A0A3Q0KEK4_SCHMA Loading...

Putative alpha-amylase

AlphaFold DB , UniProt , Accession A0A3Q0KEK4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 640 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.9	Very low	33.6	Very low	247 Å²	247	140.5 Å²	140.5	100%	1.217	86%	0.862	S	S	*	*				0	111	0	-78.2	174.5	168.4	0	0	107.2	S3	M1-S3 PolarHBondContact O-N 3.42Å
2	S	35.5	Very low	33.3	Very low	119 Å²	119	137.6 Å²	137.6	83%	0.832	85%	0.849	S	S	*	*			trans	-79.6	111.3	-171.3	47.7	0	0	0	0	111.3	S4	S2-S4 PolarHBondContact O-N 3.02Å
3	S	33	Very low	33.6	Very low	120 Å²	120	138.9 Å²	138.9	84%	0.839	85%	0.848	S	S	*	*			trans	-87.2	96.1	168.7	59.4	0	0	0	0	109.3	M1 G5	M1-S3 PolarHBondContact O-N 3.42Å; S3-G5 PolarHBondContact O-N 2.67Å
4	S	35.4	Very low	33.7	Very low	108 Å²	108	142.3 Å²	142.3	76%	0.755	85%	0.849	S	S	*	*			trans	-74.6	115	168.3	43.3	0	0	0	0	109.3	S2 T6	S2-S4 PolarHBondContact O-N 3.02Å; S4-T6 PolarHBondContact O-N 3.1Å
5	G	32.7	Very low	33.9	Very low	79 Å²	79	145.8 Å²	145.8	81%	0.814	85%	0.854	S	S	*	*			trans	-68.5	121.5	174.2	0	0	0	0	0	110.9	S3 N7	S3-G5 PolarHBondContact O-N 2.67Å; G5-N7 PolarHBondContact O-N 3.32Å
6	T	33.5	Very low	34.2	Very low	139 Å²	139	143.4 Å²	143.4	85%	0.853	84%	0.841	S	S	*	*			trans	-80.7	111.1	174.2	40.3	0	0	0	0	109.5	S4 G8	S4-T6 PolarHBondContact O-N 3.1Å; T6-G8 PolarHBondContact O-N 3.15Å; T6-G8 VanDerWaalsContact O-N 3.16Å
7	N	33.9	Very low	34.2	Very low	167 Å²	167	139.3 Å²	139.3	89%	0.893	84%	0.836	S	S	*	*			trans	-69	104.7	172.4	-116.2	-12.3	0	0	0	109.2	G5 R9	G5-N7 PolarHBondContact O-N 3.32Å; N7-R9 PolarHBondContact O-N 2.79Å; N7-R9 VanDerWaalsContact O-N 3.08Å
8	G	30.3	Very low	34.1	Very low	79 Å²	79	141.6 Å²	141.6	81%	0.814	83%	0.834	S	S	*	*			trans	-72.1	93.3	173.8	0	0	0	0	0	110.9	T6	T6-G8 PolarHBondContact O-N 3.15Å; T6-G8 VanDerWaalsContact O-N 3.16Å
9	R	31.1	Very low	34.1	Very low	238 Å²	238	142.2 Å²	142.2	90%	0.898	83%	0.832	S	S	*	*			trans	-97.2	111.1	167.6	-138.1	177.6	-168.3	176.6	2.4	107.6	N7	N7-R9 PolarHBondContact O-N 2.79Å; N7-R9 VanDerWaalsContact O-N 3.08Å
10	V	32.9	Very low	34.4	Very low	128 Å²	128	141.6 Å²	141.6	78%	0.776	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-65.1	120.8	177.3	178.8	0	0	0	0	108.6	C12	V10-C12 PolarHBondContact O-N 3.13Å
11	P	35.8	Very low	34.5	Very low	121 Å²	121	141.3 Å²	141.3	79%	0.786	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-75.4	120.3	176.8	14.1	-4	0	0	0	109.4
12	C	29.9	Very low	34.4	Very low	106 Å²	106	135.2 Å²	135.2	72%	0.716	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-83.9	152.7	161.3	-61.2	0	0	0	0	108	V10	V10-C12 PolarHBondContact O-N 3.13Å
13	D	36.4	Very low	34.4	Very low	155 Å²	155	138.3 Å²	138.3	83%	0.829	81%	0.813	S	S	*	*			trans	90.2	60.4	171.9	-47.3	-22.7	0	0	0	116.2
14	E	36.3	Very low	34.8	Very low	186 Å²	186	139.7 Å²	139.7	87%	0.869	81%	0.811	S	S	*	*			trans	-91	94.1	147	-98.2	-177.8	165.7	0	0	108.6	V16	E14-V16 PolarHBondContact O-N 2.99Å; E14-V16 VanDerWaalsContact O-N 3.08Å
15	E	36.5	Very low	34.5	Very low	195 Å²	195	139.8 Å²	139.8	91%	0.911	81%	0.812	S	S	*	*			trans	-65.8	99.7	163.4	-81.2	-174.4	147.9	0	0	108.7	G17	E15-G17 PolarHBondContact O-N 2.87Å
16	V	38.1	Very low	34.9	Very low	107 Å²	107	141 Å²	141	65%	0.648	81%	0.805	S	S	*	*			trans	-71.1	98.4	174.4	-177.6	0	0	0	0	108.6	E14 F18	E14-V16 PolarHBondContact O-N 2.99Å; E14-V16 VanDerWaalsContact O-N 3.08Å; V16-F18 HydrophobicContact CB-CE2 4.45Å; V16-F18 HydrophobicContact CG1-CD2 4.3Å; V16-F18 HydrophobicContact CG1-CE2 4.05Å; V16-F18 WeakPolarHBondContact O-CD2 3.47Å; V16-F18 PolarHBondContact O-N 2.97Å
17	G	33.8	Very low	35	Very low	74 Å²	74	140.9 Å²	140.9	76%	0.763	80%	0.799	S	S	*	*			trans	-63	98.5	172.4	0	0	0	0	0	111.4	E15 L19	E15-G17 PolarHBondContact O-N 2.87Å; G17-L19 PolarHBondContact O-N 3.42Å
18	F	32.7	Very low	35.1	Very low	180 Å²	180	139.5 Å²	139.5	79%	0.789	80%	0.797	S	S	*	*			trans	-75.1	98.2	165.9	-78.8	-94.4	0	0	0	108.4	V16	V16-F18 HydrophobicContact CB-CE2 4.45Å; V16-F18 HydrophobicContact CG1-CD2 4.3Å; V16-F18 HydrophobicContact CG1-CE2 4.05Å; V16-F18 WeakPolarHBondContact O-CD2 3.47Å; V16-F18 PolarHBondContact O-N 2.97Å
19	L	33.7	Very low	35.2	Very low	154 Å²	154	142.6 Å²	142.6	81%	0.806	80%	0.795	S	S	*	*	S	Bend	trans	142.4	123.9	145.5	-73.9	159	0	0	0	111.2	G17 T21	G17-L19 PolarHBondContact O-N 3.42Å; L19-T21 PolarHBondContact O-N 3.31Å
20	P	41	Very low	35.4	Very low	130 Å²	130	138.9 Å²	138.9	84%	0.844	79%	0.788	S	S	*	*			trans	-70.6	122.6	177.5	26.3	-30.3	0	0	0	111.1	S22	P20-S22 PolarHBondContact O-N 3.08Å
21	T	36.2	Very low	35.5	Very low	136 Å²	136	139.9 Å²	139.9	83%	0.834	79%	0.789	S	S	*	*			trans	-70.7	113.1	173.5	48	0	0	0	0	110.5	L19 K23	L19-T21 PolarHBondContact O-N 3.31Å; T21-K23 PolarHBondContact O-N 3.39Å
22	S	33.9	Very low	35.6	Very low	119 Å²	119	143.6 Å²	143.6	83%	0.832	80%	0.795	S	S	*	*			trans	-82.1	109.5	170.8	60.6	0	0	0	0	111	P20	P20-S22 PolarHBondContact O-N 3.08Å
23	K	36.4	Very low	36	Very low	183 Å²	183	144 Å²	144	80%	0.796	81%	0.807	S	S	*	*			trans	-154.7	130.5	167.1	-79.9	-170.1	179.9	-179.7	0	104.6	T21	T21-K23 PolarHBondContact O-N 3.39Å
24	D	39.7	Very low	36.3	Very low	149 Å²	149	139.9 Å²	139.9	80%	0.797	80%	0.801	S	S	*	*			cis	-149.8	148.6	16.7	-77.5	-50.5	0	0	0	108.8
25	S	29.8	Very low	36.6	Very low	111 Å²	111	139.4 Å²	139.4	78%	0.776	80%	0.798	S	S	*	*			trans	-63.8	172.5	159.8	41.5	0	0	0	0	112.2
26	P	41.1	Very low	37.1	Very low	103 Å²	103	139.5 Å²	139.5	67%	0.669	80%	0.796	S	S	*	*			cis	-140.9	-170.4	15.6	37.2	-13.8	0	0	0	115.3
27	D	36.1	Very low	37.7	Very low	138 Å²	138	140.1 Å²	140.1	74%	0.738	80%	0.796	S	S	*	*			trans	81.7	92.7	157.8	-55.3	-24.1	0	0	0	118.8
28	T	35.7	Very low	38.4	Very low	138 Å²	138	143.1 Å²	143.1	85%	0.847	80%	0.799	S	S	*	*				175.3	120.4	103.4	29.2	0	0	0	0	112
29	N	33.1	Very low	39.4	Very low	143 Å²	143	145.2 Å²	145.2	77%	0.765	80%	0.803	S	S	*	*			trans	31.6	125.2	148.6	-75	-9.3	0	0	0	122.9
30	E	34.6	Very low	40.8	Very low	161 Å²	161	148 Å²	148	75%	0.752	80%	0.803	S	S	*	*			trans	88.5	101	136.2	-69.5	176.4	-171.2	0	0	119.6
31	N	34.3	Very low	42.1	Very low	149 Å²	149	149.3 Å²	149.3	80%	0.797	80%	0.803	S	S	*	*			trans	68.5	73.8	133.7	-63.2	-21	0	0	0	119.4
32	E	38.4	Very low	43.9	Very low	198 Å²	198	147.9 Å²	147.9	93%	0.925	79%	0.789	S	S	*	*			trans	-137.7	109.4	133	-74.9	-165.7	161.1	0	0	110.2	G34	E32-G34 PolarHBondContact O-N 3.23Å
33	A	38.7	Very low	45.9	Very low	115 Å²	115	144.6 Å²	144.6	95%	0.95	76%	0.764	S	S	*	*			trans	-77	81.9	179	0	0	0	0	0	110.8
34	G	43	Very low	47.8	Very low	68 Å²	68	144.8 Å²	144.8	70%	0.701	76%	0.76	S	S	*	*			trans	-91.1	101.8	167	0	0	0	0	0	111.1	E32 K36	E32-G34 PolarHBondContact O-N 3.23Å; G34-K36 PolarHBondContact O-N 2.86Å
35	Q	42.3	Very low	49.5	Very low	176 Å²	176	143.9 Å²	143.9	82%	0.822	75%	0.751	S	S	*	*			trans	-62.2	109.5	178.9	-168.4	170.1	-13.9	0	0	111.1	D37	Q35-D37 PolarHBondContact O-N 2.95Å
36	K	45.7	Very low	51.7	Low	197 Å²	197	141.1 Å²	141.1	86%	0.857	73%	0.727	S	S	*	*			trans	-82.2	95.5	176	-86.7	179.1	174.1	174	0	110.4	G34 T38	G34-K36 PolarHBondContact O-N 2.86Å; K36-T38 PolarHBondContact O-N 2.89Å
37	D	50.6	Low	52.9	Low	121 Å²	121	138.6 Å²	138.6	65%	0.647	71%	0.708	S	S	*	*			trans	-68.8	119.2	170.8	-74.7	-26.3	0	0	0	110.6	Q35	Q35-D37 PolarHBondContact O-N 2.95Å
38	T	49.2	Very low	54.7	Low	137 Å²	137	137.6 Å²	137.6	84%	0.84	70%	0.7	S	S	*	*			trans	-90.5	112.4	-179.2	-22.6	0	0	0	0	108.7	K36 R40	K36-T38 PolarHBondContact O-N 2.89Å; T38-R40 PolarHBondContact O-N 3.15Å
39	Y	54.3	Low	56.5	Low	223 Å²	223	136 Å²	136	88%	0.875	68%	0.683	S	S	*	*			trans	-66.7	98.5	-177.1	-61.3	-91.6	0	0	0	111.3
40	R	62.3	Low	58.3	Low	212 Å²	212	131.6 Å²	131.6	80%	0.8	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-74.3	126.2	175	-173.7	176.5	173.7	179	-3	110	T38	T38-R40 PolarHBondContact O-N 3.15Å
41	L	68.6	Low	59.8	Low	159 Å²	159	126 Å²	126	83%	0.832	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-65.7	138.7	173.1	-68.2	164.7	0	0	0	110.6
42	L	74	Confident	61.5	Low	106 Å²	106	123.3 Å²	123.3	56%	0.555	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-69.5	132	179.7	-74.3	97.2	0	0	0	111.3	D46 L50	L42-D46 HydrophobicContact CB-CB 4.03Å; L42-D46 HydrophobicContact CD2-CB 3.97Å; L42-D46 HydrophobicContact CG-CB 4.23Å; L42-L50 HydrophobicContact CD2-CD2 4.46Å
43	T	76.7	Confident	63	Low	50 Å²	50	122.9 Å²	122.9	31%	0.307	62%	0.617	S	S	.	*	P	Polyproline II helix	trans	-80.2	173.4	173.2	61.8	0	0	0	0	112	E45 D46 L47	T43-E45 VanDerWaalsContact C-N 3.3Å; T43-E45 PolarHBondContact O-N 3.29Å; T43-D46 WeakPolarHBondContact CB-OD2 3.46Å; T43-D46 PolarHBondContact N-OD2 2.87Å; T43-D46 PolarHBondContact O-N 3.5Å; T43-D46 PolarHBondContact OG1-N 3.36Å; T43-D46 PolarHBondContact OG1-OD2 3.46Å; T43-L47 PolarHBondContact O-N 3.44Å
44	R	75.5	Confident	64.8	Low	187 Å²	187	122.4 Å²	122.4	71%	0.706	60%	0.595	S	S	*	*	H	α-helix	trans	-60.2	-41.6	173.3	-177.4	-174.9	176.5	-141.7	0.8	111.1	D46 L47 M48	R44-D46 VanDerWaalsContact C-N 3.35Å; R44-L47 PolarHBondContact O-N 2.88Å; R44-M48 HydrophobicContact CG-SD 4.48Å; R44-M48 WeakPolarHBondContact O-CG 3.43Å; R44-M48 PolarHBondContact O-N 3.29Å
45	E	75.4	Confident	66.2	Low	129 Å²	129	123 Å²	123	60%	0.603	59%	0.587	S	S	*	*	H	α-helix	trans	-63.2	-41.7	175.9	-66.5	82.6	-160.6	0	0	111.4	T43 L47 M48 Q49	T43-E45 VanDerWaalsContact C-N 3.3Å; T43-E45 PolarHBondContact O-N 3.29Å; E45-L47 VanDerWaalsContact C-N 3.34Å; E45-L47 PolarHBondContact O-N 3.02Å; E45-M48 PolarHBondContact O-N 3.26Å; E45-Q49 PolarHBondContact O-N 2.81Å
46	D	75.3	Confident	67.9	Low	54 Å²	54	121.2 Å²	121.2	29%	0.289	58%	0.583	S	S	.	*	H	α-helix	trans	-63.2	-40.3	177.8	-59.9	-42.1	0	0	0	111.6	L42 T43 R44 Q49 L50	L42-D46 HydrophobicContact CB-CB 4.03Å; L42-D46 HydrophobicContact CD2-CB 3.97Å; L42-D46 HydrophobicContact CG-CB 4.23Å; T43-D46 WeakPolarHBondContact CB-OD2 3.46Å; T43-D46 PolarHBondContact N-OD2 2.87Å; T43-D46 PolarHBondContact O-N 3.5Å; T43-D46 PolarHBondContact OG1-N 3.36Å; T43-D46 PolarHBondContact OG1-OD2 3.46Å; R44-D46 VanDerWaalsContact C-N 3.35Å; D46-Q49 PolarHBondContact O-N 2.94Å; D46-L50 WeakPolarHBondContact O-CB 3.48Å; D46-L50 PolarHBondContact O-N 2.82Å
47	L	67.8	Low	69.3	Low	50 Å²	50	115.9 Å²	115.9	26%	0.262	56%	0.557	S	S	.	*	H	α-helix	trans	-64	-44.1	175.1	-83.1	161.7	0	0	0	112.1	T43 R44 E45 Q49 L50 D51 W57	T43-L47 PolarHBondContact O-N 3.44Å; R44-L47 PolarHBondContact O-N 2.88Å; E45-L47 VanDerWaalsContact C-N 3.34Å; E45-L47 PolarHBondContact O-N 3.02Å; L47-Q49 VanDerWaalsContact C-N 3.33Å; L47-Q49 PolarHBondContact O-N 3.41Å; L47-L50 PolarHBondContact O-N 3.42Å; L47-D51 PolarHBondContact O-N 2.86Å; L47-W57 HydrophobicContact CD2-CH2 3.54Å; L47-W57 HydrophobicContact CD2-CZ3 3.69Å
48	M	73.2	Confident	70.5	Confident	116 Å²	116	113.2 Å²	113.2	57%	0.571	54%	0.542	S	S	*	.	H	α-helix	trans	-65.1	-37.2	175.8	-71.5	-179.1	64.4	0	0	111.8	R44 E45 S52	R44-M48 HydrophobicContact CG-SD 4.48Å; R44-M48 WeakPolarHBondContact O-CG 3.43Å; R44-M48 PolarHBondContact O-N 3.29Å; E45-M48 PolarHBondContact O-N 3.26Å; M48-S52 PolarHBondContact O-N 3.23Å; M48-S52 VanDerWaalsContact O-N 3.1Å
49	Q	73.1	Confident	72.1	Confident	106 Å²	106	115.9 Å²	115.9	50%	0.495	54%	0.537	S	S	.	.	H	α-helix	trans	-65.8	-42.3	172.3	-98.9	-169.9	4.5	0	0	111.8	E45 D46 L47 D51 S52 R53	E45-Q49 PolarHBondContact O-N 2.81Å; D46-Q49 PolarHBondContact O-N 2.94Å; L47-Q49 VanDerWaalsContact C-N 3.33Å; L47-Q49 PolarHBondContact O-N 3.41Å; Q49-D51 VanDerWaalsContact C-N 3.34Å; Q49-S52 PolarHBondContact O-N 3.43Å; Q49-S52 VanDerWaalsContact O-N 3.15Å; Q49-S52 PolarHBondContact O-OG 2.84Å; Q49-R53 WeakPolarHBondContact O-CG 3.34Å; Q49-R53 PolarHBondContact O-N 2.86Å
50	L	70.5	Confident	73.5	Confident	49 Å²	49	110.1 Å²	110.1	26%	0.257	52%	0.521	S	S	.	.	H	α-helix	trans	-62.6	-42.8	177.3	-165.4	72.8	0	0	0	110.7	L42 D46 L47 S52 R53 E54 W57	L42-L50 HydrophobicContact CD2-CD2 4.46Å; D46-L50 WeakPolarHBondContact O-CB 3.48Å; D46-L50 PolarHBondContact O-N 2.82Å; L47-L50 PolarHBondContact O-N 3.42Å; L50-S52 VanDerWaalsContact C-N 3.26Å; L50-S52 PolarHBondContact O-N 2.86Å; L50-R53 PolarHBondContact O-N 3.27Å; L50-R53 VanDerWaalsContact O-N 3.13Å; L50-E54 PolarHBondContact O-N 3.26Å; L50-W57 HydrophobicContact CD2-CD2 4.15Å; L50-W57 HydrophobicContact CD2-CE3 4.13Å; L50-W57 HydrophobicContact CD2-CZ3 4.4Å
51	D	66.2	Low	74.6	Confident	44 Å²	44	106.1 Å²	106.1	24%	0.235	51%	0.506	C	S	.	.	H	α-helix	trans	-59.8	-36.1	174.2	-75	-20.8	0	0	0	112.1	L47 Q49	L47-D51 PolarHBondContact O-N 2.86Å; Q49-D51 VanDerWaalsContact C-N 3.34Å
52	S	70.2	Confident	75.3	Confident	93 Å²	93	106 Å²	106	65%	0.65	49%	0.494	S	S	*	.	H	α-helix	trans	-73.2	-29.5	176.2	77.2	0	0	0	0	113.8	M48 Q49 L50	M48-S52 PolarHBondContact O-N 3.23Å; M48-S52 VanDerWaalsContact O-N 3.1Å; Q49-S52 PolarHBondContact O-N 3.43Å; Q49-S52 VanDerWaalsContact O-N 3.15Å; Q49-S52 PolarHBondContact O-OG 2.84Å; L50-S52 VanDerWaalsContact C-N 3.26Å; L50-S52 PolarHBondContact O-N 2.86Å
53	R	70.7	Confident	76.2	Confident	188 Å²	188	102.7 Å²	102.7	71%	0.709	49%	0.486	S	S	*	.	H	α-helix	trans	-87.5	-36.8	-179.8	-71.6	-176.9	-177.3	-171.9	3.8	112.5	Q49 L50 P55	Q49-R53 WeakPolarHBondContact O-CG 3.34Å; Q49-R53 PolarHBondContact O-N 2.86Å; L50-R53 PolarHBondContact O-N 3.27Å; L50-R53 VanDerWaalsContact O-N 3.13Å; R53-P55 WeakPolarHBondContact O-CD 3.43Å
54	E	75.6	Confident	76.9	Confident	105 Å²	105	105.1 Å²	105.1	49%	0.491	50%	0.497	S	S	.	.			trans	-126.4	79	-174.1	-65.7	-160.6	-177.6	0	0	111.7	L50 L56 W57	L50-E54 PolarHBondContact O-N 3.26Å; E54-L56 PolarHBondContact O-N 2.66Å; E54-W57 HydrophobicContact CB-CB 4.22Å; E54-W57 PolarHBondContact O-N 3.25Å
55	P	72.9	Confident	77.7	Confident	82 Å²	82	101.5 Å²	101.5	53%	0.532	49%	0.486	S	S	.	.	H	α-helix	trans	-61.6	-17.3	178.7	24.3	-34.2	0	0	0	113.6	R53 R59	R53-P55 WeakPolarHBondContact O-CD 3.43Å; P55-R59 PolarHBondContact O-N 3.47Å
56	L	78.7	Confident	78.6	Confident	138 Å²	138	99.7 Å²	99.7	72%	0.723	48%	0.48	S	S	*	.	H	α-helix	trans	-68.2	-38.7	172.5	-77.8	161.8	0	0	0	112.2	E54 R59 L60	E54-L56 PolarHBondContact O-N 2.66Å; L56-R59 PolarHBondContact O-N 2.99Å; L56-L60 PolarHBondContact O-N 3.47Å
