103 PolarHBondContact SG-O 2.67Å; C94-P104 WeakPolarHBondContact SG-CA 3.35Å
95	K	75.7	Confident	84.7	Confident	153 Å²	153	91.4 Å²	91.4	67%	0.665	47%	0.466	S	S	*	.			trans	-75.8	-40.2	-177.5	-73	-179.3	177	178.7	0	111.9
96	N	76.3	Confident	84.8	Confident	100 Å²	100	96.6 Å²	96.6	54%	0.535	49%	0.491	S	S	.	.	S	Bend	trans	-137.8	157.1	-173.4	-64.9	-30.2	0	0	0	110.2	S98 E99	N96-S98 VanDerWaalsContact CB-OG 3.31Å; N96-S98 WeakPolarHBondContact CB-OG 3.42Å; N96-S98 PolarHBondContact O-N 3.48Å; N96-S98 VanDerWaalsContact O-N 3.12Å; N96-E99 PolarHBondContact O-N 2.98Å; N96-E99 VanDerWaalsContact O-N 3.1Å
97	L	77	Confident	85.1	Confident	150 Å²	150	95.3 Å²	95.3	79%	0.785	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-20.2	168.9	-78	141.6	0	0	0	113	E99 E101 G102	L97-E99 VanDerWaalsContact C-N 3.33Å; L97-E101 CarbonylContact O-C 3.47Å; L97-E101 WeakPolarHBondContact O-CA 3.22Å; L97-G102 PolarHBondContact O-N 3.15Å
98	S	75.9	Confident	85.2	Confident	99 Å²	99	96.6 Å²	96.6	69%	0.692	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-25.5	176.7	61.3	0	0	0	0	113.7	N96	N96-S98 VanDerWaalsContact CB-OG 3.31Å; N96-S98 WeakPolarHBondContact CB-OG 3.42Å; N96-S98 PolarHBondContact O-N 3.48Å; N96-S98 VanDerWaalsContact O-N 3.12Å
99	E	73.3	Confident	85.2	Confident	91 Å²	91	88.3 Å²	88.3	43%	0.425	47%	0.466	S	S	.	.	S	Bend	trans	-94	117.9	179.1	-68.1	177.4	171.8	0	0	109.1	N96 L97 E101 G102	N96-E99 PolarHBondContact O-N 2.98Å; N96-E99 VanDerWaalsContact O-N 3.1Å; L97-E99 VanDerWaalsContact C-N 3.33Å; E99-E101 PolarHBondContact O-N 3.24Å; E99-G102 PolarHBondContact O-N 2.71Å
100	N	74.7	Confident	85.2	Confident	100 Å²	100	86.3 Å²	86.3	54%	0.535	45%	0.453	S	S	.	.	G	3₁₀ helix	trans	51.9	35.2	179.5	-61	-31.6	0	0	0	114.5	G102 L103	N100-G102 PolarHBondContact O-N 3.04Å; N100-G102 VanDerWaalsContact O-N 3.11Å; N100-L103 VanDerWaalsContact CB-O 3.23Å; N100-L103 WeakPolarHBondContact CB-O 3.48Å; N100-L103 WeakPolarHBondContact O-CB 3.2Å; N100-L103 PolarHBondContact O-N 3.23Å
101	E	81.6	Confident	85.2	Confident	166 Å²	166	85.2 Å²	85.2	78%	0.776	46%	0.459	S	S	*	.	G	3₁₀ helix	trans	58.5	23.7	-178	-54	175.9	171.5	0	0	113.3	L97 E99 L103	L97-E101 CarbonylContact O-C 3.47Å; L97-E101 WeakPolarHBondContact O-CA 3.22Å; E99-E101 PolarHBondContact O-N 3.24Å; E101-L103 PolarHBondContact O-N 3.02Å
102	G	81.3	Confident	85.3	Confident	30 Å²	30	85.7 Å²	85.7	31%	0.309	46%	0.461	S	S	.	.	G	3₁₀ helix	trans	76.7	2.2	-174	0	0	0	0	0	114.6	L97 E99 N100	L97-G102 PolarHBondContact O-N 3.15Å; E99-G102 PolarHBondContact O-N 2.71Å; N100-G102 PolarHBondContact O-N 3.04Å; N100-G102 VanDerWaalsContact O-N 3.11Å
103	L	86.4	Confident	85.4	Confident	81 Å²	81	84.9 Å²	84.9	42%	0.424	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-90.3	137.8	177	-64.6	174.4	0	0	0	111.1	C94 N100 E101	C94-L103 PolarHBondContact SG-O 2.67Å; N100-L103 VanDerWaalsContact CB-O 3.23Å; N100-L103 WeakPolarHBondContact CB-O 3.48Å; N100-L103 WeakPolarHBondContact O-CB 3.2Å; N100-L103 PolarHBondContact O-N 3.23Å; E101-L103 PolarHBondContact O-N 3.02Å
104	P	90.2	Very high	85.7	Confident	48 Å²	48	82.3 Å²	82.3	31%	0.312	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-55.1	146.7	172	-25.9	34.8	0	0	0	111.7	R90 C94	R90-P104 HydrophobicContact CB-CB 3.99Å; R90-P104 WeakPolarHBondContact CD-O 3.45Å; R90-P104 PolarHBondContact NH1-O 2.66Å; C94-P104 WeakPolarHBondContact SG-CA 3.35Å
105	P	90.2	Very high	86.1	Confident	42 Å²	42	87.7 Å²	87.7	27%	0.273	46%	0.459	S	S	.	.	P	Polyproline II helix	trans	-61	145.1	-177.5	19.9	-25.7	0	0	0	111.1	R90 Q91 N110	R90-P105 VanDerWaalsContact CA-O 3.27Å; R90-P105 WeakPolarHBondContact CA-O 3.43Å; R90-P105 WeakPolarHBondContact CB-O 3.42Å; Q91-P105 PolarHBondContact N-O 3.48Å; Q91-P105 VanDerWaalsContact N-O 3.12Å; Q91-P105 WeakPolarHBondContact O-CD 3.29Å; Q91-P105 VanDerWaalsContact O-CG 3.27Å; Q91-P105 WeakPolarHBondContact O-CG 3.37Å; P105-N110 PolarHBondContact O-ND2 3.45Å
106	E	91.3	Very high	87	Confident	112 Å²	112	84 Å²	84	52%	0.523	45%	0.446	S	S	.	.	B	Isolated β-bridge	trans	-65	175.1	-179.1	-67.8	-169.7	176.8	0	0	113	R90 Y108 N110	R90-E106 VanDerWaalsContact CZ-CG 3.4Å; R90-E106 IonicContact CZ-OE1 3.51Å; R90-E106 IonicContact NH1-OE1 3.72Å; R90-E106 IonicContact NH2-OE1 2.68Å; R90-E106 PolarHBondContact NH2-OE1 3.27Å; E106-Y108 VanDerWaalsContact C-N 3.27Å; E106-Y108 PolarHBondContact O-N 3.36Å; E106-N110 WeakPolarHBondContact O-CB 3.36Å; E106-N110 PolarHBondContact O-ND2 3.08Å
107	K	92.7	Very high	87.9	Confident	28 Å²	28	84.3 Å²	84.3	12%	0.122	45%	0.454	C	S	.	.	S	Bend	trans	-67.3	-22	176.9	62	177.7	179.7	-169.1	0	114.7	H61 F80 H82 V85 F87 V89 A109 L113	H61-K107 PolarHBondContact CE1-NZ 3.06Å; H61-K107 PolarHBondContact NE2-NZ 3.24Å; F80-K107 HydrophobicContact CE1-CB 3.83Å; F80-K107 HydrophobicContact CZ-CB 3.78Å; F80-K107 HydrophobicContact CZ-CD 4.43Å; H82-K107 HydrophobicContact CB-CB 4.31Å; H82-K107 HydrophobicContact CB-CD 4.38Å; H82-K107 HydrophobicContact CB-CG 4.12Å; H82-K107 WeakPolarHBondContact CB-O 3.37Å; V85-K107 PolarHBondContact O-NZ 3.33Å; F87-K107 PolarHBondContact O-NZ 3.44Å; V89-K107 PolarHBondContact O-N 3.09Å; K107-A109 PolarHBondContact O-N 3.28Å; K107-L113 HydrophobicContact CB-CD1 4Å
108	Y	90.2	Very high	88.7	Confident	148 Å²	148	78.2 Å²	78.2	58%	0.58	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	123.4	-178.2	-180	-98.9	0	0	0	110.5	H82 E106 N110	H82-Y108 AromaticContact CE1-CD2 3.46Å; H82-Y108 VanDerWaalsContact CE1-CD2 3.46Å; H82-Y108 WeakPolarHBondContact CE1-CD2 3.43Å; H82-Y108 AromaticContact CE1-CE2 3.74Å; H82-Y108 AromaticContact ND1-CD2 3.7Å; H82-Y108 AromaticContact NE2-CD2 3.86Å; H82-Y108 AromaticContact NE2-CE2 3.98Å; E106-Y108 VanDerWaalsContact C-N 3.27Å; E106-Y108 PolarHBondContact O-N 3.36Å; Y108-N110 PolarHBondContact O-N 3.35Å; Y108-N110 VanDerWaalsContact O-N 3.08Å
109	A	88.3	Confident	89.7	Confident	73 Å²	73	80.5 Å²	80.5	60%	0.603	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	25.7	-179.9	0	0	0	0	0	115.4	K107 T111	K107-A109 PolarHBondContact O-N 3.28Å; A109-T111 PolarHBondContact O-N 3.48Å
110	N	93.2	Very high	90.7	Very high	13 Å²	13	78 Å²	78	7%	0.07	41%	0.409	C	S	.	.			trans	-85.6	109.3	-177.7	-172.4	-24.8	0	0	0	111.9	Q91 P105 E106 Y108 E112 L113 M114	Q91-N110 PolarHBondContact O-ND2 2.72Å; P105-N110 PolarHBondContact O-ND2 3.45Å; E106-N110 WeakPolarHBondContact O-CB 3.36Å; E106-N110 PolarHBondContact O-ND2 3.08Å; Y108-N110 PolarHBondContact O-N 3.35Å; Y108-N110 VanDerWaalsContact O-N 3.08Å; N110-E112 VanDerWaalsContact C-N 3.31Å; N110-E112 PolarHBondContact O-N 3.33Å; N110-E112 WeakPolarHBondContact OD1-CB 3.32Å; N110-E112 PolarHBondContact OD1-N 3.33Å; N110-L113 HydrophobicContact CB-CB 4.48Å; N110-L113 HydrophobicContact CB-CD1 4.07Å; N110-L113 HydrophobicContact CB-CG 4.47Å; N110-L113 PolarHBondContact O-N 3.42Å; N110-M114 PolarHBondContact O-N 3.15Å
111	T	93.7	Very high	91.7	Very high	83 Å²	83	74.8 Å²	74.8	51%	0.509	39%	0.391	S	S	.	.	H	α-helix	trans	-67.5	-28.8	-177.6	53.8	0	0	0	0	113.2	A109 L113 M114 K115	A109-T111 PolarHBondContact O-N 3.48Å; T111-L113 VanDerWaalsContact C-N 3.35Å; T111-M114 PolarHBondContact O-N 2.71Å; T111-K115 WeakPolarHBondContact O-CG 3.08Å; T111-K115 PolarHBondContact O-N 3.14Å
112	E	94	Very high	92.4	Very high	71 Å²	71	70.3 Å²	70.3	33%	0.332	37%	0.371	S	S	.	.	H	α-helix	trans	-66.6	-39.8	178.8	-64	-51.9	124.3	0	0	111.1	Q91 N110 M114 K115	Q91-E112 HydrophobicContact CG-CB 4.14Å; N110-E112 VanDerWaalsContact C-N 3.31Å; N110-E112 PolarHBondContact O-N 3.33Å; N110-E112 WeakPolarHBondContact OD1-CB 3.32Å; N110-E112 PolarHBondContact OD1-N 3.33Å; E112-M114 VanDerWaalsContact C-N 3.31Å; E112-M114 PolarHBondContact O-N 3.15Å; E112-K115 PolarHBondContact O-N 3.24Å; E112-K115 IonicContact OE1-NZ 2.72Å; E112-K115 PolarHBondContact OE1-NZ 3.47Å; E112-K115 IonicContact OE2-NZ 3Å
113	L	94.4	Very high	93	Very high	13 Å²	13	70.3 Å²	70.3	7%	0.068	37%	0.366	C	S	.	.	H	α-helix	trans	-67.9	-30.2	174.7	-72	169.3	0	0	0	112.7	F80 V89 Q91 K107 N110 T111	F80-L113 WeakPolarHBondContact CB-O 3.4Å; F80-L113 HydrophobicContact CD1-CB 3.67Å; F80-L113 HydrophobicContact CD1-CD1 4.4Å; F80-L113 HydrophobicContact CE1-CB 3.97Å; F80-L113 HydrophobicContact CE1-CD1 3.82Å; F80-L113 HydrophobicContact CE1-CG 4.47Å; F80-L113 HydrophobicContact CG-CB 4.07Å; F80-L113 HydrophobicContact CZ-CD1 4.02Å; V89-L113 HydrophobicContact CG1-CD1 4.16Å; V89-L113 HydrophobicContact CG1-CD2 3.69Å; Q91-L113 HydrophobicContact CB-CD2 3.97Å; Q91-L113 HydrophobicContact CB-CG 4Å; K107-L113 HydrophobicContact CB-CD1 4Å; N110-L113 HydrophobicContact CB-CB 4.48Å; N110-L113 HydrophobicContact CB-CD1 4.07Å; N110-L113 HydrophobicContact CB-CG 4.47Å; N110-L113 PolarHBondContact O-N 3.42Å; T111-L113 VanDerWaalsContact C-N 3.35Å
114	M	93.8	Very high	93.5	Very high	99 Å²	99	71.1 Å²	71.1	49%	0.488	38%	0.376	S	S	.	.	H	α-helix	trans	-71.7	-28.6	177.9	-67.2	-179.7	69.8	0	0	113.4	N110 T111 E112	N110-M114 PolarHBondContact O-N 3.15Å; T111-M114 PolarHBondContact O-N 2.71Å; E112-M114 VanDerWaalsContact C-N 3.31Å; E112-M114 PolarHBondContact O-N 3.15Å
115	K	94.4	Very high	93.7	Very high	141 Å²	141	71.5 Å²	71.5	61%	0.613	38%	0.38	S	S	*	.	H	α-helix	trans	-73.5	-26.7	-179.8	-69.7	167.5	-173.8	173.4	0	113	T111 E112	T111-K115 WeakPolarHBondContact O-CG 3.08Å; T111-K115 PolarHBondContact O-N 3.14Å; E112-K115 PolarHBondContact O-N 3.24Å; E112-K115 IonicContact OE1-NZ 2.72Å; E112-K115 PolarHBondContact OE1-NZ 3.47Å; E112-K115 IonicContact OE2-NZ 3Å
116	I	94.9	Very high	94	Very high	75 Å²	75	69.6 Å²	69.6	39%	0.385	37%	0.367	S	S	.	.	S	Bend	trans	-72.6	127.3	-175.3	-65.4	173.5	0	0	0	110	N118	I116-N118 VanDerWaalsContact C-N 3.31Å; I116-N118 PolarHBondContact O-N 3.39Å
117	P	94.9	Very high	94.2	Very high	108 Å²	108	68.1 Å²	68.1	70%	0.701	36%	0.362	S	S	*	.			trans	-69.7	91.7	167.4	29.8	-32.8	0	0	0	108.8	F119	P117-F119 WeakPolarHBondContact O-CD2 3.22Å; P117-F119 WeakPolarHBondContact O-CE2 3.37Å
118	N	94.3	Very high	94.4	Very high	22 Å²	22	73.8 Å²	73.8	12%	0.118	39%	0.386	C	S	.	.			trans	-72	152.3	-175.5	67.4	65.1	0	0	0	112	A78 I116 L120 H121	A78-N118 PolarHBondContact O-ND2 3.42Å; I116-N118 VanDerWaalsContact C-N 3.31Å; I116-N118 PolarHBondContact O-N 3.39Å; N118-L120 HydrophobicContact CB-CD1 4.49Å; N118-L120 HydrophobicContact CB-CG 4.12Å; N118-H121 PolarHBondContact O-CE1 3.34Å; N118-H121 VanDerWaalsContact O-CE1 3.31Å
119	F	96	Very high	94.7	Very high	147 Å²	147	71.3 Å²	71.3	65%	0.645	38%	0.379	S	S	*	.			trans	-105.5	25.7	179.3	-73.8	-102.1	0	0	0	111.9	P117 H121 L122	P117-F119 WeakPolarHBondContact O-CD2 3.22Å; P117-F119 WeakPolarHBondContact O-CE2 3.37Å; F119-H121 VanDerWaalsContact C-N 3.25Å; F119-H121 PolarHBondContact O-N 3.26Å; F119-L122 HydrophobicContact CD1-CB 4.36Å; F119-L122 HydrophobicContact CD1-CD1 3.76Å; F119-L122 HydrophobicContact CE1-CD1 4.18Å; F119-L122 CarbonylContact O-C 3.53Å; F119-L122 PolarHBondContact O-N 3.33Å
120	L	94	Very high	95.1	Very high	39 Å²	39	71.8 Å²	71.8	20%	0.204	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-64.1	-28.1	-174.9	-70.5	-174.9	0	0	0	113.4	W70 W74 V85 N118 L122	W70-L120 HydrophobicContact CH2-CD1 4.38Å; W70-L120 HydrophobicContact CZ2-CB 3.84Å; W70-L120 HydrophobicContact CZ2-CD1 4.15Å; W70-L120 HydrophobicContact CZ2-CD2 3.87Å; W70-L120 HydrophobicContact CZ2-CG 4.12Å; W70-L120 PolarHBondContact NE1-O 3.32Å; W74-L120 HydrophobicContact CD2-CB 3.94Å; W74-L120 HydrophobicContact CD2-CD1 4.08Å; W74-L120 HydrophobicContact CE3-CD1 4.17Å; W74-L120 HydrophobicContact CG-CB 3.76Å; W74-L120 HydrophobicContact CH2-CD1 4.28Å; W74-L120 HydrophobicContact CZ2-CD1 4.16Å; W74-L120 HydrophobicContact CZ3-CD1 4.27Å; V85-L120 HydrophobicContact CG2-CD1 3.81Å; N118-L120 HydrophobicContact CB-CD1 4.49Å; N118-L120 HydrophobicContact CB-CG 4.12Å; L120-L122 VanDerWaalsContact C-N 3.32Å
121	H	95.2	Very high	95.3	Very high	32 Å²	32	74.1 Å²	74.1	15%	0.148	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-82	-5.9	172.7	53.8	-65.4	0	0	0	113.8	W74 A76 A77 N118 F119 H126	W74-H121 VanDerWaalsContact O-CA 3.25Å; W74-H121 WeakPolarHBondContact O-CA 3.25Å; W74-H121 VanDerWaalsContact O-CB 3.28Å; W74-H121 WeakPolarHBondContact O-CB 3.44Å; A76-H121 VanDerWaalsContact C-CG 3.49Å; A76-H121 WeakPolarHBondContact O-CB 3.46Å; A77-H121 PolarHBondContact N-CD2 2.79Å; N118-H121 PolarHBondContact O-CE1 3.34Å; N118-H121 VanDerWaalsContact O-CE1 3.31Å; F119-H121 VanDerWaalsContact C-N 3.25Å; F119-H121 PolarHBondContact O-N 3.26Å; H121-H126 WeakPolarHBondContact O-CB 3.48Å; H121-H126 PolarHBondContact O-CD2 3.23Å; H121-H126 VanDerWaalsContact O-CD2 3.3Å; H121-H126 VanDerWaalsContact O-CG 3.26Å
122	L	96.8	Very high	95.5	Very high	71 Å²	71	74.6 Å²	74.6	37%	0.372	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-118.8	36.8	-175.9	-65.3	175.3	0	0	0	111.4	F119 L120 I127	F119-L122 HydrophobicContact CD1-CB 4.36Å; F119-L122 HydrophobicContact CD1-CD1 3.76Å; F119-L122 HydrophobicContact CE1-CD1 4.18Å; F119-L122 CarbonylContact O-C 3.53Å; F119-L122 PolarHBondContact O-N 3.33Å; L120-L122 VanDerWaalsContact C-N 3.32Å; L122-I127 WeakPolarHBondContact O-CD1 3.29Å
123	T	95	Very high	95.6	Very high	31 Å²	31	74 Å²	74	19%	0.19	39%	0.391	C	S	.	.			trans	-66.9	157.3	172.4	63.2	0	0	0	0	111	S125 H126 I127	T123-S125 PolarHBondContact O-N 2.8Å; T123-S125 VanDerWaalsContact O-N 3.08Å; T123-S125 PolarHBondContact OG1-OG 2.86Å; T123-H126 WeakPolarHBondContact O-CA 3.32Å; T123-H126 WeakPolarHBondContact O-CB 3.44Å; T123-H126 PolarHBondContact O-N 3.36Å; T123-H126 PolarHBondContact OG1-N 3.28Å; T123-H126 PolarHBondContact OG1-ND1 3.11Å; T123-I127 WeakPolarHBondContact O-CG1 3.49Å; T123-I127 PolarHBondContact O-N 2.81Å
124	P	96.1	Very high	95.8	Very high	98 Å²	98	78 Å²	78	64%	0.636	41%	0.412	S	S	*	.	H	α-helix	trans	-54.2	-32.4	177.7	-28.8	36	0	0	0	114.1	K128	P124-K128 WeakPolarHBondContact O-CG 3.47Å; P124-K128 PolarHBondContact O-N 3.48Å
125	S	94.2	Very high	95.9	Very high	56 Å²	56	79.7 Å²	79.7	39%	0.392	42%	0.417	S	S	.	.	H	α-helix	trans	-66.7	-43	173.6	52.1	0	0	0	0	113	T123 K129	T123-S125 PolarHBondContact O-N 2.8Å; T123-S125 VanDerWaalsContact O-N 3.08Å; T123-S125 PolarHBondContact OG1-OG 2.86Å; S125-K129 WeakPolarHBondContact O-CG 3.35Å; S125-K129 PolarHBondContact O-N 3.34Å
126	H	95.9	Very high	96	Very high	2 Å²	2	80.8 Å²	80.8	1%	0.009	42%	0.422	C	S	.	.	H	α-helix	trans	-60.3	-49.5	172.3	-78.5	93.4	0	0	0	110.8	W70 T71 W74 H121 T123 K128 K129 H130	W70-H126 AromaticContact CD1-CE1 3.53Å; W70-H126 AromaticContact CD1-ND1 3.89Å; W70-H126 AromaticContact NE1-CE1 3.91Å; T71-H126 VanDerWaalsContact CA-CE1 3.47Å; T71-H126 WeakPolarHBondContact CA-CE1 3.39Å; T71-H126 VanDerWaalsContact CA-NE2 3.32Å; T71-H126 WeakPolarHBondContact CA-NE2 3.41Å; T71-H126 PolarHBondContact O-NE2 3.36Å; W74-H126 PolarHBondContact O-NE2 3.32Å; W74-H126 VanDerWaalsContact O-NE2 3.14Å; H121-H126 WeakPolarHBondContact O-CB 3.48Å; H121-H126 PolarHBondContact O-CD2 3.23Å; H121-H126 VanDerWaalsContact O-CD2 3.3Å; H121-H126 VanDerWaalsContact O-CG 3.26Å; T123-H126 WeakPolarHBondContact O-CA 3.32Å; T123-H126 WeakPolarHBondContact O-CB 3.44Å; T123-H126 PolarHBondContact O-N 3.36Å; T123-H126 PolarHBondContact OG1-N 3.28Å; T123-H126 PolarHBondContact OG1-ND1 3.11Å; H126-K128 VanDerWaalsContact C-N 3.32Å; H126-K128 PolarHBondContact O-N 3.42Å; H126-K129 PolarHBondContact O-N 3.11Å; H126-H130 WeakPolarHBondContact O-CB 3.28Å; H126-H130 PolarHBondContact O-CD2 2.93Å; H126-H130 PolarHBondContact O-N 2.98Å
127	I	97	Very high	96.1	Very high	80 Å²	80	84.4 Å²	84.4	41%	0.41	44%	0.435	S	S	.	.	H	α-helix	trans	-59	-45	-176.9	-63.8	169.9	0	0	0	110.5	L122 T123 H130 C131	L122-I127 WeakPolarHBondContact O-CD1 3.29Å; T123-I127 WeakPolarHBondContact O-CG1 3.49Å; T123-I127 PolarHBondContact O-N 2.81Å; I127-H130 PolarHBondContact O-N 3.5Å; I127-C131 VanDerWaalsContact O-CB 3.28Å; I127-C131 WeakPolarHBondContact O-CB 3.36Å; I127-C131 PolarHBondContact O-N 3.4Å; I127-C131 PolarHBondContact O-SG 3.36Å
128	K	96.8	Very high	96.3	Very high	147 Å²	147	83.8 Å²	83.8	64%	0.639	43%	0.432	S	S	*	.	H	α-helix	trans	-58.2	-52.7	175.8	-73.9	177.2	-178.7	-175.9	0	111.9	P124 H126 H130 C131 D132	P124-K128 WeakPolarHBondContact O-CG 3.47Å; P124-K128 PolarHBondContact O-N 3.48Å; H126-K128 VanDerWaalsContact C-N 3.32Å; H126-K128 PolarHBondContact O-N 3.42Å; K128-H130 VanDerWaalsContact C-N 3.34Å; K128-H130 PolarHBondContact O-N 3.46Å; K128-C131 PolarHBondContact O-N 3.48Å; K128-D132 WeakPolarHBondContact O-CB 3.26Å; K128-D132 PolarHBondContact O-N 2.89Å
129	K	96.1	Very high	96.4	Very high	97 Å²	97	89 Å²	89	42%	0.422	47%	0.465	S	S	.	.	H	α-helix	trans	-59.1	-43.3	178.2	-70.1	-171.5	-173.9	-176.8	0	112.2	D69 T71 S125 H126 A133	D69-K129 IonicContact OD1-NZ 2.67Å; D69-K129 IonicContact OD2-NZ 2.77Å; D69-K129 PolarHBondContact OD2-NZ 3.5Å; T71-K129 HydrophobicContact CG2-CD 4.13Å; T71-K129 PolarHBondContact OG1-NZ 2.99Å; S125-K129 WeakPolarHBondContact O-CG 3.35Å; S125-K129 PolarHBondContact O-N 3.34Å; H126-K129 PolarHBondContact O-N 3.11Å; K129-A133 WeakPolarHBondContact O-CB 3.39Å; K129-A133 PolarHBondContact O-N 3.3Å
130	H	96.8	Very high	96.3	Very high	82 Å²	82	90.2 Å²	90.2	38%	0.38	48%	0.477	S	S	.	.	H	α-helix	trans	-64.7	-50.2	178.3	-66.6	173.8	0	0	0	111.3	H126 I127 K128 D132 A133 L134	H126-H130 WeakPolarHBondContact O-CB 3.28Å; H126-H130 PolarHBondContact O-CD2 2.93Å; H126-H130 PolarHBondContact O-N 2.98Å; I127-H130 PolarHBondContact O-N 3.5Å; K128-H130 VanDerWaalsContact C-N 3.34Å; K128-H130 PolarHBondContact O-N 3.46Å; H130-D132 VanDerWaalsContact C-N 3.33Å; H130-D132 PolarHBondContact O-N 3.39Å; H130-A133 PolarHBondContact O-N 3.03Å; H130-L134 WeakPolarHBondContact O-CB 3.38Å; H130-L134 WeakPolarHBondContact O-CG 3.39Å; H130-L134 PolarHBondContact O-N 2.89Å
131	C	97.4	Very high	96.4	Very high	63 Å²	63	97 Å²	97	43%	0.426	50%	0.5	S	S	.	.	H	α-helix	trans	-61.3	-41	178.1	-71	0	0	0	0	111.7	I127 K128 A133 L134 K135	I127-C131 VanDerWaalsContact O-CB 3.28Å; I127-C131 WeakPolarHBondContact O-CB 3.36Å; I127-C131 PolarHBondContact O-N 3.4Å; I127-C131 PolarHBondContact O-SG 3.36Å; K128-C131 PolarHBondContact O-N 3.48Å; C131-A133 VanDerWaalsContact C-N 3.35Å; C131-A133 PolarHBondContact O-N 3.03Å; C131-L134 PolarHBondContact O-N 3.49Å; C131-L134 VanDerWaalsContact O-N 3.15Å; C131-K135 WeakPolarHBondContact O-CG 3.32Å; C131-K135 PolarHBondContact O-N 3.34Å
132	D	97.3	Very high	96.4	Very high	93 Å²	93	98.7 Å²	98.7	50%	0.497	51%	0.514	S	S	.	.	H	α-helix	trans	-62.2	-41.6	176.4	-71.3	-26	0	0	0	112	K128 H130 L134 K135	K128-D132 WeakPolarHBondContact O-CB 3.26Å; K128-D132 PolarHBondContact O-N 2.89Å; H130-D132 VanDerWaalsContact C-N 3.33Å; H130-D132 PolarHBondContact O-N 3.39Å; D132-L134 VanDerWaalsContact C-N 3.33Å; D132-K135 WeakPolarHBondContact OD1-CE 3.39Å; D132-K135 IonicContact OD1-NZ 3.13Å; D132-K135 PolarHBondContact OD1-NZ 2.84Å
133	A	97	Very high	96.1	Very high	57 Å²	57	100.9 Å²	100.9	47%	0.471	54%	0.535	S	S	.	.	H	α-helix	trans	-68.7	-30.7	173.7	0	0	0	0	0	113.2	K129 H130 C131 K136	K129-A133 WeakPolarHBondContact O-CB 3.39Å; K129-A133 PolarHBondContact O-N 3.3Å; H130-A133 PolarHBondContact O-N 3.03Å; C131-A133 VanDerWaalsContact C-N 3.35Å; C131-A133 PolarHBondContact O-N 3.03Å; A133-K136 WeakPolarHBondContact O-CD 3.33Å; A133-K136 WeakPolarHBondContact O-CE 3.45Å; A133-K136 WeakPolarHBondContact O-CG 3.34Å
134	L	97.4	Very high	96	Very high	97 Å²	97	101.8 Å²	101.8	51%	0.508	55%	0.551	S	S	.	*	H	α-helix	trans	-82.1	-23.5	-179	-72	172.6	0	0	0	113.6	H130 C131 D132 K136 F137	H130-L134 WeakPolarHBondContact O-CB 3.38Å; H130-L134 WeakPolarHBondContact O-CG 3.39Å; H130-L134 PolarHBondContact O-N 2.89Å; C131-L134 PolarHBondContact O-N 3.49Å; C131-L134 VanDerWaalsContact O-N 3.15Å; D132-L134 VanDerWaalsContact C-N 3.33Å; L134-K136 PolarHBondContact O-N 3.22Å; L134-F137 HydrophobicContact CD2-CD2 4.06Å; L134-F137 HydrophobicContact CD2-CE2 4.28Å; L134-F137 PolarHBondContact O-N 3.37Å
135	K	97.1	Very high	95.8	Very high	135 Å²	135	98.2 Å²	98.2	59%	0.587	53%	0.526	S	S	*	.	G	3₁₀ helix	trans	-51	-33	179.3	-84.8	170.7	-172.8	166.5	0	113.4	C131 D132 F137 C138	C131-K135 WeakPolarHBondContact O-CG 3.32Å; C131-K135 PolarHBondContact O-N 3.34Å; D132-K135 WeakPolarHBondContact OD1-CE 3.39Å; D132-K135 IonicContact OD1-NZ 3.13Å; D132-K135 PolarHBondContact OD1-NZ 2.84Å; K135-F137 PolarHBondContact O-N 2.74Å; K135-C138 PolarHBondContact O-N 2.78Å; K135-C138 VanDerWaalsContact O-N 3.14Å
136	K	96.5	Very high	95.6	Very high	165 Å²	165	100.7 Å²	100.7	72%	0.717	54%	0.544	S	S	*	.	G	3₁₀ helix	trans	-63.6	-20.1	177.6	72.4	-171.4	179.6	177	0	114.6	A133 L134	A133-K136 WeakPolarHBondContact O-CD 3.33Å; A133-K136 WeakPolarHBondContact O-CE 3.45Å; A133-K136 WeakPolarHBondContact O-CG 3.34Å; L134-K136 PolarHBondContact O-N 3.22Å
137	F	97.3	Very high	95.4	Very high	150 Å²	150	102.6 Å²	102.6	66%	0.658	56%	0.558	S	S	*	*	G	3₁₀ helix	trans	-94.8	-11.6	177.9	-57.7	-77	0	0	0	112.8	L134 K135	L134-F137 HydrophobicContact CD2-CD2 4.06Å; L134-F137 HydrophobicContact CD2-CE2 4.28Å; L134-F137 PolarHBondContact O-N 3.37Å; K135-F137 PolarHBondContact O-N 2.74Å
138	C	97.3	Very high	95.2	Very high	96 Å²	96	105.3 Å²	105.3	65%	0.649	57%	0.573	S	S	*	*			trans	-82.2	145.3	179.8	-61	0	0	0	0	110.7	K135	K135-C138 PolarHBondContact O-N 2.78Å; K135-C138 VanDerWaalsContact O-N 3.14Å
139	T	96.6	Very high	94.9	Very high	132 Å²	132	105.8 Å²	105.8	81%	0.81	58%	0.577	S	S	*	*			trans	-105.9	148.3	169.4	54.3	0	0	0	0	109.8
140	L	95.3	Very high	94.7	Very high	171 Å²	171	103 Å²	103	90%	0.895	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-66.5	140	174.9	-65.3	172.4	0	0	0	110.4
141	W	95.1	Very high	94.5	Very high	182 Å²	182	101.8 Å²	101.8	69%	0.689	56%	0.564	S	S	*	*	P	Polyproline II helix	trans	-69.5	137.7	170.5	-179.2	-99.3	0	0	0	109.9	S143 L145	W141-S143 PolarHBondContact O-N 3.45Å; W141-L145 HydrophobicContact CZ2-CB 4.06Å; W141-L145 HydrophobicContact CZ2-CD1 4.36Å; W141-L145 PolarHBondContact NE1-O 3.14Å
142	P	94.4	Very high	94.2	Very high	67 Å²	67	102.1 Å²	102.1	44%	0.435	56%	0.559	S	S	.	*	P	Polyproline II helix	trans	-61.1	121.8	178.2	24.5	-35.7	0	0	0	111.9	G144 L145	P142-G144 PolarHBondContact O-N 3.19Å; P142-L145 HydrophobicContact CB-CD1 4.44Å; P142-L145 HydrophobicContact CB-CG 4.45Å; P142-L145 HydrophobicContact CG-CB 4.28Å; P142-L145 HydrophobicContact CG-CD1 3.66Å; P142-L145 HydrophobicContact CG-CG 4.07Å; P142-L145 PolarHBondContact O-N 2.98Å; P142-L145 VanDerWaalsContact O-N 3.15Å
143	S	92.3	Very high	94	Very high	117 Å²	117	105.1 Å²	105.1	82%	0.818	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.2	-25.2	-176	53.1	0	0	0	0	114.4	W141 L145	W141-S143 PolarHBondContact O-N 3.45Å; S143-L145 VanDerWaalsContact C-N 3.27Å; S143-L145 PolarHBondContact O-N 3.28Å
144	G	91.5	Very high	93.8	Very high	51 Å²	51	109.8 Å²	109.8	53%	0.526	58%	0.575	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73	-13.1	177.4	0	0	0	0	0	115	P142 T150	P142-G144 PolarHBondContact O-N 3.19Å; G144-T150 PolarHBondContact O-OG1 3.46Å
145	L	92.3	Very high	93.7	Very high	22 Å²	22	112 Å²	112	12%	0.115	58%	0.577	C	S	.	*			trans	-105.7	56.7	-179.6	-59.7	-177.5	0	0	0	110.7	W141 P142 S143 I151 Y154 Y155	W141-L145 HydrophobicContact CZ2-CB 4.06Å; W141-L145 HydrophobicContact CZ2-CD1 4.36Å; W141-L145 PolarHBondContact NE1-O 3.14Å; P142-L145 HydrophobicContact CB-CD1 4.44Å; P142-L145 HydrophobicContact CB-CG 4.45Å; P142-L145 HydrophobicContact CG-CB 4.28Å; P142-L145 HydrophobicContact CG-CD1 3.66Å; P142-L145 HydrophobicContact CG-CG 4.07Å; P142-L145 PolarHBondContact O-N 2.98Å; P142-L145 VanDerWaalsContact O-N 3.15Å; S143-L145 VanDerWaalsContact C-N 3.27Å; S143-L145 PolarHBondContact O-N 3.28Å; L145-I151 HydrophobicContact CB-CG1 3.98Å; L145-I151 HydrophobicContact CD2-CG1 4.14Å; L145-I151 HydrophobicContact CG-CG1 4.48Å; L145-Y154 HydrophobicContact CD2-CD2 4.41Å; L145-Y155 HydrophobicContact CD1-CD2 4.19Å; L145-Y155 HydrophobicContact CD1-CE2 3.68Å; L145-Y155 HydrophobicContact CD2-CD2 4.3Å; L145-Y155 HydrophobicContact CD2-CE2 4.03Å; L145-Y155 HydrophobicContact CG-CE2 4.47Å
146	S	89.6	Confident	93.6	Very high	108 Å²	108	107.6 Å²	107.6	76%	0.755	56%	0.563	S	S	*	*			trans	-89.6	-25.7	179.3	58.5	0	0	0	0	113.2
147	S	92.8	Very high	93.5	Very high	43 Å²	43	102.8 Å²	102.8	30%	0.301	55%	0.547	S	S	.	.	S	Bend	trans	-114.6	146.9	-179.6	73.8	0	0	0	0	112.2	E149 T150 I151	S147-E149 PolarHBondContact O-N 3.17Å; S147-T150 PolarHBondContact O-N 3.48Å; S147-T150 PolarHBondContact O-OG1 2.89Å; S147-T150 VanDerWaalsContact OG-CG2 3.27Å; S147-T150 WeakPolarHBondContact OG-CG2 3.38Å; S147-T150 PolarHBondContact OG-N 2.94Å; S147-T150 PolarHBondContact OG-OG1 3.41Å; S147-I151 WeakPolarHBondContact O-CG1 3.22Å; S147-I151 PolarHBondContact O-N 2.67Å
148	N	91.7	Very high	93.5	Very high	136 Å²	136	99 Å²	99	73%	0.727	54%	0.536	S	S	*	.	H	α-helix	trans	-59.5	-34.6	177.7	-68.5	-17.6	0	0	0	112.4	I151 E152	N148-I151 WeakPolarHBondContact O-CB 3.16Å; N148-I151 PolarHBondContact O-N 2.77Å; N148-E152 PolarHBondContact O-N 3.1Å
149	E	91	Very high	93.4	Very high	158 Å²	158	98 Å²	98	74%	0.738	52%	0.523	S	S	*	.	H	α-helix	trans	-63.5	-41.7	177.5	-61.9	175.5	-175.9	0	0	112.2	S147 I151 E152 K153	S147-E149 PolarHBondContact O-N 3.17Å; E149-I151 VanDerWaalsContact C-N 3.32Å; E149-E152 PolarHBondContact O-N 3.36Å; E149-K153 WeakPolarHBondContact O-CB 3.35Å; E149-K153 PolarHBondContact O-N 3.46Å
150	T	92.2	Very high	93.5	Very high	39 Å²	39	93.7 Å²	93.7	24%	0.239	50%	0.497	C	S	.	.	H	α-helix	trans	-66.2	-37.9	175.9	57.6	0	0	0	0	111.5	G144 S147 K153 Y154	G144-T150 PolarHBondContact O-OG1 3.46Å; S147-T150 PolarHBondContact O-N 3.48Å; S147-T150 PolarHBondContact O-OG1 2.89Å; S147-T150 VanDerWaalsContact OG-CG2 3.27Å; S147-T150 WeakPolarHBondContact OG-CG2 3.38Å; S147-T150 PolarHBondContact OG-N 2.94Å; S147-T150 PolarHBondContact OG-OG1 3.41Å; T150-K153 PolarHBondContact O-N 2.96Å; T150-Y154 WeakPolarHBondContact O-CD2 3.17Å; T150-Y154 PolarHBondContact O-N 3.24Å
151	I	93.2	Very high	93.5	Very high	56 Å²	56	89.9 Å²	89.9	29%	0.287	48%	0.477	S	S	.	.	H	α-helix	trans	-63.4	-48.8	176	-64.1	167.6	0	0	0	110	L145 S147 N148 E149 K153 Y154 Y155	L145-I151 HydrophobicContact CB-CG1 3.98Å; L145-I151 HydrophobicContact CD2-CG1 4.14Å; L145-I151 HydrophobicContact CG-CG1 4.48Å; S147-I151 WeakPolarHBondContact O-CG1 3.22Å; S147-I151 PolarHBondContact O-N 2.67Å; N148-I151 WeakPolarHBondContact O-CB 3.16Å; N148-I151 PolarHBondContact O-N 2.77Å; E149-I151 VanDerWaalsContact C-N 3.32Å; I151-K153 VanDerWaalsContact C-N 3.29Å; I151-K153 PolarHBondContact O-N 2.72Å; I151-Y154 PolarHBondContact O-N 2.76Å; I151-Y155 CarbonylContact O-C 3.56Å; I151-Y155 WeakPolarHBondContact O-CA 3.49Å; I151-Y155 WeakPolarHBondContact O-CB 3.36Å; I151-Y155 PolarHBondContact O-N 2.8Å
152	E	91.2	Very high	93.5	Very high	69 Å²	69	86.7 Å²	86.7	32%	0.322	47%	0.465	S	S	.	.	H	α-helix	trans	-61.9	-37.8	-180	-171.2	178.9	170.7	0	0	112.1	N148 E149 P156 R184	N148-E152 PolarHBondContact O-N 3.1Å; E149-E152 PolarHBondContact O-N 3.36Å; E152-P156 WeakPolarHBondContact O-CA 3.45Å; E152-R184 WeakPolarHBondContact OE1-CD 3.13Å; E152-R184 IonicContact OE1-CZ 2.59Å; E152-R184 IonicContact OE1-NE 2.87Å; E152-R184 IonicContact OE1-NH1 3.84Å; E152-R184 PolarHBondContact OE1-NH1 3.39Å; E152-R184 IonicContact OE2-NH1 2.65Å
153	K	91.7	Very high	93.5	Very high	156 Å²	156	88.9 Å²	88.9	68%	0.678	48%	0.482	S	S	*	.	H	α-helix	trans	-65.4	-45.2	178.4	-176.6	179.1	179.5	179.3	0	113.1	E149 T150 I151	E149-K153 WeakPolarHBondContact O-CB 3.35Å; E149-K153 PolarHBondContact O-N 3.46Å; T150-K153 PolarHBondContact O-N 2.96Å; I151-K153 VanDerWaalsContact C-N 3.29Å; I151-K153 PolarHBondContact O-N 2.72Å
154	Y	93.5	Very high	93.7	Very high	156 Å²	156	87 Å²	87	61%	0.612	46%	0.458	S	S	*	.	H	α-helix	trans	-89.9	-28.9	-176.5	-68.5	-66.1	0	0	0	113.2	L145 T150 I151	L145-Y154 HydrophobicContact CD2-CD2 4.41Å; T150-Y154 WeakPolarHBondContact O-CD2 3.17Å; T150-Y154 PolarHBondContact O-N 3.24Å; I151-Y154 PolarHBondContact O-N 2.76Å
155	Y	94.9	Very high	93.8	Very high	143 Å²	143	91.1 Å²	91.1	56%	0.561	47%	0.472	S	S	*	.			trans	-130.3	71.4	-176.7	-57.5	-81.4	0	0	0	110.3	L145 I151 V157	L145-Y155 HydrophobicContact CD1-CD2 4.19Å; L145-Y155 HydrophobicContact CD1-CE2 3.68Å; L145-Y155 HydrophobicContact CD2-CD2 4.3Å; L145-Y155 HydrophobicContact CD2-CE2 4.03Å; L145-Y155 HydrophobicContact CG-CE2 4.47Å; I151-Y155 CarbonylContact O-C 3.56Å; I151-Y155 WeakPolarHBondContact O-CA 3.49Å; I151-Y155 WeakPolarHBondContact O-CB 3.36Å; I151-Y155 PolarHBondContact O-N 2.8Å; Y155-V157 PolarHBondContact O-N 3.4Å
156	P	94.5	Very high	93.9	Very high	43 Å²	43	96 Å²	96	28%	0.279	49%	0.493	S	S	.	.			trans	-72.8	-12.6	-175.3	29.3	-36.8	0	0	0	114.2	E152 N187	E152-P156 WeakPolarHBondContact O-CA 3.45Å; P156-N187 HydrophobicContact CB-CB 3.76Å; P156-N187 WeakPolarHBondContact CB-ND2 3.32Å
157	V	95.4	Very high	94	Very high	63 Å²	63	96.5 Å²	96.5	38%	0.382	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	121.6	-177.9	-176.5	0	0	0	0	109.8	Y155 I159 L181 I183	Y155-V157 PolarHBondContact O-N 3.4Å; V157-I159 HydrophobicContact CG1-CG1 4.31Å; V157-L181 HydrophobicContact CG1-CD1 4.1Å; V157-L181 HydrophobicContact CG1-CD2 4.16Å; V157-L181 HydrophobicContact CG1-CG 3.92Å; V157-I183 HydrophobicContact CG2-CD1 3.94Å; V157-I183 HydrophobicContact CG2-CG1 4.41Å
158	V	96.3	Very high	94	Very high	71 Å²	71	98.1 Å²	98.1	43%	0.43	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	122.2	176.3	-179.6	0	0	0	0	109.4	V160 L181 Q182	V158-V160 HydrophobicContact CG1-CG2 4Å; V158-L181 CarbonylContact O-C 3.56Å; V158-L181 WeakPolarHBondContact O-CA 3.29Å; V158-Q182 HydrophobicContact CB-CB 4.28Å; V158-Q182 PolarHBondContact N-O 3.44Å; V158-Q182 PolarHBondContact O-N 3.27Å
159	I	96.9	Very high	94.1	Very high	76 Å²	76	97.8 Å²	97.8	39%	0.39	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	115.4	175.9	-58.9	175.1	0	0	0	108.2	V157 V179 I239	V157-I159 HydrophobicContact CG1-CG1 4.31Å; I159-V179 HydrophobicContact CG2-CG1 3.76Å; I159-I239 HydrophobicContact CD1-CD1 4.46Å
160	V	96.9	Very high	94.2	Very high	41 Å²	41	94.7 Å²	94.7	25%	0.248	51%	0.511	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	113.6	180	-176.8	0	0	0	0	109.7	V158 T180	V158-V160 HydrophobicContact CG1-CG2 4Å; V160-T180 WeakPolarHBondContact CB-OG1 3.37Å; V160-T180 PolarHBondContact N-O 3.17Å; V160-T180 PolarHBondContact O-N 3.38Å
161	N	96.1	Very high	94.3	Very high	90 Å²	90	99.7 Å²	99.7	48%	0.481	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	139.8	173	-67.9	-29.4	0	0	0	109.6	V179	N161-V179 WeakPolarHBondContact OD1-CG1 3.43Å; N161-V179 WeakPolarHBondContact OD1-CG2 3.26Å
162	R	95.5	Very high	94.2	Very high	115 Å²	115	106.4 Å²	106.4	43%	0.434	56%	0.557	S	S	.	*			trans	-116	125.5	179.8	-64.1	180	179.1	86.1	-1.5	110.3	Y164 S176	R162-Y164 HydrophobicContact CB-CE2 3.95Å; R162-S176 WeakPolarHBondContact O-CA 3.39Å
163	S	94.5	Very high	94.4	Very high	114 Å²	114	104.2 Å²	104.2	80%	0.797	55%	0.547	S	S	*	.			trans	-112.7	139.5	176	-62.2	0	0	0	0	109.8
164	Y	95.1	Very high	94.4	Very high	78 Å²	78	100.6 Å²	100.6	31%	0.306	54%	0.54	S	S	.	.			trans	-121.6	135.8	-176.6	-59.2	-88	0	0	0	109.9	R162 F166 D173 R175	R162-Y164 HydrophobicContact CB-CE2 3.95Å; Y164-F166 VanDerWaalsContact CB-CE2 3.47Å; Y164-F166 HydrophobicContact CD1-CZ 4.42Å; Y164-F166 HydrophobicContact CG-CE2 4.48Å; Y164-F166 HydrophobicContact CG-CZ 4.33Å; Y164-D173 WeakPolarHBondContact CB-OD2 3.49Å; Y164-D173 HydrophobicContact CD2-CB 4.36Å; Y164-D173 WeakPolarHBondContact CD2-OD2 3.24Å; Y164-R175 HydrophobicContact CD2-CB 4.19Å; Y164-R175 HydrophobicContact CE2-CB 3.52Å
165	V	94.6	Very high	94.5	Very high	137 Å²	137	100.8 Å²	100.8	83%	0.83	54%	0.539	S	S	*	.			trans	-122.4	126.8	-178.9	-178.1	0	0	0	0	108.6
166	F	93.4	Very high	94.5	Very high	125 Å²	125	96.2 Å²	96.2	55%	0.548	53%	0.528	S	S	.	.			trans	-132.2	159	-178.9	-53.3	-77.3	0	0	0	110.6	Y164 S168 D173	Y164-F166 VanDerWaalsContact CB-CE2 3.47Å; Y164-F166 HydrophobicContact CD1-CZ 4.42Å; Y164-F166 HydrophobicContact CG-CE2 4.48Å; Y164-F166 HydrophobicContact CG-CZ 4.33Å; F166-S168 PolarHBondContact O-N 2.86Å; F166-D173 HydrophobicContact CE2-CB 4.13Å; F166-D173 WeakPolarHBondContact CE2-OD2 3.19Å; F166-D173 WeakPolarHBondContact CZ-OD2 3.3Å
167	A	93.2	Very high	94.5	Very high	117 Å²	117	98.1 Å²	98.1	97%	0.967	53%	0.53	S	S	*	.	S	Bend	trans	-79.9	7.9	174.9	0	0	0	0	0	113.9
168	S	92.7	Very high	94.5	Very high	78 Å²	78	97 Å²	97	55%	0.545	52%	0.523	S	S	.	.	S	Bend	trans	-75.9	158.6	-180	-174.3	0	0	0	0	111.6	F166 N170	F166-S168 PolarHBondContact O-N 2.86Å; S168-N170 PolarHBondContact O-N 3.29Å; S168-N170 PolarHBondContact OG-N 3.09Å
169	S	94.1	Very high	94.5	Very high	129 Å²	129	93.6 Å²	93.6	90%	0.902	50%	0.503	S	S	*	.	S	Bend	trans	-67.4	-21.6	172.2	55.4	0	0	0	0	113.1
170	N	93.4	Very high	94.4	Very high	93 Å²	93	90.7 Å²	90.7	50%	0.497	49%	0.488	S	S	.	.			trans	-95.9	122.5	178.1	-173.9	6.1	0	0	0	111.3	S168 R172	S168-N170 PolarHBondContact O-N 3.29Å; S168-N170 PolarHBondContact OG-N 3.09Å; N170-R172 WeakPolarHBondContact OD1-CB 3.25Å; N170-R172 WeakPolarHBondContact OD1-CG 3.19Å; N170-R172 PolarHBondContact OD1-N 3.1Å
171	I	92.6	Very high	94.4	Very high	143 Å²	143	88.8 Å²	88.8	73%	0.733	48%	0.477	S	S	*	.			trans	-82.6	-9.4	178.1	63.8	169.9	0	0	0	113.9
172	R	92.5	Very high	94.4	Very high	198 Å²	198	87.1 Å²	87.1	75%	0.747	47%	0.466	S	S	*	.			trans	-87.2	126.2	-171.5	-56.5	-63.5	-174.7	-179.8	0.3	111.1	N170	N170-R172 WeakPolarHBondContact OD1-CB 3.25Å; N170-R172 WeakPolarHBondContact OD1-CG 3.19Å; N170-R172 PolarHBondContact OD1-N 3.1Å
173	D	93.6	Very high	94.4	Very high	23 Å²	23	81.9 Å²	81.9	12%	0.123	45%	0.447	C	S	.	.			trans	-123.5	122	168.6	-172.2	-22.9	0	0	0	109.9	Y164 F166 R175 S176	Y164-D173 WeakPolarHBondContact CB-OD2 3.49Å; Y164-D173 HydrophobicContact CD2-CB 4.36Å; Y164-D173 WeakPolarHBondContact CD2-OD2 3.24Å; F166-D173 HydrophobicContact CE2-CB 4.13Å; F166-D173 WeakPolarHBondContact CE2-OD2 3.19Å; F166-D173 WeakPolarHBondContact CZ-OD2 3.3Å; D173-R175 PolarHBondContact O-N 3.19Å; D173-R175 WeakPolarHBondContact OD1-CB 3.43Å; D173-R175 WeakPolarHBondContact OD1-CG 3.47Å; D173-R175 PolarHBondContact OD1-N 2.81Å; D173-S176 WeakPolarHBondContact O-CB 3.4Å; D173-S176 PolarHBondContact O-N 2.89Å; D173-S176 VanDerWaalsContact O-N 3.13Å; D173-S176 PolarHBondContact O-OG 3.5Å
174	P	93.3	Very high	94.3	Very high	80 Å²	80	80.9 Å²	80.9	52%	0.519	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-57.9	-25.1	176.2	24.6	-35.5	0	0	0	114	S176 R177	P174-S176 PolarHBondContact O-N 3.05Å; P174-R177 VanDerWaalsContact CB-NH1 3.27Å; P174-R177 WeakPolarHBondContact O-CD 3.26Å; P174-R177 WeakPolarHBondContact O-CG 3.35Å; P174-R177 PolarHBondContact O-N 3.15Å
175	R	94.2	Very high	94.2	Very high	159 Å²	159	77.3 Å²	77.3	60%	0.6	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-69.2	-24.3	179.1	-58.8	175.1	84.7	171	6.4	112.5	Y164 D173 R177 V178	Y164-R175 HydrophobicContact CD2-CB 4.19Å; Y164-R175 HydrophobicContact CE2-CB 3.52Å; D173-R175 PolarHBondContact O-N 3.19Å; D173-R175 WeakPolarHBondContact OD1-CB 3.43Å; D173-R175 WeakPolarHBondContact OD1-CG 3.47Å; D173-R175 PolarHBondContact OD1-N 2.81Å; R175-R177 PolarHBondContact O-N 2.8Å; R175-V178 PolarHBondContact O-N 2.67Å
176	S	94.8	Very high	94	Very high	47 Å²	47	74.1 Å²	74.1	33%	0.329	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-66.7	-17.8	179.6	67.3	0	0	0	0	114	R162 D173 P174 V178	R162-S176 WeakPolarHBondContact O-CA 3.39Å; D173-S176 WeakPolarHBondContact O-CB 3.4Å; D173-S176 PolarHBondContact O-N 2.89Å; D173-S176 VanDerWaalsContact O-N 3.13Å; D173-S176 PolarHBondContact O-OG 3.5Å; P174-S176 PolarHBondContact O-N 3.05Å; S176-V178 VanDerWaalsContact C-N 3.32Å
177	R	94.9	Very high	93.9	Very high	83 Å²	83	71.2 Å²	71.2	31%	0.313	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-76.6	-19.9	177.3	83	-165.3	169.4	-131.9	-6.5	113	P174 R175 V179 N234	P174-R177 VanDerWaalsContact CB-NH1 3.27Å; P174-R177 WeakPolarHBondContact O-CD 3.26Å; P174-R177 WeakPolarHBondContact O-CG 3.35Å; P174-R177 PolarHBondContact O-N 3.15Å; R175-R177 PolarHBondContact O-N 2.8Å; R177-V179 PolarHBondContact O-N 3.29Å; R177-N234 PolarHBondContact O-ND2 3.19Å
178	V	94.8	Very high	93.7	Very high	40 Å²	40	67.1 Å²	67.1	24%	0.242	35%	0.347	C	S	.	.			trans	-72.3	120	-175.5	-176.1	0	0	0	0	108.8	R175 S176 E226	R175-V178 PolarHBondContact O-N 2.67Å; S176-V178 VanDerWaalsContact C-N 3.32Å; V178-E226 HydrophobicContact CG2-CB 4.05Å
179	V	96.3	Very high	93.6	Very high	0 Å²	0	68.5 Å²	68.5	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	140.1	176.7	-177.2	0	0	0	0	108.7	I159 N161 R177 S225 S231 N234 L238	I159-V179 HydrophobicContact CG2-CG1 3.76Å; N161-V179 WeakPolarHBondContact OD1-CG1 3.43Å; N161-V179 WeakPolarHBondContact OD1-CG2 3.26Å; R177-V179 PolarHBondContact O-N 3.29Å; V179-S225 PolarHBondContact N-O 3.08Å; V179-S225 VanDerWaalsContact N-O 3.11Å; V179-S225 PolarHBondContact O-N 2.86Å; V179-S231 WeakPolarHBondContact CG2-O 3.45Å; V179-N234 HydrophobicContact CB-CB 4.15Å; V179-N234 HydrophobicContact CG2-CB 3.82Å; V179-L238 HydrophobicContact CB-CD1 3.81Å; V179-L238 HydrophobicContact CG1-CD1 3.68Å; V179-L238 WeakPolarHBondContact O-CD1 3.36Å
180	T	96	Very high	93.4	Very high	14 Å²	14	63.8 Å²	63.8	9%	0.086	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	122.8	173.9	59.9	0	0	0	0	109.2	V160 L223 T224	V160-T180 WeakPolarHBondContact CB-OG1 3.37Å; V160-T180 PolarHBondContact N-O 3.17Å; V160-T180 PolarHBondContact O-N 3.38Å; T180-L223 CarbonylContact C-O 3.42Å; T180-L223 WeakPolarHBondContact CA-O 3.23Å; T180-T224 HydrophobicContact CG2-CG2 3.49Å; T180-T224 VanDerWaalsContact CG2-CG2 3.49Å
181	L	96.6	Very high	93.4	Very high	2 Å²	2	65.1 Å²	65.1	1%	0.01	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	124.9	174.8	-176.9	158	0	0	0	107.9	V157 V158 I183 E222 L223 L238 I239 L242	V157-L181 HydrophobicContact CG1-CD1 4.1Å; V157-L181 HydrophobicContact CG1-CD2 4.16Å; V157-L181 HydrophobicContact CG1-CG 3.92Å; V158-L181 CarbonylContact O-C 3.56Å; V158-L181 WeakPolarHBondContact O-CA 3.29Å; L181-I183 HydrophobicContact CD2-CB 4.28Å; L181-I183 HydrophobicContact CD2-CG2 4.22Å; L181-E222 CarbonylContact O-C 3.3Å; L181-E222 WeakPolarHBondContact O-CA 3.3Å; L181-L223 HydrophobicContact CB-CB 4.47Å; L181-L223 PolarHBondContact N-O 3.29Å; L181-L223 PolarHBondContact O-N 2.94Å; L181-L238 HydrophobicContact CB-CB 4.18Å; L181-L238 HydrophobicContact CB-CD1 4.15Å; L181-L238 HydrophobicContact CD1-CB 4.12Å; L181-I239 HydrophobicContact CD1-CG1 4.3Å; L181-L242 HydrophobicContact CD1-CD2 4.3Å; L181-L242 HydrophobicContact CD2-CD2 4.01Å