57	W	73.8	Confident	79.5	Confident	85 Å²	85	101.7 Å²	101.7	32%	0.322	49%	0.49	S	S	.	.	H	α-helix	trans	-68.1	-39.7	-179.1	-168	82.8	0	0	0	111.6	L47 L50 E54 R59 L60 R61	L47-W57 HydrophobicContact CD2-CH2 3.54Å; L47-W57 HydrophobicContact CD2-CZ3 3.69Å; L50-W57 HydrophobicContact CD2-CD2 4.15Å; L50-W57 HydrophobicContact CD2-CE3 4.13Å; L50-W57 HydrophobicContact CD2-CZ3 4.4Å; E54-W57 HydrophobicContact CB-CB 4.22Å; E54-W57 PolarHBondContact O-N 3.25Å; W57-R59 VanDerWaalsContact C-N 3.34Å; W57-R59 PolarHBondContact O-N 3.1Å; W57-L60 PolarHBondContact O-N 2.83Å; W57-R61 WeakPolarHBondContact O-CB 3.26Å; W57-R61 PolarHBondContact O-N 2.87Å
58	L	76.2	Confident	80.8	Confident	64 Å²	64	105 Å²	105	34%	0.335	50%	0.502	S	S	.	.	H	α-helix	trans	-57.1	-47	172.9	-176.1	67.7	0	0	0	111.3	R61 W62	L58-R61 PolarHBondContact O-N 3.34Å; L58-W62 VanDerWaalsContact O-CD1 3.26Å; L58-W62 PolarHBondContact O-N 3.4Å; L58-W62 VanDerWaalsContact O-N 3.08Å
59	R	82.5	Confident	81.9	Confident	194 Å²	194	104.7 Å²	104.7	73%	0.732	50%	0.495	S	S	*	.	H	α-helix	trans	-63.8	-41.3	177	-70	179.9	-177.7	179.2	1.7	112.4	P55 L56 W57 G63	P55-R59 PolarHBondContact O-N 3.47Å; L56-R59 PolarHBondContact O-N 2.99Å; W57-R59 VanDerWaalsContact C-N 3.34Å; W57-R59 PolarHBondContact O-N 3.1Å; R59-G63 PolarHBondContact O-N 3.4Å
60	L	85	Confident	83	Confident	102 Å²	102	104.7 Å²	104.7	53%	0.534	50%	0.497	S	S	.	.	H	α-helix	trans	-62	-45.6	176.5	-178.2	69.2	0	0	0	111.2	L56 W57 G63 L64	L56-L60 PolarHBondContact O-N 3.47Å; W57-L60 PolarHBondContact O-N 2.83Å; L60-G63 CarbonylContact O-C 3.48Å; L60-G63 WeakPolarHBondContact O-CA 3.46Å; L60-G63 PolarHBondContact O-N 2.8Å; L60-G63 VanDerWaalsContact O-N 3.15Å; L60-L64 HydrophobicContact CG-CD1 4.29Å; L60-L64 WeakPolarHBondContact O-CG 3.28Å; L60-L64 PolarHBondContact O-N 3.46Å
61	R	83.8	Confident	84.2	Confident	127 Å²	127	106.1 Å²	106.1	48%	0.479	51%	0.508	S	S	.	.	H	α-helix	trans	-61.3	-45.5	179	-175.8	177.5	176.8	168.6	1.2	111.8	W57 L58 G63 L64 F65	W57-R61 WeakPolarHBondContact O-CB 3.26Å; W57-R61 PolarHBondContact O-N 2.87Å; L58-R61 PolarHBondContact O-N 3.34Å; R61-G63 VanDerWaalsContact C-N 3.34Å; R61-L64 PolarHBondContact O-N 3.38Å; R61-F65 WeakPolarHBondContact O-CB 3.31Å; R61-F65 PolarHBondContact O-N 2.84Å
62	W	85.1	Confident	85.7	Confident	156 Å²	156	109.8 Å²	109.8	59%	0.591	52%	0.518	S	S	*	.	H	α-helix	trans	-62.9	-40.1	172.9	-83.4	100.2	0	0	0	112	L58 F65 I66	L58-W62 VanDerWaalsContact O-CD1 3.26Å; L58-W62 PolarHBondContact O-N 3.4Å; L58-W62 VanDerWaalsContact O-N 3.08Å; W62-F65 PolarHBondContact O-N 3.23Å; W62-I66 WeakPolarHBondContact O-CB 3.4Å; W62-I66 VanDerWaalsContact O-CG1 3.26Å; W62-I66 WeakPolarHBondContact O-CG1 3.46Å; W62-I66 PolarHBondContact O-N 2.82Å
63	G	91.5	Very high	86.9	Confident	37 Å²	37	109.4 Å²	109.4	38%	0.381	51%	0.508	S	S	.	.	H	α-helix	trans	-60.2	-45.6	174.7	0	0	0	0	0	113	R59 L60 R61 I66 L67	R59-G63 PolarHBondContact O-N 3.4Å; L60-G63 CarbonylContact O-C 3.48Å; L60-G63 WeakPolarHBondContact O-CA 3.46Å; L60-G63 PolarHBondContact O-N 2.8Å; L60-G63 VanDerWaalsContact O-N 3.15Å; R61-G63 VanDerWaalsContact C-N 3.34Å; G63-I66 PolarHBondContact O-N 2.87Å; G63-L67 VanDerWaalsContact O-CB 3.28Å; G63-L67 WeakPolarHBondContact O-CB 3.3Å; G63-L67 PolarHBondContact O-N 3.02Å
64	L	91.6	Very high	88.2	Confident	102 Å²	102	102.2 Å²	102.2	53%	0.534	49%	0.492	S	S	.	.	H	α-helix	trans	-64.5	-39.6	175	-71.6	173	0	0	0	111.9	L60 R61 L67 F68	L60-L64 HydrophobicContact CG-CD1 4.29Å; L60-L64 WeakPolarHBondContact O-CG 3.28Å; L60-L64 PolarHBondContact O-N 3.46Å; R61-L64 PolarHBondContact O-N 3.38Å; L64-L67 PolarHBondContact O-N 3.34Å; L64-F68 WeakPolarHBondContact O-CB 3.43Å; L64-F68 PolarHBondContact O-N 3.4Å
65	F	92	Very high	89.2	Confident	110 Å²	110	102.8 Å²	102.8	48%	0.482	50%	0.498	S	S	.	.	H	α-helix	trans	-65.5	-44	176.9	-170.1	-104.6	0	0	0	111.8	R61 W62 F68 W69	R61-F65 WeakPolarHBondContact O-CB 3.31Å; R61-F65 PolarHBondContact O-N 2.84Å; W62-F65 PolarHBondContact O-N 3.23Å; F65-F68 PolarHBondContact O-N 3.32Å; F65-W69 AromaticContact CD1-CD1 3.77Å; F65-W69 AromaticContact CD1-NE1 3.88Å; F65-W69 AromaticContact CE1-CD1 3.56Å; F65-W69 AromaticContact CE1-NE1 3.25Å; F65-W69 AromaticContact CE2-NE1 3.5Å; F65-W69 AromaticContact CZ-CD1 3.82Å; F65-W69 AromaticContact CZ-NE1 3.05Å; F65-W69 PolarHBondContact O-N 2.94Å; F65-W69 VanDerWaalsContact O-N 3.1Å
66	I	94.4	Very high	90.3	Very high	92 Å²	92	102.7 Å²	102.7	47%	0.472	49%	0.493	S	S	.	.	H	α-helix	trans	-63.1	-46	174.3	-69	164.9	0	0	0	110.3	W62 G63 F68 W69 I70	W62-I66 WeakPolarHBondContact O-CB 3.4Å; W62-I66 VanDerWaalsContact O-CG1 3.26Å; W62-I66 WeakPolarHBondContact O-CG1 3.46Å; W62-I66 PolarHBondContact O-N 2.82Å; G63-I66 PolarHBondContact O-N 2.87Å; I66-F68 VanDerWaalsContact C-N 3.33Å; I66-F68 PolarHBondContact O-N 3.31Å; I66-W69 PolarHBondContact O-N 3.43Å; I66-I70 HydrophobicContact CG2-CD1 3.67Å; I66-I70 HydrophobicContact CG2-CG1 4.27Å; I66-I70 VanDerWaalsContact O-CG1 3.31Å; I66-I70 WeakPolarHBondContact O-CG1 3.32Å; I66-I70 PolarHBondContact O-N 2.89Å
67	L	94.1	Very high	91.2	Very high	95 Å²	95	100.6 Å²	100.6	50%	0.497	48%	0.482	S	S	.	.	H	α-helix	trans	-59.3	-43.8	177.3	179	65.3	0	0	0	111.5	G63 L64 W69 I70 V71	G63-L67 VanDerWaalsContact O-CB 3.28Å; G63-L67 WeakPolarHBondContact O-CB 3.3Å; G63-L67 PolarHBondContact O-N 3.02Å; L64-L67 PolarHBondContact O-N 3.34Å; L67-W69 PolarHBondContact O-N 3.31Å; L67-I70 PolarHBondContact O-N 3.22Å; L67-V71 HydrophobicContact CD1-CG2 4.19Å; L67-V71 HydrophobicContact CG-CG2 4.43Å; L67-V71 WeakPolarHBondContact O-CB 3.46Å; L67-V71 VanDerWaalsContact O-CG2 3.3Å; L67-V71 WeakPolarHBondContact O-CG2 3.24Å; L67-V71 PolarHBondContact O-N 3.03Å
68	F	95.5	Very high	92.2	Very high	120 Å²	120	98.6 Å²	98.6	53%	0.526	48%	0.483	S	S	.	.	H	α-helix	trans	-56.8	-49	175.5	172.1	-94.7	0	0	0	111.2	L64 F65 I66 V71 W72	L64-F68 WeakPolarHBondContact O-CB 3.43Å; L64-F68 PolarHBondContact O-N 3.4Å; F65-F68 PolarHBondContact O-N 3.32Å; I66-F68 VanDerWaalsContact C-N 3.33Å; I66-F68 PolarHBondContact O-N 3.31Å; F68-V71 PolarHBondContact O-N 2.89Å; F68-W72 VanDerWaalsContact O-CB 3.24Å; F68-W72 WeakPolarHBondContact O-CB 3.47Å; F68-W72 PolarHBondContact O-N 3.48Å
69	W	95.7	Very high	93.2	Very high	110 Å²	110	97.8 Å²	97.8	42%	0.417	49%	0.486	S	S	.	.	H	α-helix	trans	-67.2	-36.5	177.6	-75.9	111.2	0	0	0	113.1	F65 I66 L67 W72 I73	F65-W69 AromaticContact CD1-CD1 3.77Å; F65-W69 AromaticContact CD1-NE1 3.88Å; F65-W69 AromaticContact CE1-CD1 3.56Å; F65-W69 AromaticContact CE1-NE1 3.25Å; F65-W69 AromaticContact CE2-NE1 3.5Å; F65-W69 AromaticContact CZ-CD1 3.82Å; F65-W69 AromaticContact CZ-NE1 3.05Å; F65-W69 PolarHBondContact O-N 2.94Å; F65-W69 VanDerWaalsContact O-N 3.1Å; I66-W69 PolarHBondContact O-N 3.43Å; L67-W69 PolarHBondContact O-N 3.31Å; W69-W72 HydrophobicContact CE3-CD2 4.41Å; W69-W72 HydrophobicContact CE3-CE3 4.13Å; W69-W72 HydrophobicContact CZ3-CD2 4.24Å; W69-W72 HydrophobicContact CZ3-CE3 4.05Å; W69-W72 HydrophobicContact CZ3-CZ3 4.41Å; W69-W72 PolarHBondContact O-N 2.89Å; W69-I73 VanDerWaalsContact O-CB 3.27Å; W69-I73 WeakPolarHBondContact O-CB 3.36Å; W69-I73 WeakPolarHBondContact O-CD1 3.45Å; W69-I73 WeakPolarHBondContact O-CG1 3.33Å; W69-I73 PolarHBondContact O-N 2.88Å
70	I	96.1	Very high	93.8	Very high	106 Å²	106	92.4 Å²	92.4	54%	0.544	47%	0.471	S	S	.	.	H	α-helix	trans	-62	-47.7	174.1	-71.6	170.4	0	0	0	110.5	I66 L67 W72 I73 G74	I66-I70 HydrophobicContact CG2-CD1 3.67Å; I66-I70 HydrophobicContact CG2-CG1 4.27Å; I66-I70 VanDerWaalsContact O-CG1 3.31Å; I66-I70 WeakPolarHBondContact O-CG1 3.32Å; I66-I70 PolarHBondContact O-N 2.89Å; L67-I70 PolarHBondContact O-N 3.22Å; I70-W72 VanDerWaalsContact C-N 3.35Å; I70-I73 PolarHBondContact O-N 3.41Å; I70-G74 PolarHBondContact O-N 3.34Å
71	V	96.2	Very high	94.3	Very high	79 Å²	79	92 Å²	92	48%	0.479	47%	0.468	S	S	.	.	H	α-helix	trans	-63	-44.1	177.4	171	0	0	0	0	110.3	L67 F68 G74 L75	L67-V71 HydrophobicContact CD1-CG2 4.19Å; L67-V71 HydrophobicContact CG-CG2 4.43Å; L67-V71 WeakPolarHBondContact O-CB 3.46Å; L67-V71 VanDerWaalsContact O-CG2 3.3Å; L67-V71 WeakPolarHBondContact O-CG2 3.24Å; L67-V71 PolarHBondContact O-N 3.03Å; F68-V71 PolarHBondContact O-N 2.89Å; V71-G74 PolarHBondContact O-N 2.85Å; V71-L75 HydrophobicContact CG1-CD1 4.14Å; V71-L75 HydrophobicContact CG1-CG 4.45Å; V71-L75 WeakPolarHBondContact O-CG 3.15Å; V71-L75 PolarHBondContact O-N 3.31Å
72	W	97.1	Very high	94.8	Very high	120 Å²	120	91.2 Å²	91.2	46%	0.455	47%	0.473	S	S	.	.	H	α-helix	trans	-63.4	-45.1	178.9	-170.4	93.9	0	0	0	112.2	F68 W69 I70 G74 L75 L76	F68-W72 VanDerWaalsContact O-CB 3.24Å; F68-W72 WeakPolarHBondContact O-CB 3.47Å; F68-W72 PolarHBondContact O-N 3.48Å; W69-W72 HydrophobicContact CE3-CD2 4.41Å; W69-W72 HydrophobicContact CE3-CE3 4.13Å; W69-W72 HydrophobicContact CZ3-CD2 4.24Å; W69-W72 HydrophobicContact CZ3-CE3 4.05Å; W69-W72 HydrophobicContact CZ3-CZ3 4.41Å; W69-W72 PolarHBondContact O-N 2.89Å; I70-W72 VanDerWaalsContact C-N 3.35Å; W72-G74 VanDerWaalsContact C-N 3.32Å; W72-G74 PolarHBondContact O-N 3.28Å; W72-L75 PolarHBondContact O-N 3.46Å; W72-L76 HydrophobicContact CH2-CD1 4.47Å; W72-L76 HydrophobicContact CH2-CD2 4.1Å; W72-L76 HydrophobicContact CZ3-CB 4.42Å; W72-L76 HydrophobicContact CZ3-CD2 3.81Å; W72-L76 WeakPolarHBondContact O-CB 3.27Å; W72-L76 PolarHBondContact O-N 2.9Å
73	I	96.7	Very high	95	Very high	86 Å²	86	90 Å²	90	44%	0.441	48%	0.476	S	S	.	.	H	α-helix	trans	-63.1	-40.5	173.9	-70.3	166.8	0	0	0	110.4	W69 I70 L76 L77	W69-I73 VanDerWaalsContact O-CB 3.27Å; W69-I73 WeakPolarHBondContact O-CB 3.36Å; W69-I73 WeakPolarHBondContact O-CD1 3.45Å; W69-I73 WeakPolarHBondContact O-CG1 3.33Å; W69-I73 PolarHBondContact O-N 2.88Å; I70-I73 PolarHBondContact O-N 3.41Å; I73-L76 PolarHBondContact O-N 3.45Å; I73-L77 HydrophobicContact CG2-CD1 4.01Å; I73-L77 HydrophobicContact CG2-CG 4.4Å; I73-L77 WeakPolarHBondContact O-CB 3.44Å; I73-L77 WeakPolarHBondContact O-CG 3.28Å; I73-L77 PolarHBondContact O-N 3.29Å
74	G	96.7	Very high	95	Very high	36 Å²	36	93 Å²	93	37%	0.371	49%	0.487	S	S	.	.	H	α-helix	trans	-61.3	-43.9	175.6	0	0	0	0	0	112.6	I70 V71 W72 L77 A78	I70-G74 PolarHBondContact O-N 3.34Å; V71-G74 PolarHBondContact O-N 2.85Å; W72-G74 VanDerWaalsContact C-N 3.32Å; W72-G74 PolarHBondContact O-N 3.28Å; G74-L77 PolarHBondContact O-N 3.48Å; G74-A78 WeakPolarHBondContact O-CB 3.39Å; G74-A78 PolarHBondContact O-N 2.92Å
75	L	96.9	Very high	95	Very high	117 Å²	117	95.8 Å²	95.8	61%	0.613	50%	0.495	S	S	*	.	H	α-helix	trans	-65.9	-39.9	174.8	-71.7	174.1	0	0	0	112	V71 W72 A78 A79	V71-L75 HydrophobicContact CG1-CD1 4.14Å; V71-L75 HydrophobicContact CG1-CG 4.45Å; V71-L75 WeakPolarHBondContact O-CG 3.15Å; V71-L75 PolarHBondContact O-N 3.31Å; W72-L75 PolarHBondContact O-N 3.46Å; L75-A78 PolarHBondContact O-N 3.21Å; L75-A79 WeakPolarHBondContact O-CB 3.45Å; L75-A79 PolarHBondContact O-N 3.04Å
76	L	96.9	Very high	94.8	Very high	81 Å²	81	94.2 Å²	94.2	42%	0.424	50%	0.495	S	S	.	.	H	α-helix	trans	-61.9	-46.4	175.2	-175.5	72.5	0	0	0	111.1	W72 I73 A79 I80	W72-L76 HydrophobicContact CH2-CD1 4.47Å; W72-L76 HydrophobicContact CH2-CD2 4.1Å; W72-L76 HydrophobicContact CZ3-CB 4.42Å; W72-L76 HydrophobicContact CZ3-CD2 3.81Å; W72-L76 WeakPolarHBondContact O-CB 3.27Å; W72-L76 PolarHBondContact O-N 2.9Å; I73-L76 PolarHBondContact O-N 3.45Å; L76-A79 PolarHBondContact O-N 3.37Å; L76-I80 HydrophobicContact CG-CD1 4.06Å; L76-I80 VanDerWaalsContact O-CG1 3.27Å; L76-I80 WeakPolarHBondContact O-CG1 3.27Å; L76-I80 PolarHBondContact O-N 3.38Å
77	L	96.7	Very high	94.1	Very high	94 Å²	94	95.2 Å²	95.2	49%	0.492	51%	0.507	S	S	.	.	H	α-helix	trans	-62.5	-43.2	175.9	-73.3	171.4	0	0	0	111.3	I73 G74 A79 I80 L81	I73-L77 HydrophobicContact CG2-CD1 4.01Å; I73-L77 HydrophobicContact CG2-CG 4.4Å; I73-L77 WeakPolarHBondContact O-CB 3.44Å; I73-L77 WeakPolarHBondContact O-CG 3.28Å; I73-L77 PolarHBondContact O-N 3.29Å; G74-L77 PolarHBondContact O-N 3.48Å; L77-A79 PolarHBondContact O-N 2.83Å; L77-I80 PolarHBondContact O-N 3.49Å; L77-L81 WeakPolarHBondContact O-CB 3.44Å; L77-L81 WeakPolarHBondContact O-CG 3.19Å; L77-L81 PolarHBondContact O-N 3.01Å
78	A	96.2	Very high	93.5	Very high	42 Å²	42	100 Å²	100	35%	0.347	52%	0.524	S	S	.	.	H	α-helix	trans	-60.1	-44.2	175.6	0	0	0	0	0	111.8	G74 L75 L81 I82	G74-A78 WeakPolarHBondContact O-CB 3.39Å; G74-A78 PolarHBondContact O-N 2.92Å; L75-A78 PolarHBondContact O-N 3.21Å; A78-L81 PolarHBondContact O-N 3.12Å; A78-I82 VanDerWaalsContact O-CG1 3.28Å; A78-I82 WeakPolarHBondContact O-CG1 3.27Å; A78-I82 PolarHBondContact O-N 2.59Å
79	A	95.9	Very high	93	Very high	47 Å²	47	99.8 Å²	99.8	39%	0.388	54%	0.536	S	S	.	.	H	α-helix	trans	-62.1	-43.3	176	0	0	0	0	0	112.1	L75 L76 L77 I82 I83	L75-A79 WeakPolarHBondContact O-CB 3.45Å; L75-A79 PolarHBondContact O-N 3.04Å; L76-A79 PolarHBondContact O-N 3.37Å; L77-A79 PolarHBondContact O-N 2.83Å; A79-I82 PolarHBondContact O-N 3.22Å; A79-I83 WeakPolarHBondContact O-CG1 3.39Å; A79-I83 PolarHBondContact O-N 2.61Å
80	I	95.9	Very high	92.5	Very high	81 Å²	81	96.6 Å²	96.6	42%	0.415	53%	0.53	S	S	.	.	H	α-helix	trans	-61.7	-46.1	175.3	-68.3	165.2	0	0	0	110.5	L76 L77 I82 I83 V84	L76-I80 HydrophobicContact CG-CD1 4.06Å; L76-I80 VanDerWaalsContact O-CG1 3.27Å; L76-I80 WeakPolarHBondContact O-CG1 3.27Å; L76-I80 PolarHBondContact O-N 3.38Å; L77-I80 PolarHBondContact O-N 3.49Å; I80-I82 VanDerWaalsContact C-N 3.34Å; I80-I82 PolarHBondContact O-N 2.91Å; I80-I83 PolarHBondContact O-N 2.7Å; I80-V84 HydrophobicContact CG2-CG2 4.24Å; I80-V84 WeakPolarHBondContact O-CB 3.34Å; I80-V84 VanDerWaalsContact O-CG2 3.27Å; I80-V84 WeakPolarHBondContact O-CG2 3.23Å; I80-V84 PolarHBondContact O-N 2.6Å
81	L	95.4	Very high	92.1	Very high	93 Å²	93	97 Å²	97	49%	0.487	54%	0.54	S	S	.	.	H	α-helix	trans	-62.5	-41.3	179.1	-68.7	168.3	0	0	0	111.2	L77 A78 I83 V84 F85	L77-L81 WeakPolarHBondContact O-CB 3.44Å; L77-L81 WeakPolarHBondContact O-CG 3.19Å; L77-L81 PolarHBondContact O-N 3.01Å; A78-L81 PolarHBondContact O-N 3.12Å; L81-I83 PolarHBondContact O-N 3.17Å; L81-V84 PolarHBondContact O-N 3.5Å; L81-F85 HydrophobicContact CB-CD2 4.22Å; L81-F85 HydrophobicContact CB-CE2 4.44Å; L81-F85 HydrophobicContact CD2-CD2 4.33Å; L81-F85 HydrophobicContact CD2-CE2 3.72Å; L81-F85 WeakPolarHBondContact O-CB 3.49Å; L81-F85 WeakPolarHBondContact O-CD2 3.39Å; L81-F85 PolarHBondContact O-N 2.93Å