182	Q	96	Very high	93	Very high	54 Å²	54	63 Å²	63	25%	0.252	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	136.4	177.5	-59.8	174.9	-28.4	0	0	109.4	V158 I220 L221 E222	V158-Q182 HydrophobicContact CB-CB 4.28Å; V158-Q182 PolarHBondContact N-O 3.44Å; V158-Q182 PolarHBondContact O-N 3.27Å; Q182-I220 HydrophobicContact CB-CG2 4.06Å; Q182-L221 WeakPolarHBondContact CA-O 3.27Å; Q182-E222 HydrophobicContact CG-CB 4.39Å; Q182-E222 HydrophobicContact CG-CG 4.05Å; Q182-E222 PolarHBondContact NE2-OE1 2.92Å
183	I	95.1	Very high	92.8	Very high	6 Å²	6	56.7 Å²	56.7	3%	0.031	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	140.2	177.6	-169.6	171.8	0	0	0	110.7	V157 L181 L188 L221 L242	V157-I183 HydrophobicContact CG2-CD1 3.94Å; V157-I183 HydrophobicContact CG2-CG1 4.41Å; L181-I183 HydrophobicContact CD2-CB 4.28Å; L181-I183 HydrophobicContact CD2-CG2 4.22Å; I183-L188 HydrophobicContact CD1-CD1 3.97Å; I183-L188 HydrophobicContact CD1-CD2 3.47Å; I183-L188 VanDerWaalsContact CD1-CD2 3.47Å; I183-L188 HydrophobicContact CD1-CG 3.63Å; I183-L188 HydrophobicContact CG1-CG 4.39Å; I183-L221 HydrophobicContact CG2-CB 4.11Å; I183-L221 HydrophobicContact CG2-CD2 4.34Å; I183-L221 PolarHBondContact N-O 3.39Å; I183-L221 PolarHBondContact O-N 2.97Å; I183-L242 HydrophobicContact CD1-CD2 4.01Å; I183-L242 HydrophobicContact CG2-CD1 4.15Å
184	R	93.8	Very high	92.7	Very high	92 Å²	92	55.7 Å²	55.7	35%	0.347	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	130.8	171.9	-156.5	173.3	-167.9	169.2	5.5	110.9	E152 S186 N187 T218 D219	E152-R184 WeakPolarHBondContact OE1-CD 3.13Å; E152-R184 IonicContact OE1-CZ 2.59Å; E152-R184 IonicContact OE1-NE 2.87Å; E152-R184 IonicContact OE1-NH1 3.84Å; E152-R184 PolarHBondContact OE1-NH1 3.39Å; E152-R184 IonicContact OE2-NH1 2.65Å; R184-S186 VanDerWaalsContact C-N 3.29Å; R184-S186 WeakPolarHBondContact CD-OG 3.4Å; R184-S186 WeakPolarHBondContact CG-OG 3.23Å; R184-S186 PolarHBondContact O-N 3.31Å; R184-N187 PolarHBondContact O-N 3.43Å; R184-T218 PolarHBondContact NE-O 2.84Å; R184-D219 VanDerWaalsContact CA-O 3.27Å; R184-D219 WeakPolarHBondContact CA-O 3.42Å; R184-D219 HydrophobicContact CG-CB 3.99Å; R184-D219 VanDerWaalsContact CG-O 3.3Å; R184-D219 WeakPolarHBondContact CG-O 3.43Å
185	L	91.5	Very high	92.5	Very high	4 Å²	4	55.1 Å²	55.1	2%	0.021	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-67.3	-31.9	-175.5	-63.1	-179.3	0	0	0	112.7	N187 L188 R195 L198 L199 Y214 D219 L221	L185-N187 PolarHBondContact O-N 3.4Å; L185-N187 VanDerWaalsContact O-N 3.15Å; L185-L188 HydrophobicContact CD2-CD1 4.08Å; L185-L188 PolarHBondContact O-N 3.23Å; L185-R195 HydrophobicContact CD1-CG 4.04Å; L185-L198 HydrophobicContact CD2-CD2 4.06Å; L185-L199 HydrophobicContact CD1-CD1 3.97Å; L185-L199 HydrophobicContact CD1-CD2 3.79Å; L185-L199 HydrophobicContact CD1-CG 3.9Å; L185-Y214 HydrophobicContact CD1-CD2 3.99Å; L185-Y214 HydrophobicContact CD1-CE2 3.33Å; L185-Y214 HydrophobicContact CG-CD2 4.43Å; L185-Y214 HydrophobicContact CG-CE2 3.82Å; L185-D219 WeakPolarHBondContact CB-OD1 3.06Å; L185-D219 PolarHBondContact N-O 3.28Å; L185-D219 VanDerWaalsContact N-O 3.09Å; L185-L221 HydrophobicContact CD2-CB 3.96Å; L185-L221 HydrophobicContact CD2-CD2 4.05Å; L185-L221 HydrophobicContact CG-CB 4.44Å
186	S	90.6	Very high	92	Very high	69 Å²	69	48.1 Å²	48.1	48%	0.483	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-52.9	-31.5	173.6	61.4	0	0	0	0	113.6	R184 L188 D219	R184-S186 VanDerWaalsContact C-N 3.29Å; R184-S186 WeakPolarHBondContact CD-OG 3.4Å; R184-S186 WeakPolarHBondContact CG-OG 3.23Å; R184-S186 PolarHBondContact O-N 3.31Å; S186-L188 PolarHBondContact O-N 2.91Å; S186-D219 WeakPolarHBondContact CB-OD2 3.45Å; S186-D219 PolarHBondContact N-OD2 3.11Å
187	N	91.9	Very high	91.7	Very high	65 Å²	65	46.8 Å²	46.8	35%	0.348	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-81	-11.3	-178.4	-66.8	-22.4	0	0	0	113.7	P156 R184 L185	P156-N187 HydrophobicContact CB-CB 3.76Å; P156-N187 WeakPolarHBondContact CB-ND2 3.32Å; R184-N187 PolarHBondContact O-N 3.43Å; L185-N187 PolarHBondContact O-N 3.4Å; L185-N187 VanDerWaalsContact O-N 3.15Å
188	L	90	Very high	91.5	Very high	31 Å²	31	42.8 Å²	42.8	16%	0.162	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-85.2	-3.2	-178.3	-75.4	171.9	0	0	0	114.2	I183 L185 S186 L190 L198 L242 T246	I183-L188 HydrophobicContact CD1-CD1 3.97Å; I183-L188 HydrophobicContact CD1-CD2 3.47Å; I183-L188 VanDerWaalsContact CD1-CD2 3.47Å; I183-L188 HydrophobicContact CD1-CG 3.63Å; I183-L188 HydrophobicContact CG1-CG 4.39Å; L185-L188 HydrophobicContact CD2-CD1 4.08Å; L185-L188 PolarHBondContact O-N 3.23Å; S186-L188 PolarHBondContact O-N 2.91Å; L188-L190 VanDerWaalsContact C-N 3.27Å; L188-L190 HydrophobicContact CB-CD1 3.89Å; L188-L190 HydrophobicContact CB-CG 3.76Å; L188-L190 HydrophobicContact CD1-CD1 4.12Å; L188-L190 PolarHBondContact O-N 3.22Å; L188-L198 HydrophobicContact CD1-CD1 4.37Å; L188-L242 HydrophobicContact CD1-CD1 4.41Å; L188-T246 HydrophobicContact CD1-CG2 4.05Å; L188-T246 HydrophobicContact CD2-CG2 3.98Å
189	S	89.2	Confident	91.2	Very high	106 Å²	106	40.9 Å²	40.9	74%	0.741	21%	0.212	S	C	*	.			trans	50.3	44.3	-179.1	62.4	0	0	0	0	113.3
190	L	91.4	Very high	90.5	Very high	31 Å²	31	44.5 Å²	44.5	16%	0.162	23%	0.226	C	C	.	.			trans	-91.4	143	179.9	-61.2	175.6	0	0	0	110.6	L188 A194 R195 L198 K250	L188-L190 VanDerWaalsContact C-N 3.27Å; L188-L190 HydrophobicContact CB-CD1 3.89Å; L188-L190 HydrophobicContact CB-CG 3.76Å; L188-L190 HydrophobicContact CD1-CD1 4.12Å; L188-L190 PolarHBondContact O-N 3.22Å; L190-A194 HydrophobicContact CB-CB 4.1Å; L190-A194 HydrophobicContact CD2-CB 4.28Å; L190-R195 HydrophobicContact CB-CB 4.42Å; L190-L198 HydrophobicContact CD1-CD1 3.6Å; L190-K250 HydrophobicContact CD2-CG 4.32Å
191	D	91.4	Very high	90.1	Very high	120 Å²	120	48.1 Å²	48.1	64%	0.642	24%	0.244	S	C	*	.			trans	-66.4	162.9	168.1	-169.9	19.2	0	0	0	111	H193 A194 R195	D191-H193 VanDerWaalsContact C-N 3.28Å; D191-H193 PolarHBondContact O-N 3.49Å; D191-A194 HydrophobicContact CB-CB 4.49Å; D191-A194 PolarHBondContact O-N 3Å; D191-A194 VanDerWaalsContact O-N 3.08Å; D191-R195 WeakPolarHBondContact O-CB 3.43Å; D191-R195 PolarHBondContact O-N 3.5Å
192	E	86.1	Confident	89.6	Confident	98 Å²	98	48.5 Å²	48.5	46%	0.458	25%	0.247	S	C	.	.	H	α-helix	trans	-56.7	-43.9	-179.2	-170.2	-176.9	163.3	0	0	111.3	R195 R196 Q266	E192-R195 PolarHBondContact O-N 2.96Å; E192-R196 PolarHBondContact O-N 3.15Å; E192-R196 VanDerWaalsContact O-N 3.09Å; E192-R196 IonicContact OE1-CZ 3.17Å; E192-R196 IonicContact OE1-NH1 2.66Å; E192-R196 PolarHBondContact OE1-NH1 2.94Å; E192-R196 IonicContact OE1-NH2 2.71Å; E192-R196 PolarHBondContact OE1-NH2 3.39Å; E192-Q266 PolarHBondContact OE1-NE2 2.97Å
193	H	87.6	Confident	88.9	Confident	66 Å²	66	48.7 Å²	48.7	31%	0.306	25%	0.249	S	C	.	.	H	α-helix	trans	-56.4	-52.7	172.6	166.1	-88.5	0	0	0	111.5	D191 R195 R196 K197 T252 E256	D191-H193 VanDerWaalsContact C-N 3.28Å; D191-H193 PolarHBondContact O-N 3.49Å; H193-R195 VanDerWaalsContact C-N 3.34Å; H193-R195 PolarHBondContact O-N 3.25Å; H193-R196 PolarHBondContact O-N 2.86Å; H193-K197 WeakPolarHBondContact O-CB 3.32Å; H193-K197 PolarHBondContact O-N 3.48Å; H193-T252 VanDerWaalsContact CE1-CG2 3.43Å; H193-T252 WeakPolarHBondContact CE1-CG2 3.47Å; H193-E256 IonicContact CD2-OE2 3.86Å; H193-E256 IonicContact CE1-OE2 3.14Å; H193-E256 PolarHBondContact CE1-OE2 2.77Å; H193-E256 IonicContact NE2-OE2 3.94Å; H193-E256 PolarHBondContact NE2-OE2 2.96Å
194	A	90.9	Very high	87.6	Confident	2 Å²	2	49.9 Å²	49.9	2%	0.017	26%	0.262	C	S	.	.	H	α-helix	trans	-66.3	-35.2	-176.8	0	0	0	0	0	112.3	L190 D191 L198 S249 K250	L190-A194 HydrophobicContact CB-CB 4.1Å; L190-A194 HydrophobicContact CD2-CB 4.28Å; D191-A194 HydrophobicContact CB-CB 4.49Å; D191-A194 PolarHBondContact O-N 3Å; D191-A194 VanDerWaalsContact O-N 3.08Å; A194-L198 WeakPolarHBondContact O-CB 3.27Å; A194-L198 PolarHBondContact O-N 2.97Å; A194-S249 VanDerWaalsContact CA-O 3.32Å; A194-S249 WeakPolarHBondContact CA-O 3.42Å; A194-S249 WeakPolarHBondContact CB-O 3.16Å; A194-S249 VanDerWaalsContact O-CB 3.22Å; A194-S249 WeakPolarHBondContact O-CB 3.5Å; A194-S249 PolarHBondContact O-OG 3.49Å; A194-K250 HydrophobicContact CB-CG 4.3Å
195	R	89.5	Confident	86.1	Confident	69 Å²	69	51.6 Å²	51.6	26%	0.26	29%	0.285	S	S	.	.	H	α-helix	trans	-64.6	-47	175.7	-171.7	-179.8	176.4	-165.3	-2.8	111	L185 L190 D191 E192 H193 L198 L199 Y214 D219 L328	L185-R195 HydrophobicContact CD1-CG 4.04Å; L190-R195 HydrophobicContact CB-CB 4.42Å; D191-R195 WeakPolarHBondContact O-CB 3.43Å; D191-R195 PolarHBondContact O-N 3.5Å; E192-R195 PolarHBondContact O-N 2.96Å; H193-R195 VanDerWaalsContact C-N 3.34Å; H193-R195 PolarHBondContact O-N 3.25Å; R195-L198 PolarHBondContact O-N 3.46Å; R195-L199 PolarHBondContact O-N 2.9Å; R195-L199 VanDerWaalsContact O-N 3.12Å; R195-Y214 PolarHBondContact NH2-OH 3.27Å; R195-D219 IonicContact CZ-OD1 3.45Å; R195-D219 IonicContact NE-OD1 3.87Å; R195-D219 IonicContact NH2-OD1 3.72Å; R195-D219 PolarHBondContact NH2-OD1 3.26Å; R195-D219 IonicContact NH2-OD2 2.7Å; R195-L328 HydrophobicContact CG-CD2 4.09Å
196	R	84.6	Confident	84.4	Confident	12 Å²	12	53.7 Å²	53.7	5%	0.045	31%	0.308	C	S	.	.	H	α-helix	trans	-65.1	-46.5	177.1	-72.3	-159	179	97.8	8.1	111.7	E192 H193 L198 L199 R200 Q266 D326 L328	E192-R196 PolarHBondContact O-N 3.15Å; E192-R196 VanDerWaalsContact O-N 3.09Å; E192-R196 IonicContact OE1-CZ 3.17Å; E192-R196 IonicContact OE1-NH1 2.66Å; E192-R196 PolarHBondContact OE1-NH1 2.94Å; E192-R196 IonicContact OE1-NH2 2.71Å; E192-R196 PolarHBondContact OE1-NH2 3.39Å; H193-R196 PolarHBondContact O-N 2.86Å; R196-L198 VanDerWaalsContact C-N 3.31Å; R196-L198 PolarHBondContact O-N 3.44Å; R196-L199 PolarHBondContact O-N 2.88Å; R196-R200 WeakPolarHBondContact O-CG 3.42Å; R196-R200 PolarHBondContact O-N 2.88Å; R196-Q266 VanDerWaalsContact CZ-CD 3.41Å; R196-Q266 VanDerWaalsContact NH1-NE2 3.17Å; R196-D326 IonicContact CZ-OD1 3.95Å; R196-D326 IonicContact CZ-OD2 2.72Å; R196-D326 IonicContact NE-OD1 2.72Å; R196-D326 PolarHBondContact NE-OD1 2.94Å; R196-D326 IonicContact NE-OD2 2.56Å; R196-D326 IonicContact NH2-OD1 3.72Å; R196-D326 IonicContact NH2-OD2 3.63Å; R196-D326 PolarHBondContact NH2-OD2 2.79Å; R196-L328 HydrophobicContact CG-CD1 3.97Å; R196-L328 HydrophobicContact CG-CG 4.25Å
197	K	88	Confident	82	Confident	18 Å²	18	57.4 Å²	57.4	8%	0.078	33%	0.331	C	S	.	.	H	α-helix	trans	-59.5	-43	178.1	-176.5	169.2	171.6	179.3	0	111.2	H193 L199 R200 L201 E248 K251 E256	H193-K197 WeakPolarHBondContact O-CB 3.32Å; H193-K197 PolarHBondContact O-N 3.48Å; K197-L199 PolarHBondContact O-N 2.82Å; K197-R200 PolarHBondContact O-N 3.34Å; K197-L201 HydrophobicContact CG-CD1 4.06Å; K197-L201 HydrophobicContact CG-CG 4.37Å; K197-L201 VanDerWaalsContact O-CG 3.29Å; K197-L201 WeakPolarHBondContact O-CG 3.35Å; K197-L201 PolarHBondContact O-N 3.23Å; K197-E248 WeakPolarHBondContact CE-O 3.2Å; K197-E248 PolarHBondContact NZ-O 3.49Å; K197-K251 PolarHBondContact NZ-O 3.19Å; K197-E256 VanDerWaalsContact CE-OE1 3.29Å; K197-E256 WeakPolarHBondContact CE-OE1 3.46Å; K197-E256 IonicContact NZ-OE1 3.62Å; K197-E256 PolarHBondContact NZ-OE1 3.48Å
198	L	90.5	Very high	80	Confident	0 Å²	0	57 Å²	57	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-59.1	-49.5	176.4	-172.2	152.1	0	0	0	111.7	L185 L188 L190 A194 R195 R196 R200 L201 A202 L221 L245 T246	L185-L198 HydrophobicContact CD2-CD2 4.06Å; L188-L198 HydrophobicContact CD1-CD1 4.37Å; L190-L198 HydrophobicContact CD1-CD1 3.6Å; A194-L198 WeakPolarHBondContact O-CB 3.27Å; A194-L198 PolarHBondContact O-N 2.97Å; R195-L198 PolarHBondContact O-N 3.46Å; R196-L198 VanDerWaalsContact C-N 3.31Å; R196-L198 PolarHBondContact O-N 3.44Å; L198-R200 VanDerWaalsContact C-N 3.29Å; L198-R200 PolarHBondContact O-N 3.35Å; L198-L201 PolarHBondContact O-N 2.92Å; L198-A202 VanDerWaalsContact O-CB 3.3Å; L198-A202 WeakPolarHBondContact O-CB 3.3Å; L198-A202 PolarHBondContact O-N 3.38Å; L198-L221 HydrophobicContact CD2-CD2 3.59Å; L198-L245 HydrophobicContact CD1-CB 4.44Å; L198-L245 HydrophobicContact CG-CB 4.34Å; L198-T246 HydrophobicContact CD1-CG2 3.94Å
199	L	88	Confident	78.4	Confident	0 Å²	0	65 Å²	65	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-60.8	-38.5	179.2	-77.5	178.5	0	0	0	112.3	L185 R195 R196 K197 A202 M203 Y214 L221 I327 L328	L185-L199 HydrophobicContact CD1-CD1 3.97Å; L185-L199 HydrophobicContact CD1-CD2 3.79Å; L185-L199 HydrophobicContact CD1-CG 3.9Å; R195-L199 PolarHBondContact O-N 2.9Å; R195-L199 VanDerWaalsContact O-N 3.12Å; R196-L199 PolarHBondContact O-N 2.88Å; K197-L199 PolarHBondContact O-N 2.82Å; L199-A202 PolarHBondContact O-N 3.5Å; L199-M203 HydrophobicContact CB-CE 4.16Å; L199-M203 HydrophobicContact CD2-CE 4.19Å; L199-M203 WeakPolarHBondContact O-CB 3.33Å; L199-M203 PolarHBondContact O-N 3.3Å; L199-Y214 HydrophobicContact CD1-CD1 4.23Å; L199-Y214 HydrophobicContact CD1-CE1 4.01Å; L199-Y214 HydrophobicContact CD2-CD1 3.85Å; L199-Y214 HydrophobicContact CD2-CD2 3.73Å; L199-Y214 HydrophobicContact CD2-CE1 4.3Å; L199-Y214 HydrophobicContact CD2-CE2 4.2Å; L199-Y214 HydrophobicContact CD2-CG 3.53Å; L199-L221 HydrophobicContact CD2-CD1 4.4Å; L199-I327 HydrophobicContact CB-CG2 4.4Å; L199-I327 HydrophobicContact CD1-CG2 4.04Å; L199-L328 HydrophobicContact CD1-CD2 3.6Å
200	R	82.7	Confident	77.2	Confident	76 Å²	76	66 Å²	66	29%	0.287	37%	0.367	S	S	.	.	H	α-helix	trans	-68.7	-40.2	175.6	-70.2	-176.8	-168.8	157.4	2.1	113	R196 K197 L198 A202 G204 D263 I327	R196-R200 WeakPolarHBondContact O-CG 3.42Å; R196-R200 PolarHBondContact O-N 2.88Å; K197-R200 PolarHBondContact O-N 3.34Å; L198-R200 VanDerWaalsContact C-N 3.29Å; L198-R200 PolarHBondContact O-N 3.35Å; R200-A202 VanDerWaalsContact C-N 3.32Å; R200-G204 WeakPolarHBondContact O-CA 3.28Å; R200-G204 PolarHBondContact O-N 3.47Å; R200-D263 IonicContact CZ-OD1 3.29Å; R200-D263 IonicContact CZ-OD2 2.8Å; R200-D263 IonicContact NE-OD1 3.89Å; R200-D263 IonicContact NH1-OD1 3.62Å; R200-D263 PolarHBondContact NH1-OD1 3.09Å; R200-D263 IonicContact NH1-OD2 3.6Å; R200-D263 PolarHBondContact NH1-OD2 3.45Å; R200-D263 IonicContact NH2-OD1 3.7Å; R200-D263 PolarHBondContact NH2-OD1 2.93Å; R200-D263 VanDerWaalsContact NH2-OD1 3.1Å; R200-D263 IonicContact NH2-OD2 2.67Å; R200-D263 PolarHBondContact NH2-OD2 3.14Å; R200-I327 HydrophobicContact CG-CD1 4.11Å
201	L	87.6	Confident	76.6	Confident	90 Å²	90	67.1 Å²	67.1	47%	0.471	38%	0.375	S	S	.	.	H	α-helix	trans	-66.5	-37.7	175.8	-69.8	174.7	0	0	0	111.5	K197 L198 L245 E248	K197-L201 HydrophobicContact CG-CD1 4.06Å; K197-L201 HydrophobicContact CG-CG 4.37Å; K197-L201 VanDerWaalsContact O-CG 3.29Å; K197-L201 WeakPolarHBondContact O-CG 3.35Å; K197-L201 PolarHBondContact O-N 3.23Å; L198-L201 PolarHBondContact O-N 2.92Å; L201-L245 HydrophobicContact CB-CD2 3.67Å; L201-E248 HydrophobicContact CD1-CB 4.16Å
202	A	86.2	Confident	76.3	Confident	9 Å²	9	61.8 Å²	61.8	7%	0.074	35%	0.347	C	S	.	.	H	α-helix	trans	-77.7	-49.3	-177.3	0	0	0	0	0	113	L198 L199 R200 A212 L221 L245	L198-A202 VanDerWaalsContact O-CB 3.3Å; L198-A202 WeakPolarHBondContact O-CB 3.3Å; L198-A202 PolarHBondContact O-N 3.38Å; L199-A202 PolarHBondContact O-N 3.5Å; R200-A202 VanDerWaalsContact C-N 3.32Å; A202-A212 HydrophobicContact CB-CB 3.74Å; A202-A212 WeakPolarHBondContact O-CB 3.38Å; A202-L221 HydrophobicContact CB-CD1 4.3Å; A202-L245 HydrophobicContact CB-CD1 4.22Å
203	M	79.4	Confident	76.4	Confident	58 Å²	58	59.5 Å²	59.5	29%	0.286	34%	0.34	S	S	.	.	H	α-helix	trans	-93	-12.2	-176.3	-62.7	-166.6	-65.7	0	0	114.2	L199 I327	L199-M203 HydrophobicContact CB-CE 4.16Å; L199-M203 HydrophobicContact CD2-CE 4.19Å; L199-M203 WeakPolarHBondContact O-CB 3.33Å; L199-M203 PolarHBondContact O-N 3.3Å; M203-I327 HydrophobicContact CE-CG2 4.04Å
204	G	68.7	Low	76.4	Confident	31 Å²	31	57.2 Å²	57.2	32%	0.32	33%	0.329	S	S	.	.	S	Bend	trans	-50	155.1	-167.5	0	0	0	0	0	113.6	R200 G206	R200-G204 WeakPolarHBondContact O-CA 3.28Å; R200-G204 PolarHBondContact O-N 3.47Å; G204-G206 PolarHBondContact O-N 2.9Å
205	P	61.9	Low	76.2	Confident	128 Å²	128	59.8 Å²	59.8	83%	0.831	34%	0.343	S	S	*	.	S	Bend	trans	-69.3	25.2	-171.4	30.7	-37.4	0	0	0	114.6
206	G	56.7	Low	75.7	Confident	48 Å²	48	61 Å²	61	50%	0.495	35%	0.347	S	S	.	.			trans	-61.8	158.3	177.4	0	0	0	0	0	112.7	G204 G208	G204-G206 PolarHBondContact O-N 2.9Å; G206-G208 PolarHBondContact O-N 3.01Å
207	P	39.2	Very low	75.7	Confident	148 Å²	148	66.7 Å²	66.7	96%	0.961	38%	0.378	S	S	*	.	S	Bend	trans	-68.4	96.1	179.3	28.2	-33.4	0	0	0	110.2
208	G	50.8	Low	75.6	Confident	56 Å²	56	68.3 Å²	68.3	58%	0.577	39%	0.39	S	S	*	.	S	Bend	trans	-176.2	148.3	176.5	0	0	0	0	0	111.8	G206	G206-G208 PolarHBondContact O-N 3.01Å
209	R	55.7	Low	75.5	Confident	199 Å²	199	69.2 Å²	69.2	75%	0.751	40%	0.395	S	S	*	.	S	Bend	trans	-54	145.2	163.3	-65.5	178.2	178.8	171.3	-2.2	108	T211 E226	R209-T211 VanDerWaalsContact C-N 3.26Å; R209-T211 VanDerWaalsContact O-CG2 3.28Å; R209-T211 WeakPolarHBondContact O-CG2 2.98Å; R209-T211 PolarHBondContact O-N 3.12Å; R209-E226 IonicContact NH1-OE1 2.7Å; R209-E226 PolarHBondContact NH1-OE1 2.76Å
210	N	63.8	Low	75.7	Confident	128 Å²	128	71.7 Å²	71.7	68%	0.684	41%	0.408	S	S	*	.			trans	-42.7	85.9	178.2	-62.8	0.7	0	0	0	111.7	A212 T213	N210-A212 VanDerWaalsContact C-N 3.29Å; N210-T213 HydrophobicContact CB-CG2 4.36Å
211	T	78.8	Confident	76.2	Confident	54 Å²	54	68.1 Å²	68.1	33%	0.331	39%	0.394	S	S	.	.			trans	-74.6	-31.8	-176.3	52.5	0	0	0	0	109.9	R209 T224	R209-T211 VanDerWaalsContact C-N 3.26Å; R209-T211 VanDerWaalsContact O-CG2 3.28Å; R209-T211 WeakPolarHBondContact O-CG2 2.98Å; R209-T211 PolarHBondContact O-N 3.12Å; T211-T224 PolarHBondContact O-N 2.91Å; T211-T224 PolarHBondContact O-OG1 2.74Å
212	A	86.2	Confident	76.5	Confident	7 Å²	7	67 Å²	67	6%	0.058	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	142.7	170.1	0	0	0	0	0	110.5	A202 N210 L221 E222 L223	A202-A212 HydrophobicContact CB-CB 3.74Å; A202-A212 WeakPolarHBondContact O-CB 3.38Å; N210-A212 VanDerWaalsContact C-N 3.29Å; A212-L221 HydrophobicContact CB-CD1 4.2Å; A212-E222 CarbonylContact C-O 3.59Å; A212-E222 WeakPolarHBondContact CA-O 3.4Å; A212-L223 HydrophobicContact CB-CD2 3.55Å
213	T	87.1	Confident	76.9	Confident	51 Å²	51	66.6 Å²	66.6	31%	0.313	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	141	165	39.7	0	0	0	0	107.4	N210 E222	N210-T213 HydrophobicContact CB-CG2 4.36Å; T213-E222 PolarHBondContact N-O 3.16Å; T213-E222 PolarHBondContact O-N 2.9Å; T213-E222 WeakPolarHBondContact OG1-CB 3.27Å; T213-E222 PolarHBondContact OG1-OE2 3.12Å; T213-E222 VanDerWaalsContact OG1-OE2 3.05Å
214	Y	88.2	Confident	77.6	Confident	18 Å²	18	66.2 Å²	66.2	7%	0.071	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	126.7	176	173.9	-106.3	0	0	0	108.3	L185 R195 L199 W216 D219 I220 L221	L185-Y214 HydrophobicContact CD1-CD2 3.99Å; L185-Y214 HydrophobicContact CD1-CE2 3.33Å; L185-Y214 HydrophobicContact CG-CD2 4.43Å; L185-Y214 HydrophobicContact CG-CE2 3.82Å; R195-Y214 PolarHBondContact NH2-OH 3.27Å; L199-Y214 HydrophobicContact CD1-CD1 4.23Å; L199-Y214 HydrophobicContact CD1-CE1 4.01Å; L199-Y214 HydrophobicContact CD2-CD1 3.85Å; L199-Y214 HydrophobicContact CD2-CD2 3.73Å; L199-Y214 HydrophobicContact CD2-CE1 4.3Å; L199-Y214 HydrophobicContact CD2-CE2 4.2Å; L199-Y214 HydrophobicContact CD2-CG 3.53Å; Y214-W216 HydrophobicContact CE1-CB 4.25Å; Y214-D219 PolarHBondContact OH-OD1 3.27Å; Y214-I220 WeakPolarHBondContact CA-O 3.41Å; Y214-I220 WeakPolarHBondContact CD2-O 3.4Å; Y214-L221 HydrophobicContact CD2-CB 4.16Å
215	D	86	Confident	78.8	Confident	56 Å²	56	64.9 Å²	64.9	30%	0.299	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	113.1	173.8	178.4	16.3	0	0	0	109	N217 T218 D219 I220	D215-N217 VanDerWaalsContact C-N 3.3Å; D215-N217 PolarHBondContact O-N 3.09Å; D215-N217 PolarHBondContact OD1-N 3.38Å; D215-N217 VanDerWaalsContact OD1-N 3.14Å; D215-T218 WeakPolarHBondContact CB-OG1 3.31Å; D215-T218 WeakPolarHBondContact OD2-CB 3.35Å; D215-T218 VanDerWaalsContact OD2-CG2 3.24Å; D215-T218 WeakPolarHBondContact OD2-CG2 3.28Å; D215-T218 PolarHBondContact OD2-OG1 3.18Å; D215-D219 WeakPolarHBondContact O-CA 3.34Å; D215-D219 PolarHBondContact O-N 2.75Å; D215-I220 PolarHBondContact N-O 3.43Å; D215-I220 PolarHBondContact O-N 3.06Å
216	W	79.4	Confident	80.2	Confident	94 Å²	94	62.8 Å²	62.8	36%	0.356	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-28.6	-178.8	52.6	84	0	0	0	112.5	Y214 D331	Y214-W216 HydrophobicContact CE1-CB 4.25Å; W216-D331 HydrophobicContact CE3-CB 4.43Å; W216-D331 HydrophobicContact CH2-CB 3.95Å; W216-D331 WeakPolarHBondContact CH2-OD2 3.38Å; W216-D331 HydrophobicContact CZ2-CB 4.11Å; W216-D331 WeakPolarHBondContact CZ2-OD1 3.26Å; W216-D331 WeakPolarHBondContact CZ2-OD2 3.23Å; W216-D331 HydrophobicContact CZ3-CB 4.13Å; W216-D331 PolarHBondContact NE1-OD1 3.11Å
217	N	84.1	Confident	81.8	Confident	131 Å²	131	69 Å²	69	70%	0.701	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-38.4	-178.8	-69.8	-38.6	0	0	0	111.3	D215	D215-N217 VanDerWaalsContact C-N 3.3Å; D215-N217 PolarHBondContact O-N 3.09Å; D215-N217 PolarHBondContact OD1-N 3.38Å; D215-N217 VanDerWaalsContact OD1-N 3.14Å
218	T	86.7	Confident	84.4	Confident	52 Å²	52	63.6 Å²	63.6	32%	0.319	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-13	-176.6	57.9	0	0	0	0	113.4	R184 D215 I220	R184-T218 PolarHBondContact NE-O 2.84Å; D215-T218 WeakPolarHBondContact CB-OG1 3.31Å; D215-T218 WeakPolarHBondContact OD2-CB 3.35Å; D215-T218 VanDerWaalsContact OD2-CG2 3.24Å; D215-T218 WeakPolarHBondContact OD2-CG2 3.28Å; D215-T218 PolarHBondContact OD2-OG1 3.18Å; T218-I220 HydrophobicContact CG2-CD1 4.48Å; T218-I220 WeakPolarHBondContact OG1-CG1 3.37Å
219	D	89.3	Confident	86.5	Confident	19 Å²	19	66.2 Å²	66.2	10%	0.102	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.6	28.2	-172.1	-171.9	42.2	0	0	0	112.8	R184 L185 S186 R195 Y214 D215	R184-D219 VanDerWaalsContact CA-O 3.27Å; R184-D219 WeakPolarHBondContact CA-O 3.42Å; R184-D219 HydrophobicContact CG-CB 3.99Å; R184-D219 VanDerWaalsContact CG-O 3.3Å; R184-D219 WeakPolarHBondContact CG-O 3.43Å; L185-D219 WeakPolarHBondContact CB-OD1 3.06Å; L185-D219 PolarHBondContact N-O 3.28Å; L185-D219 VanDerWaalsContact N-O 3.09Å; S186-D219 WeakPolarHBondContact CB-OD2 3.45Å; S186-D219 PolarHBondContact N-OD2 3.11Å; R195-D219 IonicContact CZ-OD1 3.45Å; R195-D219 IonicContact NE-OD1 3.87Å; R195-D219 IonicContact NH2-OD1 3.72Å; R195-D219 PolarHBondContact NH2-OD1 3.26Å; R195-D219 IonicContact NH2-OD2 2.7Å; Y214-D219 PolarHBondContact OH-OD1 3.27Å; D215-D219 WeakPolarHBondContact O-CA 3.34Å; D215-D219 PolarHBondContact O-N 2.75Å
220	I	92	Very high	88.4	Confident	53 Å²	53	59.9 Å²	59.9	27%	0.272	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	121	-176.8	-60.3	174.1	0	0	0	110	Q182 Y214 D215 T218 E222	Q182-I220 HydrophobicContact CB-CG2 4.06Å; Y214-I220 WeakPolarHBondContact CA-O 3.41Å; Y214-I220 WeakPolarHBondContact CD2-O 3.4Å; D215-I220 PolarHBondContact N-O 3.43Å; D215-I220 PolarHBondContact O-N 3.06Å; T218-I220 HydrophobicContact CG2-CD1 4.48Å; T218-I220 WeakPolarHBondContact OG1-CG1 3.37Å; I220-E222 HydrophobicContact CG2-CG 4.11Å
221	L	92.9	Very high	89.9	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	120.9	166.8	178.1	70	0	0	0	109.5	Q182 I183 L185 L198 L199 A202 A212 Y214 L223	Q182-L221 WeakPolarHBondContact CA-O 3.27Å; I183-L221 HydrophobicContact CG2-CB 4.11Å; I183-L221 HydrophobicContact CG2-CD2 4.34Å; I183-L221 PolarHBondContact N-O 3.39Å; I183-L221 PolarHBondContact O-N 2.97Å; L185-L221 HydrophobicContact CD2-CB 3.96Å; L185-L221 HydrophobicContact CD2-CD2 4.05Å; L185-L221 HydrophobicContact CG-CB 4.44Å; L198-L221 HydrophobicContact CD2-CD2 3.59Å; L199-L221 HydrophobicContact CD2-CD1 4.4Å; A202-L221 HydrophobicContact CB-CD1 4.3Å; A212-L221 HydrophobicContact CB-CD1 4.2Å; Y214-L221 HydrophobicContact CD2-CB 4.16Å; L221-L223 HydrophobicContact CD1-CD2 4.36Å; L221-L223 HydrophobicContact CD2-CD2 4.3Å; L221-L223 HydrophobicContact CD2-CG 4.44Å; L221-L223 HydrophobicContact CG-CD2 4.25Å; L221-L223 HydrophobicContact CG-CG 4.39Å
222	E	93.8	Very high	90.8	Very high	66 Å²	66	60.5 Å²	60.5	31%	0.308	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	122.5	173.8	-42.6	-170.3	121.2	0	0	110.1	L181 Q182 A212 T213 I220	L181-E222 CarbonylContact O-C 3.3Å; L181-E222 WeakPolarHBondContact O-CA 3.3Å; Q182-E222 HydrophobicContact CG-CB 4.39Å; Q182-E222 HydrophobicContact CG-CG 4.05Å; Q182-E222 PolarHBondContact NE2-OE1 2.92Å; A212-E222 CarbonylContact C-O 3.59Å; A212-E222 WeakPolarHBondContact CA-O 3.4Å; T213-E222 PolarHBondContact N-O 3.16Å; T213-E222 PolarHBondContact O-N 2.9Å; T213-E222 WeakPolarHBondContact OG1-CB 3.27Å; T213-E222 PolarHBondContact OG1-OE2 3.12Å; T213-E222 VanDerWaalsContact OG1-OE2 3.05Å; I220-E222 HydrophobicContact CG2-CG 4.11Å
223	L	94.2	Very high	91.3	Very high	1 Å²	1	64.6 Å²	64.6	1%	0.005	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	126.8	172.4	-58.6	178.1	0	0	0	108.9	T180 L181 A212 L221 L238 L241 L242 L245	T180-L223 CarbonylContact C-O 3.42Å; T180-L223 WeakPolarHBondContact CA-O 3.23Å; L181-L223 HydrophobicContact CB-CB 4.47Å; L181-L223 PolarHBondContact N-O 3.29Å; L181-L223 PolarHBondContact O-N 2.94Å; A212-L223 HydrophobicContact CB-CD2 3.55Å; L221-L223 HydrophobicContact CD1-CD2 4.36Å; L221-L223 HydrophobicContact CD2-CD2 4.3Å; L221-L223 HydrophobicContact CD2-CG 4.44Å; L221-L223 HydrophobicContact CG-CD2 4.25Å; L221-L223 HydrophobicContact CG-CG 4.39Å; L223-L238 HydrophobicContact CB-CD2 3.74Å; L223-L241 HydrophobicContact CD1-CD2 4.41Å; L223-L242 HydrophobicContact CD1-CB 4.12Å; L223-L242 HydrophobicContact CD1-CD1 4.29Å; L223-L245 HydrophobicContact CD1-CD1 4.22Å; L223-L245 HydrophobicContact CD2-CD1 4.25Å
224	T	93.9	Very high	91.7	Very high	50 Å²	50	62.2 Å²	62.2	31%	0.307	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	134.9	-176.8	70.9	0	0	0	0	110.9	T180 T211	T180-T224 HydrophobicContact CG2-CG2 3.49Å; T180-T224 VanDerWaalsContact CG2-CG2 3.49Å; T211-T224 PolarHBondContact O-N 2.91Å; T211-T224 PolarHBondContact O-OG1 2.74Å
225	S	93.5	Very high	92.1	Very high	4 Å²	4	62.3 Å²	62.3	3%	0.028	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	133.1	176.4	-176.1	0	0	0	0	112	V179 R227 N234 F237	V179-S225 PolarHBondContact N-O 3.08Å; V179-S225 VanDerWaalsContact N-O 3.11Å; V179-S225 PolarHBondContact O-N 2.86Å; S225-R227 PolarHBondContact OG-N 3.23Å; S225-N234 PolarHBondContact OG-OD1 3.33Å; S225-N234 VanDerWaalsContact OG-OD1 3.04Å; S225-F237 WeakPolarHBondContact OG-CD1 3.35Å
226	E	92.4	Very high	92.7	Very high	84 Å²	84	63.5 Å²	63.5	39%	0.393	33%	0.325	S	S	.	.			trans	-126.2	12.7	171.5	64.3	172.5	173.3	0	0	112.6	V178 R209	V178-E226 HydrophobicContact CG2-CB 4.05Å; R209-E226 IonicContact NH1-OE1 2.7Å; R209-E226 PolarHBondContact NH1-OE1 2.76Å
227	R	90.6	Very high	93.5	Very high	178 Å²	178	61.5 Å²	61.5	67%	0.672	32%	0.318	S	S	*	.			trans	-71.3	-42.7	-167.7	-63.2	-174.7	-178.8	-152.1	0.6	113	S225 N234	S225-R227 PolarHBondContact OG-N 3.23Å; R227-N234 PolarHBondContact N-OD1 3.26Å
228	C	93.4	Very high	94.1	Very high	34 Å²	34	55.3 Å²	55.3	23%	0.23	29%	0.285	C	S	.	.	S	Bend	trans	-90.9	152.3	-176.1	-57.3	0	0	0	0	111.4	T230 Q233 N234	C228-T230 VanDerWaalsContact C-N 3.3Å; C228-T230 PolarHBondContact O-N 2.81Å; C228-Q233 HydrophobicContact CB-CB 3.44Å; C228-Q233 VanDerWaalsContact CB-CB 3.44Å; C228-Q233 HydrophobicContact CB-CG 4.48Å; C228-N234 VanDerWaalsContact CB-OD1 3.3Å; C228-N234 WeakPolarHBondContact CB-OD1 3.31Å; C228-N234 PolarHBondContact N-OD1 3.36Å; C228-N234 PolarHBondContact O-ND2 2.7Å
229	P	95.2	Very high	94.5	Very high	112 Å²	112	56.6 Å²	56.6	73%	0.727	29%	0.289	S	S	*	.	S	Bend	trans	-63.5	-31.5	178.7	-24.6	34.5	0	0	0	114.5
230	T	95.1	Very high	94.9	Very high	65 Å²	65	62.6 Å²	62.6	40%	0.399	31%	0.312	S	S	.	.	S	Bend	trans	-107.1	144.6	-177.1	67.3	0	0	0	0	111.6	C228 K232 Q233 N234	C228-T230 VanDerWaalsContact C-N 3.3Å; C228-T230 PolarHBondContact O-N 2.81Å; T230-K232 VanDerWaalsContact C-N 3.28Å; T230-K232 PolarHBondContact O-N 2.67Å; T230-Q233 PolarHBondContact O-N 2.96Å; T230-Q233 WeakPolarHBondContact OG1-CB 3.23Å; T230-Q233 WeakPolarHBondContact OG1-CG 3.35Å; T230-Q233 PolarHBondContact OG1-N 3.17Å; T230-Q233 PolarHBondContact OG1-OE1 3.24Å; T230-N234 PolarHBondContact O-N 3.05Å; T230-N234 VanDerWaalsContact O-N 3.15Å; T230-N234 PolarHBondContact O-ND2 3.26Å
231	S	95.4	Very high	95	Very high	50 Å²	50	62.1 Å²	62.1	35%	0.35	31%	0.309	S	S	.	.	H	α-helix	trans	-60.6	-38	175.9	54.2	0	0	0	0	112	V179 Q233 N234 S235	V179-S231 WeakPolarHBondContact CG2-O 3.45Å; S231-Q233 PolarHBondContact O-N 3.09Å; S231-N234 CarbonylContact O-C 3.54Å; S231-N234 PolarHBondContact O-N 2.91Å; S231-N234 VanDerWaalsContact O-N 3.12Å; S231-S235 PolarHBondContact O-N 2.72Å; S231-S235 PolarHBondContact O-OG 3.15Å
232	K	96.5	Very high	95.1	Very high	146 Å²	146	63 Å²	63	64%	0.635	31%	0.314	S	S	*	.	H	α-helix	trans	-57.4	-47.4	175.4	-177.2	177.9	177.2	-180	0	112.5	T230 N234 S235 D236	T230-K232 VanDerWaalsContact C-N 3.28Å; T230-K232 PolarHBondContact O-N 2.67Å; K232-N234 VanDerWaalsContact C-N 3.28Å; K232-N234 PolarHBondContact O-N 2.83Å; K232-S235 WeakPolarHBondContact CA-OG 3.47Å; K232-S235 PolarHBondContact O-N 3.27Å; K232-S235 PolarHBondContact O-OG 3.43Å; K232-D236 PolarHBondContact O-N 3.37Å
233	Q	97.2	Very high	95.2	Very high	93 Å²	93	62.9 Å²	62.9	44%	0.435	32%	0.318	S	S	.	.	H	α-helix	trans	-64.1	-37.3	176.8	-72.6	164.3	-26.3	0	0	111.6	C228 T230 S231 D236 F237	C228-Q233 HydrophobicContact CB-CB 3.44Å; C228-Q233 VanDerWaalsContact CB-CB 3.44Å; C228-Q233 HydrophobicContact CB-CG 4.48Å; T230-Q233 PolarHBondContact O-N 2.96Å; T230-Q233 WeakPolarHBondContact OG1-CB 3.23Å; T230-Q233 WeakPolarHBondContact OG1-CG 3.35Å; T230-Q233 PolarHBondContact OG1-N 3.17Å; T230-Q233 PolarHBondContact OG1-OE1 3.24Å; S231-Q233 PolarHBondContact O-N 3.09Å; Q233-D236 PolarHBondContact O-N 3.29Å; Q233-F237 VanDerWaalsContact O-CB 3.23Å; Q233-F237 WeakPolarHBondContact O-CB 3.34Å; Q233-F237 PolarHBondContact O-N 3.25Å
234	N	96.7	Very high	95.3	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-67.6	-37.3	175.6	-74.6	-40	0	0	0	112.3	R177 V179 S225 R227 C228 T230 S231 K232 L238	R177-N234 PolarHBondContact O-ND2 3.19Å; V179-N234 HydrophobicContact CB-CB 4.15Å; V179-N234 HydrophobicContact CG2-CB 3.82Å; S225-N234 PolarHBondContact OG-OD1 3.33Å; S225-N234 VanDerWaalsContact OG-OD1 3.04Å; R227-N234 PolarHBondContact N-OD1 3.26Å; C228-N234 VanDerWaalsContact CB-OD1 3.3Å; C228-N234 WeakPolarHBondContact CB-OD1 3.31Å; C228-N234 PolarHBondContact N-OD1 3.36Å; C228-N234 PolarHBondContact O-ND2 2.7Å; T230-N234 PolarHBondContact O-N 3.05Å; T230-N234 VanDerWaalsContact O-N 3.15Å; T230-N234 PolarHBondContact O-ND2 3.26Å; S231-N234 CarbonylContact O-C 3.54Å; S231-N234 PolarHBondContact O-N 2.91Å; S231-N234 VanDerWaalsContact O-N 3.12Å; K232-N234 VanDerWaalsContact C-N 3.28Å; K232-N234 PolarHBondContact O-N 2.83Å; N234-L238 WeakPolarHBondContact O-CB 3.45Å; N234-L238 VanDerWaalsContact O-CG 3.23Å; N234-L238 WeakPolarHBondContact O-CG 3.4Å; N234-L238 PolarHBondContact O-N 3.17Å
235	S	96.8	Very high	95.3	Very high	20 Å²	20	63.4 Å²	63.4	14%	0.14	32%	0.32	C	S	.	.	H	α-helix	trans	-65.5	-44.9	174	58.5	0	0	0	0	111.7	S231 K232 F237 L238 I239	S231-S235 PolarHBondContact O-N 2.72Å; S231-S235 PolarHBondContact O-OG 3.15Å; K232-S235 WeakPolarHBondContact CA-OG 3.47Å; K232-S235 PolarHBondContact O-N 3.27Å; K232-S235 PolarHBondContact O-OG 3.43Å; S235-F237 VanDerWaalsContact C-N 3.31Å; S235-F237 PolarHBondContact O-N 2.71Å; S235-L238 PolarHBondContact O-N 3.45Å; S235-I239 WeakPolarHBondContact O-CG1 3.42Å; S235-I239 PolarHBondContact O-N 3.02Å
236	D	97.6	Very high	95.4	Very high	82 Å²	82	64.4 Å²	64.4	44%	0.439	33%	0.326	S	S	.	.	H	α-helix	trans	-62.9	-41.4	178.5	-62.1	-14.8	0	0	0	110.6	K232 Q233 I239 Y240	K232-D236 PolarHBondContact O-N 3.37Å; Q233-D236 PolarHBondContact O-N 3.29Å; D236-I239 PolarHBondContact O-N 3.41Å; D236-Y240 WeakPolarHBondContact O-CB 3.3Å; D236-Y240 PolarHBondContact O-N 3.2Å
237	F	96.4	Very high	95.6	Very high	52 Å²	52	65.6 Å²	65.6	23%	0.228	33%	0.333	C	S	.	.	H	α-helix	trans	-62.8	-40.6	174.5	175.5	-104.2	0	0	0	112.7	S225 Q233 S235 Y240 L241	S225-F237 WeakPolarHBondContact OG-CD1 3.35Å; Q233-F237 VanDerWaalsContact O-CB 3.23Å; Q233-F237 WeakPolarHBondContact O-CB 3.34Å; Q233-F237 PolarHBondContact O-N 3.25Å; S235-F237 VanDerWaalsContact C-N 3.31Å; S235-F237 PolarHBondContact O-N 2.71Å; F237-Y240 HydrophobicContact CD2-CD1 4.4Å; F237-Y240 HydrophobicContact CE2-CD1 4.49Å; F237-Y240 WeakPolarHBondContact O-CB 3Å; F237-Y240 PolarHBondContact O-N 3.48Å; F237-L241 HydrophobicContact CE1-CD2 4.46Å; F237-L241 VanDerWaalsContact O-CB 3.31Å; F237-L241 WeakPolarHBondContact O-CB 3.5Å; F237-L241 PolarHBondContact O-N 3.3Å
238	L	96.1	Very high	95.8	Very high	1 Å²	1	60.2 Å²	60.2	1%	0.005	32%	0.316	C	S	.	.	H	α-helix	trans	-68	-38	177.9	-74.1	171.5	0	0	0	112.3	V179 L181 L223 N234 S235 L241 L242	V179-L238 HydrophobicContact CB-CD1 3.81Å; V179-L238 HydrophobicContact CG1-CD1 3.68Å; V179-L238 WeakPolarHBondContact O-CD1 3.36Å; L181-L238 HydrophobicContact CB-CB 4.18Å; L181-L238 HydrophobicContact CB-CD1 4.15Å; L181-L238 HydrophobicContact CD1-CB 4.12Å; L223-L238 HydrophobicContact CB-CD2 3.74Å; N234-L238 WeakPolarHBondContact O-CB 3.45Å; N234-L238 VanDerWaalsContact O-CG 3.23Å; N234-L238 WeakPolarHBondContact O-CG 3.4Å; N234-L238 PolarHBondContact O-N 3.17Å; S235-L238 PolarHBondContact O-N 3.45Å; L238-L241 HydrophobicContact CD2-CD2 4.48Å; L238-L241 PolarHBondContact O-N 2.93Å; L238-L242 WeakPolarHBondContact O-CB 3.26Å; L238-L242 PolarHBondContact O-N 2.94Å
239	I	96.5	Very high	95.8	Very high	79 Å²	79	58.6 Å²	58.6	41%	0.405	31%	0.305	S	S	.	.	H	α-helix	trans	-64.4	-44.4	173.7	-66.8	164.9	0	0	0	110.1	I159 L181 S235 D236 L241 L242 T243	I159-I239 HydrophobicContact CD1-CD1 4.46Å; L181-I239 HydrophobicContact CD1-CG1 4.3Å; S235-I239 WeakPolarHBondContact O-CG1 3.42Å; S235-I239 PolarHBondContact O-N 3.02Å; D236-I239 PolarHBondContact O-N 3.41Å; I239-L241 VanDerWaalsContact C-N 3.35Å; I239-L241 PolarHBondContact O-N 3.37Å; I239-L242 PolarHBondContact O-N 3.43Å; I239-T243 WeakPolarHBondContact O-CB 3.48Å; I239-T243 PolarHBondContact O-N 2.9Å; I239-T243 PolarHBondContact O-OG1 2.96Å
240	Y	96.9	Very high	95.7	Very high	145 Å²	145	59.4 Å²	59.4	57%	0.569	30%	0.297	S	S	*	.	H	α-helix	trans	-58.1	-47.9	173.2	166.5	-95.4	0	0	0	111.3	D236 F237 L242 T243 V244	D236-Y240 WeakPolarHBondContact O-CB 3.3Å; D236-Y240 PolarHBondContact O-N 3.2Å; F237-Y240 HydrophobicContact CD2-CD1 4.4Å; F237-Y240 HydrophobicContact CE2-CD1 4.49Å; F237-Y240 WeakPolarHBondContact O-CB 3Å; F237-Y240 PolarHBondContact O-N 3.48Å; Y240-L242 PolarHBondContact O-N 3.32Å; Y240-T243 WeakPolarHBondContact O-CB 3.18Å; Y240-T243 PolarHBondContact O-N 3.17Å; Y240-V244 HydrophobicContact CD1-CG2 4.38Å; Y240-V244 HydrophobicContact CD2-CG2 4.14Å; Y240-V244 HydrophobicContact CE1-CG2 3.91Å; Y240-V244 HydrophobicContact CE2-CG2 3.65Å; Y240-V244 HydrophobicContact CG-CG2 4.48Å; Y240-V244 WeakPolarHBondContact O-CG2 3.39Å; Y240-V244 PolarHBondContact O-N 3.46Å
241	L	94.8	Very high	95.7	Very high	43 Å²	43	60.8 Å²	60.8	23%	0.225	30%	0.297	C	S	.	.	H	α-helix	trans	-61	-46.9	-179.3	-177.8	65	0	0	0	111.6	L223 F237 L238 I239 T243 V244 L245	L223-L241 HydrophobicContact CD1-CD2 4.41Å; F237-L241 HydrophobicContact CE1-CD2 4.46Å; F237-L241 VanDerWaalsContact O-CB 3.31Å; F237-L241 WeakPolarHBondContact O-CB 3.5Å; F237-L241 PolarHBondContact O-N 3.3Å; L238-L241 HydrophobicContact CD2-CD2 4.48Å; L238-L241 PolarHBondContact O-N 2.93Å; I239-L241 VanDerWaalsContact C-N 3.35Å; I239-L241 PolarHBondContact O-N 3.37Å; L241-T243 VanDerWaalsContact C-N 3.31Å; L241-T243 PolarHBondContact O-N 2.82Å; L241-V244 PolarHBondContact O-N 3.47Å; L241-L245 HydrophobicContact CD1-CD1 4.35Å; L241-L245 HydrophobicContact CD1-CG 4.38Å; L241-L245 HydrophobicContact CG-CD1 4.01Å; L241-L245 HydrophobicContact CG-CG 4.46Å; L241-L245 WeakPolarHBondContact O-CB 3.27Å; L241-L245 VanDerWaalsContact O-CG 3.26Å; L241-L245 WeakPolarHBondContact O-CG 3.44Å; L241-L245 PolarHBondContact O-N 3.48Å
242	L	95	Very high	95.5	Very high	18 Å²	18	63.1 Å²	63.1	9%	0.094	31%	0.31	C	S	.	.	H	α-helix	trans	-57.8	-45.9	174.9	179.6	64.6	0	0	0	110.9	L181 I183 L188 L223 L238 I239 Y240 V244 L245 T246	L181-L242 HydrophobicContact CD1-CD2 4.3Å; L181-L242 HydrophobicContact CD2-CD2 4.01Å; I183-L242 HydrophobicContact CD1-CD2 4.01Å; I183-L242 HydrophobicContact CG2-CD1 4.15Å; L188-L242 HydrophobicContact CD1-CD1 4.41Å; L223-L242 HydrophobicContact CD1-CB 4.12Å; L223-L242 HydrophobicContact CD1-CD1 4.29Å; L238-L242 WeakPolarHBondContact O-CB 3.26Å; L238-L242 PolarHBondContact O-N 2.94Å; I239-L242 PolarHBondContact O-N 3.43Å; Y240-L242 PolarHBondContact O-N 3.32Å; L242-V244 PolarHBondContact O-N 3.26Å; L242-L245 PolarHBondContact O-N 2.96Å; L242-T246 HydrophobicContact CD1-CG2 4.21Å; L242-T246 HydrophobicContact CG-CG2 4.5Å; L242-T246 VanDerWaalsContact O-CG2 3.26Å; L242-T246 WeakPolarHBondContact O-CG2 3.45Å; L242-T246 PolarHBondContact O-N 3.25Å; L242-T246 PolarHBondContact O-OG1 2.9Å
243	T	96	Very high	95.2	Very high	64 Å²	64	59.9 Å²	59.9	39%	0.393	30%	0.297	S	S	.	.	H	α-helix	trans	-57.7	-51.8	177.8	-54.3	0	0	0	0	111	I239 Y240 L241 L245 T246 M247	I239-T243 WeakPolarHBondContact O-CB 3.48Å; I239-T243 PolarHBondContact O-N 2.9Å; I239-T243 PolarHBondContact O-OG1 2.96Å; Y240-T243 WeakPolarHBondContact O-CB 3.18Å; Y240-T243 PolarHBondContact O-N 3.17Å; L241-T243 VanDerWaalsContact C-N 3.31Å; L241-T243 PolarHBondContact O-N 2.82Å; T243-L245 PolarHBondContact O-N 2.94Å; T243-T246 PolarHBondContact O-N 3.45Å; T243-T246 PolarHBondContact O-OG1 3.43Å; T243-M247 HydrophobicContact CG2-SD 3.98Å; T243-M247 WeakPolarHBondContact O-CG 3.31Å; T243-M247 PolarHBondContact O-N 2.8Å
244	V	96	Very high	94.9	Very high	47 Å²	47	63.7 Å²	63.7	29%	0.285	31%	0.312	S	S	.	.	H	α-helix	trans	-60.6	-46.5	179	172.8	0	0	0	0	111.2	Y240 L241 L242 T246 M247 E248	Y240-V244 HydrophobicContact CD1-CG2 4.38Å; Y240-V244 HydrophobicContact CD2-CG2 4.14Å; Y240-V244 HydrophobicContact CE1-CG2 3.91Å; Y240-V244 HydrophobicContact CE2-CG2 3.65Å; Y240-V244 HydrophobicContact CG-CG2 4.48Å; Y240-V244 WeakPolarHBondContact O-CG2 3.39Å; Y240-V244 PolarHBondContact O-N 3.46Å; L241-V244 PolarHBondContact O-N 3.47Å; L242-V244 PolarHBondContact O-N 3.26Å; V244-T246 VanDerWaalsContact C-N 3.32Å; V244-T246 PolarHBondContact O-N 3.03Å; V244-M247 PolarHBondContact O-N 2.96Å; V244-E248 HydrophobicContact CG1-CG 3.97Å; V244-E248 WeakPolarHBondContact O-CB 3.11Å; V244-E248 WeakPolarHBondContact O-CG 3.49Å; V244-E248 PolarHBondContact O-N 2.75Å