82	I	94	Very high	91.9	Very high	111 Å²	111	100.6 Å²	100.6	57%	0.569	54%	0.544	S	S	*	.	H	α-helix	trans	-59	-48.2	174.3	-69.3	164.7	0	0	0	110.1	A78 A79 I80 V84 F85 T86	A78-I82 VanDerWaalsContact O-CG1 3.28Å; A78-I82 WeakPolarHBondContact O-CG1 3.27Å; A78-I82 PolarHBondContact O-N 2.59Å; A79-I82 PolarHBondContact O-N 3.22Å; I80-I82 VanDerWaalsContact C-N 3.34Å; I80-I82 PolarHBondContact O-N 2.91Å; I82-V84 VanDerWaalsContact C-N 3.31Å; I82-V84 PolarHBondContact O-N 2.68Å; I82-F85 PolarHBondContact O-N 2.92Å; I82-T86 VanDerWaalsContact O-CB 3.23Å; I82-T86 WeakPolarHBondContact O-CB 3.17Å; I82-T86 PolarHBondContact O-N 3.01Å; I82-T86 PolarHBondContact O-OG1 3.09Å
83	I	89.9	Confident	91.7	Very high	130 Å²	130	97.9 Å²	97.9	67%	0.667	54%	0.542	S	S	*	.	H	α-helix	trans	-62.5	-39.1	179.8	-66.7	165.9	0	0	0	111.6	A79 I80 L81	A79-I83 WeakPolarHBondContact O-CG1 3.39Å; A79-I83 PolarHBondContact O-N 2.61Å; I80-I83 PolarHBondContact O-N 2.7Å; L81-I83 PolarHBondContact O-N 3.17Å
84	V	90.5	Very high	91.5	Very high	100 Å²	100	100.7 Å²	100.7	61%	0.606	56%	0.563	S	S	*	*	H	α-helix	trans	-72.2	-38.6	-178.7	170.6	0	0	0	0	112	I80 L81 I82	I80-V84 HydrophobicContact CG2-CG2 4.24Å; I80-V84 WeakPolarHBondContact O-CB 3.34Å; I80-V84 VanDerWaalsContact O-CG2 3.27Å; I80-V84 WeakPolarHBondContact O-CG2 3.23Å; I80-V84 PolarHBondContact O-N 2.6Å; L81-V84 PolarHBondContact O-N 3.5Å; I82-V84 VanDerWaalsContact C-N 3.31Å; I82-V84 PolarHBondContact O-N 2.68Å
85	F	91.4	Very high	91.4	Very high	161 Å²	161	101 Å²	101	71%	0.706	56%	0.556	S	S	*	*	H	α-helix	trans	-94.2	-9.9	-177.1	-69.4	-63	0	0	0	114.2	L81 I82 P87	L81-F85 HydrophobicContact CB-CD2 4.22Å; L81-F85 HydrophobicContact CB-CE2 4.44Å; L81-F85 HydrophobicContact CD2-CD2 4.33Å; L81-F85 HydrophobicContact CD2-CE2 3.72Å; L81-F85 WeakPolarHBondContact O-CB 3.49Å; L81-F85 WeakPolarHBondContact O-CD2 3.39Å; L81-F85 PolarHBondContact O-N 2.93Å; I82-F85 PolarHBondContact O-N 2.92Å; F85-P87 WeakPolarHBondContact O-CD 3.49Å
86	T	88.6	Confident	91.4	Very high	77 Å²	77	96.9 Å²	96.9	47%	0.472	54%	0.536	S	S	.	.	S	Bend	trans	-71.1	120.2	171.9	-59.9	0	0	0	0	108.2	I82 K88	I82-T86 VanDerWaalsContact O-CB 3.23Å; I82-T86 WeakPolarHBondContact O-CB 3.17Å; I82-T86 PolarHBondContact O-N 3.01Å; I82-T86 PolarHBondContact O-OG1 3.09Å; T86-K88 PolarHBondContact O-N 2.04Å
87	P	80.7	Confident	91.5	Very high	113 Å²	113	93.5 Å²	93.5	73%	0.734	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-58.8	127.7	176.9	23.5	-31.9	0	0	0	109.1	F85 C89	F85-P87 WeakPolarHBondContact O-CD 3.49Å; P87-C89 PolarHBondContact O-N 3.09Å
88	K	81.4	Confident	91.5	Very high	195 Å²	195	89.5 Å²	89.5	85%	0.848	50%	0.497	S	S	*	.	P	Polyproline II helix	trans	-63.6	139	174.3	-65.5	-179	-178.4	176.9	0	108.4	T86	T86-K88 PolarHBondContact O-N 2.04Å
89	C	83.7	Confident	91.6	Very high	117 Å²	117	91.6 Å²	91.6	79%	0.791	50%	0.495	S	S	*	.	P	Polyproline II helix	trans	-53.9	137	168.5	-64	0	0	0	0	108.9	P87	P87-C89 PolarHBondContact O-N 3.09Å
90	P	86.7	Confident	91.6	Very high	43 Å²	43	91.6 Å²	91.6	28%	0.279	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-58	139.9	175.7	24.6	-33.6	0	0	0	109.7	R92 F574	P90-R92 PolarHBondContact O-N 3.02Å; P90-F574 HydrophobicContact CB-CE2 3.93Å; P90-F574 HydrophobicContact CB-CZ 4.13Å; P90-F574 HydrophobicContact CG-CD2 4.45Å; P90-F574 HydrophobicContact CG-CE1 4.01Å; P90-F574 HydrophobicContact CG-CE2 3.81Å; P90-F574 HydrophobicContact CG-CZ 3.56Å
91	P	85.8	Confident	91.6	Very high	115 Å²	115	88.8 Å²	88.8	75%	0.747	48%	0.48	S	S	*	.	P	Polyproline II helix	trans	-63.1	130.6	-177.6	26.5	-33.5	0	0	0	110.1
92	R	92.2	Very high	91.8	Very high	154 Å²	154	84.6 Å²	84.6	58%	0.581	46%	0.458	S	S	*	.			trans	-98.3	114.3	172.1	-67.7	172.2	179.7	-92.8	-0.3	107.9	P90 E543 W547 F574	P90-R92 PolarHBondContact O-N 3.02Å; R92-E543 IonicContact CZ-OE1 2.71Å; R92-E543 VanDerWaalsContact NH1-CG 3.28Å; R92-E543 IonicContact NH1-OE1 3.99Å; R92-E543 PolarHBondContact NH1-OE1 3.45Å; R92-E543 IonicContact NH2-OE1 3.06Å; R92-E543 PolarHBondContact NH2-OE1 2.87Å; R92-W547 HydrophobicContact CG-CH2 4.41Å; R92-W547 HydrophobicContact CG-CZ2 4.47Å; R92-F574 HydrophobicContact CG-CZ 3.78Å
93	P	93.1	Very high	92	Very high	62 Å²	62	79.3 Å²	79.3	40%	0.403	43%	0.431	S	S	.	.			trans	-65.5	143	175.9	28.2	-33.3	0	0	0	109.8	L95 W547	P93-L95 HydrophobicContact CG-CD2 4.32Å; P93-L95 PolarHBondContact O-N 2.95Å; P93-W547 HydrophobicContact CG-CD2 3.91Å; P93-W547 HydrophobicContact CG-CE3 4.46Å; P93-W547 HydrophobicContact CG-CG 3.94Å
94	V	92.7	Very high	92.4	Very high	146 Å²	146	73.1 Å²	73.1	89%	0.885	40%	0.399	S	S	*	.			trans	-75	110	169.7	-179.1	0	0	0	0	107.3
95	L	95.6	Very high	92.8	Very high	41 Å²	41	68.3 Å²	68.3	22%	0.215	37%	0.371	C	S	.	.			trans	-91.6	139.7	177.8	-65.2	-177.4	0	0	0	110.6	P93 R99 L546 W547	P93-L95 HydrophobicContact CG-CD2 4.32Å; P93-L95 PolarHBondContact O-N 2.95Å; L95-R99 HydrophobicContact CB-CB 4.25Å; L95-R99 HydrophobicContact CD1-CB 4.49Å; L95-R99 HydrophobicContact CD2-CB 4.47Å; L95-L546 HydrophobicContact CD1-CB 4.05Å; L95-W547 HydrophobicContact CD1-CB 4.37Å; L95-W547 HydrophobicContact CD1-CD2 4.49Å; L95-W547 HydrophobicContact CD1-CE3 3.65Å; L95-W547 HydrophobicContact CD1-CZ3 4.33Å; L95-W547 HydrophobicContact CD2-CB 4.49Å; L95-W547 HydrophobicContact CG-CE3 4.44Å
96	P	96.7	Very high	93.1	Very high	31 Å²	31	60.7 Å²	60.7	20%	0.201	34%	0.337	C	S	.	.			trans	-64.9	159.2	168.9	30.1	-35.5	0	0	0	110.6	W98 R99 S100	P96-W98 HydrophobicContact CB-CD2 3.74Å; P96-W98 HydrophobicContact CB-CE3 3.69Å; P96-W98 HydrophobicContact CB-CH2 3.47Å; P96-W98 VanDerWaalsContact CB-CH2 3.47Å; P96-W98 HydrophobicContact CB-CZ2 3.48Å; P96-W98 VanDerWaalsContact CB-CZ2 3.48Å; P96-W98 HydrophobicContact CB-CZ3 3.57Å; P96-W98 HydrophobicContact CG-CD2 3.96Å; P96-W98 VanDerWaalsContact CG-CE2 3.48Å; P96-W98 HydrophobicContact CG-CE3 4.42Å; P96-W98 HydrophobicContact CG-CH2 4.1Å; P96-W98 HydrophobicContact CG-CZ2 3.56Å; P96-W98 HydrophobicContact CG-CZ3 4.49Å; P96-W98 PolarHBondContact O-N 3.36Å; P96-W98 VanDerWaalsContact O-N 3.11Å; P96-R99 HydrophobicContact CG-CB 4.09Å; P96-R99 HydrophobicContact CG-CG 4.05Å; P96-R99 PolarHBondContact O-N 2.91Å; P96-S100 PolarHBondContact O-N 3.36Å; P96-S100 PolarHBondContact O-OG 3.35Å
97	F	97.9	Very high	93.4	Very high	10 Å²	10	57.1 Å²	57.1	4%	0.044	32%	0.315	C	S	.	.	H	α-helix	trans	-55.6	-39.2	-169.8	70.6	-98.8	0	0	0	113	R99 S100 S101 F140 H190 V192 D273 L339	F97-R99 VanDerWaalsContact C-N 3.3Å; F97-R99 PolarHBondContact O-N 3.49Å; F97-S100 WeakPolarHBondContact CA-OG 3.35Å; F97-S100 PolarHBondContact O-N 3Å; F97-S100 PolarHBondContact O-OG 3.08Å; F97-S101 PolarHBondContact O-N 2.99Å; F97-S101 VanDerWaalsContact O-N 3.09Å; F97-S101 PolarHBondContact O-OG 3.34Å; F97-F140 HydrophobicContact CD2-CB 3.82Å; F97-F140 AromaticContact CD2-CD1 3.98Å; F97-F140 HydrophobicContact CD2-CD1 3.98Å; F97-F140 AromaticContact CD2-CG 3.91Å; F97-F140 HydrophobicContact CD2-CG 3.91Å; F97-F140 HydrophobicContact CE2-CB 3.85Å; F97-F140 HydrophobicContact CE2-CD1 4.29Å; F97-F140 HydrophobicContact CE2-CD2 4.11Å; F97-F140 AromaticContact CE2-CG 3.85Å; F97-F140 HydrophobicContact CE2-CG 3.85Å; F97-H190 VanDerWaalsContact CB-CE1 3.45Å; F97-H190 WeakPolarHBondContact CB-CE1 3.16Å; F97-H190 HydrophobicContact CD1-CB 4.41Å; F97-H190 AromaticContact CD1-CD2 3.74Å; F97-H190 AromaticContact CD1-CG 3.96Å; F97-H190 HydrophobicContact CD2-CB 3.79Å; F97-H190 AromaticContact CD2-CG 3.8Å; F97-H190 AromaticContact CD2-ND1 3.98Å; F97-H190 HydrophobicContact CE1-CB 4.43Å; F97-H190 HydrophobicContact CE2-CB 3.84Å; F97-H190 HydrophobicContact CG-CB 4.1Å; F97-H190 AromaticContact CG-CD2 3.82Å; F97-H190 AromaticContact CG-CG 3.63Å; F97-H190 AromaticContact CG-ND1 3.76Å; F97-H190 HydrophobicContact CZ-CB 4.17Å; F97-V192 HydrophobicContact CE2-CG2 4.08Å; F97-V192 HydrophobicContact CZ-CG2 4.07Å; F97-D273 HydrophobicContact CE1-CB 3.93Å; F97-D273 HydrophobicContact CZ-CB 4.01Å; F97-L339 HydrophobicContact CE2-CD2 4.2Å; F97-L339 HydrophobicContact CZ-CB 4.24Å; F97-L339 HydrophobicContact CZ-CD2 3.99Å
98	W	98	Very high	94.1	Very high	11 Å²	11	51.8 Å²	51.8	4%	0.042	28%	0.28	C	S	.	.	H	α-helix	trans	-69.8	-21.8	-179.8	62.5	91.4	0	0	0	114.1	P96 F140 P337 L339 H371 T439	P96-W98 HydrophobicContact CB-CD2 3.74Å; P96-W98 HydrophobicContact CB-CE3 3.69Å; P96-W98 HydrophobicContact CB-CH2 3.47Å; P96-W98 VanDerWaalsContact CB-CH2 3.47Å; P96-W98 HydrophobicContact CB-CZ2 3.48Å; P96-W98 VanDerWaalsContact CB-CZ2 3.48Å; P96-W98 HydrophobicContact CB-CZ3 3.57Å; P96-W98 HydrophobicContact CG-CD2 3.96Å; P96-W98 VanDerWaalsContact CG-CE2 3.48Å; P96-W98 HydrophobicContact CG-CE3 4.42Å; P96-W98 HydrophobicContact CG-CH2 4.1Å; P96-W98 HydrophobicContact CG-CZ2 3.56Å; P96-W98 HydrophobicContact CG-CZ3 4.49Å; P96-W98 PolarHBondContact O-N 3.36Å; P96-W98 VanDerWaalsContact O-N 3.11Å; W98-F140 HydrophobicContact CB-CE1 4.27Å; W98-F140 HydrophobicContact CB-CZ 4.23Å; W98-P337 HydrophobicContact CH2-CB 4.34Å; W98-P337 HydrophobicContact CZ3-CB 4.21Å; W98-L339 HydrophobicContact CB-CD1 4.34Å; W98-L339 HydrophobicContact CB-CD2 4.09Å; W98-L339 HydrophobicContact CD2-CB 3.77Å; W98-L339 HydrophobicContact CD2-CD1 3.75Å; W98-L339 HydrophobicContact CD2-CD2 4.36Å; W98-L339 HydrophobicContact CD2-CG 4.17Å; W98-L339 HydrophobicContact CE3-CB 3.37Å; W98-L339 HydrophobicContact CE3-CD1 4.25Å; W98-L339 HydrophobicContact CE3-CD2 4.32Å; W98-L339 HydrophobicContact CE3-CG 4.18Å; W98-L339 HydrophobicContact CG-CD1 3.79Å; W98-L339 HydrophobicContact CG-CD2 4.31Å; W98-L339 HydrophobicContact CG-CG 4.43Å; W98-L339 HydrophobicContact CH2-CB 3.85Å; W98-L339 HydrophobicContact CZ2-CB 4.22Å; W98-L339 HydrophobicContact CZ2-CD1 4.5Å; W98-L339 HydrophobicContact CZ3-CB 3.41Å; W98-L339 VanDerWaalsContact CZ3-CB 3.41Å; W98-H371 AromaticContact CH2-NE2 3.9Å; W98-H371 HydrophobicContact CZ2-CB 4.31Å; W98-H371 AromaticContact CZ2-CD2 3.65Å; W98-H371 AromaticContact CZ2-NE2 3.91Å; W98-T439 HydrophobicContact CB-CG2 4.33Å; W98-T439 VanDerWaalsContact O-CG2 3.26Å; W98-T439 WeakPolarHBondContact O-CG2 3.3Å; W98-T439 PolarHBondContact O-OG1 3.19Å
99	R	96.9	Very high	94.6	Very high	85 Å²	85	42.6 Å²	42.6	32%	0.321	24%	0.24	S	C	.	.	H	α-helix	trans	-91.3	-23.5	171.8	-71.6	-172.7	169.9	169.1	0.2	112.8	L95 P96 F97 N410 S411	L95-R99 HydrophobicContact CB-CB 4.25Å; L95-R99 HydrophobicContact CD1-CB 4.49Å; L95-R99 HydrophobicContact CD2-CB 4.47Å; P96-R99 HydrophobicContact CG-CB 4.09Å; P96-R99 HydrophobicContact CG-CG 4.05Å; P96-R99 PolarHBondContact O-N 2.91Å; F97-R99 VanDerWaalsContact C-N 3.3Å; F97-R99 PolarHBondContact O-N 3.49Å; R99-N410 PolarHBondContact NE-O 3.26Å; R99-N410 PolarHBondContact NH2-O 3.08Å; R99-S411 PolarHBondContact NH2-OG 2.86Å
100	S	96.2	Very high	95	Very high	47 Å²	47	37 Å²	37	33%	0.329	20%	0.203	S	C	.	.	H	α-helix	trans	-90.1	-13.6	-177.1	71	0	0	0	0	114.8	P96 F97	P96-S100 PolarHBondContact O-N 3.36Å; P96-S100 PolarHBondContact O-OG 3.35Å; F97-S100 WeakPolarHBondContact CA-OG 3.35Å; F97-S100 PolarHBondContact O-N 3Å; F97-S100 PolarHBondContact O-OG 3.08Å
101	S	97.2	Very high	95.4	Very high	22 Å²	22	35 Å²	35	15%	0.154	19%	0.19	C	C	.	.	S	Bend	trans	-145.9	162.1	-173.9	64.5	0	0	0	0	112.1	F97 F140	F97-S101 PolarHBondContact O-N 2.99Å; F97-S101 VanDerWaalsContact O-N 3.09Å; F97-S101 PolarHBondContact O-OG 3.34Å; S101-F140 WeakPolarHBondContact O-CE1 3.5Å
102	T	98.5	Very high	95.9	Very high	5 Å²	5	29.7 Å²	29.7	3%	0.031	16%	0.156	C	C	.	.			trans	-80.4	137.4	171.7	-68.4	0	0	0	0	109.9	A138 G139 F434 S440 L442 V537	T102-A138 WeakPolarHBondContact O-CA 3.4Å; T102-A138 WeakPolarHBondContact O-CB 3.18Å; T102-G139 PolarHBondContact O-N 3.27Å; T102-F434 HydrophobicContact CG2-CD1 4.42Å; T102-F434 HydrophobicContact CG2-CE1 3.86Å; T102-S440 PolarHBondContact OG1-OG 3.35Å; T102-L442 HydrophobicContact CG2-CB 4.39Å; T102-V537 HydrophobicContact CG2-CG2 4.26Å
103	G	98.8	Very high	95.9	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	144.5	171	0	0	0	0	0	111.5	F140 S440 L442	G103-F140 CarbonylContact C-O 3.37Å; G103-F140 VanDerWaalsContact CA-CE2 3.49Å; G103-F140 WeakPolarHBondContact CA-O 3.49Å; G103-S440 PolarHBondContact N-O 3.2Å; G103-L442 PolarHBondContact O-N 3.41Å
104	Y	98.8	Very high	96	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	113.9	172.2	-164	-111	0	0	0	109	V106 Y111 I132 I136 F140 I141 V142 L442 E447	Y104-V106 HydrophobicContact CD1-CG2 3.17Å; Y104-V106 HydrophobicContact CE1-CG2 3.39Å; Y104-V106 HydrophobicContact CG-CG2 4.21Å; Y104-Y111 AromaticContact CE1-CE2 3.82Å; Y104-Y111 HydrophobicContact CE1-CE2 3.82Å; Y104-Y111 AromaticContact CE1-CZ 3.81Å; Y104-Y111 WeakPolarHBondContact CE1-OH 3.28Å; Y104-I132 HydrophobicContact CD1-CB 4.47Å; Y104-I132 HydrophobicContact CD1-CD1 3.83Å; Y104-I132 HydrophobicContact CD1-CG1 3.72Å; Y104-I132 HydrophobicContact CD1-CG2 4.05Å; Y104-I132 HydrophobicContact CE1-CD1 4.14Å; Y104-I132 HydrophobicContact CE1-CG1 3.88Å; Y104-I132 HydrophobicContact CG-CG2 4.2Å; Y104-I136 HydrophobicContact CD2-CG2 4.05Å; Y104-I136 HydrophobicContact CE2-CG1 4.23Å; Y104-I136 HydrophobicContact CE2-CG2 4.32Å; Y104-F140 PolarHBondContact N-O 3.14Å; Y104-I141 CarbonylContact O-C 3.29Å; Y104-I141 VanDerWaalsContact O-CA 3.26Å; Y104-I141 WeakPolarHBondContact O-CA 3.35Å; Y104-V142 PolarHBondContact O-N 2.82Å; Y104-L442 CarbonylContact C-O 3.58Å; Y104-L442 WeakPolarHBondContact CA-O 3.38Å; Y104-L442 HydrophobicContact CD2-CB 4.22Å; Y104-L442 HydrophobicContact CD2-CD2 3.86Å; Y104-L442 HydrophobicContact CD2-CG 3.96Å; Y104-L442 HydrophobicContact CE2-CD2 3.88Å; Y104-L442 HydrophobicContact CE2-CG 4.05Å; Y104-E447 PolarHBondContact OH-OE1 2.94Å
105	W	98.6	Very high	96	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	117.4	-175	-168.2	-0.4	0	0	0	109.8	V142 L276 V374 T419 L441 L442 Y443 Y444	W105-V142 CarbonylContact C-O 3.51Å; W105-V142 WeakPolarHBondContact CA-O 3.42Å; W105-V142 HydrophobicContact CB-CB 4.17Å; W105-V142 VanDerWaalsContact CD1-O 3.22Å; W105-V142 HydrophobicContact CD2-CG1 4.47Å; W105-V142 HydrophobicContact CG-CB 3.99Å; W105-V142 HydrophobicContact CG-CG1 4.08Å; W105-L276 HydrophobicContact CH2-CD2 4.39Å; W105-L276 HydrophobicContact CZ2-CD2 3.86Å; W105-V374 HydrophobicContact CZ3-CG1 4.17Å; W105-T419 HydrophobicContact CZ2-CG2 3.78Å; W105-L441 HydrophobicContact CB-CD1 3.9Å; W105-L441 HydrophobicContact CB-CD2 4.49Å; W105-L441 HydrophobicContact CB-CG 4.1Å; W105-L441 HydrophobicContact CD2-CD2 4.09Å; W105-L441 HydrophobicContact CE3-CD2 3.5Å; W105-L441 VanDerWaalsContact CE3-CD2 3.5Å; W105-L441 HydrophobicContact CE3-CG 4.08Å; W105-L441 HydrophobicContact CZ3-CD2 4.02Å; W105-L442 PolarHBondContact N-O 3.2Å; W105-Y443 HydrophobicContact CB-CD2 3.86Å; W105-Y443 AromaticContact CD2-CD2 3.64Å; W105-Y443 HydrophobicContact CD2-CD2 3.64Å; W105-Y443 HydrophobicContact CD2-CE2 4.1Å; W105-Y443 AromaticContact CE3-CD2 3.78Å; W105-Y443 HydrophobicContact CE3-CD2 3.78Å; W105-Y443 AromaticContact CG-CD2 3.67Å; W105-Y443 HydrophobicContact CG-CD2 3.67Å; W105-Y443 HydrophobicContact CG-CE2 4.14Å; W105-Y444 PolarHBondContact O-N 2.85Å