245	L	94.3	Very high	94.3	Very high	15 Å²	15	71.5 Å²	71.5	8%	0.079	34%	0.341	C	S	.	.	H	α-helix	trans	-58.5	-43.8	178.6	-75.7	171.9	0	0	0	112	L198 L201 A202 L223 L241 L242 T243 S249	L198-L245 HydrophobicContact CD1-CB 4.44Å; L198-L245 HydrophobicContact CG-CB 4.34Å; L201-L245 HydrophobicContact CB-CD2 3.67Å; A202-L245 HydrophobicContact CB-CD1 4.22Å; L223-L245 HydrophobicContact CD1-CD1 4.22Å; L223-L245 HydrophobicContact CD2-CD1 4.25Å; L241-L245 HydrophobicContact CD1-CD1 4.35Å; L241-L245 HydrophobicContact CD1-CG 4.38Å; L241-L245 HydrophobicContact CG-CD1 4.01Å; L241-L245 HydrophobicContact CG-CG 4.46Å; L241-L245 WeakPolarHBondContact O-CB 3.27Å; L241-L245 VanDerWaalsContact O-CG 3.26Å; L241-L245 WeakPolarHBondContact O-CG 3.44Å; L241-L245 PolarHBondContact O-N 3.48Å; L242-L245 PolarHBondContact O-N 2.96Å; T243-L245 PolarHBondContact O-N 2.94Å; L245-S249 WeakPolarHBondContact O-CB 3.32Å; L245-S249 PolarHBondContact O-N 3.4Å; L245-S249 PolarHBondContact O-OG 3.39Å
246	T	94.8	Very high	93.7	Very high	24 Å²	24	72.7 Å²	72.7	15%	0.147	35%	0.345	C	S	.	.	H	α-helix	trans	-69.5	-33.1	178.4	60.6	0	0	0	0	113.5	L188 L198 L242 T243 V244 S249 K250	L188-T246 HydrophobicContact CD1-CG2 4.05Å; L188-T246 HydrophobicContact CD2-CG2 3.98Å; L198-T246 HydrophobicContact CD1-CG2 3.94Å; L242-T246 HydrophobicContact CD1-CG2 4.21Å; L242-T246 HydrophobicContact CG-CG2 4.5Å; L242-T246 VanDerWaalsContact O-CG2 3.26Å; L242-T246 WeakPolarHBondContact O-CG2 3.45Å; L242-T246 PolarHBondContact O-N 3.25Å; L242-T246 PolarHBondContact O-OG1 2.9Å; T243-T246 PolarHBondContact O-N 3.45Å; T243-T246 PolarHBondContact O-OG1 3.43Å; V244-T246 VanDerWaalsContact C-N 3.32Å; V244-T246 PolarHBondContact O-N 3.03Å; T246-S249 PolarHBondContact O-OG 2.71Å; T246-K250 WeakPolarHBondContact O-CG 3.37Å
247	M	96	Very high	92.8	Very high	109 Å²	109	74.7 Å²	74.7	54%	0.537	35%	0.354	S	S	.	.	H	α-helix	trans	-75.6	-45.7	177.3	-71.5	-179.7	68.1	0	0	111.6	T243 V244 S249 K250	T243-M247 HydrophobicContact CG2-SD 3.98Å; T243-M247 WeakPolarHBondContact O-CG 3.31Å; T243-M247 PolarHBondContact O-N 2.8Å; V244-M247 PolarHBondContact O-N 2.96Å; M247-S249 VanDerWaalsContact C-N 3.3Å; M247-S249 PolarHBondContact O-N 3.4Å; M247-K250 PolarHBondContact O-N 2.93Å
248	E	94.9	Very high	91.6	Very high	66 Å²	66	77.7 Å²	77.7	31%	0.308	37%	0.372	S	S	.	.	H	α-helix	trans	-67.2	-32.7	178.7	-70.7	-55.7	137.4	0	0	112	K197 L201 V244 K250 K251	K197-E248 WeakPolarHBondContact CE-O 3.2Å; K197-E248 PolarHBondContact NZ-O 3.49Å; L201-E248 HydrophobicContact CD1-CB 4.16Å; V244-E248 HydrophobicContact CG1-CG 3.97Å; V244-E248 WeakPolarHBondContact O-CB 3.11Å; V244-E248 WeakPolarHBondContact O-CG 3.49Å; V244-E248 PolarHBondContact O-N 2.75Å; E248-K250 VanDerWaalsContact C-N 3.29Å; E248-K250 PolarHBondContact O-N 3.46Å; E248-K251 PolarHBondContact O-N 2.99Å; E248-K251 IonicContact OE1-NZ 3.9Å; E248-K251 PolarHBondContact OE1-NZ 3.19Å; E248-K251 IonicContact OE2-NZ 2.74Å
249	S	93.6	Very high	90	Very high	0 Å²	0	82.8 Å²	82.8	0%	0	40%	0.4	C	S	.	.	H	α-helix	trans	-68.7	-27.8	177.4	72.6	0	0	0	0	113.7	A194 L245 T246 M247	A194-S249 VanDerWaalsContact CA-O 3.32Å; A194-S249 WeakPolarHBondContact CA-O 3.42Å; A194-S249 WeakPolarHBondContact CB-O 3.16Å; A194-S249 VanDerWaalsContact O-CB 3.22Å; A194-S249 WeakPolarHBondContact O-CB 3.5Å; A194-S249 PolarHBondContact O-OG 3.49Å; L245-S249 WeakPolarHBondContact O-CB 3.32Å; L245-S249 PolarHBondContact O-N 3.4Å; L245-S249 PolarHBondContact O-OG 3.39Å; T246-S249 PolarHBondContact O-OG 2.71Å; M247-S249 VanDerWaalsContact C-N 3.3Å; M247-S249 PolarHBondContact O-N 3.4Å
250	K	94.2	Very high	88.3	Confident	129 Å²	129	81 Å²	81	56%	0.561	39%	0.393	S	S	*	.	H	α-helix	trans	-77.3	-19.5	176.7	-71.7	177.4	-179.4	-173.5	0	113.7	L190 A194 T246 M247 E248	L190-K250 HydrophobicContact CD2-CG 4.32Å; A194-K250 HydrophobicContact CB-CG 4.3Å; T246-K250 WeakPolarHBondContact O-CG 3.37Å; M247-K250 PolarHBondContact O-N 2.93Å; E248-K250 VanDerWaalsContact C-N 3.29Å; E248-K250 PolarHBondContact O-N 3.46Å
251	K	94.3	Very high	86.2	Confident	93 Å²	93	78.4 Å²	78.4	40%	0.404	39%	0.386	S	S	.	.			trans	-79.9	138	177.6	-63.9	174.4	-173.6	171.1	0	109.3	K197 E248	K197-K251 PolarHBondContact NZ-O 3.19Å; E248-K251 PolarHBondContact O-N 2.99Å; E248-K251 IonicContact OE1-NZ 3.9Å; E248-K251 PolarHBondContact OE1-NZ 3.19Å; E248-K251 IonicContact OE2-NZ 2.74Å
252	T	90.8	Very high	84.2	Confident	100 Å²	100	84.9 Å²	84.9	61%	0.613	41%	0.409	S	S	*	.			trans	-104.6	117.1	170.3	44.3	0	0	0	0	109	H193	H193-T252 VanDerWaalsContact CE1-CG2 3.43Å; H193-T252 WeakPolarHBondContact CE1-CG2 3.47Å
253	E	90.4	Very high	82.5	Confident	78 Å²	78	87.4 Å²	87.4	36%	0.364	42%	0.422	S	S	.	.			trans	-90.2	157.2	179.3	-68.5	-65.6	158.4	0	0	112	W255 E256	E253-W255 VanDerWaalsContact C-N 3.28Å; E253-W255 HydrophobicContact CB-CD2 4.26Å; E253-W255 HydrophobicContact CB-CG 4.19Å; E253-W255 HydrophobicContact CB-CZ2 4.17Å; E253-W255 HydrophobicContact CG-CZ2 4.32Å; E253-W255 PolarHBondContact O-N 2.96Å; E253-E256 HydrophobicContact CB-CG 4.25Å; E253-E256 PolarHBondContact N-OE1 2.79Å; E253-E256 WeakPolarHBondContact O-CB 3.32Å; E253-E256 PolarHBondContact O-N 2.86Å; E253-E256 VanDerWaalsContact O-N 3.09Å
254	K	91.1	Very high	80.6	Confident	172 Å²	172	90.9 Å²	90.9	75%	0.748	43%	0.429	S	S	*	.	H	α-helix	trans	-58.2	-40	-179	-63.8	-177.9	-179	-179.8	0	112.6	E256 I257 D258	K254-E256 PolarHBondContact O-N 2.83Å; K254-I257 WeakPolarHBondContact O-CB 3.32Å; K254-I257 PolarHBondContact O-N 3.29Å; K254-D258 PolarHBondContact O-N 3.07Å
255	W	84.6	Confident	78.8	Confident	165 Å²	165	89.1 Å²	89.1	63%	0.625	42%	0.419	S	S	*	.	H	α-helix	trans	-67.7	-18.5	-179.4	59.4	-98.5	0	0	0	113.7	E253 I257	E253-W255 VanDerWaalsContact C-N 3.28Å; E253-W255 HydrophobicContact CB-CD2 4.26Å; E253-W255 HydrophobicContact CB-CG 4.19Å; E253-W255 HydrophobicContact CB-CZ2 4.17Å; E253-W255 HydrophobicContact CG-CZ2 4.32Å; E253-W255 PolarHBondContact O-N 2.96Å; W255-I257 VanDerWaalsContact C-N 3.26Å
256	E	82.7	Confident	77.4	Confident	44 Å²	44	92.1 Å²	92.1	21%	0.206	43%	0.432	C	S	.	.	H	α-helix	trans	-73.8	-22.8	174	-63.7	173.7	-149.9	0	0	111.8	H193 K197 E253 K254	H193-E256 IonicContact CD2-OE2 3.86Å; H193-E256 IonicContact CE1-OE2 3.14Å; H193-E256 PolarHBondContact CE1-OE2 2.77Å; H193-E256 IonicContact NE2-OE2 3.94Å; H193-E256 PolarHBondContact NE2-OE2 2.96Å; K197-E256 VanDerWaalsContact CE-OE1 3.29Å; K197-E256 WeakPolarHBondContact CE-OE1 3.46Å; K197-E256 IonicContact NZ-OE1 3.62Å; K197-E256 PolarHBondContact NZ-OE1 3.48Å; E253-E256 HydrophobicContact CB-CG 4.25Å; E253-E256 PolarHBondContact N-OE1 2.79Å; E253-E256 WeakPolarHBondContact O-CB 3.32Å; E253-E256 PolarHBondContact O-N 2.86Å; E253-E256 VanDerWaalsContact O-N 3.09Å; K254-E256 PolarHBondContact O-N 2.83Å
257	I	80.1	Confident	76.2	Confident	124 Å²	124	92.6 Å²	92.6	64%	0.636	43%	0.432	S	S	*	.	H	α-helix	trans	-85.3	-40.1	-178.8	-55.2	172.1	0	0	0	110.3	K254 W255 N259	K254-I257 WeakPolarHBondContact O-CB 3.32Å; K254-I257 PolarHBondContact O-N 3.29Å; W255-I257 VanDerWaalsContact C-N 3.26Å; I257-N259 PolarHBondContact O-N 2.93Å
258	D	70.4	Confident	75.3	Confident	115 Å²	115	89.8 Å²	89.8	62%	0.615	42%	0.42	S	S	*	.	H	α-helix	trans	-69.1	-28.2	-166.9	-65.9	-27.1	0	0	0	113.9	K254	K254-D258 PolarHBondContact O-N 3.07Å
259	N	63.4	Low	74.6	Confident	108 Å²	108	86.9 Å²	86.9	58%	0.578	41%	0.406	S	S	*	.			trans	-135.4	73.1	-172.6	-67	-52.9	0	0	0	113.6	I257 E261	I257-N259 PolarHBondContact O-N 2.93Å; N259-E261 PolarHBondContact O-N 2.82Å
260	P	60.5	Low	74	Confident	42 Å²	42	90.7 Å²	90.7	27%	0.273	43%	0.426	S	S	.	.	G	3₁₀ helix	trans	-66.1	-21.3	178.7	27.7	-34.9	0	0	0	113.5	Y262 D263 K271	P260-Y262 PolarHBondContact O-N 2.99Å; P260-D263 PolarHBondContact O-N 3.47Å; P260-K271 HydrophobicContact CB-CB 4Å; P260-K271 HydrophobicContact CB-CD 3.55Å; P260-K271 HydrophobicContact CB-CG 4.39Å; P260-K271 HydrophobicContact CG-CB 4.02Å; P260-K271 HydrophobicContact CG-CD 4Å
261	E	51.9	Low	73.1	Confident	90 Å²	90	89.4 Å²	89.4	42%	0.421	42%	0.421	S	S	.	.	G	3₁₀ helix	trans	-75.5	-21	-173.3	-69.7	173	-164	0	0	114.2	N259 D263 E273 R276	N259-E261 PolarHBondContact O-N 2.82Å; E261-D263 PolarHBondContact O-N 2.82Å; E261-E273 VanDerWaalsContact CD-CG 3.46Å; E261-E273 HydrophobicContact CG-CG 4.39Å; E261-E273 WeakPolarHBondContact OE1-CG 3.12Å; E261-R276 IonicContact OE1-NH1 3.92Å
262	Y	54	Low	72.4	Confident	180 Å²	180	85.6 Å²	85.6	71%	0.706	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-76.9	-9.4	175.7	-96.9	-81.7	0	0	0	113.3	P260 W264	P260-Y262 PolarHBondContact O-N 2.99Å; Y262-W264 VanDerWaalsContact C-N 3.35Å; Y262-W264 PolarHBondContact O-N 3.31Å; Y262-W264 VanDerWaalsContact O-N 3.12Å
263	D	57.7	Low	71.9	Confident	70 Å²	70	84.8 Å²	84.8	37%	0.374	40%	0.395	S	S	.	.			trans	-88.8	68.8	-177.5	-109.2	9.1	0	0	0	111.7	R200 P260 E261 A265 Q266	R200-D263 IonicContact CZ-OD1 3.29Å; R200-D263 IonicContact CZ-OD2 2.8Å; R200-D263 IonicContact NE-OD1 3.89Å; R200-D263 IonicContact NH1-OD1 3.62Å; R200-D263 PolarHBondContact NH1-OD1 3.09Å; R200-D263 IonicContact NH1-OD2 3.6Å; R200-D263 PolarHBondContact NH1-OD2 3.45Å; R200-D263 IonicContact NH2-OD1 3.7Å; R200-D263 PolarHBondContact NH2-OD1 2.93Å; R200-D263 VanDerWaalsContact NH2-OD1 3.1Å; R200-D263 IonicContact NH2-OD2 2.67Å; R200-D263 PolarHBondContact NH2-OD2 3.14Å; P260-D263 PolarHBondContact O-N 3.47Å; E261-D263 PolarHBondContact O-N 2.82Å; D263-A265 PolarHBondContact O-N 3.42Å; D263-Q266 PolarHBondContact O-N 2.81Å
264	W	56.3	Low	71.5	Confident	138 Å²	138	83 Å²	83	52%	0.523	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-9.3	179	-58.3	-32.1	0	0	0	114.9	Y262 W322 V356	Y262-W264 VanDerWaalsContact C-N 3.35Å; Y262-W264 PolarHBondContact O-N 3.31Å; Y262-W264 VanDerWaalsContact O-N 3.12Å; W264-W322 HydrophobicContact CB-CZ3 4.3Å; W264-W322 VanDerWaalsContact O-CZ3 3.23Å; W264-W322 WeakPolarHBondContact O-CZ3 3.3Å; W264-V356 HydrophobicContact CE3-CG2 4.21Å; W264-V356 HydrophobicContact CH2-CG2 4.04Å; W264-V356 HydrophobicContact CZ3-CG2 3.72Å
265	A	59	Low	71.3	Confident	9 Å²	9	77.6 Å²	77.6	7%	0.074	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-17.2	179.8	0	0	0	0	0	113.8	D263 N325 D326 I327	D263-A265 PolarHBondContact O-N 3.42Å; A265-N325 CarbonylContact C-O 3.53Å; A265-N325 WeakPolarHBondContact CA-O 3.36Å; A265-D326 VanDerWaalsContact O-CA 3.32Å; A265-D326 WeakPolarHBondContact O-CA 3.39Å; A265-I327 HydrophobicContact CB-CD1 3.29Å; A265-I327 HydrophobicContact CB-CG1 3.57Å
266	Q	64.2	Low	71.3	Confident	78 Å²	78	76.6 Å²	76.6	36%	0.364	36%	0.36	S	S	.	.			trans	-143.4	121.3	176	-173.3	-173.4	11.3	0	0	109.7	E192 R196 D263 D268	E192-Q266 PolarHBondContact OE1-NE2 2.97Å; R196-Q266 VanDerWaalsContact CZ-CD 3.41Å; R196-Q266 VanDerWaalsContact NH1-NE2 3.17Å; D263-Q266 PolarHBondContact O-N 2.81Å; Q266-D268 PolarHBondContact O-N 3.22Å; Q266-D268 VanDerWaalsContact O-N 3.1Å
267	F	70.6	Confident	71.4	Confident	34 Å²	34	81.5 Å²	81.5	15%	0.149	38%	0.377	C	S	.	.			trans	-76.5	100.1	168.4	-178	-108.3	0	0	0	110.3	W269 L318 K319 W322	F267-W269 HydrophobicContact CE1-CB 4.2Å; F267-W269 AromaticContact CE1-CE3 3.77Å; F267-W269 HydrophobicContact CE1-CE3 3.77Å; F267-W269 AromaticContact CZ-CE3 3.67Å; F267-W269 HydrophobicContact CZ-CE3 3.67Å; F267-W269 HydrophobicContact CZ-CZ3 4.27Å; F267-L318 HydrophobicContact CE1-CB 3.9Å; F267-L318 HydrophobicContact CE1-CD1 4.3Å; F267-L318 HydrophobicContact CZ-CB 4.17Å; F267-L318 HydrophobicContact CZ-CD1 3.82Å; F267-K319 HydrophobicContact CD1-CG 4.2Å; F267-W322 HydrophobicContact CB-CB 3.4Å; F267-W322 HydrophobicContact CB-CD2 3.71Å; F267-W322 HydrophobicContact CB-CE3 4.19Å; F267-W322 HydrophobicContact CB-CG 3.36Å; F267-W322 AromaticContact CD2-CD1 3.77Å; F267-W322 HydrophobicContact CD2-CD2 4.15Å; F267-W322 AromaticContact CD2-CE2 3.87Å; F267-W322 HydrophobicContact CD2-CG 4.1Å; F267-W322 HydrophobicContact CD2-CZ2 4.47Å; F267-W322 AromaticContact CD2-NE1 3.64Å; F267-W322 HydrophobicContact CG-CB 4.14Å; F267-W322 AromaticContact CG-CD1 3.66Å; F267-W322 HydrophobicContact CG-CD2 4.2Å; F267-W322 AromaticContact CG-CG 3.77Å; F267-W322 HydrophobicContact CG-CG 3.77Å
268	D	75.8	Confident	71.7	Confident	50 Å²	50	76.3 Å²	76.3	27%	0.267	35%	0.35	S	S	.	.			trans	-87.6	106.6	168.3	-170.2	-8.2	0	0	0	109.6	Q266 D270 K271 S272	Q266-D268 PolarHBondContact O-N 3.22Å; Q266-D268 VanDerWaalsContact O-N 3.1Å; D268-D270 PolarHBondContact O-N 2.96Å; D268-D270 PolarHBondContact OD1-N 3.2Å; D268-D270 VanDerWaalsContact OD1-N 3.11Å; D268-K271 HydrophobicContact CB-CB 4.36Å; D268-K271 PolarHBondContact O-N 3.27Å; D268-K271 WeakPolarHBondContact OD2-CD 3.23Å; D268-K271 WeakPolarHBondContact OD2-CE 3.39Å; D268-K271 WeakPolarHBondContact OD2-CG 3.28Å; D268-K271 IonicContact OD2-NZ 3.05Å; D268-S272 WeakPolarHBondContact O-CB 3.4Å; D268-S272 PolarHBondContact O-N 2.59Å; D268-S272 VanDerWaalsContact O-N 3.14Å
269	W	80.7	Confident	72.4	Confident	6 Å²	6	72.8 Å²	72.8	2%	0.023	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-38.2	179.4	174.6	-104.4	0	0	0	111.7	F267 K271 S272 R275 L278 F305 I311 Y314 R315 L318	F267-W269 HydrophobicContact CE1-CB 4.2Å; F267-W269 AromaticContact CE1-CE3 3.77Å; F267-W269 HydrophobicContact CE1-CE3 3.77Å; F267-W269 AromaticContact CZ-CE3 3.67Å; F267-W269 HydrophobicContact CZ-CE3 3.67Å; F267-W269 HydrophobicContact CZ-CZ3 4.27Å; W269-K271 VanDerWaalsContact C-N 3.29Å; W269-K271 PolarHBondContact O-N 2.56Å; W269-S272 WeakPolarHBondContact O-CB 3.37Å; W269-S272 PolarHBondContact O-N 2.8Å; W269-S272 PolarHBondContact O-OG 3.23Å; W269-R275 HydrophobicContact CD2-CB 4.4Å; W269-R275 HydrophobicContact CZ2-CB 4.22Å; W269-R275 HydrophobicContact CZ2-CG 4.33Å; W269-R275 WeakPolarHBondContact O-CB 3.45Å; W269-R275 WeakPolarHBondContact O-CD 3.38Å; W269-L278 HydrophobicContact CH2-CD1 3.8Å; W269-F305 HydrophobicContact CZ2-CE1 4.39Å; W269-F305 HydrophobicContact CZ2-CZ 4.42Å; W269-I311 HydrophobicContact CH2-CG2 4.42Å; W269-I311 HydrophobicContact CZ2-CG2 3.84Å; W269-Y314 AromaticContact CH2-CD1 3.89Å; W269-Y314 HydrophobicContact CH2-CD1 3.89Å; W269-Y314 HydrophobicContact CH2-CE1 4.19Å; W269-Y314 HydrophobicContact CZ3-CD1 4.09Å; W269-Y314 HydrophobicContact CZ3-CE1 4.12Å; W269-R315 HydrophobicContact CB-CG 4.43Å; W269-R315 VanDerWaalsContact CD1-NE 3.31Å; W269-R315 HydrophobicContact CD2-CB 4.24Å; W269-R315 HydrophobicContact CD2-CG 3.75Å; W269-R315 HydrophobicContact CE3-CB 4.32Å; W269-R315 HydrophobicContact CE3-CG 4.08Å; W269-R315 HydrophobicContact CG-CG 3.9Å; W269-R315 HydrophobicContact CH2-CB 4.44Å; W269-R315 HydrophobicContact CZ2-CB 4.36Å; W269-R315 HydrophobicContact CZ3-CB 4.44Å; W269-L318 HydrophobicContact CE3-CD1 4.44Å; W269-L318 HydrophobicContact CZ3-CD1 3.83Å
270	D	80.6	Confident	73.5	Confident	79 Å²	79	72 Å²	72	42%	0.422	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-30.3	-168.8	-61	-22.4	0	0	0	111.1	D268 R275 R315	D268-D270 PolarHBondContact O-N 2.96Å; D268-D270 PolarHBondContact OD1-N 3.2Å; D268-D270 VanDerWaalsContact OD1-N 3.11Å; D270-R275 PolarHBondContact O-NH1 2.82Å; D270-R315 IonicContact OD1-NH2 2.81Å
271	K	76.3	Confident	74.6	Confident	103 Å²	103	74.7 Å²	74.7	45%	0.448	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-4.9	176.7	-59.9	-178	-167.4	169.3	0	114	P260 D268 W269	P260-K271 HydrophobicContact CB-CB 4Å; P260-K271 HydrophobicContact CB-CD 3.55Å; P260-K271 HydrophobicContact CB-CG 4.39Å; P260-K271 HydrophobicContact CG-CB 4.02Å; P260-K271 HydrophobicContact CG-CD 4Å; D268-K271 HydrophobicContact CB-CB 4.36Å; D268-K271 PolarHBondContact O-N 3.27Å; D268-K271 WeakPolarHBondContact OD2-CD 3.23Å; D268-K271 WeakPolarHBondContact OD2-CE 3.39Å; D268-K271 WeakPolarHBondContact OD2-CG 3.28Å; D268-K271 IonicContact OD2-NZ 3.05Å; W269-K271 VanDerWaalsContact C-N 3.29Å; W269-K271 PolarHBondContact O-N 2.56Å
272	S	79.2	Confident	75.9	Confident	12 Å²	12	72.3 Å²	72.3	8%	0.084	33%	0.327	C	S	.	.			trans	-68.3	142.2	-173.1	68	0	0	0	0	113.7	D268 W269 T274 R275 R276	D268-S272 WeakPolarHBondContact O-CB 3.4Å; D268-S272 PolarHBondContact O-N 2.59Å; D268-S272 VanDerWaalsContact O-N 3.14Å; W269-S272 WeakPolarHBondContact O-CB 3.37Å; W269-S272 PolarHBondContact O-N 2.8Å; W269-S272 PolarHBondContact O-OG 3.23Å; S272-T274 PolarHBondContact O-N 3.2Å; S272-T274 PolarHBondContact OG-OG1 2.87Å; S272-R275 PolarHBondContact O-N 3.21Å; S272-R275 VanDerWaalsContact OG-CB 3.25Å; S272-R275 WeakPolarHBondContact OG-CB 3.46Å; S272-R275 PolarHBondContact OG-N 3.43Å; S272-R275 VanDerWaalsContact OG-N 3.15Å; S272-R276 PolarHBondContact O-N 3.3Å
273	E	80.4	Confident	77	Confident	83 Å²	83	65.1 Å²	65.1	39%	0.388	30%	0.303	S	S	.	.	H	α-helix	trans	-59.1	-33.8	169	-67.2	-163.6	134.1	0	0	112	E261 R276 R277	E261-E273 VanDerWaalsContact CD-CG 3.46Å; E261-E273 HydrophobicContact CG-CG 4.39Å; E261-E273 WeakPolarHBondContact OE1-CG 3.12Å; E273-R276 PolarHBondContact O-N 3.28Å; E273-R277 WeakPolarHBondContact O-CB 3.19Å; E273-R277 WeakPolarHBondContact O-CG 3.36Å; E273-R277 PolarHBondContact O-N 3.34Å; E273-R277 IonicContact OE1-NH2 3.9Å; E273-R277 IonicContact OE2-CZ 2.81Å; E273-R277 IonicContact OE2-NH2 3.78Å; E273-R277 PolarHBondContact OE2-NH2 3.07Å
274	T	82.9	Confident	77.9	Confident	41 Å²	41	66.9 Å²	66.9	25%	0.252	31%	0.312	S	S	.	.	H	α-helix	trans	-64.6	-43.3	-179.7	50.2	0	0	0	0	111.1	S272 R277 L278	S272-T274 PolarHBondContact O-N 3.2Å; S272-T274 PolarHBondContact OG-OG1 2.87Å; T274-R277 PolarHBondContact O-N 3.39Å; T274-L278 WeakPolarHBondContact O-CB 3.38Å; T274-L278 VanDerWaalsContact O-CG 3.28Å; T274-L278 WeakPolarHBondContact O-CG 3.48Å; T274-L278 PolarHBondContact O-N 3.4Å
275	R	85.6	Confident	78.6	Confident	59 Å²	59	67.7 Å²	67.7	22%	0.223	32%	0.315	C	S	.	.	H	α-helix	trans	-59.2	-47.1	171.7	-179	-178.8	178.8	-113.5	2.9	111.1	W269 D270 S272 R277 L278 F279 F305 E306	W269-R275 HydrophobicContact CD2-CB 4.4Å; W269-R275 HydrophobicContact CZ2-CB 4.22Å; W269-R275 HydrophobicContact CZ2-CG 4.33Å; W269-R275 WeakPolarHBondContact O-CB 3.45Å; W269-R275 WeakPolarHBondContact O-CD 3.38Å; D270-R275 PolarHBondContact O-NH1 2.82Å; S272-R275 PolarHBondContact O-N 3.21Å; S272-R275 VanDerWaalsContact OG-CB 3.25Å; S272-R275 WeakPolarHBondContact OG-CB 3.46Å; S272-R275 PolarHBondContact OG-N 3.43Å; S272-R275 VanDerWaalsContact OG-N 3.15Å; R275-R277 PolarHBondContact O-N 2.9Å; R275-L278 PolarHBondContact O-N 3.19Å; R275-F279 VanDerWaalsContact O-CB 3.24Å; R275-F279 WeakPolarHBondContact O-CB 3.02Å; R275-F279 PolarHBondContact O-N 2.83Å; R275-F305 HydrophobicContact CG-CE1 4.03Å; R275-F305 HydrophobicContact CG-CZ 4.2Å; R275-E306 IonicContact NH2-OE1 3.75Å; R275-E306 PolarHBondContact NH2-OE1 2.96Å
276	R	84.6	Confident	78.9	Confident	144 Å²	144	68.9 Å²	68.9	54%	0.543	32%	0.32	S	S	.	.	H	α-helix	trans	-59.2	-45.4	177	-70.4	178.8	175.9	157.7	-2.6	112.1	E261 S272 E273 F279 N280	E261-R276 IonicContact OE1-NH1 3.92Å; S272-R276 PolarHBondContact O-N 3.3Å; E273-R276 PolarHBondContact O-N 3.28Å; R276-F279 PolarHBondContact O-N 3.45Å; R276-N280 WeakPolarHBondContact O-CB 3.1Å; R276-N280 PolarHBondContact O-N 3.12Å; R276-N280 PolarHBondContact O-ND2 2.9Å; R276-N280 PolarHBondContact O-OD1 3.44Å
277	R	85.6	Confident	78.8	Confident	146 Å²	146	69.4 Å²	69.4	55%	0.551	33%	0.325	S	S	*	.	H	α-helix	trans	-63.9	-45.9	177.4	-73.4	179.1	-171	157.9	14.7	111.8	E273 T274 R275 N280 L281	E273-R277 WeakPolarHBondContact O-CB 3.19Å; E273-R277 WeakPolarHBondContact O-CG 3.36Å; E273-R277 PolarHBondContact O-N 3.34Å; E273-R277 IonicContact OE1-NH2 3.9Å; E273-R277 IonicContact OE2-CZ 2.81Å; E273-R277 IonicContact OE2-NH2 3.78Å; E273-R277 PolarHBondContact OE2-NH2 3.07Å; T274-R277 PolarHBondContact O-N 3.39Å; R275-R277 PolarHBondContact O-N 2.9Å; R277-N280 PolarHBondContact O-N 3.46Å; R277-L281 WeakPolarHBondContact O-CB 3.14Å; R277-L281 VanDerWaalsContact O-CG 3.29Å; R277-L281 WeakPolarHBondContact O-CG 3.24Å; R277-L281 PolarHBondContact O-N 2.82Å
278	L	85.9	Confident	78.3	Confident	15 Å²	15	74.5 Å²	74.5	8%	0.079	35%	0.35	C	S	.	.	H	α-helix	trans	-63.4	-42.7	177.3	-74.8	172.3	0	0	0	111.9	W269 T274 R275 N280 L281 L282 F305 Y314 L377	W269-L278 HydrophobicContact CH2-CD1 3.8Å; T274-L278 WeakPolarHBondContact O-CB 3.38Å; T274-L278 VanDerWaalsContact O-CG 3.28Å; T274-L278 WeakPolarHBondContact O-CG 3.48Å; T274-L278 PolarHBondContact O-N 3.4Å; R275-L278 PolarHBondContact O-N 3.19Å; L278-N280 VanDerWaalsContact C-N 3.34Å; L278-N280 PolarHBondContact O-N 2.63Å; L278-L281 PolarHBondContact O-N 3Å; L278-L282 WeakPolarHBondContact O-CB 2.78Å; L278-L282 WeakPolarHBondContact O-CG 3.06Å; L278-L282 PolarHBondContact O-N 3.15Å; L278-F305 HydrophobicContact CB-CE2 4.03Å; L278-F305 HydrophobicContact CB-CZ 4.11Å; L278-Y314 HydrophobicContact CD1-CD1 3.83Å; L278-Y314 HydrophobicContact CD1-CE1 3.73Å; L278-L377 HydrophobicContact CD1-CD1 4.14Å; L278-L377 HydrophobicContact CD2-CD1 3.83Å; L278-L377 HydrophobicContact CD2-CD2 3.75Å; L278-L377 HydrophobicContact CD2-CG 4.39Å
279	F	86	Confident	77.3	Confident	41 Å²	41	77.4 Å²	77.4	18%	0.18	36%	0.361	C	S	.	.	H	α-helix	trans	-60.1	-45	175.2	-173	-94.9	0	0	0	111.1	R275 R276 L282 S283 F301 T302 F305	R275-F279 VanDerWaalsContact O-CB 3.24Å; R275-F279 WeakPolarHBondContact O-CB 3.02Å; R275-F279 PolarHBondContact O-N 2.83Å; R276-F279 PolarHBondContact O-N 3.45Å; F279-L282 PolarHBondContact O-N 3.3Å; F279-S283 VanDerWaalsContact O-CB 3.31Å; F279-S283 WeakPolarHBondContact O-CB 2.8Å; F279-S283 PolarHBondContact O-N 3.04Å; F279-S283 PolarHBondContact O-OG 2.87Å; F279-F301 HydrophobicContact CD2-CD1 4.18Å; F279-F301 AromaticContact CD2-CE1 3.76Å; F279-F301 HydrophobicContact CD2-CE1 3.76Å; F279-F301 HydrophobicContact CE1-CD1 4.47Å; F279-F301 HydrophobicContact CE1-CE1 4.3Å; F279-F301 AromaticContact CE2-CD1 3.36Å; F279-F301 HydrophobicContact CE2-CD1 3.36Å; F279-F301 AromaticContact CE2-CE1 3.4Å; F279-F301 HydrophobicContact CE2-CE1 3.4Å; F279-F301 VanDerWaalsContact CE2-CE1 3.4Å; F279-F301 HydrophobicContact CG-CE1 4.35Å; F279-F301 AromaticContact CZ-CD1 3.55Å; F279-F301 HydrophobicContact CZ-CD1 3.55Å; F279-F301 AromaticContact CZ-CE1 3.72Å; F279-F301 HydrophobicContact CZ-CE1 3.72Å; F279-T302 HydrophobicContact CE2-CG2 3.88Å; F279-T302 HydrophobicContact CZ-CG2 4.22Å; F279-F305 HydrophobicContact CB-CE2 4.22Å; F279-F305 HydrophobicContact CB-CZ 4.47Å; F279-F305 HydrophobicContact CD2-CD2 4.19Å; F279-F305 HydrophobicContact CD2-CE2 4.5Å; F279-F305 HydrophobicContact CD2-CG 4.28Å
280	N	85.5	Confident	76.1	Confident	92 Å²	92	79.1 Å²	79.1	49%	0.492	37%	0.372	S	S	.	.	H	α-helix	trans	-64.8	-40.6	176	-69.7	-11.9	0	0	0	113	R276 R277 L278 S283 L284	R276-N280 WeakPolarHBondContact O-CB 3.1Å; R276-N280 PolarHBondContact O-N 3.12Å; R276-N280 PolarHBondContact O-ND2 2.9Å; R276-N280 PolarHBondContact O-OD1 3.44Å; R277-N280 PolarHBondContact O-N 3.46Å; L278-N280 VanDerWaalsContact C-N 3.34Å; L278-N280 PolarHBondContact O-N 2.63Å; N280-S283 WeakPolarHBondContact CA-OG 3.43Å; N280-S283 PolarHBondContact O-OG 3.29Å; N280-L284 WeakPolarHBondContact O-CD1 3.36Å; N280-L284 WeakPolarHBondContact O-CG 3.22Å; N280-L284 PolarHBondContact O-N 2.83Å; N280-L284 VanDerWaalsContact O-N 3.08Å
281	L	83.3	Confident	74.8	Confident	98 Å²	98	82.2 Å²	82.2	51%	0.513	39%	0.388	S	S	.	.	H	α-helix	trans	-65.7	-40.6	177.7	-73.7	174.2	0	0	0	111.8	R277 L278 R285	R277-L281 WeakPolarHBondContact O-CB 3.14Å; R277-L281 VanDerWaalsContact O-CG 3.29Å; R277-L281 WeakPolarHBondContact O-CG 3.24Å; R277-L281 PolarHBondContact O-N 2.82Å; L278-L281 PolarHBondContact O-N 3Å; L281-R285 PolarHBondContact O-N 2.77Å
282	L	79.9	Confident	73.5	Confident	40 Å²	40	87.4 Å²	87.4	21%	0.209	40%	0.404	C	S	.	.	H	α-helix	trans	-76	-33.8	179.1	-68.6	171.7	0	0	0	112.4	L278 F279 L284 R285 N286 F301 F305 I311	L278-L282 WeakPolarHBondContact O-CB 2.78Å; L278-L282 WeakPolarHBondContact O-CG 3.06Å; L278-L282 PolarHBondContact O-N 3.15Å; F279-L282 PolarHBondContact O-N 3.3Å; L282-L284 VanDerWaalsContact C-N 3.33Å; L282-R285 PolarHBondContact O-N 2.86Å; L282-N286 WeakPolarHBondContact O-CB 3.48Å; L282-N286 PolarHBondContact O-N 2.73Å; L282-F301 HydrophobicContact CB-CZ 3.85Å; L282-F305 HydrophobicContact CD1-CD2 3.63Å; L282-F305 HydrophobicContact CD1-CE2 3.73Å; L282-I311 HydrophobicContact CD1-CD1 3.51Å
283	S	77.4	Confident	72.2	Confident	30 Å²	30	92.6 Å²	92.6	21%	0.21	43%	0.431	C	S	.	.	H	α-helix	trans	-66	-37.2	174.1	69.1	0	0	0	0	111.5	F279 N280 N286 N287	F279-S283 VanDerWaalsContact O-CB 3.31Å; F279-S283 WeakPolarHBondContact O-CB 2.8Å; F279-S283 PolarHBondContact O-N 3.04Å; F279-S283 PolarHBondContact O-OG 2.87Å; N280-S283 WeakPolarHBondContact CA-OG 3.43Å; N280-S283 PolarHBondContact O-OG 3.29Å; S283-N286 PolarHBondContact O-N 3.4Å; S283-N287 WeakPolarHBondContact O-CB 3.34Å; S283-N287 PolarHBondContact O-N 3.37Å; S283-N287 PolarHBondContact O-ND2 2.9Å
284	L	77.3	Confident	70.7	Confident	106 Å²	106	95.6 Å²	95.6	56%	0.555	45%	0.45	S	S	*	.	H	α-helix	trans	-62.1	-47.7	172.2	-72.8	168	0	0	0	111.9	N280 L282 N286 N287 E288	N280-L284 WeakPolarHBondContact O-CD1 3.36Å; N280-L284 WeakPolarHBondContact O-CG 3.22Å; N280-L284 PolarHBondContact O-N 2.83Å; N280-L284 VanDerWaalsContact O-N 3.08Å; L282-L284 VanDerWaalsContact C-N 3.33Å; L284-N286 VanDerWaalsContact C-N 3.28Å; L284-N286 PolarHBondContact O-N 2.9Å; L284-N287 PolarHBondContact O-N 3.05Å; L284-E288 PolarHBondContact O-N 2.98Å
285	R	70.9	Confident	69.5	Low	156 Å²	156	102.6 Å²	102.6	59%	0.589	48%	0.48	S	S	*	.	H	α-helix	trans	-60.8	-37.6	176.5	-170.2	-179.5	-173.9	-176.9	2.6	112.3	L281 L282	L281-R285 PolarHBondContact O-N 2.77Å; L282-R285 PolarHBondContact O-N 2.86Å
286	N	65.1	Low	68.2	Low	33 Å²	33	106.8 Å²	106.8	18%	0.176	50%	0.496	C	S	.	.	H	α-helix	trans	-75	-35.1	176.7	-83.8	5.9	0	0	0	112.2	L282 S283 L284 E288 Q289 V290 F301	L282-N286 WeakPolarHBondContact O-CB 3.48Å; L282-N286 PolarHBondContact O-N 2.73Å; S283-N286 PolarHBondContact O-N 3.4Å; L284-N286 VanDerWaalsContact C-N 3.28Å; L284-N286 PolarHBondContact O-N 2.9Å; N286-E288 PolarHBondContact O-N 3.23Å; N286-Q289 CarbonylContact O-C 3.41Å; N286-Q289 WeakPolarHBondContact O-CA 3.49Å; N286-Q289 WeakPolarHBondContact O-CB 3.38Å; N286-Q289 PolarHBondContact O-N 3.23Å; N286-V290 WeakPolarHBondContact O-CB 3.41Å; N286-V290 WeakPolarHBondContact O-CG2 3.39Å; N286-V290 PolarHBondContact O-N 2.67Å; N286-F301 WeakPolarHBondContact ND2-CD2 3.38Å; N286-F301 WeakPolarHBondContact ND2-CE2 3.28Å
287	N	61.5	Low	67.1	Low	89 Å²	89	107.2 Å²	107.2	48%	0.476	50%	0.502	S	S	.	.	H	α-helix	trans	-60	-37	174.3	-75.4	-20.3	0	0	0	111.4	S283 L284 Q289 V290 I291	S283-N287 WeakPolarHBondContact O-CB 3.34Å; S283-N287 PolarHBondContact O-N 3.37Å; S283-N287 PolarHBondContact O-ND2 2.9Å; L284-N287 PolarHBondContact O-N 3.05Å; N287-Q289 PolarHBondContact O-N 3.14Å; N287-V290 PolarHBondContact O-N 2.77Å; N287-I291 WeakPolarHBondContact O-CD1 3.47Å; N287-I291 WeakPolarHBondContact O-CG1 3.33Å; N287-I291 PolarHBondContact O-N 3.5Å
288	E	60.2	Low	66.1	Low	142 Å²	142	107.4 Å²	107.4	66%	0.664	51%	0.508	S	S	*	.	H	α-helix	trans	-61.3	-30.4	171.1	-66.9	177.3	169.2	0	0	113.1	L284 N286	L284-E288 PolarHBondContact O-N 2.98Å; N286-E288 PolarHBondContact O-N 3.23Å
289	Q	55.4	Low	65.1	Low	110 Å²	110	109.8 Å²	109.8	51%	0.514	53%	0.526	S	S	.	.	H	α-helix	trans	-89.1	-31.3	176.4	-64.6	-175.4	-5.1	0	0	113.6	N286 N287 R292 N293	N286-Q289 CarbonylContact O-C 3.41Å; N286-Q289 WeakPolarHBondContact O-CA 3.49Å; N286-Q289 WeakPolarHBondContact O-CB 3.38Å; N286-Q289 PolarHBondContact O-N 3.23Å; N287-Q289 PolarHBondContact O-N 3.14Å; Q289-R292 WeakPolarHBondContact O-CB 3.21Å; Q289-R292 PolarHBondContact O-N 3.37Å; Q289-R292 VanDerWaalsContact O-N 3.12Å; Q289-N293 PolarHBondContact O-N 2.89Å
290	V	53.8	Low	64.2	Low	42 Å²	42	111.7 Å²	111.7	26%	0.255	54%	0.538	S	S	.	.	H	α-helix	trans	-78.3	-26.9	-178.9	171.4	0	0	0	0	111	N286 N287 R292 N293	N286-V290 WeakPolarHBondContact O-CB 3.41Å; N286-V290 WeakPolarHBondContact O-CG2 3.39Å; N286-V290 PolarHBondContact O-N 2.67Å; N287-V290 PolarHBondContact O-N 2.77Å; V290-R292 PolarHBondContact O-N 3.08Å; V290-R292 VanDerWaalsContact O-N 3.08Å; V290-N293 CarbonylContact O-C 3.58Å; V290-N293 VanDerWaalsContact O-C 3.3Å; V290-N293 PolarHBondContact O-N 2.77Å; V290-N293 VanDerWaalsContact O-O 3.11Å
291	I	53.8	Low	63.5	Low	145 Å²	145	108.5 Å²	108.5	74%	0.744	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-23.1	164.7	-70.2	163	0	0	0	111.2	N287	N287-I291 WeakPolarHBondContact O-CD1 3.47Å; N287-I291 WeakPolarHBondContact O-CG1 3.33Å; N287-I291 PolarHBondContact O-N 3.5Å
292	R	50.4	Low	63.2	Low	211 Å²	211	106.2 Å²	106.2	80%	0.796	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-30.7	173.6	-62	-179.8	176.6	163.5	0.6	114	Q289 V290	Q289-R292 WeakPolarHBondContact O-CB 3.21Å; Q289-R292 PolarHBondContact O-N 3.37Å; Q289-R292 VanDerWaalsContact O-N 3.12Å; V290-R292 PolarHBondContact O-N 3.08Å; V290-R292 VanDerWaalsContact O-N 3.08Å
293	N	51	Low	63	Low	122 Å²	122	108.9 Å²	108.9	65%	0.652	53%	0.529	S	S	*	.	S	Bend	trans	-133.2	101.8	-171.8	-67.4	-24.4	0	0	0	110	Q289 V290	Q289-N293 PolarHBondContact O-N 2.89Å; V290-N293 CarbonylContact O-C 3.58Å; V290-N293 VanDerWaalsContact O-C 3.3Å; V290-N293 PolarHBondContact O-N 2.77Å; V290-N293 VanDerWaalsContact O-O 3.11Å
294	N	49.6	Very low	63	Low	146 Å²	146	111.2 Å²	111.2	78%	0.781	54%	0.536	S	S	*	.			trans	-58.5	134	-177.4	-71.3	-37.4	0	0	0	112.6
295	Q	56.9	Low	63.3	Low	187 Å²	187	106.4 Å²	106.4	87%	0.874	51%	0.511	S	S	*	.			trans	83.5	98.8	163.6	-52.3	178.8	9.3	0	0	117.6
296	R	59.2	Low	63.7	Low	147 Å²	147	103.3 Å²	103.3	56%	0.555	50%	0.503	S	S	*	.			trans	-127.8	138.3	153.9	-74.4	-171.7	178.1	-158.8	-6.2	109.9	E304	R296-E304 IonicContact CZ-OE1 3.56Å; R296-E304 IonicContact CZ-OE2 3.9Å; R296-E304 VanDerWaalsContact NH1-CD 3.31Å; R296-E304 IonicContact NH1-OE1 3.83Å; R296-E304 PolarHBondContact NH1-OE1 2.87Å; R296-E304 IonicContact NH1-OE2 3.1Å; R296-E304 PolarHBondContact NH1-OE2 3.06Å; R296-E304 IonicContact NH2-OE1 2.76Å
297	K	61	Low	64.6	Low	154 Å²	154	106 Å²	106	67%	0.67	52%	0.524	S	S	*	.			trans	-81	143.5	173.6	-66	176.9	-179.7	174.8	0	109.5	S299 D300 F301	K297-S299 PolarHBondContact O-N 2.87Å; K297-D300 PolarHBondContact O-N 2.77Å; K297-D300 VanDerWaalsContact O-N 3.1Å; K297-F301 PolarHBondContact O-N 3.27Å
298	E	64	Low	65.9	Low	149 Å²	149	104.8 Å²	104.8	70%	0.696	52%	0.518	S	S	*	.	H	α-helix	trans	-58.7	-33.7	-179.4	-170.5	175.4	-176.7	0	0	112.9	D300 F301 T302	E298-D300 VanDerWaalsContact C-N 3.32Å; E298-D300 PolarHBondContact O-N 2.78Å; E298-F301 PolarHBondContact O-N 3.34Å; E298-T302 PolarHBondContact O-N 2.91Å; E298-T302 VanDerWaalsContact O-N 3.12Å
299	S	65.5	Low	67.3	Low	65 Å²	65	101.9 Å²	101.9	46%	0.455	51%	0.513	S	S	.	.	H	α-helix	trans	-56.2	-45	174.1	53	0	0	0	0	112.4	K297 F301 T302 T303	K297-S299 PolarHBondContact O-N 2.87Å; S299-F301 VanDerWaalsContact C-N 3.28Å; S299-F301 PolarHBondContact O-N 3.11Å; S299-T302 PolarHBondContact O-N 3.04Å; S299-T302 PolarHBondContact O-OG1 2.89Å; S299-T303 PolarHBondContact O-N 3.23Å; S299-T303 PolarHBondContact O-OG1 3.24Å
300	D	66.4	Low	68.9	Low	81 Å²	81	97.5 Å²	97.5	43%	0.433	50%	0.496	S	S	.	.	H	α-helix	trans	-70.3	-35.5	-174	-52.4	-14.6	0	0	0	109.3	K297 E298 T303 E304	K297-D300 PolarHBondContact O-N 2.77Å; K297-D300 VanDerWaalsContact O-N 3.1Å; E298-D300 VanDerWaalsContact C-N 3.32Å; E298-D300 PolarHBondContact O-N 2.78Å; D300-T303 PolarHBondContact O-N 2.7Å; D300-E304 WeakPolarHBondContact O-CG 3.36Å; D300-E304 PolarHBondContact O-N 3.39Å
301	F	72.2	Confident	70.5	Confident	26 Å²	26	95.8 Å²	95.8	11%	0.114	49%	0.485	C	S	.	.	H	α-helix	trans	-66.1	-37.1	175	-176.6	-114	0	0	0	112.9	F279 L282 N286 K297 E298 S299 T303 E304 F305	F279-F301 HydrophobicContact CD2-CD1 4.18Å; F279-F301 AromaticContact CD2-CE1 3.76Å; F279-F301 HydrophobicContact CD2-CE1 3.76Å; F279-F301 HydrophobicContact CE1-CD1 4.47Å; F279-F301 HydrophobicContact CE1-CE1 4.3Å; F279-F301 AromaticContact CE2-CD1 3.36Å; F279-F301 HydrophobicContact CE2-CD1 3.36Å; F279-F301 AromaticContact CE2-CE1 3.4Å; F279-F301 HydrophobicContact CE2-CE1 3.4Å; F279-F301 VanDerWaalsContact CE2-CE1 3.4Å; F279-F301 HydrophobicContact CG-CE1 4.35Å; F279-F301 AromaticContact CZ-CD1 3.55Å; F279-F301 HydrophobicContact CZ-CD1 3.55Å; F279-F301 AromaticContact CZ-CE1 3.72Å; F279-F301 HydrophobicContact CZ-CE1 3.72Å; L282-F301 HydrophobicContact CB-CZ 3.85Å; N286-F301 WeakPolarHBondContact ND2-CD2 3.38Å; N286-F301 WeakPolarHBondContact ND2-CE2 3.28Å; K297-F301 PolarHBondContact O-N 3.27Å; E298-F301 PolarHBondContact O-N 3.34Å; S299-F301 VanDerWaalsContact C-N 3.28Å; S299-F301 PolarHBondContact O-N 3.11Å; F301-T303 VanDerWaalsContact C-N 3.34Å; F301-T303 PolarHBondContact O-N 2.63Å; F301-E304 PolarHBondContact O-N 3.45Å; F301-F305 VanDerWaalsContact O-CB 3.22Å; F301-F305 WeakPolarHBondContact O-CB 3.34Å; F301-F305 PolarHBondContact O-N 3.47Å
302	T	75.1	Confident	72.3	Confident	49 Å²	49	92.4 Å²	92.4	30%	0.301	47%	0.471	S	S	.	.	H	α-helix	trans	-64.3	-39.4	174.9	61.1	0	0	0	0	112.3	F279 E298 S299 F305 E306	F279-T302 HydrophobicContact CE2-CG2 3.88Å; F279-T302 HydrophobicContact CZ-CG2 4.22Å; E298-T302 PolarHBondContact O-N 2.91Å; E298-T302 VanDerWaalsContact O-N 3.12Å; S299-T302 PolarHBondContact O-N 3.04Å; S299-T302 PolarHBondContact O-OG1 2.89Å; T302-F305 PolarHBondContact O-N 3.24Å; T302-E306 WeakPolarHBondContact O-CG 3.48Å; T302-E306 PolarHBondContact O-N 2.81Å
303	T	77.2	Confident	74.3	Confident	97 Å²	97	86.7 Å²	86.7	60%	0.595	45%	0.453	S	S	*	.	H	α-helix	trans	-68.8	-42.6	177.2	-49.8	0	0	0	0	111.3	S299 D300 F301 F305 E306 S307	S299-T303 PolarHBondContact O-N 3.23Å; S299-T303 PolarHBondContact O-OG1 3.24Å; D300-T303 PolarHBondContact O-N 2.7Å; F301-T303 VanDerWaalsContact C-N 3.34Å; F301-T303 PolarHBondContact O-N 2.63Å; T303-F305 PolarHBondContact O-N 3.42Å; T303-E306 PolarHBondContact O-N 3.39Å; T303-S307 WeakPolarHBondContact O-CB 3.38Å; T303-S307 PolarHBondContact O-N 3.13Å; T303-S307 PolarHBondContact O-OG 3.17Å
304	E	77.3	Confident	76.2	Confident	79 Å²	79	81.8 Å²	81.8	37%	0.369	43%	0.426	S	S	.	.	H	α-helix	trans	-59.9	-44.9	173.7	-74.2	-179.8	171.8	0	0	111.7	R296 D300 F301 E306 S307 N308	R296-E304 IonicContact CZ-OE1 3.56Å; R296-E304 IonicContact CZ-OE2 3.9Å; R296-E304 VanDerWaalsContact NH1-CD 3.31Å; R296-E304 IonicContact NH1-OE1 3.83Å; R296-E304 PolarHBondContact NH1-OE1 2.87Å; R296-E304 IonicContact NH1-OE2 3.1Å; R296-E304 PolarHBondContact NH1-OE2 3.06Å; R296-E304 IonicContact NH2-OE1 2.76Å; D300-E304 WeakPolarHBondContact O-CG 3.36Å; D300-E304 PolarHBondContact O-N 3.39Å; F301-E304 PolarHBondContact O-N 3.45Å; E304-E306 PolarHBondContact O-N 3.26Å; E304-S307 WeakPolarHBondContact CA-OG 3.36Å; E304-S307 PolarHBondContact O-N 2.83Å; E304-S307 PolarHBondContact O-OG 3.08Å; E304-N308 PolarHBondContact O-N 3.15Å
305	F	82.5	Confident	78.2	Confident	5 Å²	5	78.6 Å²	78.6	2%	0.022	40%	0.403	C	S	.	.	H	α-helix	trans	-58.2	-46.1	177.2	175.3	-89.5	0	0	0	111.8	W269 R275 L278 F279 L282 F301 T302 T303 S307 N308 I311	W269-F305 HydrophobicContact CZ2-CE1 4.39Å; W269-F305 HydrophobicContact CZ2-CZ 4.42Å; R275-F305 HydrophobicContact CG-CE1 4.03Å; R275-F305 HydrophobicContact CG-CZ 4.2Å; L278-F305 HydrophobicContact CB-CE2 4.03Å; L278-F305 HydrophobicContact CB-CZ 4.11Å; F279-F305 HydrophobicContact CB-CE2 4.22Å; F279-F305 HydrophobicContact CB-CZ 4.47Å; F279-F305 HydrophobicContact CD2-CD2 4.19Å; F279-F305 HydrophobicContact CD2-CE2 4.5Å; F279-F305 HydrophobicContact CD2-CG 4.28Å; L282-F305 HydrophobicContact CD1-CD2 3.63Å; L282-F305 HydrophobicContact CD1-CE2 3.73Å; F301-F305 VanDerWaalsContact O-CB 3.22Å; F301-F305 WeakPolarHBondContact O-CB 3.34Å; F301-F305 PolarHBondContact O-N 3.47Å; T302-F305 PolarHBondContact O-N 3.24Å; T303-F305 PolarHBondContact O-N 3.42Å; F305-S307 VanDerWaalsContact C-N 3.32Å; F305-S307 PolarHBondContact O-N 2.88Å; F305-N308 PolarHBondContact O-N 3.35Å; F305-I311 HydrophobicContact CD2-CD1 3.6Å; F305-I311 HydrophobicContact CE1-CG2 4.2Å; F305-I311 HydrophobicContact CE2-CD1 3.65Å; F305-I311 HydrophobicContact CG-CD1 4.13Å; F305-I311 HydrophobicContact CZ-CD1 4.19Å; F305-I311 HydrophobicContact CZ-CG2 4.14Å; F305-I311 WeakPolarHBondContact O-CD1 3.43Å
306	E	80.7	Confident	79.8	Confident	91 Å²	91	76.9 Å²	76.9	43%	0.425	39%	0.392	S	S	.	.	H	α-helix	trans	-72.9	-26.4	-179.2	-69.3	-177.3	-178	0	0	113.1	R275 T302 T303 E304 V312	R275-E306 IonicContact NH2-OE1 3.75Å; R275-E306 PolarHBondContact NH2-OE1 2.96Å; T302-E306 WeakPolarHBondContact O-CG 3.48Å; T302-E306 PolarHBondContact O-N 2.81Å; T303-E306 PolarHBondContact O-N 3.39Å; E304-E306 PolarHBondContact O-N 3.26Å; E306-V312 WeakPolarHBondContact O-CG2 3.49Å
307	S	84.2	Confident	81.3	Confident	88 Å²	88	70 Å²	70	62%	0.615	37%	0.368	S	S	*	.	H	α-helix	trans	-79.7	-17.3	177.6	73.1	0	0	0	0	114.5	T303 E304 F305 S309	T303-S307 WeakPolarHBondContact O-CB 3.38Å; T303-S307 PolarHBondContact O-N 3.13Å; T303-S307 PolarHBondContact O-OG 3.17Å; E304-S307 WeakPolarHBondContact CA-OG 3.36Å; E304-S307 PolarHBondContact O-N 2.83Å; E304-S307 PolarHBondContact O-OG 3.08Å; F305-S307 VanDerWaalsContact C-N 3.32Å; F305-S307 PolarHBondContact O-N 2.88Å; S307-S309 PolarHBondContact O-N 3.14Å
308	N	86.8	Confident	82.6	Confident	64 Å²	64	63.3 Å²	63.3	34%	0.342	34%	0.339	S	S	.	.			trans	-65	121.3	-174.9	-175.1	-17.1	0	0	0	111.5	E304 F305 A310 I311 V312	E304-N308 PolarHBondContact O-N 3.15Å; F305-N308 PolarHBondContact O-N 3.35Å; N308-A310 VanDerWaalsContact C-N 3.28Å; N308-A310 PolarHBondContact O-N 3.41Å; N308-A310 PolarHBondContact OD1-N 3.37Å; N308-A310 VanDerWaalsContact OD1-N 3.15Å; N308-I311 HydrophobicContact CB-CB 4.28Å; N308-I311 HydrophobicContact CB-CD1 3.88Å; N308-I311 HydrophobicContact CB-CG1 4.02Å; N308-I311 PolarHBondContact O-N 2.81Å; N308-V312 WeakPolarHBondContact O-CG2 3.36Å; N308-V312 PolarHBondContact O-N 2.65Å
309	S	89.9	Confident	83.7	Confident	82 Å²	82	60.8 Å²	60.8	57%	0.573	33%	0.325	S	S	*	.	H	α-helix	trans	-56.2	-39	-176.1	60.5	0	0	0	0	113.3	S307 I311 V312 Q313	S307-S309 PolarHBondContact O-N 3.14Å; S309-I311 VanDerWaalsContact C-N 3.35Å; S309-I311 PolarHBondContact O-N 2.81Å; S309-V312 PolarHBondContact O-N 3.19Å; S309-Q313 WeakPolarHBondContact O-CG 3.49Å; S309-Q313 PolarHBondContact O-N 3.35Å
310	A	88.8	Confident	84.6	Confident	17 Å²	17	59.2 Å²	59.2	14%	0.14	31%	0.314	C	S	.	.	H	α-helix	trans	-65.8	-38.3	178.7	0	0	0	0	0	112	N308 Q313 Y314	N308-A310 VanDerWaalsContact C-N 3.28Å; N308-A310 PolarHBondContact O-N 3.41Å; N308-A310 PolarHBondContact OD1-N 3.37Å; N308-A310 VanDerWaalsContact OD1-N 3.15Å; A310-Q313 PolarHBondContact O-N 3.06Å; A310-Y314 WeakPolarHBondContact O-CB 3.47Å; A310-Y314 PolarHBondContact O-N 3.37Å
311	I	89.2	Confident	85.5	Confident	6 Å²	6	55.9 Å²	55.9	3%	0.031	30%	0.297	C	S	.	.	H	α-helix	trans	-72.8	-38.8	179	-59.2	179	0	0	0	110.2	W269 L282 F305 N308 S309 Y314 R315	W269-I311 HydrophobicContact CH2-CG2 4.42Å; W269-I311 HydrophobicContact CZ2-CG2 3.84Å; L282-I311 HydrophobicContact CD1-CD1 3.51Å; F305-I311 HydrophobicContact CD2-CD1 3.6Å; F305-I311 HydrophobicContact CE1-CG2 4.2Å; F305-I311 HydrophobicContact CE2-CD1 3.65Å; F305-I311 HydrophobicContact CG-CD1 4.13Å; F305-I311 HydrophobicContact CZ-CD1 4.19Å; F305-I311 HydrophobicContact CZ-CG2 4.14Å; F305-I311 WeakPolarHBondContact O-CD1 3.43Å; N308-I311 HydrophobicContact CB-CB 4.28Å; N308-I311 HydrophobicContact CB-CD1 3.88Å; N308-I311 HydrophobicContact CB-CG1 4.02Å; N308-I311 PolarHBondContact O-N 2.81Å; S309-I311 VanDerWaalsContact C-N 3.35Å; S309-I311 PolarHBondContact O-N 2.81Å; I311-Y314 PolarHBondContact O-N 3.21Å; I311-R315 VanDerWaalsContact O-CB 3.26Å; I311-R315 WeakPolarHBondContact O-CB 3.49Å; I311-R315 PolarHBondContact O-N 3.38Å