106	V	97.6	Very high	95.7	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	135.4	-168.2	-174.4	0	0	0	0	111.1	Y104 Y111 L125 I141 V142 T144	Y104-V106 HydrophobicContact CD1-CG2 3.17Å; Y104-V106 HydrophobicContact CE1-CG2 3.39Å; Y104-V106 HydrophobicContact CG-CG2 4.21Å; V106-Y111 HydrophobicContact CG1-CD1 3.99Å; V106-Y111 HydrophobicContact CG1-CD2 3.61Å; V106-Y111 HydrophobicContact CG1-CE1 4.49Å; V106-Y111 HydrophobicContact CG1-CE2 4.21Å; V106-Y111 HydrophobicContact CG1-CG 3.47Å; V106-Y111 VanDerWaalsContact CG1-CG 3.47Å; V106-L125 HydrophobicContact CG1-CD1 4.09Å; V106-I141 HydrophobicContact CG2-CG2 4.48Å; V106-V142 PolarHBondContact N-O 3.19Å; V106-T144 PolarHBondContact O-N 3.41Å
107	N	94.6	Very high	95.3	Very high	3 Å²	3	22.4 Å²	22.4	2%	0.016	12%	0.124	C	C	.	.			trans	-94.1	109.9	163.3	-179.8	-12.8	0	0	0	109.2	F109 A110 Y111 T144 Y444 Y462 Q482	N107-F109 VanDerWaalsContact C-N 3.31Å; N107-F109 PolarHBondContact O-N 2.62Å; N107-F109 WeakPolarHBondContact OD1-CD2 3.01Å; N107-F109 PolarHBondContact OD1-N 2.9Å; N107-A110 HydrophobicContact CB-CB 4.23Å; N107-A110 PolarHBondContact O-N 3.41Å; N107-A110 VanDerWaalsContact O-N 3.1Å; N107-Y111 WeakPolarHBondContact O-CB 3.28Å; N107-Y111 PolarHBondContact O-N 2.71Å; N107-T144 WeakPolarHBondContact CA-OG1 3.37Å; N107-T144 HydrophobicContact CB-CG2 4.05Å; N107-Y444 HydrophobicContact CB-CE1 3.83Å; N107-Y462 VanDerWaalsContact CG-OH 3.29Å; N107-Y462 PolarHBondContact ND2-OH 2.95Å; N107-Y462 PolarHBondContact OD1-OH 3.39Å; N107-Y462 VanDerWaalsContact OD1-OH 3.13Å; N107-Q482 PolarHBondContact ND2-OE1 2.8Å
108	P	94.7	Very high	94.8	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-61.2	-40.1	-172.5	22.4	-28.4	0	0	0	112.1	A110 Y111 G120 L143 T144 I146	P108-A110 PolarHBondContact O-N 2.83Å; P108-A110 VanDerWaalsContact O-N 3.1Å; P108-Y111 PolarHBondContact O-N 3.42Å; P108-Y111 VanDerWaalsContact O-N 3.09Å; P108-G120 CarbonylContact O-C 3.57Å; P108-G120 WeakPolarHBondContact O-CA 3.31Å; P108-L143 HydrophobicContact CB-CD1 4.06Å; P108-L143 HydrophobicContact CG-CD1 3.85Å; P108-L143 HydrophobicContact CG-CG 4.33Å; P108-T144 VanDerWaalsContact CD-OG1 3.27Å; P108-T144 WeakPolarHBondContact CD-OG1 3.43Å; P108-I146 HydrophobicContact CG-CG2 3.55Å
109	F	92.2	Very high	94.4	Very high	3 Å²	3	23.9 Å²	23.9	1%	0.013	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-61.2	-20.2	179	-53.3	-73	0	0	0	113.8	N107 I119 G120 Q150 Y151 D168 A170 A171 Y462	N107-F109 VanDerWaalsContact C-N 3.31Å; N107-F109 PolarHBondContact O-N 2.62Å; N107-F109 WeakPolarHBondContact OD1-CD2 3.01Å; N107-F109 PolarHBondContact OD1-N 2.9Å; F109-I119 HydrophobicContact CB-CG2 4.28Å; F109-I119 HydrophobicContact CD1-CG2 4Å; F109-G120 VanDerWaalsContact CA-O 3.24Å; F109-G120 WeakPolarHBondContact CA-O 3.35Å; F109-G120 PolarHBondContact O-N 3.19Å; F109-Q150 HydrophobicContact CE2-CG 3.94Å; F109-Q150 HydrophobicContact CZ-CG 4.37Å; F109-Y151 HydrophobicContact CD1-CD2 4.3Å; F109-Y151 HydrophobicContact CD1-CG 4.04Å; F109-Y151 HydrophobicContact CE1-CD1 4.48Å; F109-Y151 HydrophobicContact CE1-CG 4.09Å; F109-Y151 HydrophobicContact CG-CD2 4.36Å; F109-Y151 HydrophobicContact CG-CG 4.47Å; F109-D168 HydrophobicContact CE1-CB 4.24Å; F109-D168 HydrophobicContact CZ-CB 3.93Å; F109-A170 HydrophobicContact CD1-CB 4.31Å; F109-A170 HydrophobicContact CE1-CB 4.03Å; F109-A171 HydrophobicContact CE1-CB 3.73Å; F109-A171 HydrophobicContact CZ-CB 3.93Å; F109-Y462 HydrophobicContact CB-CE2 4.3Å; F109-Y462 WeakPolarHBondContact CB-OH 3.49Å
110	A	91.5	Very high	94.3	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-110.2	3.3	-179.5	0	0	0	0	0	113.6	N107 P108 Y444 Y462 Q482 P484 M485 F494	N107-A110 HydrophobicContact CB-CB 4.23Å; N107-A110 PolarHBondContact O-N 3.41Å; N107-A110 VanDerWaalsContact O-N 3.1Å; P108-A110 PolarHBondContact O-N 2.83Å; P108-A110 VanDerWaalsContact O-N 3.1Å; A110-Y444 HydrophobicContact CB-CE2 4.3Å; A110-Y444 WeakPolarHBondContact CB-OH 3.34Å; A110-Y462 HydrophobicContact CB-CD2 4.02Å; A110-Y462 HydrophobicContact CB-CE2 3.32Å; A110-Q482 WeakPolarHBondContact CB-O 3.43Å; A110-P484 CarbonylContact O-C 3.52Å; A110-P484 WeakPolarHBondContact O-CA 3.46Å; A110-M485 PolarHBondContact O-N 3.06Å; A110-F494 VanDerWaalsContact C-CE2 3.41Å; A110-F494 WeakPolarHBondContact O-CE2 3.16Å
111	Y	95.4	Very high	94.3	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-59.2	-167.9	-163.6	-113.1	0	0	0	113.9	Y104 V106 N107 P108 L125 R128 Y131 I132 Y444 M485 W487	Y104-Y111 AromaticContact CE1-CE2 3.82Å; Y104-Y111 HydrophobicContact CE1-CE2 3.82Å; Y104-Y111 AromaticContact CE1-CZ 3.81Å; Y104-Y111 WeakPolarHBondContact CE1-OH 3.28Å; V106-Y111 HydrophobicContact CG1-CD1 3.99Å; V106-Y111 HydrophobicContact CG1-CD2 3.61Å; V106-Y111 HydrophobicContact CG1-CE1 4.49Å; V106-Y111 HydrophobicContact CG1-CE2 4.21Å; V106-Y111 HydrophobicContact CG1-CG 3.47Å; V106-Y111 VanDerWaalsContact CG1-CG 3.47Å; N107-Y111 WeakPolarHBondContact O-CB 3.28Å; N107-Y111 PolarHBondContact O-N 2.71Å; P108-Y111 PolarHBondContact O-N 3.42Å; P108-Y111 VanDerWaalsContact O-N 3.09Å; Y111-L125 HydrophobicContact CD1-CD1 3.37Å; Y111-L125 HydrophobicContact CE1-CD1 3.47Å; Y111-L125 VanDerWaalsContact CE1-CD1 3.47Å; Y111-L125 HydrophobicContact CG-CD1 4.32Å; Y111-R128 HydrophobicContact CD1-CB 4.34Å; Y111-R128 HydrophobicContact CD1-CG 4.47Å; Y111-R128 HydrophobicContact CE1-CB 3.57Å; Y111-R128 HydrophobicContact CE1-CG 4.04Å; Y111-Y131 WeakPolarHBondContact OH-CD1 3.29Å; Y111-I132 HydrophobicContact CE1-CD1 4.18Å; Y111-I132 WeakPolarHBondContact OH-CG1 3.5Å; Y111-Y444 AromaticContact CD2-CD2 3.98Å; Y111-Y444 HydrophobicContact CD2-CD2 3.98Å; Y111-Y444 HydrophobicContact CD2-CG 4.21Å; Y111-Y444 HydrophobicContact CE2-CD2 4.45Å; Y111-M485 HydrophobicContact CD2-CB 4.07Å; Y111-M485 HydrophobicContact CD2-CG 4.11Å; Y111-M485 HydrophobicContact CE2-CG 4.06Å; Y111-W487 HydrophobicContact CD1-CZ2 4.21Å; Y111-W487 HydrophobicContact CD2-CZ2 4.27Å; Y111-W487 HydrophobicContact CE1-CH2 4.2Å; Y111-W487 AromaticContact CE1-CZ2 3.71Å; Y111-W487 HydrophobicContact CE1-CZ2 3.71Å; Y111-W487 HydrophobicContact CE2-CH2 4.22Å; Y111-W487 AromaticContact CE2-CZ2 3.73Å; Y111-W487 HydrophobicContact CE2-CZ2 3.73Å; Y111-W487 HydrophobicContact CG-CZ2 4.49Å; Y111-W487 AromaticContact CZ-CH2 3.7Å; Y111-W487 AromaticContact CZ-CZ2 3.43Å; Y111-W487 VanDerWaalsContact CZ-CZ2 3.43Å; Y111-W487 PolarHBondContact O-NE1 2.92Å; Y111-W487 WeakPolarHBondContact OH-CH2 3.46Å
112	A	95.7	Very high	94.3	Very high	4 Å²	4	16.9 Å²	16.9	3%	0.033	10%	0.095	C	C	.	.			trans	-159	129	179.2	0	0	0	0	0	110.4	G120 D121 G124 R128	A112-G120 CarbonylContact O-C 3.28Å; A112-G120 WeakPolarHBondContact O-CA 3.36Å; A112-D121 PolarHBondContact O-N 3.23Å; A112-G124 WeakPolarHBondContact O-CA 3.11Å; A112-R128 HydrophobicContact CB-CG 3.94Å
113	D	94.1	Very high	94.3	Very high	7 Å²	7	21.3 Å²	21.3	4%	0.037	11%	0.111	C	C	.	.			trans	-96.1	126.8	178.9	167.8	15.5	0	0	0	109.8	T115 N116 D117 K118 I119 F494 S495	D113-T115 PolarHBondContact OD1-N 2.81Å; D113-T115 PolarHBondContact OD1-OG1 2.82Å; D113-N116 PolarHBondContact OD1-N 2.88Å; D113-N116 WeakPolarHBondContact OD2-CA 3.45Å; D113-N116 PolarHBondContact OD2-N 3.23Å; D113-D117 PolarHBondContact OD2-N 3.43Å; D113-K118 VanDerWaalsContact OD2-CA 3.23Å; D113-K118 WeakPolarHBondContact OD2-CA 3.49Å; D113-K118 PolarHBondContact OD2-N 2.84Å; D113-I119 WeakPolarHBondContact CA-O 3.33Å; D113-I119 WeakPolarHBondContact CB-O 3.04Å; D113-F494 WeakPolarHBondContact CB-O 3.4Å; D113-F494 PolarHBondContact N-O 3.42Å; D113-S495 VanDerWaalsContact OD2-CB 3.23Å; D113-S495 WeakPolarHBondContact OD2-CB 3.37Å; D113-S495 PolarHBondContact OD2-OG 3.08Å
114	S	94.8	Very high	94.3	Very high	39 Å²	39	21.3 Å²	21.3	27%	0.273	11%	0.111	S	C	.	.	S	Bend	trans	-105	-12.6	176.5	75	0	0	0	0	114.1	D121 R123	S114-D121 WeakPolarHBondContact CB-OD2 3.38Å; S114-D121 PolarHBondContact N-OD2 3.24Å; S114-D121 PolarHBondContact OG-OD1 3.24Å; S114-D121 PolarHBondContact OG-OD2 3.45Å; S114-R123 WeakPolarHBondContact OG-CB 3.44Å
115	T	92.4	Very high	94.3	Very high	83 Å²	83	21.3 Å²	21.3	51%	0.509	11%	0.111	S	C	.	.	S	Bend	trans	-102.4	-10.5	-173.4	70.5	0	0	0	0	113.7	D113 D117	D113-T115 PolarHBondContact OD1-N 2.81Å; D113-T115 PolarHBondContact OD1-OG1 2.82Å; T115-D117 VanDerWaalsContact C-N 3.34Å; T115-D117 VanDerWaalsContact OG1-CG 3.23Å; T115-D117 PolarHBondContact OG1-OD1 2.94Å; T115-D117 PolarHBondContact OG1-OD2 2.81Å
116	N	89.4	Confident	94.3	Very high	76 Å²	76	22.3 Å²	22.3	41%	0.406	12%	0.117	S	C	.	.	S	Bend	trans	69.3	25.5	-176.7	-47	-79	0	0	0	114	D113 K118 P496 I497	D113-N116 PolarHBondContact OD1-N 2.88Å; D113-N116 WeakPolarHBondContact OD2-CA 3.45Å; D113-N116 PolarHBondContact OD2-N 3.23Å; N116-K118 VanDerWaalsContact C-N 3.34Å; N116-P496 WeakPolarHBondContact OD1-CB 2.91Å; N116-P496 WeakPolarHBondContact OD1-CD 3.44Å; N116-P496 WeakPolarHBondContact OD1-CG 3.47Å; N116-I497 HydrophobicContact CB-CB 4.36Å; N116-I497 HydrophobicContact CB-CG2 4.46Å
117	D	88.5	Confident	94.3	Very high	75 Å²	75	29 Å²	29	40%	0.401	15%	0.148	S	C	.	.	S	Bend	trans	-91.5	0.6	171.4	71.1	-1.8	0	0	0	113	D113 T115 I119	D113-D117 PolarHBondContact OD2-N 3.43Å; T115-D117 VanDerWaalsContact C-N 3.34Å; T115-D117 VanDerWaalsContact OG1-CG 3.23Å; T115-D117 PolarHBondContact OG1-OD1 2.94Å; T115-D117 PolarHBondContact OG1-OD2 2.81Å; D117-I119 VanDerWaalsContact C-N 3.28Å; D117-I119 WeakPolarHBondContact OD1-CB 3.24Å; D117-I119 PolarHBondContact OD1-N 3.23Å
118	K	87.7	Confident	94.4	Very high	39 Å²	39	32.4 Å²	32.4	17%	0.17	16%	0.161	C	C	.	.	S	Bend	trans	71.7	16.9	-178.6	-47.5	162.1	-179	165.8	0	114	D113 N116 F464 D465 F494 I497 L498	D113-K118 VanDerWaalsContact OD2-CA 3.23Å; D113-K118 WeakPolarHBondContact OD2-CA 3.49Å; D113-K118 PolarHBondContact OD2-N 2.84Å; N116-K118 VanDerWaalsContact C-N 3.34Å; K118-F464 HydrophobicContact CB-CB 3.78Å; K118-F464 HydrophobicContact CB-CG 4.47Å; K118-F464 HydrophobicContact CD-CB 4.07Å; K118-D465 IonicContact NZ-OD2 2.55Å; K118-D465 PolarHBondContact NZ-OD2 3.1Å; K118-F494 WeakPolarHBondContact O-CE1 3.33Å; K118-I497 HydrophobicContact CD-CG2 4.46Å; K118-I497 HydrophobicContact CG-CG2 3.75Å; K118-L498 HydrophobicContact CD-CD2 3.81Å; K118-L498 HydrophobicContact CG-CD2 3.89Å; K118-L498 HydrophobicContact CG-CG 4.3Å
119	I	89.6	Confident	94.6	Very high	13 Å²	13	32.5 Å²	32.5	7%	0.067	16%	0.161	C	C	.	.	S	Bend	trans	-116.4	131.2	175.4	-55.2	159.1	0	0	0	107.6	F109 D113 D117 Y151 A170 P463	F109-I119 HydrophobicContact CB-CG2 4.28Å; F109-I119 HydrophobicContact CD1-CG2 4Å; D113-I119 WeakPolarHBondContact CA-O 3.33Å; D113-I119 WeakPolarHBondContact CB-O 3.04Å; D117-I119 VanDerWaalsContact C-N 3.28Å; D117-I119 WeakPolarHBondContact OD1-CB 3.24Å; D117-I119 PolarHBondContact OD1-N 3.23Å; I119-Y151 HydrophobicContact CD1-CE1 3.71Å; I119-Y151 WeakPolarHBondContact CD1-OH 3.47Å; I119-Y151 HydrophobicContact CG1-CE1 4.4Å; I119-Y151 VanDerWaalsContact CG1-OH 3.26Å; I119-Y151 WeakPolarHBondContact CG1-OH 3.37Å; I119-Y151 HydrophobicContact CG2-CE1 4.17Å; I119-Y151 HydrophobicContact CG2-CE2 4.32Å; I119-A170 HydrophobicContact CG2-CB 4.18Å; I119-P463 HydrophobicContact CG1-CB 3.94Å
120	G	93.1	Very high	94.9	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.185	C	C	.	.			trans	-68.9	149.3	177.9	0	0	0	0	0	112.3	P108 F109 A112	P108-G120 CarbonylContact O-C 3.57Å; P108-G120 WeakPolarHBondContact O-CA 3.31Å; F109-G120 VanDerWaalsContact CA-O 3.24Å; F109-G120 WeakPolarHBondContact CA-O 3.35Å; F109-G120 PolarHBondContact O-N 3.19Å; A112-G120 CarbonylContact O-C 3.28Å; A112-G120 WeakPolarHBondContact O-CA 3.36Å
121	D	96.2	Very high	95.2	Very high	8 Å²	8	38.3 Å²	38.3	4%	0.043	19%	0.188	C	C	.	.			trans	-141.7	172.8	-174.4	67.4	54.7	0	0	0	111.7	A112 S114 R123 G124 L125 A170	A112-D121 PolarHBondContact O-N 3.23Å; S114-D121 WeakPolarHBondContact CB-OD2 3.38Å; S114-D121 PolarHBondContact N-OD2 3.24Å; S114-D121 PolarHBondContact OG-OD1 3.24Å; S114-D121 PolarHBondContact OG-OD2 3.45Å; D121-R123 VanDerWaalsContact C-N 3.28Å; D121-R123 PolarHBondContact O-N 3.16Å; D121-R123 WeakPolarHBondContact OD1-CA 3.33Å; D121-R123 WeakPolarHBondContact OD1-CB 3.21Å; D121-R123 PolarHBondContact OD1-N 3.28Å; D121-G124 PolarHBondContact O-N 2.66Å; D121-G124 PolarHBondContact OD1-N 2.75Å; D121-L125 PolarHBondContact O-N 3.04Å; D121-A170 WeakPolarHBondContact CB-O 3.4Å
122	L	98.6	Very high	95.3	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-65.2	-30.4	-178	-69.3	172.1	0	0	0	112.8	V126 L143 I146 I167 A171 F177 F180	L122-V126 WeakPolarHBondContact O-CG2 3.49Å; L122-V126 PolarHBondContact O-N 3.28Å; L122-L143 HydrophobicContact CD2-CD2 3.95Å; L122-I146 HydrophobicContact CD1-CD1 4.33Å; L122-I167 HydrophobicContact CD1-CD1 4.39Å; L122-I167 HydrophobicContact CD1-CG2 4.47Å; L122-A171 WeakPolarHBondContact CB-O 3.42Å; L122-A171 HydrophobicContact CG-CB 4.39Å; L122-A171 VanDerWaalsContact CG-O 3.29Å; L122-A171 WeakPolarHBondContact CG-O 3.49Å; L122-A171 PolarHBondContact N-O 3.31Å; L122-F177 HydrophobicContact CD1-CB 3.93Å; L122-F177 HydrophobicContact CD1-CD2 4.32Å; L122-F180 HydrophobicContact CD2-CD1 4.24Å; L122-F180 HydrophobicContact CD2-CG 4.25Å
123	R	98.3	Very high	95.5	Very high	98 Å²	98	41.6 Å²	41.6	37%	0.37	20%	0.201	S	C	.	.	H	α-helix	trans	-73.3	-42.7	178.9	-71.3	-68.8	-175.6	144.6	4.3	110.8	S114 D121 L125 V126 E127 D176	S114-R123 WeakPolarHBondContact OG-CB 3.44Å; D121-R123 VanDerWaalsContact C-N 3.28Å; D121-R123 PolarHBondContact O-N 3.16Å; D121-R123 WeakPolarHBondContact OD1-CA 3.33Å; D121-R123 WeakPolarHBondContact OD1-CB 3.21Å; D121-R123 PolarHBondContact OD1-N 3.28Å; R123-L125 VanDerWaalsContact C-N 3.3Å; R123-L125 PolarHBondContact O-N 3.23Å; R123-V126 WeakPolarHBondContact O-CB 3.13Å; R123-V126 PolarHBondContact O-N 3.24Å; R123-V126 VanDerWaalsContact O-N 3.08Å; R123-E127 WeakPolarHBondContact O-CG 3.48Å; R123-E127 PolarHBondContact O-N 3.04Å; R123-D176 IonicContact CZ-OD1 3.97Å; R123-D176 IonicContact NE-OD1 3.75Å; R123-D176 PolarHBondContact NE-OD1 3.41Å; R123-D176 IonicContact NH2-OD1 2.57Å; R123-D176 PolarHBondContact NH2-OD1 2.91Å
124	G	97.9	Very high	95.6	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-61.1	-39.8	172.3	0	0	0	0	0	111.6	A112 D121 V126 E127 R128	A112-G124 WeakPolarHBondContact O-CA 3.11Å; D121-G124 PolarHBondContact O-N 2.66Å; D121-G124 PolarHBondContact OD1-N 2.75Å; G124-V126 PolarHBondContact O-N 3.35Å; G124-E127 WeakPolarHBondContact O-CB 3.44Å; G124-E127 PolarHBondContact O-N 2.97Å; G124-R128 WeakPolarHBondContact O-CG 3.28Å; G124-R128 PolarHBondContact O-N 3.03Å
125	L	98.4	Very high	95.7	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-62.2	-40.1	171.8	179.7	58	0	0	0	112.3	V106 Y111 D121 R123 E127 R128 L129 I132 L143 F180	V106-L125 HydrophobicContact CG1-CD1 4.09Å; Y111-L125 HydrophobicContact CD1-CD1 3.37Å; Y111-L125 HydrophobicContact CE1-CD1 3.47Å; Y111-L125 VanDerWaalsContact CE1-CD1 3.47Å; Y111-L125 HydrophobicContact CG-CD1 4.32Å; D121-L125 PolarHBondContact O-N 3.04Å; R123-L125 VanDerWaalsContact C-N 3.3Å; R123-L125 PolarHBondContact O-N 3.23Å; L125-E127 VanDerWaalsContact C-N 3.31Å; L125-E127 PolarHBondContact O-N 3.12Å; L125-R128 PolarHBondContact O-N 2.81Å; L125-R128 VanDerWaalsContact O-N 3.11Å; L125-L129 PolarHBondContact O-N 3.01Å; L125-I132 HydrophobicContact CD1-CD1 3.86Å; L125-L143 HydrophobicContact CD2-CD1 3.56Å; L125-F180 HydrophobicContact CD2-CD2 4.21Å; L125-F180 HydrophobicContact CD2-CE2 3.42Å; L125-F180 VanDerWaalsContact CD2-CE2 3.42Å; L125-F180 HydrophobicContact CD2-CZ 3.76Å; L125-F180 HydrophobicContact CG-CD2 4.35Å; L125-F180 HydrophobicContact CG-CE2 3.74Å
126	V	98.7	Very high	96	Very high	20 Å²	20	41 Å²	41	12%	0.121	20%	0.199	C	C	.	.	H	α-helix	trans	-59.8	-41.1	175.3	171	0	0	0	0	111.6	L122 R123 G124 R128 L129 Y179 F180	L122-V126 WeakPolarHBondContact O-CG2 3.49Å; L122-V126 PolarHBondContact O-N 3.28Å; R123-V126 WeakPolarHBondContact O-CB 3.13Å; R123-V126 PolarHBondContact O-N 3.24Å; R123-V126 VanDerWaalsContact O-N 3.08Å; G124-V126 PolarHBondContact O-N 3.35Å; V126-R128 PolarHBondContact O-N 2.82Å; V126-R128 VanDerWaalsContact O-N 3.16Å; V126-L129 HydrophobicContact CB-CD1 4.42Å; V126-L129 HydrophobicContact CG1-CD1 4.13Å; V126-L129 HydrophobicContact CG2-CD1 4.41Å; V126-L129 WeakPolarHBondContact O-CB 3.22Å; V126-L129 WeakPolarHBondContact O-CG 3.47Å; V126-L129 PolarHBondContact O-N 2.84Å; V126-L129 VanDerWaalsContact O-N 3.14Å; V126-Y179 HydrophobicContact CB-CE1 4.36Å; V126-Y179 HydrophobicContact CG1-CE1 3.77Å; V126-Y179 HydrophobicContact CG2-CD1 4.24Å; V126-Y179 HydrophobicContact CG2-CE1 4.23Å; V126-F180 HydrophobicContact CG2-CB 3.93Å; V126-F180 HydrophobicContact CG2-CD2 3.77Å; V126-F180 HydrophobicContact CG2-CG 4.35Å
127	E	97.8	Very high	96.4	Very high	140 Å²	140	38.1 Å²	38.1	65%	0.654	19%	0.187	S	C	*	.	H	α-helix	trans	-62.4	-21.2	178.2	-67.9	177.1	-175	0	0	113	R123 G124 L125	R123-E127 WeakPolarHBondContact O-CG 3.48Å; R123-E127 PolarHBondContact O-N 3.04Å; G124-E127 WeakPolarHBondContact O-CB 3.44Å; G124-E127 PolarHBondContact O-N 2.97Å; L125-E127 VanDerWaalsContact C-N 3.31Å; L125-E127 PolarHBondContact O-N 3.12Å
128	R	97.8	Very high	96.9	Very high	76 Å²	76	34.5 Å²	34.5	29%	0.287	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	6.7	179.4	-59.7	-60.2	-175.9	-175.2	-0.6	113.9	Y111 A112 G124 L125 V126 E130 Y131 I132 W487 G493	Y111-R128 HydrophobicContact CD1-CB 4.34Å; Y111-R128 HydrophobicContact CD1-CG 4.47Å; Y111-R128 HydrophobicContact CE1-CB 3.57Å; Y111-R128 HydrophobicContact CE1-CG 4.04Å; A112-R128 HydrophobicContact CB-CG 3.94Å; G124-R128 WeakPolarHBondContact O-CG 3.28Å; G124-R128 PolarHBondContact O-N 3.03Å; L125-R128 PolarHBondContact O-N 2.81Å; L125-R128 VanDerWaalsContact O-N 3.11Å; V126-R128 PolarHBondContact O-N 2.82Å; V126-R128 VanDerWaalsContact O-N 3.16Å; R128-E130 VanDerWaalsContact C-N 3.28Å; R128-E130 PolarHBondContact O-N 2.81Å; R128-Y131 WeakPolarHBondContact O-CB 3.24Å; R128-Y131 PolarHBondContact O-N 2.56Å; R128-Y131 VanDerWaalsContact O-N 3.09Å; R128-I132 PolarHBondContact O-N 3.17Å; R128-W487 HydrophobicContact CB-CH2 4.27Å; R128-W487 HydrophobicContact CB-CZ2 4.29Å; R128-W487 HydrophobicContact CG-CH2 4.07Å; R128-W487 HydrophobicContact CG-CZ2 3.78Å; R128-G493 PolarHBondContact NH2-O 2.87Å
129	L	98.6	Very high	97.4	Very high	1 Å²	1	33 Å²	33	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-61.6	-34.1	179.2	-70.2	176.6	0	0	0	113.5	L125 V126 Y131 I132 K133 I141 F180 I189	L125-L129 PolarHBondContact O-N 3.01Å; V126-L129 HydrophobicContact CB-CD1 4.42Å; V126-L129 HydrophobicContact CG1-CD1 4.13Å; V126-L129 HydrophobicContact CG2-CD1 4.41Å; V126-L129 WeakPolarHBondContact O-CB 3.22Å; V126-L129 WeakPolarHBondContact O-CG 3.47Å; V126-L129 PolarHBondContact O-N 2.84Å; V126-L129 VanDerWaalsContact O-N 3.14Å; L129-Y131 VanDerWaalsContact C-N 3.29Å; L129-Y131 PolarHBondContact O-N 2.87Å; L129-I132 PolarHBondContact O-N 2.84Å; L129-K133 WeakPolarHBondContact O-CB 3.42Å; L129-K133 PolarHBondContact O-N 2.84Å; L129-I141 HydrophobicContact CD2-CD1 3.7Å; L129-F180 HydrophobicContact CD2-CE2 4.41Å; L129-I189 HydrophobicContact CD2-CD1 4.21Å
130	E	97.7	Very high	97.8	Very high	107 Å²	107	32.5 Å²	32.5	50%	0.5	16%	0.161	S	C	.	.	H	α-helix	trans	-64.5	-36.7	176.5	-173.5	59.8	-156	0	0	111.3	R128 S134	R128-E130 VanDerWaalsContact C-N 3.28Å; R128-E130 PolarHBondContact O-N 2.81Å; E130-S134 VanDerWaalsContact CD-OG 3.32Å; E130-S134 WeakPolarHBondContact O-CA 3.31Å; E130-S134 VanDerWaalsContact O-CB 3.3Å; E130-S134 WeakPolarHBondContact O-CB 3.29Å; E130-S134 PolarHBondContact O-N 2.81Å; E130-S134 WeakPolarHBondContact OE1-CB 3.24Å; E130-S134 PolarHBondContact OE1-OG 2.84Å
131	Y	98.3	Very high	98.1	Very high	19 Å²	19	32.5 Å²	32.5	8%	0.075	16%	0.161	C	C	.	.	I	π-helix	trans	-63.1	-48.3	173.8	172.2	-94.3	0	0	0	111.2	Y111 R128 L129 K133 T135 I136 E447 M485 W487 V517 F530	Y111-Y131 WeakPolarHBondContact OH-CD1 3.29Å; R128-Y131 WeakPolarHBondContact O-CB 3.24Å; R128-Y131 PolarHBondContact O-N 2.56Å; R128-Y131 VanDerWaalsContact O-N 3.09Å; L129-Y131 VanDerWaalsContact C-N 3.29Å; L129-Y131 PolarHBondContact O-N 2.87Å; Y131-K133 VanDerWaalsContact C-N 3.35Å; Y131-K133 PolarHBondContact O-N 3.31Å; Y131-T135 HydrophobicContact CD2-CG2 3.8Å; Y131-T135 HydrophobicContact CE2-CG2 3.79Å; Y131-T135 CarbonylContact O-C 3.6Å; Y131-T135 WeakPolarHBondContact O-CA 3.39Å; Y131-T135 WeakPolarHBondContact O-CB 3.44Å; Y131-T135 PolarHBondContact O-N 2.83Å; Y131-I136 HydrophobicContact CD1-CG1 4.11Å; Y131-I136 HydrophobicContact CE1-CD1 4.02Å; Y131-I136 HydrophobicContact CE1-CG1 3.63Å; Y131-I136 HydrophobicContact CE2-CD1 4.47Å; Y131-I136 PolarHBondContact O-N 3.04Å; Y131-E447 PolarHBondContact OH-OE1 3.47Å; Y131-M485 HydrophobicContact CE1-CE 4.45Å; Y131-W487 AromaticContact CD1-CH2 3.54Å; Y131-W487 HydrophobicContact CD1-CH2 3.54Å; Y131-W487 AromaticContact CD1-CZ3 3.83Å; Y131-W487 HydrophobicContact CD1-CZ3 3.83Å; Y131-W487 HydrophobicContact CD2-CH2 4.39Å; Y131-W487 AromaticContact CD2-CZ3 3.86Å; Y131-W487 HydrophobicContact CD2-CZ3 3.86Å; Y131-W487 AromaticContact CE1-CH2 3.72Å; Y131-W487 HydrophobicContact CE1-CH2 3.72Å; Y131-W487 AromaticContact CE1-CZ3 3.84Å; Y131-W487 HydrophobicContact CE1-CZ3 3.84Å; Y131-W487 AromaticContact CE2-CZ3 3.87Å; Y131-W487 HydrophobicContact CE2-CZ3 3.87Å; Y131-W487 AromaticContact CG-CH2 3.87Å; Y131-W487 HydrophobicContact CG-CH2 3.87Å; Y131-W487 AromaticContact CG-CZ3 3.81Å; Y131-W487 HydrophobicContact CG-CZ3 3.81Å; Y131-W487 AromaticContact CZ-CZ3 3.83Å; Y131-V517 HydrophobicContact CD2-CG1 4.26Å; Y131-V517 HydrophobicContact CE2-CG1 3.44Å; Y131-V517 VanDerWaalsContact CE2-CG1 3.44Å; Y131-V517 HydrophobicContact CE2-CG2 4.41Å; Y131-V517 WeakPolarHBondContact OH-CG2 3.3Å; Y131-F530 HydrophobicContact CE2-CE2 4.34Å; Y131-F530 AromaticContact CE2-CZ 3.9Å; Y131-F530 HydrophobicContact CE2-CZ 3.9Å; Y131-F530 VanDerWaalsContact OH-CE2 3.29Å; Y131-F530 WeakPolarHBondContact OH-CE2 3.38Å
132	I	98.6	Very high	98.2	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.161	C	C	.	.	I	π-helix	trans	-61.5	-44.5	179	-62.9	174.3	0	0	0	110.8	Y104 Y111 L125 R128 L129 G137 A138 I141 I189	Y104-I132 HydrophobicContact CD1-CB 4.47Å; Y104-I132 HydrophobicContact CD1-CD1 3.83Å; Y104-I132 HydrophobicContact CD1-CG1 3.72Å; Y104-I132 HydrophobicContact CD1-CG2 4.05Å; Y104-I132 HydrophobicContact CE1-CD1 4.14Å; Y104-I132 HydrophobicContact CE1-CG1 3.88Å; Y104-I132 HydrophobicContact CG-CG2 4.2Å; Y111-I132 HydrophobicContact CE1-CD1 4.18Å; Y111-I132 WeakPolarHBondContact OH-CG1 3.5Å; L125-I132 HydrophobicContact CD1-CD1 3.86Å; R128-I132 PolarHBondContact O-N 3.17Å; L129-I132 PolarHBondContact O-N 2.84Å; I132-G137 PolarHBondContact O-N 3.08Å; I132-A138 HydrophobicContact CG2-CB 3.89Å; I132-A138 PolarHBondContact O-N 2.86Å; I132-I141 HydrophobicContact CD1-CD1 3.7Å; I132-I141 HydrophobicContact CD1-CG1 4.21Å; I132-I141 HydrophobicContact CG2-CD1 4.28Å; I132-I141 HydrophobicContact CG2-CG1 4.07Å; I132-I189 HydrophobicContact CG2-CD1 4.35Å
133	K	98.2	Very high	98.2	Very high	72 Å²	72	32.4 Å²	32.4	31%	0.313	16%	0.161	S	C	.	.	I	π-helix	trans	-75.7	-50.8	-175.5	-177.5	56.8	175.4	-170.8	0	113.3	L129 Y131 G137 H187 G188 I189	L129-K133 WeakPolarHBondContact O-CB 3.42Å; L129-K133 PolarHBondContact O-N 2.84Å; Y131-K133 VanDerWaalsContact C-N 3.35Å; Y131-K133 PolarHBondContact O-N 3.31Å; K133-G137 WeakPolarHBondContact O-CA 3.35Å; K133-G137 PolarHBondContact O-N 3.02Å; K133-H187 WeakPolarHBondContact CD-O 3.37Å; K133-H187 WeakPolarHBondContact CE-O 3.33Å; K133-G188 PolarHBondContact NZ-O 3.24Å; K133-I189 HydrophobicContact CB-CD1 3.83Å; K133-I189 HydrophobicContact CB-CG1 4.45Å; K133-I189 HydrophobicContact CD-CD1 4.38Å; K133-I189 HydrophobicContact CD-CG1 4.07Å
134	S	97.1	Very high	98.1	Very high	72 Å²	72	28.3 Å²	28.3	50%	0.503	15%	0.146	S	C	.	.	I	π-helix	trans	-102.8	-36.5	-165.9	-61.6	0	0	0	0	112.4	E130	E130-S134 VanDerWaalsContact CD-OG 3.32Å; E130-S134 WeakPolarHBondContact O-CA 3.31Å; E130-S134 VanDerWaalsContact O-CB 3.3Å; E130-S134 WeakPolarHBondContact O-CB 3.29Å; E130-S134 PolarHBondContact O-N 2.81Å; E130-S134 WeakPolarHBondContact OE1-CB 3.24Å; E130-S134 PolarHBondContact OE1-OG 2.84Å
135	T	97.3	Very high	98	Very high	42 Å²	42	28.9 Å²	28.9	26%	0.258	15%	0.15	S	C	.	.	I	π-helix	trans	-78.8	-53.1	176.7	-49.4	0	0	0	0	111	Y131 F530 Q534	Y131-T135 HydrophobicContact CD2-CG2 3.8Å; Y131-T135 HydrophobicContact CE2-CG2 3.79Å; Y131-T135 CarbonylContact O-C 3.6Å; Y131-T135 WeakPolarHBondContact O-CA 3.39Å; Y131-T135 WeakPolarHBondContact O-CB 3.44Å; Y131-T135 PolarHBondContact O-N 2.83Å; T135-F530 HydrophobicContact CG2-CE1 3.88Å; T135-F530 HydrophobicContact CG2-CZ 3.74Å; T135-Q534 WeakPolarHBondContact O-CG 3.24Å; T135-Q534 PolarHBondContact O-NE2 2.91Å
136	I	98.1	Very high	97.9	Very high	3 Å²	3	28.9 Å²	28.9	2%	0.015	15%	0.15	C	C	.	.	I	π-helix	trans	-80	-38.9	179.3	-60.6	-58	0	0	0	111.5	Y104 Y131 A138 L442 E447 F530 V537	Y104-I136 HydrophobicContact CD2-CG2 4.05Å; Y104-I136 HydrophobicContact CE2-CG1 4.23Å; Y104-I136 HydrophobicContact CE2-CG2 4.32Å; Y131-I136 HydrophobicContact CD1-CG1 4.11Å; Y131-I136 HydrophobicContact CE1-CD1 4.02Å; Y131-I136 HydrophobicContact CE1-CG1 3.63Å; Y131-I136 HydrophobicContact CE2-CD1 4.47Å; Y131-I136 PolarHBondContact O-N 3.04Å; I136-A138 HydrophobicContact CG2-CB 4.33Å; I136-L442 HydrophobicContact CG2-CD2 3.79Å; I136-E447 HydrophobicContact CD1-CB 4.27Å; I136-E447 HydrophobicContact CD1-CG 3.95Å; I136-F530 HydrophobicContact CD1-CE2 3.99Å; I136-F530 HydrophobicContact CD1-CZ 3.94Å; I136-V537 WeakPolarHBondContact O-CB 3.48Å; I136-V537 VanDerWaalsContact O-CG1 3.24Å; I136-V537 WeakPolarHBondContact O-CG1 3.01Å
137	G	97.8	Very high	97.8	Very high	15 Å²	15	27.9 Å²	27.9	16%	0.155	14%	0.144	C	C	.	.			trans	92.1	13.5	-178.9	0	0	0	0	0	114.7	I132 K133	I132-G137 PolarHBondContact O-N 3.08Å; K133-G137 WeakPolarHBondContact O-CA 3.35Å; K133-G137 PolarHBondContact O-N 3.02Å
138	A	98.4	Very high	97.7	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.123	C	C	.	.			trans	-70.9	151.5	-177.6	0	0	0	0	0	112.5	T102 I132 I136	T102-A138 WeakPolarHBondContact O-CA 3.4Å; T102-A138 WeakPolarHBondContact O-CB 3.18Å; I132-A138 HydrophobicContact CG2-CB 3.89Å; I132-A138 PolarHBondContact O-N 2.86Å; I136-A138 HydrophobicContact CG2-CB 4.33Å
139	G	98.4	Very high	97.3	Very high	6 Å²	6	19 Å²	19	6%	0.062	11%	0.11	C	C	.	.	S	Bend	trans	-113.2	-8.5	-178.9	0	0	0	0	0	114.7	T102 I189 H190	T102-G139 PolarHBondContact O-N 3.27Å; G139-I189 WeakPolarHBondContact O-CA 3.39Å; G139-H190 PolarHBondContact O-N 2.78Å; G139-H190 VanDerWaalsContact O-N 3.09Å; G139-H190 PolarHBondContact O-ND1 3.34Å
140	F	98.9	Very high	96.9	Very high	4 Å²	4	20.3 Å²	20.3	2%	0.018	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	155.3	171.8	67.9	-82.8	0	0	0	110.8	F97 W98 S101 G103 Y104 V142 H190 V192 T439 L441	F97-F140 HydrophobicContact CD2-CB 3.82Å; F97-F140 AromaticContact CD2-CD1 3.98Å; F97-F140 HydrophobicContact CD2-CD1 3.98Å; F97-F140 AromaticContact CD2-CG 3.91Å; F97-F140 HydrophobicContact CD2-CG 3.91Å; F97-F140 HydrophobicContact CE2-CB 3.85Å; F97-F140 HydrophobicContact CE2-CD1 4.29Å; F97-F140 HydrophobicContact CE2-CD2 4.11Å; F97-F140 AromaticContact CE2-CG 3.85Å; F97-F140 HydrophobicContact CE2-CG 3.85Å; W98-F140 HydrophobicContact CB-CE1 4.27Å; W98-F140 HydrophobicContact CB-CZ 4.23Å; S101-F140 WeakPolarHBondContact O-CE1 3.5Å; G103-F140 CarbonylContact C-O 3.37Å; G103-F140 VanDerWaalsContact CA-CE2 3.49Å; G103-F140 WeakPolarHBondContact CA-O 3.49Å; Y104-F140 PolarHBondContact N-O 3.14Å; F140-V142 HydrophobicContact CD2-CG2 4.03Å; F140-V142 HydrophobicContact CE2-CG2 3.72Å; F140-H190 CarbonylContact C-O 3.56Å; F140-H190 WeakPolarHBondContact CA-O 2.93Å; F140-H190 HydrophobicContact CB-CB 3.76Å; F140-H190 WeakPolarHBondContact CB-O 3.39Å; F140-V192 HydrophobicContact CD2-CG2 4.09Å; F140-T439 HydrophobicContact CE1-CG2 4.41Å; F140-T439 HydrophobicContact CZ-CG2 3.79Å; F140-L441 HydrophobicContact CE2-CD1 4.39Å