312	V	91	Very high	85.8	Confident	75 Å²	75	57.5 Å²	57.5	46%	0.455	30%	0.302	S	S	.	.	H	α-helix	trans	-62.4	-43.4	174.8	175.1	0	0	0	0	111.1	E306 N308 S309 R315 K316	E306-V312 WeakPolarHBondContact O-CG2 3.49Å; N308-V312 WeakPolarHBondContact O-CG2 3.36Å; N308-V312 PolarHBondContact O-N 2.65Å; S309-V312 PolarHBondContact O-N 3.19Å; V312-R315 PolarHBondContact O-N 2.78Å; V312-K316 WeakPolarHBondContact O-CB 3.34Å; V312-K316 PolarHBondContact O-N 2.96Å
313	Q	92	Very high	85.9	Confident	90 Å²	90	57.5 Å²	57.5	42%	0.421	30%	0.304	S	S	.	.	H	α-helix	trans	-61.9	-46.8	174.8	-73.2	176.6	7.7	0	0	111.5	S309 A310 R315 K316 A317 A373 N376	S309-Q313 WeakPolarHBondContact O-CG 3.49Å; S309-Q313 PolarHBondContact O-N 3.35Å; A310-Q313 PolarHBondContact O-N 3.06Å; Q313-R315 PolarHBondContact O-N 3.49Å; Q313-K316 PolarHBondContact O-N 3.3Å; Q313-A317 PolarHBondContact O-N 3.32Å; Q313-A373 HydrophobicContact CB-CB 4.29Å; Q313-N376 PolarHBondContact OE1-ND2 3.46Å
314	Y	91.5	Very high	85.6	Confident	20 Å²	20	56.8 Å²	56.8	8%	0.078	29%	0.293	C	S	.	.	H	α-helix	trans	-61.3	-44.7	177.5	-178	-105.1	0	0	0	112.4	W269 L278 A310 I311 K316 A317 L318 Y370 T374 L377	W269-Y314 AromaticContact CH2-CD1 3.89Å; W269-Y314 HydrophobicContact CH2-CD1 3.89Å; W269-Y314 HydrophobicContact CH2-CE1 4.19Å; W269-Y314 HydrophobicContact CZ3-CD1 4.09Å; W269-Y314 HydrophobicContact CZ3-CE1 4.12Å; L278-Y314 HydrophobicContact CD1-CD1 3.83Å; L278-Y314 HydrophobicContact CD1-CE1 3.73Å; A310-Y314 WeakPolarHBondContact O-CB 3.47Å; A310-Y314 PolarHBondContact O-N 3.37Å; I311-Y314 PolarHBondContact O-N 3.21Å; Y314-K316 VanDerWaalsContact C-N 3.33Å; Y314-K316 PolarHBondContact O-N 3.16Å; Y314-A317 PolarHBondContact O-N 3.26Å; Y314-L318 HydrophobicContact CD1-CD1 3.91Å; Y314-L318 HydrophobicContact CE1-CD1 3.27Å; Y314-L318 HydrophobicContact CE1-CG 4.14Å; Y314-L318 HydrophobicContact CE2-CD1 4.35Å; Y314-L318 HydrophobicContact CE2-CG 4.42Å; Y314-L318 PolarHBondContact O-N 3.05Å; Y314-Y370 HydrophobicContact CD2-CD2 4.49Å; Y314-Y370 HydrophobicContact CD2-CE2 4.1Å; Y314-Y370 HydrophobicContact CE2-CD2 4.04Å; Y314-Y370 AromaticContact CE2-CE2 3.25Å; Y314-Y370 HydrophobicContact CE2-CE2 3.25Å; Y314-Y370 AromaticContact CE2-CZ 3.77Å; Y314-Y370 AromaticContact CZ-CE2 3.78Å; Y314-Y370 PolarHBondContact OH-OH 3.3Å; Y314-Y370 VanDerWaalsContact OH-OH 3.08Å; Y314-T374 HydrophobicContact CD2-CG2 3.84Å; Y314-T374 HydrophobicContact CE2-CG2 3.44Å; Y314-T374 VanDerWaalsContact CE2-CG2 3.44Å; Y314-L377 HydrophobicContact CD1-CD1 4.07Å; Y314-L377 HydrophobicContact CD2-CD1 4.28Å; Y314-L377 HydrophobicContact CG-CD1 3.82Å
315	R	91	Very high	85.2	Confident	78 Å²	78	53.4 Å²	53.4	29%	0.294	28%	0.277	S	S	.	.	H	α-helix	trans	-58.6	-44.4	174.4	-179.2	-177	-171.6	-165.2	5.2	111.2	W269 D270 I311 V312 Q313 K319	W269-R315 HydrophobicContact CB-CG 4.43Å; W269-R315 VanDerWaalsContact CD1-NE 3.31Å; W269-R315 HydrophobicContact CD2-CB 4.24Å; W269-R315 HydrophobicContact CD2-CG 3.75Å; W269-R315 HydrophobicContact CE3-CB 4.32Å; W269-R315 HydrophobicContact CE3-CG 4.08Å; W269-R315 HydrophobicContact CG-CG 3.9Å; W269-R315 HydrophobicContact CH2-CB 4.44Å; W269-R315 HydrophobicContact CZ2-CB 4.36Å; W269-R315 HydrophobicContact CZ3-CB 4.44Å; D270-R315 IonicContact OD1-NH2 2.81Å; I311-R315 VanDerWaalsContact O-CB 3.26Å; I311-R315 WeakPolarHBondContact O-CB 3.49Å; I311-R315 PolarHBondContact O-N 3.38Å; V312-R315 PolarHBondContact O-N 2.78Å; Q313-R315 PolarHBondContact O-N 3.49Å; R315-K319 HydrophobicContact CG-CD 4.47Å; R315-K319 WeakPolarHBondContact O-CB 3.45Å; R315-K319 WeakPolarHBondContact O-CG 3.08Å; R315-K319 PolarHBondContact O-N 3.24Å
316	K	91.4	Very high	84.4	Confident	151 Å²	151	54 Å²	54	66%	0.657	28%	0.281	S	S	*	.	H	α-helix	trans	-63.4	-46.3	178.3	-175.1	-177.2	175.2	-172.2	0	111.2	V312 Q313 Y314 K319 S320	V312-K316 WeakPolarHBondContact O-CB 3.34Å; V312-K316 PolarHBondContact O-N 2.96Å; Q313-K316 PolarHBondContact O-N 3.3Å; Y314-K316 VanDerWaalsContact C-N 3.33Å; Y314-K316 PolarHBondContact O-N 3.16Å; K316-K319 PolarHBondContact O-N 2.96Å; K316-S320 PolarHBondContact O-N 2.97Å
317	A	90.8	Very high	83.6	Confident	4 Å²	4	50.7 Å²	50.7	3%	0.033	27%	0.266	C	S	.	.	H	α-helix	trans	-62.8	-43.2	178.9	0	0	0	0	0	112	Q313 Y314 S320 I321 E369 Y370 A373	Q313-A317 PolarHBondContact O-N 3.32Å; Y314-A317 PolarHBondContact O-N 3.26Å; A317-S320 WeakPolarHBondContact O-CB 3.34Å; A317-S320 PolarHBondContact O-N 3.03Å; A317-I321 PolarHBondContact O-N 2.94Å; A317-I321 VanDerWaalsContact O-N 3.09Å; A317-E369 HydrophobicContact CB-CB 4.42Å; A317-Y370 HydrophobicContact CB-CD2 4.41Å; A317-A373 HydrophobicContact CB-CB 4.06Å
318	L	87.8	Confident	82.7	Confident	13 Å²	13	47.7 Å²	47.7	7%	0.068	24%	0.243	C	C	.	.	H	α-helix	trans	-61.3	-47.1	173	-82.5	177.2	0	0	0	112.1	F267 W269 Y314 S320 I321 W322 Y370	F267-L318 HydrophobicContact CE1-CB 3.9Å; F267-L318 HydrophobicContact CE1-CD1 4.3Å; F267-L318 HydrophobicContact CZ-CB 4.17Å; F267-L318 HydrophobicContact CZ-CD1 3.82Å; W269-L318 HydrophobicContact CE3-CD1 4.44Å; W269-L318 HydrophobicContact CZ3-CD1 3.83Å; Y314-L318 HydrophobicContact CD1-CD1 3.91Å; Y314-L318 HydrophobicContact CE1-CD1 3.27Å; Y314-L318 HydrophobicContact CE1-CG 4.14Å; Y314-L318 HydrophobicContact CE2-CD1 4.35Å; Y314-L318 HydrophobicContact CE2-CG 4.42Å; Y314-L318 PolarHBondContact O-N 3.05Å; L318-S320 PolarHBondContact O-N 2.79Å; L318-I321 PolarHBondContact O-N 2.88Å; L318-W322 VanDerWaalsContact O-CD1 3.22Å; L318-W322 PolarHBondContact O-N 3.08Å; L318-Y370 HydrophobicContact CD2-CD2 3.95Å; L318-Y370 HydrophobicContact CD2-CE2 3.42Å; L318-Y370 VanDerWaalsContact CD2-CE2 3.42Å; L318-Y370 HydrophobicContact CG-CD2 4.15Å; L318-Y370 HydrophobicContact CG-CE2 3.78Å
319	K	86.1	Confident	81.6	Confident	95 Å²	95	50 Å²	50	41%	0.413	26%	0.255	S	S	.	.	H	α-helix	trans	-58.6	-36.5	176.1	-77.3	-176.5	175.6	-169.6	0	112.2	F267 R315 K316 W322 S323	F267-K319 HydrophobicContact CD1-CG 4.2Å; R315-K319 HydrophobicContact CG-CD 4.47Å; R315-K319 WeakPolarHBondContact O-CB 3.45Å; R315-K319 WeakPolarHBondContact O-CG 3.08Å; R315-K319 PolarHBondContact O-N 3.24Å; K316-K319 PolarHBondContact O-N 2.96Å; K319-W322 PolarHBondContact O-N 2.63Å; K319-S323 VanDerWaalsContact O-CB 3.31Å; K319-S323 WeakPolarHBondContact O-CB 3.32Å; K319-S323 PolarHBondContact O-N 3.38Å
320	S	85.4	Confident	80.1	Confident	32 Å²	32	47 Å²	47	22%	0.224	24%	0.236	C	C	.	.	H	α-helix	trans	-60.8	-50.2	174.9	-169.3	0	0	0	0	111.4	K316 A317 L318 W322 S323 N366	K316-S320 PolarHBondContact O-N 2.97Å; A317-S320 WeakPolarHBondContact O-CB 3.34Å; A317-S320 PolarHBondContact O-N 3.03Å; L318-S320 PolarHBondContact O-N 2.79Å; S320-W322 VanDerWaalsContact C-N 3.33Å; S320-W322 PolarHBondContact O-N 2.93Å; S320-S323 PolarHBondContact O-N 3.28Å; S320-S323 PolarHBondContact O-OG 3.2Å; S320-N366 PolarHBondContact OG-OD1 3.5Å
321	I	83.9	Confident	78.4	Confident	12 Å²	12	49.4 Å²	49.4	6%	0.062	25%	0.247	C	C	.	.	H	α-helix	trans	-57.6	-45.6	176.9	-71	171.4	0	0	0	111.5	A317 L318 V358 G360 A361 N366 Y370	A317-I321 PolarHBondContact O-N 2.94Å; A317-I321 VanDerWaalsContact O-N 3.09Å; L318-I321 PolarHBondContact O-N 2.88Å; I321-V358 HydrophobicContact CG2-CB 4.45Å; I321-V358 HydrophobicContact CG2-CG1 3.42Å; I321-V358 VanDerWaalsContact CG2-CG1 3.42Å; I321-G360 WeakPolarHBondContact O-CA 3.38Å; I321-A361 HydrophobicContact CG2-CB 4.08Å; I321-N366 HydrophobicContact CG1-CB 3.89Å; I321-Y370 HydrophobicContact CD1-CD1 4.38Å; I321-Y370 HydrophobicContact CD1-CD2 3.8Å; I321-Y370 HydrophobicContact CD1-CG 3.65Å
322	W	80	Confident	76.6	Confident	59 Å²	59	51.8 Å²	51.8	22%	0.223	26%	0.258	C	S	.	.	H	α-helix	trans	-81.8	-15.6	-177	-75.6	94.3	0	0	0	114.2	W264 F267 L318 K319 S320 K324 N325 D326 V358	W264-W322 HydrophobicContact CB-CZ3 4.3Å; W264-W322 VanDerWaalsContact O-CZ3 3.23Å; W264-W322 WeakPolarHBondContact O-CZ3 3.3Å; F267-W322 HydrophobicContact CB-CB 3.4Å; F267-W322 HydrophobicContact CB-CD2 3.71Å; F267-W322 HydrophobicContact CB-CE3 4.19Å; F267-W322 HydrophobicContact CB-CG 3.36Å; F267-W322 AromaticContact CD2-CD1 3.77Å; F267-W322 HydrophobicContact CD2-CD2 4.15Å; F267-W322 AromaticContact CD2-CE2 3.87Å; F267-W322 HydrophobicContact CD2-CG 4.1Å; F267-W322 HydrophobicContact CD2-CZ2 4.47Å; F267-W322 AromaticContact CD2-NE1 3.64Å; F267-W322 HydrophobicContact CG-CB 4.14Å; F267-W322 AromaticContact CG-CD1 3.66Å; F267-W322 HydrophobicContact CG-CD2 4.2Å; F267-W322 AromaticContact CG-CG 3.77Å; F267-W322 HydrophobicContact CG-CG 3.77Å; L318-W322 VanDerWaalsContact O-CD1 3.22Å; L318-W322 PolarHBondContact O-N 3.08Å; K319-W322 PolarHBondContact O-N 2.63Å; S320-W322 VanDerWaalsContact C-N 3.33Å; S320-W322 PolarHBondContact O-N 2.93Å; W322-K324 PolarHBondContact O-N 3.22Å; W322-N325 HydrophobicContact CE3-CB 3.98Å; W322-N325 CarbonylContact O-C 3.59Å; W322-N325 VanDerWaalsContact O-CA 3.28Å; W322-N325 WeakPolarHBondContact O-CA 3.41Å; W322-N325 VanDerWaalsContact O-CB 3.3Å; W322-N325 WeakPolarHBondContact O-CB 3.48Å; W322-N325 PolarHBondContact O-N 3.49Å; W322-D326 PolarHBondContact O-N 3.35Å; W322-V358 HydrophobicContact CH2-CG2 4.42Å; W322-V358 HydrophobicContact CZ2-CG2 4.41Å
323	S	77	Confident	74.8	Confident	50 Å²	50	56.9 Å²	56.9	35%	0.35	27%	0.269	S	S	.	.	H	α-helix	trans	-59.5	-33.5	178.6	68.3	0	0	0	0	112.3	K319 S320 N325 D326	K319-S323 VanDerWaalsContact O-CB 3.31Å; K319-S323 WeakPolarHBondContact O-CB 3.32Å; K319-S323 PolarHBondContact O-N 3.38Å; S320-S323 PolarHBondContact O-N 3.28Å; S320-S323 PolarHBondContact O-OG 3.2Å; S323-N325 PolarHBondContact O-N 3.31Å; S323-D326 PolarHBondContact O-N 3.22Å; S323-D326 VanDerWaalsContact O-N 3.16Å
324	K	70.7	Confident	72.8	Confident	81 Å²	81	57.2 Å²	57.2	35%	0.352	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-16.4	175.4	-54.3	-158.8	170.3	-160.6	0	112.8	W322 Q332 E363	W322-K324 PolarHBondContact O-N 3.22Å; K324-Q332 PolarHBondContact O-NE2 2.84Å; K324-E363 VanDerWaalsContact CD-OE1 3.32Å; K324-E363 WeakPolarHBondContact CD-OE1 3.47Å; K324-E363 WeakPolarHBondContact CE-OE1 3.37Å; K324-E363 WeakPolarHBondContact CE-OE2 3.48Å; K324-E363 IonicContact NZ-OE1 3.79Å; K324-E363 PolarHBondContact NZ-OE1 3.27Å; K324-E363 IonicContact NZ-OE2 3.7Å; K324-E363 PolarHBondContact NZ-OE2 3.14Å
325	N	68.6	Low	70.8	Confident	9 Å²	9	65 Å²	65	5%	0.048	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	4.9	170.9	-72.1	16.8	0	0	0	113.3	A265 W322 S323 I327 Q332 V358 P359	A265-N325 CarbonylContact C-O 3.53Å; A265-N325 WeakPolarHBondContact CA-O 3.36Å; W322-N325 HydrophobicContact CE3-CB 3.98Å; W322-N325 CarbonylContact O-C 3.59Å; W322-N325 VanDerWaalsContact O-CA 3.28Å; W322-N325 WeakPolarHBondContact O-CA 3.41Å; W322-N325 VanDerWaalsContact O-CB 3.3Å; W322-N325 WeakPolarHBondContact O-CB 3.48Å; W322-N325 PolarHBondContact O-N 3.49Å; S323-N325 PolarHBondContact O-N 3.31Å; N325-I327 PolarHBondContact O-N 2.91Å; N325-Q332 PolarHBondContact O-NE2 3.21Å; N325-Q332 PolarHBondContact O-OE1 2.82Å; N325-V358 VanDerWaalsContact ND2-CG1 3.27Å; N325-V358 WeakPolarHBondContact ND2-CG1 3.44Å; N325-V358 WeakPolarHBondContact ND2-CG2 3.28Å; N325-P359 WeakPolarHBondContact OD1-CD 3.46Å; N325-P359 WeakPolarHBondContact OD1-CG 3.25Å
326	D	66.5	Low	68.9	Low	17 Å²	17	69.4 Å²	69.4	9%	0.091	33%	0.328	C	S	.	.			trans	-78	123.5	170.9	-160.1	-19.9	0	0	0	111.2	R196 A265 W322 S323 L328 N329 G330 Q332	R196-D326 IonicContact CZ-OD1 3.95Å; R196-D326 IonicContact CZ-OD2 2.72Å; R196-D326 IonicContact NE-OD1 2.72Å; R196-D326 PolarHBondContact NE-OD1 2.94Å; R196-D326 IonicContact NE-OD2 2.56Å; R196-D326 IonicContact NH2-OD1 3.72Å; R196-D326 IonicContact NH2-OD2 3.63Å; R196-D326 PolarHBondContact NH2-OD2 2.79Å; A265-D326 VanDerWaalsContact O-CA 3.32Å; A265-D326 WeakPolarHBondContact O-CA 3.39Å; W322-D326 PolarHBondContact O-N 3.35Å; S323-D326 PolarHBondContact O-N 3.22Å; S323-D326 VanDerWaalsContact O-N 3.16Å; D326-L328 PolarHBondContact O-N 3.24Å; D326-L328 PolarHBondContact OD1-N 3.38Å; D326-L328 VanDerWaalsContact OD1-N 3.11Å; D326-N329 HydrophobicContact CB-CB 4.07Å; D326-N329 PolarHBondContact O-N 2.83Å; D326-G330 PolarHBondContact O-N 2.89Å; D326-Q332 PolarHBondContact O-NE2 3.22Å
327	I	64	Low	67	Low	22 Å²	22	67.9 Å²	67.9	11%	0.113	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-28	176	-66.4	169.3	0	0	0	110.3	L199 R200 M203 A265 N325	L199-I327 HydrophobicContact CB-CG2 4.4Å; L199-I327 HydrophobicContact CD1-CG2 4.04Å; R200-I327 HydrophobicContact CG-CD1 4.11Å; M203-I327 HydrophobicContact CE-CG2 4.04Å; A265-I327 HydrophobicContact CB-CD1 3.29Å; A265-I327 HydrophobicContact CB-CG1 3.57Å; N325-I327 PolarHBondContact O-N 2.91Å
328	L	65.3	Low	65.3	Low	25 Å²	25	74.4 Å²	74.4	13%	0.131	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-18.8	178.9	-60.7	179.4	0	0	0	114.1	R195 R196 L199 D326	R195-L328 HydrophobicContact CG-CD2 4.09Å; R196-L328 HydrophobicContact CG-CD1 3.97Å; R196-L328 HydrophobicContact CG-CG 4.25Å; L199-L328 HydrophobicContact CD1-CD2 3.6Å; D326-L328 PolarHBondContact O-N 3.24Å; D326-L328 PolarHBondContact OD1-N 3.38Å; D326-L328 VanDerWaalsContact OD1-N 3.11Å
329	N	63.4	Low	63.9	Low	113 Å²	113	78.5 Å²	78.5	60%	0.604	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.1	2.5	-170.4	-65.4	-27.4	0	0	0	114.8	D326	D326-N329 HydrophobicContact CB-CB 4.07Å; D326-N329 PolarHBondContact O-N 2.83Å
330	G	56.9	Low	62.6	Low	17 Å²	17	78 Å²	78	18%	0.175	40%	0.402	C	S	.	.	S	Bend	trans	164	169.2	172.6	0	0	0	0	0	117.2	D326 Q332	D326-G330 PolarHBondContact O-N 2.89Å; G330-Q332 VanDerWaalsContact C-N 3.3Å; G330-Q332 PolarHBondContact O-N 3.43Å
331	D	53.3	Low	61.3	Low	69 Å²	69	86 Å²	86	37%	0.369	43%	0.433	S	S	.	.			trans	-65.6	64.6	-169	-43.8	23.2	0	0	0	114.4	W216 W333 V334	W216-D331 HydrophobicContact CE3-CB 4.43Å; W216-D331 HydrophobicContact CH2-CB 3.95Å; W216-D331 WeakPolarHBondContact CH2-OD2 3.38Å; W216-D331 HydrophobicContact CZ2-CB 4.11Å; W216-D331 WeakPolarHBondContact CZ2-OD1 3.26Å; W216-D331 WeakPolarHBondContact CZ2-OD2 3.23Å; W216-D331 HydrophobicContact CZ3-CB 4.13Å; W216-D331 PolarHBondContact NE1-OD1 3.11Å; D331-W333 PolarHBondContact O-N 2.85Å; D331-V334 HydrophobicContact CB-CG2 3.54Å; D331-V334 PolarHBondContact O-N 3.32Å
332	Q	52.9	Low	60	Low	55 Å²	55	94.4 Å²	94.4	26%	0.257	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-7.5	174.2	-77.5	162.3	65.1	0	0	114.3	K324 N325 D326 G330 P359	K324-Q332 PolarHBondContact O-NE2 2.84Å; N325-Q332 PolarHBondContact O-NE2 3.21Å; N325-Q332 PolarHBondContact O-OE1 2.82Å; D326-Q332 PolarHBondContact O-NE2 3.22Å; G330-Q332 VanDerWaalsContact C-N 3.3Å; G330-Q332 PolarHBondContact O-N 3.43Å; Q332-P359 HydrophobicContact CG-CG 4.4Å
333	W	52.4	Low	58.9	Low	182 Å²	182	103 Å²	103	69%	0.689	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.4	24.8	178.8	-53.5	99.5	0	0	0	113.1	D331 K335	D331-W333 PolarHBondContact O-N 2.85Å; W333-K335 PolarHBondContact O-N 3.45Å
334	V	50.7	Low	57.7	Low	98 Å²	98	108.4 Å²	108.4	59%	0.594	52%	0.517	S	S	*	.			trans	-61	98.3	154.8	-174	0	0	0	0	105.8	D331 R336	D331-V334 HydrophobicContact CB-CG2 3.54Å; D331-V334 PolarHBondContact O-N 3.32Å; V334-R336 PolarHBondContact O-N 3.04Å
335	K	49.9	Very low	56.7	Low	183 Å²	183	108.6 Å²	108.6	80%	0.796	54%	0.542	S	S	*	.			trans	-50.1	115.5	167	-80.9	-176.1	178	179.1	0	105.2	W333	W333-K335 PolarHBondContact O-N 3.45Å
336	R	50.4	Low	55.6	Low	170 Å²	170	119.4 Å²	119.4	64%	0.642	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-49.2	137.1	168	-66.7	-169.2	-162.8	-164	4.1	106.2	V334 D338 T357	V334-R336 PolarHBondContact O-N 3.04Å; R336-D338 PolarHBondContact O-N 3.04Å; R336-D338 VanDerWaalsContact O-N 3.08Å; R336-T357 PolarHBondContact NH2-OG1 3.38Å
337	P	51.8	Low	55	Low	120 Å²	120	126.8 Å²	126.8	78%	0.779	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-47.1	126.9	173	-22.5	30.4	0	0	0	107.5	P339	P337-P339 VanDerWaalsContact O-N 3.12Å
338	D	54.9	Low	54.5	Low	140 Å²	140	136.5 Å²	136.5	75%	0.749	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-50.9	128.4	175.1	-77	-31.3	0	0	0	106.6	R336	R336-D338 PolarHBondContact O-N 3.04Å; R336-D338 VanDerWaalsContact O-N 3.08Å
339	P	57.3	Low	54.1	Low	100 Å²	100	140.4 Å²	140.4	65%	0.649	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-53.9	140.6	179	22.3	-32.2	0	0	0	108.1	P337 K341	P337-P339 VanDerWaalsContact O-N 3.12Å; P339-K341 PolarHBondContact O-N 3.38Å; P339-K341 VanDerWaalsContact O-N 3.14Å
340	P	59.4	Low	53.9	Low	84 Å²	84	141.4 Å²	141.4	55%	0.545	69%	0.686	S	S	.	*	P	Polyproline II helix	trans	-50.7	128.6	-177.6	18.3	-30.2	0	0	0	109.3	Y342	P340-Y342 VanDerWaalsContact C-N 3.3Å; P340-Y342 HydrophobicContact CG-CE1 4.47Å; P340-Y342 HydrophobicContact CG-CE2 3.76Å; P340-Y342 WeakPolarHBondContact O-CD2 3.37Å; P340-Y342 WeakPolarHBondContact O-CE2 3.33Å; P340-Y342 PolarHBondContact O-N 3.44Å
341	K	58.1	Low	53.3	Low	201 Å²	201	150.6 Å²	150.6	87%	0.874	72%	0.716	S	S	*	*			trans	-64.8	91.6	179.1	-71.8	-177.2	-179	176.7	0	108.8	P339 R343	P339-K341 PolarHBondContact O-N 3.38Å; P339-K341 VanDerWaalsContact O-N 3.14Å; K341-R343 PolarHBondContact O-N 3.39Å
342	Y	55.9	Low	53.2	Low	188 Å²	188	154.4 Å²	154.4	74%	0.737	74%	0.736	S	S	*	*			trans	-66.5	126	173.1	-65.3	-77.6	0	0	0	109.1	P340 H344	P340-Y342 VanDerWaalsContact C-N 3.3Å; P340-Y342 HydrophobicContact CG-CE1 4.47Å; P340-Y342 HydrophobicContact CG-CE2 3.76Å; P340-Y342 WeakPolarHBondContact O-CD2 3.37Å; P340-Y342 WeakPolarHBondContact O-CE2 3.33Å; P340-Y342 PolarHBondContact O-N 3.44Å; Y342-H344 PolarHBondContact O-N 3.47Å; Y342-H344 VanDerWaalsContact O-N 3.16Å
343	R	57.1	Low	53.1	Low	240 Å²	240	156 Å²	156	91%	0.906	75%	0.749	S	S	*	*	S	Bend	trans	-66	-10.5	-178.9	-78.8	-174.3	176.7	-176.1	-0.5	114.2	K341	K341-R343 PolarHBondContact O-N 3.39Å
344	H	52.5	Low	53.1	Low	162 Å²	162	152.3 Å²	152.3	75%	0.75	75%	0.749	S	S	*	*	S	Bend	trans	-133.8	134.2	-175.7	-63.8	-69.1	0	0	0	111.4	Y342 R346	Y342-H344 PolarHBondContact O-N 3.47Å; Y342-H344 VanDerWaalsContact O-N 3.16Å; H344-R346 PolarHBondContact O-N 3.48Å
345	G	49.7	Very low	53.3	Low	85 Å²	85	155.5 Å²	155.5	88%	0.876	76%	0.755	S	S	*	*			trans	-64.8	114.6	-170	0	0	0	0	0	113.6
346	R	45.5	Very low	53.7	Low	237 Å²	237	151.4 Å²	151.4	89%	0.894	75%	0.745	S	S	*	*			trans	-127.1	109.5	153	-75.8	-167.2	-176.7	-130.7	2.4	108	H344	H344-R346 PolarHBondContact O-N 3.48Å
347	L	54.5	Low	54.2	Low	171 Å²	171	146.4 Å²	146.4	90%	0.895	73%	0.733	S	S	*	*			trans	54.9	126.2	175	-61.7	163.6	0	0	0	115
348	R	53.6	Low	55.1	Low	227 Å²	227	142.1 Å²	142.1	86%	0.857	71%	0.705	S	S	*	*			trans	-56.5	134.1	166.1	-61.7	-175.9	-163.1	-172.1	5.2	106.6	I350	R348-I350 PolarHBondContact O-N 3.13Å
349	P	56.1	Low	55.7	Low	106 Å²	106	138 Å²	138	69%	0.688	69%	0.686	S	S	*	*			trans	-52.1	136	169.7	21.4	-30.3	0	0	0	107.6	R351	P349-R351 VanDerWaalsContact C-N 3.3Å; P349-R351 PolarHBondContact O-N 3.32Å
350	I	58.4	Low	56.6	Low	134 Å²	134	133.2 Å²	133.2	69%	0.687	66%	0.655	S	S	*	*			trans	-57	100.8	176.6	-61.1	170.9	0	0	0	106	R348 N352 V353	R348-I350 PolarHBondContact O-N 3.13Å; I350-N352 PolarHBondContact O-N 3.07Å; I350-V353 HydrophobicContact CB-CG2 4.15Å; I350-V353 HydrophobicContact CG2-CG2 4.17Å
351	R	46.1	Very low	57.4	Low	211 Å²	211	130.7 Å²	130.7	80%	0.796	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.5	128.1	170.1	-69.1	-175.4	178.2	-173.2	-1.9	104.9	P349	P349-R351 VanDerWaalsContact C-N 3.3Å; P349-R351 PolarHBondContact O-N 3.32Å
352	N	50.6	Low	58.4	Low	148 Å²	148	126.7 Å²	126.7	79%	0.791	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	70.8	61.2	-173.7	-42.1	-24.4	0	0	0	112.5	I350 P354	I350-N352 PolarHBondContact O-N 3.07Å; N352-P354 VanDerWaalsContact O-CD 3.23Å; N352-P354 WeakPolarHBondContact O-CD 3.39Å; N352-P354 VanDerWaalsContact O-N 3.17Å
353	V	50.8	Low	59.8	Low	89 Å²	89	121.1 Å²	121.1	54%	0.539	61%	0.61	S	S	.	*			trans	-61.1	116.7	155.2	-174.1	0	0	0	0	105.5	I350 F355	I350-V353 HydrophobicContact CB-CG2 4.15Å; I350-V353 HydrophobicContact CG2-CG2 4.17Å; V353-F355 PolarHBondContact O-N 3.29Å
354	P	52.1	Low	61.2	Low	104 Å²	104	116.7 Å²	116.7	68%	0.675	60%	0.597	S	S	*	*	S	Bend	trans	-66.4	-12.4	-173.5	24.2	-31.6	0	0	0	112.6	N352	N352-P354 VanDerWaalsContact O-CD 3.23Å; N352-P354 WeakPolarHBondContact O-CD 3.39Å; N352-P354 VanDerWaalsContact O-N 3.17Å
355	F	53.9	Low	63	Low	165 Å²	165	114.3 Å²	114.3	72%	0.724	59%	0.59	S	S	*	*			trans	-114.3	110.1	-179.7	-53.6	-65.2	0	0	0	109.6	V353 T357	V353-F355 PolarHBondContact O-N 3.29Å; F355-T357 PolarHBondContact O-N 3.32Å
356	V	58.5	Low	64.8	Low	97 Å²	97	110.9 Å²	110.9	59%	0.588	55%	0.552	S	S	*	*			trans	-69.1	119.7	159.2	-179.5	0	0	0	0	106	W264 V358	W264-V356 HydrophobicContact CE3-CG2 4.21Å; W264-V356 HydrophobicContact CH2-CG2 4.04Å; W264-V356 HydrophobicContact CZ3-CG2 3.72Å; V356-V358 PolarHBondContact O-N 2.69Å
357	T	61.9	Low	66.9	Low	65 Å²	65	102.9 Å²	102.9	40%	0.399	53%	0.526	S	S	.	.			trans	-58.1	129	176	52.4	0	0	0	0	108.7	R336 F355 P359	R336-T357 PolarHBondContact NH2-OG1 3.38Å; F355-T357 PolarHBondContact O-N 3.32Å; T357-P359 WeakPolarHBondContact O-CD 2.87Å
358	V	69.5	Low	68.6	Low	30 Å²	30	99.3 Å²	99.3	18%	0.182	51%	0.505	C	S	.	.			trans	-78.6	108.5	171.2	170.7	0	0	0	0	107.2	I321 W322 N325 V356 G360 A361	I321-V358 HydrophobicContact CG2-CB 4.45Å; I321-V358 HydrophobicContact CG2-CG1 3.42Å; I321-V358 VanDerWaalsContact CG2-CG1 3.42Å; W322-V358 HydrophobicContact CH2-CG2 4.42Å; W322-V358 HydrophobicContact CZ2-CG2 4.41Å; N325-V358 VanDerWaalsContact ND2-CG1 3.27Å; N325-V358 WeakPolarHBondContact ND2-CG1 3.44Å; N325-V358 WeakPolarHBondContact ND2-CG2 3.28Å; V356-V358 PolarHBondContact O-N 2.69Å; V358-G360 PolarHBondContact O-N 3.43Å; V358-G360 VanDerWaalsContact O-N 3.09Å; V358-A361 HydrophobicContact CB-CB 4.07Å; V358-A361 HydrophobicContact CG1-CB 4.25Å; V358-A361 WeakPolarHBondContact O-CA 3.34Å; V358-A361 VanDerWaalsContact O-CB 3.26Å; V358-A361 WeakPolarHBondContact O-CB 3.36Å; V358-A361 PolarHBondContact O-N 3.24Å
359	P	68.7	Low	70.4	Confident	54 Å²	54	92.8 Å²	92.8	35%	0.351	48%	0.484	S	S	.	.	G	3₁₀ helix	trans	-50.5	-35.9	-178.4	-1.4	-15.1	0	0	0	114.3	N325 Q332 T357 A361 D362	N325-P359 WeakPolarHBondContact OD1-CD 3.46Å; N325-P359 WeakPolarHBondContact OD1-CG 3.25Å; Q332-P359 HydrophobicContact CG-CG 4.4Å; T357-P359 WeakPolarHBondContact O-CD 2.87Å; P359-A361 PolarHBondContact O-N 2.7Å; P359-D362 PolarHBondContact O-N 3.28Å; P359-D362 VanDerWaalsContact O-N 3.08Å
360	G	75.1	Confident	72	Confident	0 Å²	0	90.9 Å²	90.9	0%	0	46%	0.464	C	S	.	.	G	3₁₀ helix	trans	-67.7	-15.6	176.7	0	0	0	0	0	114.8	I321 V358 N366	I321-G360 WeakPolarHBondContact O-CA 3.38Å; V358-G360 PolarHBondContact O-N 3.43Å; V358-G360 VanDerWaalsContact O-N 3.09Å; G360-N366 WeakPolarHBondContact O-CB 3.28Å; G360-N366 PolarHBondContact O-ND2 3.25Å
361	A	76.2	Confident	73.6	Confident	30 Å²	30	87 Å²	87	25%	0.248	45%	0.447	C	S	.	.	G	3₁₀ helix	trans	-84.5	-11.2	173.1	0	0	0	0	0	112.9	I321 V358 P359 E363 L367	I321-A361 HydrophobicContact CG2-CB 4.08Å; V358-A361 HydrophobicContact CB-CB 4.07Å; V358-A361 HydrophobicContact CG1-CB 4.25Å; V358-A361 WeakPolarHBondContact O-CA 3.34Å; V358-A361 VanDerWaalsContact O-CB 3.26Å; V358-A361 WeakPolarHBondContact O-CB 3.36Å; V358-A361 PolarHBondContact O-N 3.24Å; P359-A361 PolarHBondContact O-N 2.7Å; A361-E363 VanDerWaalsContact C-N 3.26Å; A361-L367 HydrophobicContact CB-CD2 4.35Å; A361-L367 WeakPolarHBondContact O-CD1 3.37Å; A361-L367 VanDerWaalsContact O-CD2 3.31Å; A361-L367 WeakPolarHBondContact O-CD2 3.45Å; A361-L367 WeakPolarHBondContact O-CG 3.46Å
362	D	80.3	Confident	75.7	Confident	117 Å²	117	79.5 Å²	79.5	63%	0.626	43%	0.426	S	S	*	.	S	Bend	trans	-79.3	-16.3	173.1	-68.5	-27.1	0	0	0	111.4	P359 K364	P359-D362 PolarHBondContact O-N 3.28Å; P359-D362 VanDerWaalsContact O-N 3.08Å; D362-K364 PolarHBondContact O-N 3.46Å
363	E	83.9	Confident	77.6	Confident	72 Å²	72	72.6 Å²	72.6	34%	0.336	39%	0.39	S	S	.	.	S	Bend	trans	-82.1	121.4	179.8	-65.4	-173.6	173	0	0	112.3	K324 A361 N365 N366 L367	K324-E363 VanDerWaalsContact CD-OE1 3.32Å; K324-E363 WeakPolarHBondContact CD-OE1 3.47Å; K324-E363 WeakPolarHBondContact CE-OE1 3.37Å; K324-E363 WeakPolarHBondContact CE-OE2 3.48Å; K324-E363 IonicContact NZ-OE1 3.79Å; K324-E363 PolarHBondContact NZ-OE1 3.27Å; K324-E363 IonicContact NZ-OE2 3.7Å; K324-E363 PolarHBondContact NZ-OE2 3.14Å; A361-E363 VanDerWaalsContact C-N 3.26Å; E363-N365 VanDerWaalsContact C-N 3.27Å; E363-N365 PolarHBondContact O-N 3.38Å; E363-N366 HydrophobicContact CB-CB 4.47Å; E363-N366 PolarHBondContact O-N 3.34Å; E363-N366 PolarHBondContact OE2-ND2 3.03Å; E363-L367 PolarHBondContact O-N 3.39Å
364	K	88.2	Confident	79.5	Confident	146 Å²	146	69.8 Å²	69.8	64%	0.635	37%	0.373	S	S	*	.	H	α-helix	trans	-53.1	-42.3	-179.2	-174.6	173.3	170.2	179.1	0	113	D362 L367 E368	D362-K364 PolarHBondContact O-N 3.46Å; K364-L367 PolarHBondContact O-N 3.41Å; K364-E368 WeakPolarHBondContact CE-OE1 3.16Å; K364-E368 HydrophobicContact CG-CG 4.39Å; K364-E368 IonicContact NZ-OE1 3.64Å; K364-E368 WeakPolarHBondContact O-CB 3.33Å; K364-E368 VanDerWaalsContact O-CG 3.32Å; K364-E368 WeakPolarHBondContact O-CG 3.47Å; K364-E368 PolarHBondContact O-N 3.31Å
365	N	89.8	Confident	81.3	Confident	113 Å²	113	70.8 Å²	70.8	60%	0.604	36%	0.363	S	S	*	.	H	α-helix	trans	-63.9	-46.6	-178.5	-64.1	1.2	0	0	0	112.2	E363 L367 E368 E369	E363-N365 VanDerWaalsContact C-N 3.27Å; E363-N365 PolarHBondContact O-N 3.38Å; N365-L367 VanDerWaalsContact C-N 3.29Å; N365-L367 PolarHBondContact O-N 3.08Å; N365-E368 PolarHBondContact O-N 3.21Å; N365-E369 WeakPolarHBondContact O-CG 3.11Å; N365-E369 PolarHBondContact O-N 3.18Å
366	N	88	Confident	82.9	Confident	13 Å²	13	66.4 Å²	66.4	7%	0.07	35%	0.347	C	S	.	.	H	α-helix	trans	-67.2	-35.5	179.7	-56.9	-22.7	0	0	0	110.9	S320 I321 G360 E363 Y370	S320-N366 PolarHBondContact OG-OD1 3.5Å; I321-N366 HydrophobicContact CG1-CB 3.89Å; G360-N366 WeakPolarHBondContact O-CB 3.28Å; G360-N366 PolarHBondContact O-ND2 3.25Å; E363-N366 HydrophobicContact CB-CB 4.47Å; E363-N366 PolarHBondContact O-N 3.34Å; E363-N366 PolarHBondContact OE2-ND2 3.03Å; N366-Y370 VanDerWaalsContact O-CB 3.28Å; N366-Y370 WeakPolarHBondContact O-CB 3.12Å; N366-Y370 PolarHBondContact O-N 3.29Å
367	L	87.8	Confident	84.2	Confident	69 Å²	69	63.5 Å²	63.5	36%	0.361	33%	0.328	S	S	.	.	H	α-helix	trans	-65.3	-41	173	-74.9	179.4	0	0	0	112.3	A361 E363 K364 N365 Y370 T371	A361-L367 HydrophobicContact CB-CD2 4.35Å; A361-L367 WeakPolarHBondContact O-CD1 3.37Å; A361-L367 VanDerWaalsContact O-CD2 3.31Å; A361-L367 WeakPolarHBondContact O-CD2 3.45Å; A361-L367 WeakPolarHBondContact O-CG 3.46Å; E363-L367 PolarHBondContact O-N 3.39Å; K364-L367 PolarHBondContact O-N 3.41Å; N365-L367 VanDerWaalsContact C-N 3.29Å; N365-L367 PolarHBondContact O-N 3.08Å; L367-Y370 PolarHBondContact O-N 2.79Å; L367-T371 WeakPolarHBondContact O-CB 3.44Å; L367-T371 WeakPolarHBondContact O-CG2 3.49Å; L367-T371 PolarHBondContact O-N 3.39Å; L367-T371 PolarHBondContact O-OG1 3.02Å
368	E	90.8	Very high	85.3	Confident	96 Å²	96	66.8 Å²	66.8	45%	0.449	34%	0.337	S	S	.	.	H	α-helix	trans	-65.1	-42.9	176.4	-76.3	175.7	178.1	0	0	111.7	K364 N365 Y370 T371 S372	K364-E368 WeakPolarHBondContact CE-OE1 3.16Å; K364-E368 HydrophobicContact CG-CG 4.39Å; K364-E368 IonicContact NZ-OE1 3.64Å; K364-E368 WeakPolarHBondContact O-CB 3.33Å; K364-E368 VanDerWaalsContact O-CG 3.32Å; K364-E368 WeakPolarHBondContact O-CG 3.47Å; K364-E368 PolarHBondContact O-N 3.31Å; N365-E368 PolarHBondContact O-N 3.21Å; E368-Y370 VanDerWaalsContact C-N 3.35Å; E368-Y370 PolarHBondContact O-N 3.12Å; E368-T371 VanDerWaalsContact CA-OG1 3.32Å; E368-T371 WeakPolarHBondContact CA-OG1 3.27Å; E368-T371 PolarHBondContact O-N 2.68Å; E368-T371 PolarHBondContact O-OG1 2.93Å; E368-S372 WeakPolarHBondContact O-CB 3.41Å; E368-S372 PolarHBondContact O-N 2.89Å; E368-S372 PolarHBondContact O-OG 3.11Å
369	E	91.1	Very high	85.8	Confident	90 Å²	90	67.5 Å²	67.5	42%	0.421	35%	0.35	S	S	.	.	H	α-helix	trans	-61.9	-41.9	172.8	-72.5	-175.1	178.4	0	0	112.1	A317 N365 S372 A373	A317-E369 HydrophobicContact CB-CB 4.42Å; N365-E369 WeakPolarHBondContact O-CG 3.11Å; N365-E369 PolarHBondContact O-N 3.18Å; E369-S372 WeakPolarHBondContact CA-OG 3.47Å; E369-S372 PolarHBondContact O-OG 3.05Å; E369-A373 VanDerWaalsContact O-CB 3.24Å; E369-A373 WeakPolarHBondContact O-CB 3.5Å; E369-A373 PolarHBondContact O-N 3.11Å
370	Y	90.9	Very high	86.3	Confident	66 Å²	66	70.5 Å²	70.5	26%	0.259	36%	0.363	S	S	.	.	H	α-helix	trans	-68.1	-44.7	177.6	178.9	-100.7	0	0	0	112.3	Y314 A317 L318 I321 N366 L367 E368 A373 T374	Y314-Y370 HydrophobicContact CD2-CD2 4.49Å; Y314-Y370 HydrophobicContact CD2-CE2 4.1Å; Y314-Y370 HydrophobicContact CE2-CD2 4.04Å; Y314-Y370 AromaticContact CE2-CE2 3.25Å; Y314-Y370 HydrophobicContact CE2-CE2 3.25Å; Y314-Y370 AromaticContact CE2-CZ 3.77Å; Y314-Y370 AromaticContact CZ-CE2 3.78Å; Y314-Y370 PolarHBondContact OH-OH 3.3Å; Y314-Y370 VanDerWaalsContact OH-OH 3.08Å; A317-Y370 HydrophobicContact CB-CD2 4.41Å; L318-Y370 HydrophobicContact CD2-CD2 3.95Å; L318-Y370 HydrophobicContact CD2-CE2 3.42Å; L318-Y370 VanDerWaalsContact CD2-CE2 3.42Å; L318-Y370 HydrophobicContact CG-CD2 4.15Å; L318-Y370 HydrophobicContact CG-CE2 3.78Å; I321-Y370 HydrophobicContact CD1-CD1 4.38Å; I321-Y370 HydrophobicContact CD1-CD2 3.8Å; I321-Y370 HydrophobicContact CD1-CG 3.65Å; N366-Y370 VanDerWaalsContact O-CB 3.28Å; N366-Y370 WeakPolarHBondContact O-CB 3.12Å; N366-Y370 PolarHBondContact O-N 3.29Å; L367-Y370 PolarHBondContact O-N 2.79Å; E368-Y370 VanDerWaalsContact C-N 3.35Å; E368-Y370 PolarHBondContact O-N 3.12Å; Y370-A373 PolarHBondContact O-N 3.37Å; Y370-T374 HydrophobicContact CD1-CG2 4.2Å; Y370-T374 HydrophobicContact CD2-CG2 4.45Å; Y370-T374 HydrophobicContact CE1-CG2 3.77Å; Y370-T374 HydrophobicContact CE2-CG2 4.04Å; Y370-T374 VanDerWaalsContact O-CG2 3.32Å; Y370-T374 WeakPolarHBondContact O-CG2 3.23Å; Y370-T374 PolarHBondContact O-N 3.03Å; Y370-T374 PolarHBondContact O-OG1 2.81Å
371	T	90.4	Very high	85.8	Confident	53 Å²	53	74 Å²	74	33%	0.325	38%	0.382	S	S	.	.	H	α-helix	trans	-63.4	-46.6	178.7	51.6	0	0	0	0	111.6	L367 E368 A373 T374 R375	L367-T371 WeakPolarHBondContact O-CB 3.44Å; L367-T371 WeakPolarHBondContact O-CG2 3.49Å; L367-T371 PolarHBondContact O-N 3.39Å; L367-T371 PolarHBondContact O-OG1 3.02Å; E368-T371 VanDerWaalsContact CA-OG1 3.32Å; E368-T371 WeakPolarHBondContact CA-OG1 3.27Å; E368-T371 PolarHBondContact O-N 2.68Å; E368-T371 PolarHBondContact O-OG1 2.93Å; T371-A373 PolarHBondContact O-N 3.38Å; T371-T374 WeakPolarHBondContact CA-OG1 3.45Å; T371-T374 PolarHBondContact O-N 3.37Å; T371-T374 PolarHBondContact O-OG1 2.73Å; T371-R375 WeakPolarHBondContact O-CG 3.27Å; T371-R375 PolarHBondContact O-N 3.1Å
372	S	91.2	Very high	84.7	Confident	52 Å²	52	78.5 Å²	78.5	36%	0.364	41%	0.406	S	S	.	.	H	α-helix	trans	-59.4	-45.8	173.7	54	0	0	0	0	112.1	E368 E369 T374 R375 N376	E368-S372 WeakPolarHBondContact O-CB 3.41Å; E368-S372 PolarHBondContact O-N 2.89Å; E368-S372 PolarHBondContact O-OG 3.11Å; E369-S372 WeakPolarHBondContact CA-OG 3.47Å; E369-S372 PolarHBondContact O-OG 3.05Å; S372-T374 VanDerWaalsContact C-N 3.34Å; S372-T374 PolarHBondContact O-N 2.67Å; S372-R375 PolarHBondContact O-N 3Å; S372-N376 WeakPolarHBondContact O-CB 3.28Å; S372-N376 PolarHBondContact O-N 2.76Å; S372-N376 PolarHBondContact O-ND2 2.91Å
373	A	91.1	Very high	83.3	Confident	4 Å²	4	81.3 Å²	81.3	3%	0.033	42%	0.416	C	S	.	.	H	α-helix	trans	-63.5	-37.3	177	0	0	0	0	0	113	Q313 A317 E369 Y370 T371 L377	Q313-A373 HydrophobicContact CB-CB 4.29Å; A317-A373 HydrophobicContact CB-CB 4.06Å; E369-A373 VanDerWaalsContact O-CB 3.24Å; E369-A373 WeakPolarHBondContact O-CB 3.5Å; E369-A373 PolarHBondContact O-N 3.11Å; Y370-A373 PolarHBondContact O-N 3.37Å; T371-A373 PolarHBondContact O-N 3.38Å; A373-L377 WeakPolarHBondContact O-CB 2.95Å; A373-L377 PolarHBondContact O-N 3.12Å
374	T	89.9	Confident	81.5	Confident	30 Å²	30	85.8 Å²	85.8	18%	0.184	44%	0.44	C	S	.	.	H	α-helix	trans	-66.7	-41.3	174.4	53.8	0	0	0	0	112.5	Y314 Y370 T371 S372 L377 F378	Y314-T374 HydrophobicContact CD2-CG2 3.84Å; Y314-T374 HydrophobicContact CE2-CG2 3.44Å; Y314-T374 VanDerWaalsContact CE2-CG2 3.44Å; Y370-T374 HydrophobicContact CD1-CG2 4.2Å; Y370-T374 HydrophobicContact CD2-CG2 4.45Å; Y370-T374 HydrophobicContact CE1-CG2 3.77Å; Y370-T374 HydrophobicContact CE2-CG2 4.04Å; Y370-T374 VanDerWaalsContact O-CG2 3.32Å; Y370-T374 WeakPolarHBondContact O-CG2 3.23Å; Y370-T374 PolarHBondContact O-N 3.03Å; Y370-T374 PolarHBondContact O-OG1 2.81Å; T371-T374 WeakPolarHBondContact CA-OG1 3.45Å; T371-T374 PolarHBondContact O-N 3.37Å; T371-T374 PolarHBondContact O-OG1 2.73Å; S372-T374 VanDerWaalsContact C-N 3.34Å; S372-T374 PolarHBondContact O-N 2.67Å; T374-L377 PolarHBondContact O-N 2.76Å; T374-F378 VanDerWaalsContact O-CD2 3.25Å; T374-F378 WeakPolarHBondContact O-CD2 3.35Å; T374-F378 PolarHBondContact O-N 2.83Å; T374-F378 VanDerWaalsContact O-N 3.11Å
375	R	89.3	Confident	79.1	Confident	124 Å²	124	87.7 Å²	87.7	47%	0.468	45%	0.451	S	S	.	.	H	α-helix	trans	-64.7	-43.2	177.7	-72.7	-175.5	180	125.3	-0.3	111.2	T371 S372 L377 F378 G379 L380 D381	T371-R375 WeakPolarHBondContact O-CG 3.27Å; T371-R375 PolarHBondContact O-N 3.1Å; S372-R375 PolarHBondContact O-N 3Å; R375-L377 VanDerWaalsContact C-N 3.3Å; R375-L377 PolarHBondContact O-N 3.21Å; R375-F378 CarbonylContact O-C 3.45Å; R375-F378 PolarHBondContact O-N 2.98Å; R375-G379 PolarHBondContact O-N 3.14Å; R375-L380 HydrophobicContact CB-CB 4.2Å; R375-L380 HydrophobicContact CG-CB 4.3Å; R375-L380 PolarHBondContact O-N 3.18Å; R375-D381 VanDerWaalsContact CB-OD1 3.3Å; R375-D381 WeakPolarHBondContact CB-OD1 3.37Å; R375-D381 WeakPolarHBondContact CB-OD2 3.42Å; R375-D381 VanDerWaalsContact CD-OD1 3.27Å; R375-D381 WeakPolarHBondContact CD-OD1 3.31Å
376	N	88.7	Confident	76.5	Confident	73 Å²	73	90.4 Å²	90.4	39%	0.39	46%	0.46	S	S	.	.	H	α-helix	trans	-57.5	-42.3	172.6	-77.6	-27.1	0	0	0	111.9	Q313 S372 F378 G379 D381	Q313-N376 PolarHBondContact OE1-ND2 3.46Å; S372-N376 WeakPolarHBondContact O-CB 3.28Å; S372-N376 PolarHBondContact O-N 2.76Å; S372-N376 PolarHBondContact O-ND2 2.91Å; N376-F378 PolarHBondContact O-N 3Å; N376-G379 PolarHBondContact O-N 3.24Å; N376-D381 PolarHBondContact N-OD2 3.17Å; N376-D381 VanDerWaalsContact N-OD2 3.15Å; N376-D381 PolarHBondContact OD1-OD2 3.07Å
377	L	86.1	Confident	74	Confident	37 Å²	37	95 Å²	95	19%	0.194	49%	0.494	C	S	.	.	H	α-helix	trans	-65	-38.6	-179.4	-173.8	151.1	0	0	0	112.8	L278 Y314 A373 T374 R375	L278-L377 HydrophobicContact CD1-CD1 4.14Å; L278-L377 HydrophobicContact CD2-CD1 3.83Å; L278-L377 HydrophobicContact CD2-CD2 3.75Å; L278-L377 HydrophobicContact CD2-CG 4.39Å; Y314-L377 HydrophobicContact CD1-CD1 4.07Å; Y314-L377 HydrophobicContact CD2-CD1 4.28Å; Y314-L377 HydrophobicContact CG-CD1 3.82Å; A373-L377 WeakPolarHBondContact O-CB 2.95Å; A373-L377 PolarHBondContact O-N 3.12Å; T374-L377 PolarHBondContact O-N 2.76Å; R375-L377 VanDerWaalsContact C-N 3.3Å; R375-L377 PolarHBondContact O-N 3.21Å
378	F	84.5	Confident	71.4	Confident	134 Å²	134	98.8 Å²	98.8	59%	0.588	51%	0.514	S	S	*	.	H	α-helix	trans	-92.3	-1.4	178.3	-68.7	-70	0	0	0	114.1	T374 R375 N376 L380	T374-F378 VanDerWaalsContact O-CD2 3.25Å; T374-F378 WeakPolarHBondContact O-CD2 3.35Å; T374-F378 PolarHBondContact O-N 2.83Å; T374-F378 VanDerWaalsContact O-N 3.11Å; R375-F378 CarbonylContact O-C 3.45Å; R375-F378 PolarHBondContact O-N 2.98Å; N376-F378 PolarHBondContact O-N 3Å; F378-L380 HydrophobicContact CB-CD1 4.1Å; F378-L380 HydrophobicContact CB-CG 3.99Å
379	G	80.8	Confident	68.8	Low	44 Å²	44	104.2 Å²	104.2	45%	0.454	55%	0.554	S	S	.	*	T	Hydrogen-bonded Turn	trans	69.1	30.4	-179.6	0	0	0	0	0	114.1	R375 N376 T382	R375-G379 PolarHBondContact O-N 3.14Å; N376-G379 PolarHBondContact O-N 3.24Å; G379-T382 PolarHBondContact O-OG1 3.28Å
380	L	78.5	Confident	67.7	Low	118 Å²	118	105 Å²	105	62%	0.618	56%	0.56	S	S	*	*	G	3₁₀ helix	trans	-84.4	-6.7	-176.6	-64.7	172.9	0	0	0	113.9	R375 F378 T382	R375-L380 HydrophobicContact CB-CB 4.2Å; R375-L380 HydrophobicContact CG-CB 4.3Å; R375-L380 PolarHBondContact O-N 3.18Å; F378-L380 HydrophobicContact CB-CD1 4.1Å; F378-L380 HydrophobicContact CB-CG 3.99Å; L380-T382 VanDerWaalsContact C-N 3.29Å; L380-T382 PolarHBondContact O-N 2.96Å
381	D	64	Low	66.5	Low	74 Å²	74	107 Å²	107	40%	0.396	58%	0.576	S	S	.	*	G	3₁₀ helix	trans	-84	4.8	-174.5	-69.1	-44.2	0	0	0	114.2	R375 N376	R375-D381 VanDerWaalsContact CB-OD1 3.3Å; R375-D381 WeakPolarHBondContact CB-OD1 3.37Å; R375-D381 WeakPolarHBondContact CB-OD2 3.42Å; R375-D381 VanDerWaalsContact CD-OD1 3.27Å; R375-D381 WeakPolarHBondContact CD-OD1 3.31Å; N376-D381 PolarHBondContact N-OD2 3.17Å; N376-D381 VanDerWaalsContact N-OD2 3.15Å; N376-D381 PolarHBondContact OD1-OD2 3.07Å
382	T	54.3	Low	65.2	Low	123 Å²	123	110 Å²	110	76%	0.755	59%	0.59	S	S	*	*	G	3₁₀ helix	trans	-88.9	10.6	-175.5	49.7	0	0	0	0	116.5	G379 L380	G379-T382 PolarHBondContact O-OG1 3.28Å; L380-T382 VanDerWaalsContact C-N 3.29Å; L380-T382 PolarHBondContact O-N 2.96Å
383	E	50	Low	63.6	Low	177 Å²	177	113.4 Å²	113.4	83%	0.827	60%	0.603	S	S	*	*	S	Bend	trans	-125.9	6.3	-174.7	-70.2	-171.4	173	0	0	117.1	Q385	E383-Q385 PolarHBondContact O-N 3.08Å
384	I	46.1	Very low	61.9	Low	165 Å²	165	120.3 Å²	120.3	85%	0.846	64%	0.639	S	S	*	*			trans	-103.3	60.8	174	-47.7	177.5	0	0	0	110.1	Q386	I384-Q386 PolarHBondContact O-N 3.17Å
385	Q	37	Very low	60.1	Low	187 Å²	187	126.3 Å²	126.3	87%	0.874	67%	0.669	S	S	*	*			trans	-81.6	105.7	152.7	-76.5	-164.8	-6.8	0	0	107.8	E383 S387	E383-Q385 PolarHBondContact O-N 3.08Å; Q385-S387 PolarHBondContact O-N 3.49Å
386	Q	35.5	Very low	58	Low	169 Å²	169	126.4 Å²	126.4	79%	0.79	68%	0.684	S	S	*	*			trans	-8.5	93.6	160.2	-64.6	170.4	-13.5	0	0	115.1	I384 N388	I384-Q386 PolarHBondContact O-N 3.17Å; Q386-N388 VanDerWaalsContact C-N 3.35Å; Q386-N388 PolarHBondContact O-N 3.49Å
387	S	35.3	Very low	55.6	Low	111 Å²	111	130.5 Å²	130.5	78%	0.776	71%	0.706	S	S	*	*			trans	-81.6	90	152.6	61	0	0	0	0	107.4	Q385 V389	Q385-S387 PolarHBondContact O-N 3.49Å; S387-V389 PolarHBondContact O-N 2.83Å
388	N	34	Very low	53.1	Low	148 Å²	148	138.3 Å²	138.3	79%	0.791	75%	0.749	S	S	*	*			trans	-61.7	108.5	157.2	-77.9	-30.7	0	0	0	108	Q386	Q386-N388 VanDerWaalsContact C-N 3.35Å; Q386-N388 PolarHBondContact O-N 3.49Å
389	V	37	Very low	50.2	Low	210 Å²	210	138.7 Å²	138.7	100%	1.273	76%	0.764	S	S	*	*			trans	-138.7	0	152.1	177.9	0	0	0	0	107.3	S387	S387-V389 PolarHBondContact O-N 2.83Å

Retrieved 389 of 389 residues in 139.4 ms (Link to these results)

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