141	I	98.9	Very high	96.3	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	135.2	173.6	-69.2	166.6	0	0	0	108	Y104 V106 L129 I132 L143 F180 I189 H190 V192	Y104-I141 CarbonylContact O-C 3.29Å; Y104-I141 VanDerWaalsContact O-CA 3.26Å; Y104-I141 WeakPolarHBondContact O-CA 3.35Å; V106-I141 HydrophobicContact CG2-CG2 4.48Å; L129-I141 HydrophobicContact CD2-CD1 3.7Å; I132-I141 HydrophobicContact CD1-CD1 3.7Å; I132-I141 HydrophobicContact CD1-CG1 4.21Å; I132-I141 HydrophobicContact CG2-CD1 4.28Å; I132-I141 HydrophobicContact CG2-CG1 4.07Å; I141-L143 HydrophobicContact CG2-CB 4.44Å; I141-F180 HydrophobicContact CD1-CE2 4.45Å; I141-F180 HydrophobicContact CD1-CZ 4.41Å; I141-I189 HydrophobicContact CB-CG2 4.38Å; I141-I189 HydrophobicContact CD1-CG2 3.84Å; I141-I189 HydrophobicContact CG1-CG2 3.75Å; I141-H190 PolarHBondContact N-O 3.33Å; I141-V192 PolarHBondContact O-N 2.91Å
142	V	98.9	Very high	95.6	Very high	6 Å²	6	17.6 Å²	17.6	4%	0.036	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	111.3	161	-177.7	0	0	0	0	106.2	Y104 W105 V106 F140 V192 L276 L441	Y104-V142 PolarHBondContact O-N 2.82Å; W105-V142 CarbonylContact C-O 3.51Å; W105-V142 WeakPolarHBondContact CA-O 3.42Å; W105-V142 HydrophobicContact CB-CB 4.17Å; W105-V142 VanDerWaalsContact CD1-O 3.22Å; W105-V142 HydrophobicContact CD2-CG1 4.47Å; W105-V142 HydrophobicContact CG-CB 3.99Å; W105-V142 HydrophobicContact CG-CG1 4.08Å; V106-V142 PolarHBondContact N-O 3.19Å; F140-V142 HydrophobicContact CD2-CG2 4.03Å; F140-V142 HydrophobicContact CE2-CG2 3.72Å; V142-V192 CarbonylContact C-O 3.1Å; V142-V192 WeakPolarHBondContact CA-O 3.42Å; V142-V192 HydrophobicContact CG1-CG1 4.39Å; V142-V192 HydrophobicContact CG2-CB 4.13Å; V142-V192 HydrophobicContact CG2-CG1 4.35Å; V142-L276 HydrophobicContact CG1-CB 4.26Å; V142-L276 HydrophobicContact CG1-CD2 3.61Å; V142-L441 HydrophobicContact CB-CD1 4.28Å; V142-L441 HydrophobicContact CG2-CD1 3.61Å
143	L	98.5	Very high	94.9	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	127.3	178.8	-165.9	69.4	0	0	0	108.1	P108 L122 L125 I141 I146 F180 V192 L193 T194	P108-L143 HydrophobicContact CB-CD1 4.06Å; P108-L143 HydrophobicContact CG-CD1 3.85Å; P108-L143 HydrophobicContact CG-CG 4.33Å; L122-L143 HydrophobicContact CD2-CD2 3.95Å; L125-L143 HydrophobicContact CD2-CD1 3.56Å; I141-L143 HydrophobicContact CG2-CB 4.44Å; L143-I146 HydrophobicContact CD2-CD1 4.01Å; L143-I146 HydrophobicContact CD2-CG2 3.8Å; L143-I146 HydrophobicContact CG-CG2 4.12Å; L143-F180 HydrophobicContact CD2-CE1 4.07Å; L143-V192 PolarHBondContact N-O 3.37Å; L143-L193 HydrophobicContact CB-CD1 4.33Å; L143-L193 HydrophobicContact CD2-CD1 4.24Å; L143-T194 WeakPolarHBondContact O-CB 3.14Å; L143-T194 PolarHBondContact O-N 3.23Å; L143-T194 PolarHBondContact O-OG1 2.88Å; L143-T194 VanDerWaalsContact O-OG1 3.1Å
144	T	96.2	Very high	93.9	Very high	12 Å²	12	21.4 Å²	21.4	7%	0.074	13%	0.131	C	C	.	.	P	Polyproline II helix	trans	-59.7	170.2	170.4	62.6	0	0	0	0	110.8	V106 N107 P108 I146 T419	V106-T144 PolarHBondContact O-N 3.41Å; N107-T144 WeakPolarHBondContact CA-OG1 3.37Å; N107-T144 HydrophobicContact CB-CG2 4.05Å; P108-T144 VanDerWaalsContact CD-OG1 3.27Å; P108-T144 WeakPolarHBondContact CD-OG1 3.43Å; T144-I146 PolarHBondContact O-N 2.93Å; T144-T419 HydrophobicContact CG2-CG2 3.58Å
145	S	94.7	Very high	92.9	Very high	11 Å²	11	21.1 Å²	21.1	8%	0.077	12%	0.121	C	C	.	.	P	Polyproline II helix	trans	-50.5	138.6	176.7	175.3	0	0	0	0	111.3	F147 Q150	S145-F147 VanDerWaalsContact OG-CD2 3.23Å; S145-F147 WeakPolarHBondContact OG-CD2 3.49Å; S145-Q150 WeakPolarHBondContact O-CG 3.46Å; S145-Q150 VanDerWaalsContact OG-CD 3.31Å; S145-Q150 PolarHBondContact OG-OE1 3.31Å
146	I	96.2	Very high	91.8	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.129	C	C	.	.			trans	-130.6	14.2	176.6	60.3	168.1	0	0	0	111.5	P108 L122 L143 T144 I167 D168 A171 F177 L193	P108-I146 HydrophobicContact CG-CG2 3.55Å; L122-I146 HydrophobicContact CD1-CD1 4.33Å; L143-I146 HydrophobicContact CD2-CD1 4.01Å; L143-I146 HydrophobicContact CD2-CG2 3.8Å; L143-I146 HydrophobicContact CG-CG2 4.12Å; T144-I146 PolarHBondContact O-N 2.93Å; I146-I167 HydrophobicContact CD1-CD1 4.24Å; I146-I167 HydrophobicContact CD1-CG1 4.32Å; I146-I167 HydrophobicContact CD1-CG2 4.47Å; I146-I167 CarbonylContact O-C 3.59Å; I146-I167 WeakPolarHBondContact O-CA 3.36Å; I146-D168 PolarHBondContact O-N 3.42Å; I146-A171 HydrophobicContact CB-CB 4.32Å; I146-A171 HydrophobicContact CG2-CB 4.44Å; I146-F177 HydrophobicContact CD1-CD2 3.6Å; I146-F177 HydrophobicContact CD1-CE2 3.85Å; I146-L193 HydrophobicContact CD1-CD1 4.32Å; I146-L193 HydrophobicContact CG1-CD1 3.92Å
147	F	97.2	Very high	90.8	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	156.8	-173.8	-56.3	-57.5	0	0	0	111.6	S145 G149 Q150 V161 F164 N166 D168 L193 T194 M195 W267	S145-F147 VanDerWaalsContact OG-CD2 3.23Å; S145-F147 WeakPolarHBondContact OG-CD2 3.49Å; F147-G149 PolarHBondContact O-N 3.26Å; F147-Q150 WeakPolarHBondContact O-CB 3.3Å; F147-Q150 PolarHBondContact O-N 3.16Å; F147-V161 HydrophobicContact CB-CG1 3.71Å; F147-V161 HydrophobicContact CB-CG2 4.23Å; F147-F164 WeakPolarHBondContact CD1-O 3.29Å; F147-F164 AromaticContact CD2-CD1 3.82Å; F147-F164 HydrophobicContact CD2-CD1 3.82Å; F147-F164 HydrophobicContact CD2-CE1 4.22Å; F147-F164 HydrophobicContact CE2-CD1 4.2Å; F147-F164 HydrophobicContact CG-CD1 4.07Å; F147-N166 CarbonylContact C-O 3.57Å; F147-N166 WeakPolarHBondContact CA-O 3.36Å; F147-D168 WeakPolarHBondContact O-CB 3.44Å; F147-L193 HydrophobicContact CE1-CD2 3.82Å; F147-L193 HydrophobicContact CZ-CD2 3.69Å; F147-L193 HydrophobicContact CZ-CG 4.01Å; F147-T194 WeakPolarHBondContact CE2-O 3.5Å; F147-M195 HydrophobicContact CE2-CB 4.28Å; F147-M195 HydrophobicContact CE2-CG 3.66Å; F147-M195 HydrophobicContact CZ-CE 3.99Å; F147-M195 HydrophobicContact CZ-CG 3.52Å; F147-M195 HydrophobicContact CZ-SD 4.47Å; F147-W267 AromaticContact CD1-CZ2 3.79Å; F147-W267 HydrophobicContact CD1-CZ2 3.79Å; F147-W267 HydrophobicContact CE1-CD2 4.21Å; F147-W267 AromaticContact CE1-CE2 3.46Å; F147-W267 VanDerWaalsContact CE1-CE2 3.46Å; F147-W267 HydrophobicContact CE1-CH2 4.39Å; F147-W267 AromaticContact CE1-CZ2 3.58Å; F147-W267 HydrophobicContact CE1-CZ2 3.58Å; F147-W267 AromaticContact CE1-NE1 3.41Å
148	S	95.7	Very high	89.9	Confident	30 Å²	30	23.6 Å²	23.6	21%	0.21	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.7	133	178.2	-165.6	0	0	0	0	111.1	Q150 D162 D163 N166	S148-Q150 VanDerWaalsContact C-N 3.28Å; S148-Q150 PolarHBondContact O-N 2.94Å; S148-D162 PolarHBondContact O-N 3.08Å; S148-D163 PolarHBondContact N-O 3.07Å; S148-D163 PolarHBondContact O-N 2.99Å; S148-N166 PolarHBondContact N-O 3.44Å
149	G	90.7	Very high	89.1	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.5	-15.3	-176.6	0	0	0	0	0	114.5	F147 Y151 T152 N153 L160 D168	F147-G149 PolarHBondContact O-N 3.26Å; G149-Y151 PolarHBondContact O-N 3.23Å; G149-Y151 VanDerWaalsContact O-N 3.08Å; G149-T152 WeakPolarHBondContact CA-O 3.46Å; G149-N153 PolarHBondContact O-ND2 2.97Å; G149-L160 CarbonylContact C-O 3.59Å; G149-L160 VanDerWaalsContact C-O 3.23Å; G149-D168 PolarHBondContact N-OD2 3.17Å
150	Q	89.2	Confident	88.5	Confident	27 Å²	27	24.5 Å²	24.5	13%	0.126	13%	0.134	C	C	.	.	S	Bend	trans	-50.8	-40.2	179.2	176.2	63.1	33.4	0	0	112	F109 S145 F147 S148 L158 G159 D168	F109-Q150 HydrophobicContact CE2-CG 3.94Å; F109-Q150 HydrophobicContact CZ-CG 4.37Å; S145-Q150 WeakPolarHBondContact O-CG 3.46Å; S145-Q150 VanDerWaalsContact OG-CD 3.31Å; S145-Q150 PolarHBondContact OG-OE1 3.31Å; F147-Q150 WeakPolarHBondContact O-CB 3.3Å; F147-Q150 PolarHBondContact O-N 3.16Å; S148-Q150 VanDerWaalsContact C-N 3.28Å; S148-Q150 PolarHBondContact O-N 2.94Å; Q150-L158 WeakPolarHBondContact O-CA 3.35Å; Q150-L158 WeakPolarHBondContact O-CD1 3.41Å; Q150-G159 PolarHBondContact O-N 2.85Å; Q150-D168 PolarHBondContact N-OD2 3.45Å
151	Y	84.6	Confident	88.2	Confident	12 Å²	12	24.6 Å²	24.6	5%	0.047	14%	0.135	C	C	.	.	S	Bend	trans	-126.1	-50	-178.8	174.3	-83.7	0	0	0	111.1	F109 I119 G149 N153 L158 D168 A170 P463	F109-Y151 HydrophobicContact CD1-CD2 4.3Å; F109-Y151 HydrophobicContact CD1-CG 4.04Å; F109-Y151 HydrophobicContact CE1-CD1 4.48Å; F109-Y151 HydrophobicContact CE1-CG 4.09Å; F109-Y151 HydrophobicContact CG-CD2 4.36Å; F109-Y151 HydrophobicContact CG-CG 4.47Å; I119-Y151 HydrophobicContact CD1-CE1 3.71Å; I119-Y151 WeakPolarHBondContact CD1-OH 3.47Å; I119-Y151 HydrophobicContact CG1-CE1 4.4Å; I119-Y151 VanDerWaalsContact CG1-OH 3.26Å; I119-Y151 WeakPolarHBondContact CG1-OH 3.37Å; I119-Y151 HydrophobicContact CG2-CE1 4.17Å; I119-Y151 HydrophobicContact CG2-CE2 4.32Å; G149-Y151 PolarHBondContact O-N 3.23Å; G149-Y151 VanDerWaalsContact O-N 3.08Å; Y151-N153 PolarHBondContact O-N 2.97Å; Y151-L158 HydrophobicContact CD2-CD1 4.31Å; Y151-D168 WeakPolarHBondContact CA-OD2 3.32Å; Y151-D168 PolarHBondContact N-OD2 2.88Å; Y151-A170 HydrophobicContact CD1-CB 3.54Å; Y151-A170 HydrophobicContact CE1-CB 3.85Å; Y151-A170 HydrophobicContact CG-CB 4.47Å; Y151-P463 HydrophobicContact CE2-CB 3.67Å; Y151-P463 HydrophobicContact CE2-CG 3.7Å; Y151-P463 WeakPolarHBondContact OH-CB 3.43Å; Y151-P463 WeakPolarHBondContact OH-CG 3.32Å
152	T	84.4	Confident	87.9	Confident	57 Å²	57	26.4 Å²	26.4	35%	0.35	15%	0.145	S	C	.	.			trans	-88.1	89.1	176.3	53.1	0	0	0	0	111.1	G149 D168 P169 A170	G149-T152 WeakPolarHBondContact CA-O 3.46Å; T152-D168 WeakPolarHBondContact CB-OD1 3.35Å; T152-D168 WeakPolarHBondContact CG2-OD1 3.29Å; T152-D168 PolarHBondContact N-OD1 3.46Å; T152-D168 PolarHBondContact N-OD2 2.95Å; T152-D168 PolarHBondContact OG1-OD1 3Å; T152-D168 PolarHBondContact OG1-OD2 2.85Å; T152-P169 VanDerWaalsContact OG1-CD 3.3Å; T152-P169 WeakPolarHBondContact OG1-CD 3.41Å; T152-A170 HydrophobicContact CG2-CB 3.84Å
153	N	83.4	Confident	87.7	Confident	17 Å²	17	27.9 Å²	27.9	9%	0.091	15%	0.153	C	C	.	.			trans	-131.8	157.3	167.4	62.9	79.7	0	0	0	111.4	G149 Y151 Q155 K156 T157	G149-N153 PolarHBondContact O-ND2 2.97Å; Y151-N153 PolarHBondContact O-N 2.97Å; N153-Q155 PolarHBondContact O-N 3.29Å; N153-Q155 VanDerWaalsContact O-N 3.08Å; N153-Q155 VanDerWaalsContact OD1-C 3.27Å; N153-Q155 WeakPolarHBondContact OD1-CA 3.33Å; N153-Q155 WeakPolarHBondContact OD1-CB 3.44Å; N153-Q155 PolarHBondContact OD1-N 2.79Å; N153-Q155 VanDerWaalsContact OD1-N 3.08Å; N153-K156 PolarHBondContact O-N 2.79Å; N153-K156 PolarHBondContact OD1-N 3.02Å; N153-T157 PolarHBondContact ND2-N 3.13Å; N153-T157 PolarHBondContact ND2-O 3.46Å; N153-T157 PolarHBondContact OD1-N 3.02Å
154	D	76.4	Confident	87.7	Confident	135 Å²	135	27.9 Å²	27.9	72%	0.722	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-22.8	-177.9	-68.4	-26	0	0	0	113.6	K156 K203	D154-K156 VanDerWaalsContact C-N 3.33Å; D154-K203 IonicContact OD2-NZ 3.27Å; D154-K203 PolarHBondContact OD2-NZ 3.18Å
155	Q	76.8	Confident	87.7	Confident	66 Å²	66	30.7 Å²	30.7	31%	0.308	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-1.8	179.4	-54	-171.1	3.1	0	0	112.7	N153 T157 L160 Q245	N153-Q155 PolarHBondContact O-N 3.29Å; N153-Q155 VanDerWaalsContact O-N 3.08Å; N153-Q155 VanDerWaalsContact OD1-C 3.27Å; N153-Q155 WeakPolarHBondContact OD1-CA 3.33Å; N153-Q155 WeakPolarHBondContact OD1-CB 3.44Å; N153-Q155 PolarHBondContact OD1-N 2.79Å; N153-Q155 VanDerWaalsContact OD1-N 3.08Å; Q155-T157 PolarHBondContact O-N 3.39Å; Q155-T157 VanDerWaalsContact O-N 3.12Å; Q155-T157 PolarHBondContact O-OG1 3.36Å; Q155-L160 HydrophobicContact CB-CD2 4.07Å; Q155-L160 HydrophobicContact CG-CD2 4.07Å; Q155-L160 VanDerWaalsContact OE1-CD2 3.24Å; Q155-Q245 VanDerWaalsContact OE1-CD 3.31Å
156	K	75	Confident	87.9	Confident	96 Å²	96	34 Å²	34	42%	0.417	18%	0.179	S	C	.	.			trans	48.1	36.5	-174.4	-58.9	-168.1	168.7	-132.9	0	112.9	N153 D154 E466 V469	N153-K156 PolarHBondContact O-N 2.79Å; N153-K156 PolarHBondContact OD1-N 3.02Å; D154-K156 VanDerWaalsContact C-N 3.33Å; K156-E466 IonicContact NZ-OE2 2.79Å; K156-E466 PolarHBondContact NZ-OE2 3.13Å; K156-V469 PolarHBondContact O-N 3.15Å
157	T	76.8	Confident	87.9	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-110.1	111.7	-170.7	-63.8	0	0	0	0	110.4	N153 Q155 G159 L160 Q245 F246 V469 T471	N153-T157 PolarHBondContact ND2-N 3.13Å; N153-T157 PolarHBondContact ND2-O 3.46Å; N153-T157 PolarHBondContact OD1-N 3.02Å; Q155-T157 PolarHBondContact O-N 3.39Å; Q155-T157 VanDerWaalsContact O-N 3.12Å; Q155-T157 PolarHBondContact O-OG1 3.36Å; T157-G159 PolarHBondContact O-N 3.47Å; T157-L160 HydrophobicContact CG2-CB 4.3Å; T157-L160 WeakPolarHBondContact O-CB 3.42Å; T157-L160 PolarHBondContact O-N 3.09Å; T157-Q245 PolarHBondContact OG1-NE2 3.05Å; T157-Q245 PolarHBondContact OG1-OE1 3.28Å; T157-F246 HydrophobicContact CG2-CZ 4.46Å; T157-V469 VanDerWaalsContact CA-O 3.32Å; T157-V469 WeakPolarHBondContact CA-O 3.45Å; T157-T471 HydrophobicContact CG2-CG2 3.26Å
158	L	79	Confident	87.9	Confident	16 Å²	16	34.5 Å²	34.5	8%	0.084	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	137.2	-176.5	-172.3	80.4	0	0	0	111.3	Q150 Y151 L160 F470	Q150-L158 WeakPolarHBondContact O-CA 3.35Å; Q150-L158 WeakPolarHBondContact O-CD1 3.41Å; Y151-L158 HydrophobicContact CD2-CD1 4.31Å; L158-L160 VanDerWaalsContact C-N 3.33Å; L158-F470 HydrophobicContact CD2-CD1 4.12Å; L158-F470 HydrophobicContact CD2-CE1 3.65Å; L158-F470 HydrophobicContact CD2-CZ 4.46Å
159	G	81.8	Confident	87.8	Confident	25 Å²	25	37.4 Å²	37.4	26%	0.258	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.4	-1.5	178.1	0	0	0	0	0	114.6	Q150 T157 V161	Q150-G159 PolarHBondContact O-N 2.85Å; T157-G159 PolarHBondContact O-N 3.47Å; G159-V161 PolarHBondContact O-N 2.63Å
160	L	85.7	Confident	87.9	Confident	1 Å²	1	38 Å²	38	1%	0.005	21%	0.205	C	C	.	.			trans	-82.2	77.5	-177.8	-168.1	65.2	0	0	0	111.4	G149 Q155 T157 L158 D162 Q245 F246	G149-L160 CarbonylContact C-O 3.59Å; G149-L160 VanDerWaalsContact C-O 3.23Å; Q155-L160 HydrophobicContact CB-CD2 4.07Å; Q155-L160 HydrophobicContact CG-CD2 4.07Å; Q155-L160 VanDerWaalsContact OE1-CD2 3.24Å; T157-L160 HydrophobicContact CG2-CB 4.3Å; T157-L160 WeakPolarHBondContact O-CB 3.42Å; T157-L160 PolarHBondContact O-N 3.09Å; L158-L160 VanDerWaalsContact C-N 3.33Å; L160-D162 PolarHBondContact O-N 3.44Å; L160-Q245 HydrophobicContact CD1-CB 4.48Å; L160-Q245 WeakPolarHBondContact CD1-O 3.36Å; L160-F246 HydrophobicContact CB-CE1 4.29Å; L160-F246 HydrophobicContact CD1-CD1 3.47Å; L160-F246 VanDerWaalsContact CD1-CD1 3.47Å; L160-F246 HydrophobicContact CD1-CE1 3.72Å; L160-F246 HydrophobicContact CD1-CG 3.96Å; L160-F246 HydrophobicContact CD1-CZ 4.42Å
161	V	91.6	Very high	88.2	Confident	6 Å²	6	36.8 Å²	36.8	4%	0.036	20%	0.2	C	C	.	.			trans	-68.1	125	-174.6	178.5	0	0	0	0	112	F147 G159 F164 S201	F147-V161 HydrophobicContact CB-CG1 3.71Å; F147-V161 HydrophobicContact CB-CG2 4.23Å; G159-V161 PolarHBondContact O-N 2.63Å; V161-F164 HydrophobicContact CB-CE1 4.31Å; V161-F164 HydrophobicContact CG1-CD1 3.84Å; V161-F164 HydrophobicContact CG1-CE1 3.78Å; V161-F164 HydrophobicContact CG1-CG 4.25Å; V161-F164 HydrophobicContact CG1-CZ 4.16Å; V161-F164 HydrophobicContact CG2-CE1 4.45Å; V161-S201 WeakPolarHBondContact O-CB 3.35Å; V161-S201 PolarHBondContact O-N 2.75Å
162	D	92.6	Very high	88.8	Confident	37 Å²	37	37.2 Å²	37.2	20%	0.198	21%	0.207	C	C	.	.	S	Bend	trans	-95.4	-29.7	177.7	-71.7	-40.2	0	0	0	112.7	S148 L160 S201 H204	S148-D162 PolarHBondContact O-N 3.08Å; L160-D162 PolarHBondContact O-N 3.44Å; D162-S201 WeakPolarHBondContact OD1-CB 3.49Å; D162-S201 PolarHBondContact OD1-OG 3.27Å; D162-H204 WeakPolarHBondContact O-CA 3.37Å; D162-H204 PolarHBondContact O-CD2 3.46Å
163	D	95.7	Very high	89.5	Confident	38 Å²	38	37.6 Å²	37.6	20%	0.203	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	120.7	177.6	-176.6	2.8	0	0	0	112.6	S148 Y165 N166	S148-D163 PolarHBondContact N-O 3.07Å; S148-D163 PolarHBondContact O-N 2.99Å; D163-Y165 VanDerWaalsContact C-N 3.34Å; D163-Y165 PolarHBondContact O-N 3.34Å; D163-Y165 PolarHBondContact OD1-N 3.17Å; D163-N166 PolarHBondContact OD2-ND2 3.28Å
164	F	97.6	Very high	90.1	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	-16	177.3	-70.3	-66.8	0	0	0	115.3	F147 V161 D196 F197 V200 H204 W206 V263 W267	F147-F164 WeakPolarHBondContact CD1-O 3.29Å; F147-F164 AromaticContact CD2-CD1 3.82Å; F147-F164 HydrophobicContact CD2-CD1 3.82Å; F147-F164 HydrophobicContact CD2-CE1 4.22Å; F147-F164 HydrophobicContact CE2-CD1 4.2Å; F147-F164 HydrophobicContact CG-CD1 4.07Å; V161-F164 HydrophobicContact CB-CE1 4.31Å; V161-F164 HydrophobicContact CG1-CD1 3.84Å; V161-F164 HydrophobicContact CG1-CE1 3.78Å; V161-F164 HydrophobicContact CG1-CG 4.25Å; V161-F164 HydrophobicContact CG1-CZ 4.16Å; V161-F164 HydrophobicContact CG2-CE1 4.45Å; F164-D196 WeakPolarHBondContact CE1-O 3.29Å; F164-D196 WeakPolarHBondContact CZ-O 3.4Å; F164-F197 HydrophobicContact CD1-CE1 4.16Å; F164-F197 HydrophobicContact CD2-CE1 4.4Å; F164-F197 HydrophobicContact CE1-CD1 4.14Å; F164-F197 HydrophobicContact CE1-CE1 4.05Å; F164-F197 HydrophobicContact CE2-CD1 4.13Å; F164-F197 HydrophobicContact CE2-CE1 4.29Å; F164-F197 HydrophobicContact CG-CE1 4.34Å; F164-F197 AromaticContact CZ-CD1 3.85Å; F164-F197 HydrophobicContact CZ-CD1 3.85Å; F164-F197 HydrophobicContact CZ-CE1 4.12Å; F164-V200 HydrophobicContact CE2-CG1 3.5Å; F164-V200 VanDerWaalsContact CE2-CG1 3.5Å; F164-V200 HydrophobicContact CZ-CG1 3.86Å; F164-H204 AromaticContact CD2-NE2 3.44Å; F164-H204 WeakPolarHBondContact CD2-NE2 3.16Å; F164-H204 AromaticContact CE2-NE2 3.84Å; F164-W206 HydrophobicContact CD2-CE3 4.46Å; F164-W206 AromaticContact CD2-CH2 3.6Å; F164-W206 HydrophobicContact CD2-CH2 3.6Å; F164-W206 HydrophobicContact CD2-CZ2 4.07Å; F164-W206 AromaticContact CD2-CZ3 3.82Å; F164-W206 HydrophobicContact CD2-CZ3 3.82Å; F164-W206 HydrophobicContact CE2-CE3 4.24Å; F164-W206 AromaticContact CE2-CH2 3.88Å; F164-W206 HydrophobicContact CE2-CH2 3.88Å; F164-W206 AromaticContact CE2-CZ3 3.62Å; F164-W206 HydrophobicContact CE2-CZ3 3.62Å; F164-V263 HydrophobicContact CB-CB 4.47Å; F164-V263 HydrophobicContact CB-CG1 3.76Å; F164-V263 HydrophobicContact CB-CG2 3.78Å; F164-V263 HydrophobicContact CG-CG1 4.31Å; F164-V263 HydrophobicContact CG-CG2 4.4Å; F164-W267 WeakPolarHBondContact O-CZ2 3.43Å; F164-W267 PolarHBondContact O-NE1 3.25Å
165	Y	97.7	Very high	91.2	Very high	70 Å²	70	38 Å²	38	28%	0.275	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	-12	-177.7	-68.1	-83.9	0	0	0	113.5	D163 V263 F266	D163-Y165 VanDerWaalsContact C-N 3.34Å; D163-Y165 PolarHBondContact O-N 3.34Å; D163-Y165 PolarHBondContact OD1-N 3.17Å; Y165-V263 HydrophobicContact CD2-CG2 4.46Å; Y165-V263 HydrophobicContact CE1-CG2 4.22Å; Y165-V263 HydrophobicContact CE2-CG2 3.71Å; Y165-V263 PolarHBondContact OH-N 3.44Å; Y165-F266 HydrophobicContact CD1-CB 4.17Å; Y165-F266 AromaticContact CD1-CD1 3.76Å; Y165-F266 HydrophobicContact CD1-CD1 3.76Å; Y165-F266 HydrophobicContact CD1-CD2 4.14Å; Y165-F266 HydrophobicContact CD1-CE1 4.16Å; Y165-F266 AromaticContact CD1-CG 3.75Å; Y165-F266 HydrophobicContact CD1-CG 3.75Å; Y165-F266 HydrophobicContact CE1-CB 3.88Å; Y165-F266 HydrophobicContact CE1-CD1 4.32Å; Y165-F266 HydrophobicContact CE1-CD2 4.45Å; Y165-F266 AromaticContact CE1-CG 3.97Å; Y165-F266 HydrophobicContact CE1-CG 3.97Å
166	N	97.4	Very high	92.2	Very high	80 Å²	80	36.1 Å²	36.1	43%	0.428	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	158.9	-178.2	-74.9	-61.4	0	0	0	111.2	F147 S148 D163	F147-N166 CarbonylContact C-O 3.57Å; F147-N166 WeakPolarHBondContact CA-O 3.36Å; S148-N166 PolarHBondContact N-O 3.44Å; D163-N166 PolarHBondContact OD2-ND2 3.28Å
167	I	97.7	Very high	93.4	Very high	12 Å²	12	31.6 Å²	31.6	6%	0.062	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	146.1	-179.8	-63.4	179.5	0	0	0	109.3	L122 I146 P169 A171 G172 M174 F177 W267	L122-I167 HydrophobicContact CD1-CD1 4.39Å; L122-I167 HydrophobicContact CD1-CG2 4.47Å; I146-I167 HydrophobicContact CD1-CD1 4.24Å; I146-I167 HydrophobicContact CD1-CG1 4.32Å; I146-I167 HydrophobicContact CD1-CG2 4.47Å; I146-I167 CarbonylContact O-C 3.59Å; I146-I167 WeakPolarHBondContact O-CA 3.36Å; I167-P169 VanDerWaalsContact O-CD 3.31Å; I167-P169 WeakPolarHBondContact O-CD 3.35Å; I167-A171 HydrophobicContact CG2-CB 3.84Å; I167-G172 WeakPolarHBondContact CG2-O 3.36Å; I167-M174 HydrophobicContact CD1-CG 4.49Å; I167-M174 HydrophobicContact CD1-SD 3.52Å; I167-M174 VanDerWaalsContact CD1-SD 3.52Å; I167-M174 HydrophobicContact CG1-SD 3.6Å; I167-M174 VanDerWaalsContact CG1-SD 3.6Å; I167-F177 HydrophobicContact CD1-CB 3.15Å; I167-F177 HydrophobicContact CD1-CD2 4.05Å; I167-F177 HydrophobicContact CD1-CG 3.68Å; I167-W267 HydrophobicContact CD1-CH2 4.2Å; I167-W267 HydrophobicContact CG1-CH2 3.79Å
168	D	95.7	Very high	94.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.195	C	C	.	.			trans	-56.9	123	169.8	-162.3	-69.2	0	0	0	110.2	F109 I146 F147 G149 Q150 Y151 T152 A170 A171 G172	F109-D168 HydrophobicContact CE1-CB 4.24Å; F109-D168 HydrophobicContact CZ-CB 3.93Å; I146-D168 PolarHBondContact O-N 3.42Å; F147-D168 WeakPolarHBondContact O-CB 3.44Å; G149-D168 PolarHBondContact N-OD2 3.17Å; Q150-D168 PolarHBondContact N-OD2 3.45Å; Y151-D168 WeakPolarHBondContact CA-OD2 3.32Å; Y151-D168 PolarHBondContact N-OD2 2.88Å; T152-D168 WeakPolarHBondContact CB-OD1 3.35Å; T152-D168 WeakPolarHBondContact CG2-OD1 3.29Å; T152-D168 PolarHBondContact N-OD1 3.46Å; T152-D168 PolarHBondContact N-OD2 2.95Å; T152-D168 PolarHBondContact OG1-OD1 3Å; T152-D168 PolarHBondContact OG1-OD2 2.85Å; D168-A170 PolarHBondContact O-N 3.22Å; D168-A170 WeakPolarHBondContact OD1-CB 3.21Å; D168-A170 PolarHBondContact OD1-N 3.35Å; D168-A171 HydrophobicContact CB-CB 4.36Å; D168-A171 WeakPolarHBondContact O-CA 3.31Å; D168-A171 WeakPolarHBondContact O-CB 3.28Å; D168-A171 PolarHBondContact O-N 2.84Å; D168-G172 PolarHBondContact O-N 2.82Å
169	P	94.6	Very high	95.4	Very high	90 Å²	90	38.7 Å²	38.7	58%	0.584	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-47.9	-30.8	176.6	-31.9	33.1	0	0	0	115.5	T152 I167 G172	T152-P169 VanDerWaalsContact OG1-CD 3.3Å; T152-P169 WeakPolarHBondContact OG1-CD 3.41Å; I167-P169 VanDerWaalsContact O-CD 3.31Å; I167-P169 WeakPolarHBondContact O-CD 3.35Å; P169-G172 PolarHBondContact O-N 2.82Å
170	A	92.4	Very high	96.2	Very high	14 Å²	14	37.5 Å²	37.5	12%	0.116	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-27	175.8	0	0	0	0	0	113.4	F109 I119 D121 Y151 T152 D168	F109-A170 HydrophobicContact CD1-CB 4.31Å; F109-A170 HydrophobicContact CE1-CB 4.03Å; I119-A170 HydrophobicContact CG2-CB 4.18Å; D121-A170 WeakPolarHBondContact CB-O 3.4Å; Y151-A170 HydrophobicContact CD1-CB 3.54Å; Y151-A170 HydrophobicContact CE1-CB 3.85Å; Y151-A170 HydrophobicContact CG-CB 4.47Å; T152-A170 HydrophobicContact CG2-CB 3.84Å; D168-A170 PolarHBondContact O-N 3.22Å; D168-A170 WeakPolarHBondContact OD1-CB 3.21Å; D168-A170 PolarHBondContact OD1-N 3.35Å
171	A	95.9	Very high	96.8	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.008	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-25.1	174.2	0	0	0	0	0	112.3	F109 L122 I146 I167 D168	F109-A171 HydrophobicContact CE1-CB 3.73Å; F109-A171 HydrophobicContact CZ-CB 3.93Å; L122-A171 WeakPolarHBondContact CB-O 3.42Å; L122-A171 HydrophobicContact CG-CB 4.39Å; L122-A171 VanDerWaalsContact CG-O 3.29Å; L122-A171 WeakPolarHBondContact CG-O 3.49Å; L122-A171 PolarHBondContact N-O 3.31Å; I146-A171 HydrophobicContact CB-CB 4.32Å; I146-A171 HydrophobicContact CG2-CB 4.44Å; I167-A171 HydrophobicContact CG2-CB 3.84Å; D168-A171 HydrophobicContact CB-CB 4.36Å; D168-A171 WeakPolarHBondContact O-CA 3.31Å; D168-A171 WeakPolarHBondContact O-CB 3.28Å; D168-A171 PolarHBondContact O-N 2.84Å
172	G	97.1	Very high	97.1	Very high	20 Å²	20	44.5 Å²	44.5	21%	0.206	22%	0.222	C	C	.	.			trans	127.6	-159.8	176.4	0	0	0	0	0	113.5	I167 D168 P169	I167-G172 WeakPolarHBondContact CG2-O 3.36Å; D168-G172 PolarHBondContact O-N 2.82Å; P169-G172 PolarHBondContact O-N 2.82Å
173	T	98	Very high	97.4	Very high	66 Å²	66	43.3 Å²	43.3	41%	0.405	22%	0.217	S	C	.	.			trans	-96	167.9	-179.7	64.6	0	0	0	0	112.8	E175 D176 F177	T173-E175 PolarHBondContact O-N 2.84Å; T173-E175 PolarHBondContact OG1-N 2.79Å; T173-D176 WeakPolarHBondContact CB-OD2 3.44Å; T173-D176 PolarHBondContact N-OD2 3.37Å; T173-D176 WeakPolarHBondContact O-CB 3.48Å; T173-D176 PolarHBondContact O-N 2.94Å; T173-D176 PolarHBondContact OG1-N 3.48Å; T173-D176 VanDerWaalsContact OG1-N 3.17Å; T173-D176 PolarHBondContact OG1-OD2 2.92Å; T173-F177 PolarHBondContact O-N 2.56Å
174	M	97.8	Very high	97.6	Very high	34 Å²	34	41.5 Å²	41.5	17%	0.167	21%	0.207	C	C	.	.	H	α-helix	trans	-58.8	-32.3	169.4	-77.7	-58.9	-64.1	0	0	112.4	I167 F177 K178 F266 W267 E270	I167-M174 HydrophobicContact CD1-CG 4.49Å; I167-M174 HydrophobicContact CD1-SD 3.52Å; I167-M174 VanDerWaalsContact CD1-SD 3.52Å; I167-M174 HydrophobicContact CG1-SD 3.6Å; I167-M174 VanDerWaalsContact CG1-SD 3.6Å; M174-F177 PolarHBondContact O-N 3.13Å; M174-K178 WeakPolarHBondContact O-CB 3.4Å; M174-K178 WeakPolarHBondContact O-CG 3.45Å; M174-K178 PolarHBondContact O-N 3.47Å; M174-F266 HydrophobicContact CE-CE1 4.48Å; M174-F266 HydrophobicContact CE-CZ 4.24Å; M174-W267 HydrophobicContact CE-CH2 4.24Å; M174-W267 HydrophobicContact CE-CZ3 4.29Å; M174-W267 HydrophobicContact SD-CH2 3.91Å; M174-W267 HydrophobicContact SD-CZ3 4.42Å; M174-E270 HydrophobicContact CE-CG 4.35Å
175	E	98.5	Very high	97.6	Very high	127 Å²	127	44.9 Å²	44.9	59%	0.593	22%	0.223	S	C	*	.	H	α-helix	trans	-64.8	-39.7	173	-71.1	69	-154.1	0	0	112	T173 K178 Y179	T173-E175 PolarHBondContact O-N 2.84Å; T173-E175 PolarHBondContact OG1-N 2.79Å; E175-K178 PolarHBondContact O-N 3.06Å; E175-Y179 VanDerWaalsContact O-CB 3.3Å; E175-Y179 WeakPolarHBondContact O-CB 3.17Å; E175-Y179 PolarHBondContact O-N 3.45Å
176	D	98.7	Very high	97.7	Very high	26 Å²	26	50.4 Å²	50.4	14%	0.139	25%	0.248	C	C	.	.	H	α-helix	trans	-65.8	-40	176.5	-61.1	-47	0	0	0	111.3	R123 T173 Y179 F180	R123-D176 IonicContact CZ-OD1 3.97Å; R123-D176 IonicContact NE-OD1 3.75Å; R123-D176 PolarHBondContact NE-OD1 3.41Å; R123-D176 IonicContact NH2-OD1 2.57Å; R123-D176 PolarHBondContact NH2-OD1 2.91Å; T173-D176 WeakPolarHBondContact CB-OD2 3.44Å; T173-D176 PolarHBondContact N-OD2 3.37Å; T173-D176 WeakPolarHBondContact O-CB 3.48Å; T173-D176 PolarHBondContact O-N 2.94Å; T173-D176 PolarHBondContact OG1-N 3.48Å; T173-D176 VanDerWaalsContact OG1-N 3.17Å; T173-D176 PolarHBondContact OG1-OD2 2.92Å; D176-Y179 CarbonylContact O-C 3.57Å; D176-Y179 WeakPolarHBondContact O-CB 3.37Å; D176-Y179 PolarHBondContact O-N 3.33Å; D176-F180 WeakPolarHBondContact O-CB 3.38Å; D176-F180 PolarHBondContact O-N 3.05Å
177	F	98.8	Very high	97.7	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-64.3	-47.5	173.3	176.4	-94.4	0	0	0	113.3	L122 I146 I167 T173 M174 Y179 F180 V181 W267 E270 I272	L122-F177 HydrophobicContact CD1-CB 3.93Å; L122-F177 HydrophobicContact CD1-CD2 4.32Å; I146-F177 HydrophobicContact CD1-CD2 3.6Å; I146-F177 HydrophobicContact CD1-CE2 3.85Å; I167-F177 HydrophobicContact CD1-CB 3.15Å; I167-F177 HydrophobicContact CD1-CD2 4.05Å; I167-F177 HydrophobicContact CD1-CG 3.68Å; T173-F177 PolarHBondContact O-N 2.56Å; M174-F177 PolarHBondContact O-N 3.13Å; F177-Y179 PolarHBondContact O-N 3.5Å; F177-F180 WeakPolarHBondContact O-CA 3.4Å; F177-F180 WeakPolarHBondContact O-CB 3.3Å; F177-F180 PolarHBondContact O-N 3.19Å; F177-V181 HydrophobicContact CD1-CG2 4.2Å; F177-V181 HydrophobicContact CE1-CG2 3.73Å; F177-V181 HydrophobicContact CE2-CG2 4.12Å; F177-V181 HydrophobicContact CZ-CG2 3.7Å; F177-V181 WeakPolarHBondContact O-CG2 3.27Å; F177-V181 PolarHBondContact O-N 3.11Å; F177-W267 AromaticContact CD1-CZ3 3.85Å; F177-W267 HydrophobicContact CD1-CZ3 3.85Å; F177-W267 HydrophobicContact CD2-CZ3 4.22Å; F177-W267 AromaticContact CE1-CE3 3.78Å; F177-W267 HydrophobicContact CE1-CE3 3.78Å; F177-W267 AromaticContact CE1-CZ3 3.5Å; F177-W267 HydrophobicContact CE1-CZ3 3.5Å; F177-W267 VanDerWaalsContact CE1-CZ3 3.5Å; F177-W267 HydrophobicContact CE2-CE3 4.33Å; F177-W267 AromaticContact CE2-CZ3 3.88Å; F177-W267 HydrophobicContact CE2-CZ3 3.88Å; F177-W267 HydrophobicContact CG-CZ3 4.2Å; F177-W267 AromaticContact CZ-CE3 3.63Å; F177-W267 HydrophobicContact CZ-CE3 3.63Å; F177-W267 AromaticContact CZ-CZ3 3.49Å; F177-W267 HydrophobicContact CZ-CZ3 3.49Å; F177-W267 VanDerWaalsContact CZ-CZ3 3.49Å; F177-E270 HydrophobicContact CE1-CB 4.12Å; F177-I272 HydrophobicContact CE1-CG2 4.43Å; F177-I272 HydrophobicContact CE2-CG2 4.42Å; F177-I272 HydrophobicContact CZ-CG2 3.57Å
178	K	98.7	Very high	97.7	Very high	75 Å²	75	51.1 Å²	51.1	33%	0.326	26%	0.259	S	S	.	.	H	α-helix	trans	-58.5	-37.5	174.4	-75.3	173.9	174.1	171.8	0	111.1	M174 E175 R182 E270	M174-K178 WeakPolarHBondContact O-CB 3.4Å; M174-K178 WeakPolarHBondContact O-CG 3.45Å; M174-K178 PolarHBondContact O-N 3.47Å; E175-K178 PolarHBondContact O-N 3.06Å; K178-R182 WeakPolarHBondContact O-CB 3.34Å; K178-R182 WeakPolarHBondContact O-CG 3.33Å; K178-R182 PolarHBondContact O-N 3.42Å; K178-R182 PolarHBondContact O-NH1 3.45Å; K178-E270 WeakPolarHBondContact CE-OE2 3.42Å; K178-E270 IonicContact NZ-OE1 3.1Å; K178-E270 IonicContact NZ-OE2 3.12Å
179	Y	98.8	Very high	97.9	Very high	90 Å²	90	51.1 Å²	51.1	35%	0.353	26%	0.259	S	S	.	.	H	α-helix	trans	-67.2	-42	173.8	178.7	-104.4	0	0	0	112.3	V126 E175 D176 F177 S183	V126-Y179 HydrophobicContact CB-CE1 4.36Å; V126-Y179 HydrophobicContact CG1-CE1 3.77Å; V126-Y179 HydrophobicContact CG2-CD1 4.24Å; V126-Y179 HydrophobicContact CG2-CE1 4.23Å; E175-Y179 VanDerWaalsContact O-CB 3.3Å; E175-Y179 WeakPolarHBondContact O-CB 3.17Å; E175-Y179 PolarHBondContact O-N 3.45Å; D176-Y179 CarbonylContact O-C 3.57Å; D176-Y179 WeakPolarHBondContact O-CB 3.37Å; D176-Y179 PolarHBondContact O-N 3.33Å; F177-Y179 PolarHBondContact O-N 3.5Å; Y179-S183 VanDerWaalsContact O-CB 3.26Å; Y179-S183 WeakPolarHBondContact O-CB 3.35Å; Y179-S183 PolarHBondContact O-N 2.92Å; Y179-S183 PolarHBondContact O-OG 2.63Å
180	F	98.8	Very high	98.1	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-60	-50.4	175.4	165.1	-105.1	0	0	0	112	L122 L125 V126 L129 I141 L143 D176 F177 R182 S183 C184 V191	L122-F180 HydrophobicContact CD2-CD1 4.24Å; L122-F180 HydrophobicContact CD2-CG 4.25Å; L125-F180 HydrophobicContact CD2-CD2 4.21Å; L125-F180 HydrophobicContact CD2-CE2 3.42Å; L125-F180 VanDerWaalsContact CD2-CE2 3.42Å; L125-F180 HydrophobicContact CD2-CZ 3.76Å; L125-F180 HydrophobicContact CG-CD2 4.35Å; L125-F180 HydrophobicContact CG-CE2 3.74Å; V126-F180 HydrophobicContact CG2-CB 3.93Å; V126-F180 HydrophobicContact CG2-CD2 3.77Å; V126-F180 HydrophobicContact CG2-CG 4.35Å; L129-F180 HydrophobicContact CD2-CE2 4.41Å; I141-F180 HydrophobicContact CD1-CE2 4.45Å; I141-F180 HydrophobicContact CD1-CZ 4.41Å; L143-F180 HydrophobicContact CD2-CE1 4.07Å; D176-F180 WeakPolarHBondContact O-CB 3.38Å; D176-F180 PolarHBondContact O-N 3.05Å; F177-F180 WeakPolarHBondContact O-CA 3.4Å; F177-F180 WeakPolarHBondContact O-CB 3.3Å; F177-F180 PolarHBondContact O-N 3.19Å; F180-R182 PolarHBondContact O-N 2.96Å; F180-S183 PolarHBondContact O-N 3.45Å; F180-S183 VanDerWaalsContact O-N 3.15Å; F180-C184 WeakPolarHBondContact CE2-SG 3.18Å; F180-C184 VanDerWaalsContact CZ-SG 3.55Å; F180-C184 PolarHBondContact O-N 2.81Å; F180-C184 PolarHBondContact O-SG 2.93Å; F180-V191 HydrophobicContact CE1-CG1 3.79Å; F180-V191 HydrophobicContact CE1-CG2 4.06Å; F180-V191 HydrophobicContact CZ-CG1 4.49Å; F180-V191 HydrophobicContact CZ-CG2 4.39Å
181	V	98.9	Very high	98.4	Very high	6 Å²	6	49.2 Å²	49.2	4%	0.036	24%	0.24	C	C	.	.	H	α-helix	trans	-59.5	-49.1	178.5	174.3	0	0	0	0	110.9	F177 S183 C184 H185	F177-V181 HydrophobicContact CD1-CG2 4.2Å; F177-V181 HydrophobicContact CE1-CG2 3.73Å; F177-V181 HydrophobicContact CE2-CG2 4.12Å; F177-V181 HydrophobicContact CZ-CG2 3.7Å; F177-V181 WeakPolarHBondContact O-CG2 3.27Å; F177-V181 PolarHBondContact O-N 3.11Å; V181-S183 VanDerWaalsContact C-N 3.28Å; V181-S183 PolarHBondContact O-N 3.04Å; V181-C184 PolarHBondContact O-N 3.46Å; V181-H185 VanDerWaalsContact CG1-CE1 3.49Å; V181-H185 WeakPolarHBondContact CG1-CE1 3.44Å; V181-H185 PolarHBondContact O-N 3.09Å
182	R	98.8	Very high	98.5	Very high	149 Å²	149	49.2 Å²	49.2	56%	0.562	24%	0.24	S	C	*	.	H	α-helix	trans	-59.7	-39.7	176.2	-74.2	-169.5	-57.2	-91.4	-0.6	112.3	K178 F180 K186	K178-R182 WeakPolarHBondContact O-CB 3.34Å; K178-R182 WeakPolarHBondContact O-CG 3.33Å; K178-R182 PolarHBondContact O-N 3.42Å; K178-R182 PolarHBondContact O-NH1 3.45Å; F180-R182 PolarHBondContact O-N 2.96Å; R182-K186 WeakPolarHBondContact O-CB 3.39Å; R182-K186 PolarHBondContact O-N 3.41Å
183	S	98.8	Very high	98.6	Very high	12 Å²	12	48.3 Å²	48.3	8%	0.084	23%	0.23	C	C	.	.	H	α-helix	trans	-66.4	-43.5	178.6	-61.7	0	0	0	0	111	Y179 F180 V181 K186 H187	Y179-S183 VanDerWaalsContact O-CB 3.26Å; Y179-S183 WeakPolarHBondContact O-CB 3.35Å; Y179-S183 PolarHBondContact O-N 2.92Å; Y179-S183 PolarHBondContact O-OG 2.63Å; F180-S183 PolarHBondContact O-N 3.45Å; F180-S183 VanDerWaalsContact O-N 3.15Å; V181-S183 VanDerWaalsContact C-N 3.28Å; V181-S183 PolarHBondContact O-N 3.04Å; S183-K186 PolarHBondContact O-N 3.22Å; S183-H187 PolarHBondContact O-N 3.49Å; S183-H187 PolarHBondContact O-ND1 3.34Å
184	C	98.9	Very high	98.6	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-58.1	-51.9	173.5	-69.5	0	0	0	0	111.3	F180 V181 K186 H187 G188 I189 V191	F180-C184 WeakPolarHBondContact CE2-SG 3.18Å; F180-C184 VanDerWaalsContact CZ-SG 3.55Å; F180-C184 PolarHBondContact O-N 2.81Å; F180-C184 PolarHBondContact O-SG 2.93Å; V181-C184 PolarHBondContact O-N 3.46Å; C184-K186 VanDerWaalsContact C-N 3.29Å; C184-K186 PolarHBondContact O-N 3.29Å; C184-H187 CarbonylContact O-C 3.57Å; C184-H187 WeakPolarHBondContact O-CA 3.47Å; C184-H187 PolarHBondContact O-N 2.86Å; C184-G188 PolarHBondContact O-N 3.16Å; C184-G188 VanDerWaalsContact O-N 3.15Å; C184-I189 CarbonylContact C-O 3.57Å; C184-I189 HydrophobicContact CB-CB 4.09Å; C184-I189 HydrophobicContact CB-CG2 4.24Å; C184-I189 WeakPolarHBondContact CB-O 3.48Å; C184-I189 WeakPolarHBondContact O-CB 3.47Å; C184-I189 PolarHBondContact O-N 3.07Å; C184-V191 HydrophobicContact CB-CG2 3.58Å
185	H	98.7	Very high	98.6	Very high	71 Å²	71	43.8 Å²	43.8	33%	0.329	20%	0.204	S	C	.	.	H	α-helix	trans	-60.3	-38.1	179.6	-68	166.9	0	0	0	112.6	V181 H187 G188 I189 G271 D273	V181-H185 VanDerWaalsContact CG1-CE1 3.49Å; V181-H185 WeakPolarHBondContact CG1-CE1 3.44Å; V181-H185 PolarHBondContact O-N 3.09Å; H185-H187 PolarHBondContact O-N 3.37Å; H185-G188 PolarHBondContact O-N 2.91Å; H185-I189 PolarHBondContact CD2-O 3.09Å; H185-I189 PolarHBondContact N-O 2.67Å; H185-G271 PolarHBondContact CE1-O 3.09Å; H185-G271 VanDerWaalsContact CE1-O 3.27Å; H185-D273 IonicContact CD2-OD2 2.71Å; H185-D273 IonicContact CE1-OD2 3.6Å; H185-D273 IonicContact NE2-OD1 2.84Å; H185-D273 IonicContact NE2-OD2 3.15Å; H185-D273 PolarHBondContact NE2-OD2 3.36Å
186	K	98.6	Very high	98.5	Very high	185 Å²	185	39.4 Å²	39.4	80%	0.804	19%	0.185	S	C	*	.	H	α-helix	trans	-61.5	-32.3	174.8	-174.4	-178.2	176.1	-172.2	0	112.6	R182 S183 C184 G188	R182-K186 WeakPolarHBondContact O-CB 3.39Å; R182-K186 PolarHBondContact O-N 3.41Å; S183-K186 PolarHBondContact O-N 3.22Å; C184-K186 VanDerWaalsContact C-N 3.29Å; C184-K186 PolarHBondContact O-N 3.29Å; K186-G188 VanDerWaalsContact C-N 3.29Å
187	H	97.9	Very high	98.4	Very high	68 Å²	68	38.2 Å²	38.2	32%	0.315	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	4.1	174.3	-65.2	84.3	0	0	0	112.9	K133 S183 C184 H185 I189	K133-H187 WeakPolarHBondContact CD-O 3.37Å; K133-H187 WeakPolarHBondContact CE-O 3.33Å; S183-H187 PolarHBondContact O-N 3.49Å; S183-H187 PolarHBondContact O-ND1 3.34Å; C184-H187 CarbonylContact O-C 3.57Å; C184-H187 WeakPolarHBondContact O-CA 3.47Å; C184-H187 PolarHBondContact O-N 2.86Å; H185-H187 PolarHBondContact O-N 3.37Å; H187-I189 VanDerWaalsContact C-N 3.35Å; H187-I189 HydrophobicContact CB-CD1 4.06Å; H187-I189 HydrophobicContact CB-CG1 4.3Å
188	G	97.6	Very high	98.2	Very high	39 Å²	39	38.3 Å²	38.3	40%	0.402	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	64	40.4	-175.5	0	0	0	0	0	112.4	K133 C184 H185 K186	K133-G188 PolarHBondContact NZ-O 3.24Å; C184-G188 PolarHBondContact O-N 3.16Å; C184-G188 VanDerWaalsContact O-N 3.15Å; H185-G188 PolarHBondContact O-N 2.91Å; K186-G188 VanDerWaalsContact C-N 3.29Å
189	I	98.8	Very high	98	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	17%	0.166	C	C	.	.			trans	-113.4	126.4	174.6	-64	168.9	0	0	0	107.9	L129 I132 K133 G139 I141 C184 H185 H187	L129-I189 HydrophobicContact CD2-CD1 4.21Å; I132-I189 HydrophobicContact CG2-CD1 4.35Å; K133-I189 HydrophobicContact CB-CD1 3.83Å; K133-I189 HydrophobicContact CB-CG1 4.45Å; K133-I189 HydrophobicContact CD-CD1 4.38Å; K133-I189 HydrophobicContact CD-CG1 4.07Å; G139-I189 WeakPolarHBondContact O-CA 3.39Å; I141-I189 HydrophobicContact CB-CG2 4.38Å; I141-I189 HydrophobicContact CD1-CG2 3.84Å; I141-I189 HydrophobicContact CG1-CG2 3.75Å; C184-I189 CarbonylContact C-O 3.57Å; C184-I189 HydrophobicContact CB-CB 4.09Å; C184-I189 HydrophobicContact CB-CG2 4.24Å; C184-I189 WeakPolarHBondContact CB-O 3.48Å; C184-I189 WeakPolarHBondContact O-CB 3.47Å; C184-I189 PolarHBondContact O-N 3.07Å; H185-I189 PolarHBondContact CD2-O 3.09Å; H185-I189 PolarHBondContact N-O 2.67Å; H187-I189 VanDerWaalsContact C-N 3.35Å; H187-I189 HydrophobicContact CB-CD1 4.06Å; H187-I189 HydrophobicContact CB-CG1 4.3Å
190	H	98.9	Very high	97.8	Very high	64 Å²	64	30.9 Å²	30.9	30%	0.296	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	153.3	173.1	-57.2	79.7	0	0	0	110.8	F97 G139 F140 I141 D273	F97-H190 VanDerWaalsContact CB-CE1 3.45Å; F97-H190 WeakPolarHBondContact CB-CE1 3.16Å; F97-H190 HydrophobicContact CD1-CB 4.41Å; F97-H190 AromaticContact CD1-CD2 3.74Å; F97-H190 AromaticContact CD1-CG 3.96Å; F97-H190 HydrophobicContact CD2-CB 3.79Å; F97-H190 AromaticContact CD2-CG 3.8Å; F97-H190 AromaticContact CD2-ND1 3.98Å; F97-H190 HydrophobicContact CE1-CB 4.43Å; F97-H190 HydrophobicContact CE2-CB 3.84Å; F97-H190 HydrophobicContact CG-CB 4.1Å; F97-H190 AromaticContact CG-CD2 3.82Å; F97-H190 AromaticContact CG-CG 3.63Å; F97-H190 AromaticContact CG-ND1 3.76Å; F97-H190 HydrophobicContact CZ-CB 4.17Å; G139-H190 PolarHBondContact O-N 2.78Å; G139-H190 VanDerWaalsContact O-N 3.09Å; G139-H190 PolarHBondContact O-ND1 3.34Å; F140-H190 CarbonylContact C-O 3.56Å; F140-H190 WeakPolarHBondContact CA-O 2.93Å; F140-H190 HydrophobicContact CB-CB 3.76Å; F140-H190 WeakPolarHBondContact CB-O 3.39Å; I141-H190 PolarHBondContact N-O 3.33Å; H190-D273 VanDerWaalsContact CA-OD2 3.22Å; H190-D273 WeakPolarHBondContact CA-OD2 3.17Å; H190-D273 HydrophobicContact CB-CB 3.8Å; H190-D273 WeakPolarHBondContact CB-OD2 3.37Å; H190-D273 IonicContact CD2-OD2 2.75Å; H190-D273 IonicContact CG-OD2 2.56Å
191	V	98.9	Very high	97.5	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	121.5	-178.3	-179.4	0	0	0	0	110.4	F180 C184 I272 D273 G274	F180-V191 HydrophobicContact CE1-CG1 3.79Å; F180-V191 HydrophobicContact CE1-CG2 4.06Å; F180-V191 HydrophobicContact CZ-CG1 4.49Å; F180-V191 HydrophobicContact CZ-CG2 4.39Å; C184-V191 HydrophobicContact CB-CG2 3.58Å; V191-I272 HydrophobicContact CG1-CG2 4.16Å; V191-D273 PolarHBondContact N-OD2 3.04Å; V191-D273 WeakPolarHBondContact O-CA 3.49Å; V191-D273 PolarHBondContact O-N 3.27Å; V191-G274 PolarHBondContact O-N 3.38Å
192	V	98.9	Very high	97.1	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.006	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	130.2	171.3	179.3	0	0	0	0	107.8	F97 F140 I141 V142 L143 G274 L276 L339	F97-V192 HydrophobicContact CE2-CG2 4.08Å; F97-V192 HydrophobicContact CZ-CG2 4.07Å; F140-V192 HydrophobicContact CD2-CG2 4.09Å; I141-V192 PolarHBondContact O-N 2.91Å; V142-V192 CarbonylContact C-O 3.1Å; V142-V192 WeakPolarHBondContact CA-O 3.42Å; V142-V192 HydrophobicContact CG1-CG1 4.39Å; V142-V192 HydrophobicContact CG2-CB 4.13Å; V142-V192 HydrophobicContact CG2-CG1 4.35Å; L143-V192 PolarHBondContact N-O 3.37Å; V192-G274 VanDerWaalsContact CA-O 3.3Å; V192-G274 WeakPolarHBondContact CA-O 3.16Å; V192-L276 HydrophobicContact CG1-CB 4.13Å; V192-L339 HydrophobicContact CG1-CD2 4.43Å; V192-L339 HydrophobicContact CG2-CD2 3.76Å
193	L	98.8	Very high	96.6	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	130.2	-179	-179.5	58.3	0	0	0	111	L143 I146 F147 M195 W267 I272 G274 I275 L276	L143-L193 HydrophobicContact CB-CD1 4.33Å; L143-L193 HydrophobicContact CD2-CD1 4.24Å; I146-L193 HydrophobicContact CD1-CD1 4.32Å; I146-L193 HydrophobicContact CG1-CD1 3.92Å; F147-L193 HydrophobicContact CE1-CD2 3.82Å; F147-L193 HydrophobicContact CZ-CD2 3.69Å; F147-L193 HydrophobicContact CZ-CG 4.01Å; L193-M195 HydrophobicContact CD2-CE 4.03Å; L193-M195 HydrophobicContact CG-CE 4.35Å; L193-W267 HydrophobicContact CD2-CD2 3.94Å; L193-W267 HydrophobicContact CD2-CE3 3.87Å; L193-W267 HydrophobicContact CD2-CG 4.28Å; L193-W267 HydrophobicContact CD2-CZ3 4.36Å; L193-I272 HydrophobicContact CB-CD1 3.86Å; L193-I272 HydrophobicContact CB-CG2 4.36Å; L193-G274 PolarHBondContact N-O 3.38Å; L193-I275 WeakPolarHBondContact O-CA 3.42Å; L193-L276 PolarHBondContact O-N 3.45Å
194	T	98.7	Very high	96.4	Very high	5 Å²	5	30.4 Å²	30.4	3%	0.031	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	134.6	175.7	-60.7	0	0	0	0	111.3	L143 F147 L276 D278	L143-T194 WeakPolarHBondContact O-CB 3.14Å; L143-T194 PolarHBondContact O-N 3.23Å; L143-T194 PolarHBondContact O-OG1 2.88Å; L143-T194 VanDerWaalsContact O-OG1 3.1Å; F147-T194 WeakPolarHBondContact CE2-O 3.5Å; T194-L276 CarbonylContact C-O 3.5Å; T194-L276 WeakPolarHBondContact CA-O 3.21Å; T194-L276 HydrophobicContact CG2-CG 4.41Å; T194-D278 HydrophobicContact CG2-CB 3.78Å
195	M	98	Very high	96.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	131.1	175.8	-66.7	170.3	-170.8	0	0	109.9	F147 L193 F197 V263 W267 I272 I275 L276 L277 D278	F147-M195 HydrophobicContact CE2-CB 4.28Å; F147-M195 HydrophobicContact CE2-CG 3.66Å; F147-M195 HydrophobicContact CZ-CE 3.99Å; F147-M195 HydrophobicContact CZ-CG 3.52Å; F147-M195 HydrophobicContact CZ-SD 4.47Å; L193-M195 HydrophobicContact CD2-CE 4.03Å; L193-M195 HydrophobicContact CG-CE 4.35Å; M195-F197 HydrophobicContact CB-CD2 4.35Å; M195-F197 HydrophobicContact CB-CE2 3.73Å; M195-F197 HydrophobicContact CB-CZ 3.87Å; M195-F197 HydrophobicContact CG-CE2 4.4Å; M195-F197 HydrophobicContact CG-CZ 4.18Å; M195-F197 HydrophobicContact SD-CE2 3.99Å; M195-F197 HydrophobicContact SD-CZ 3.69Å; M195-V263 HydrophobicContact SD-CG1 4.4Å; M195-W267 HydrophobicContact CE-CB 3.62Å; M195-W267 HydrophobicContact CE-CG 3.65Å; M195-I272 HydrophobicContact CE-CD1 4.28Å; M195-I275 HydrophobicContact CB-CG2 4.31Å; M195-I275 HydrophobicContact CE-CD1 4.25Å; M195-I275 HydrophobicContact CE-CG1 4.15Å; M195-I275 HydrophobicContact CG-CG2 4.24Å; M195-I275 HydrophobicContact SD-CD1 4.09Å; M195-I275 HydrophobicContact SD-CG1 4.24Å; M195-I275 HydrophobicContact SD-CG2 3.79Å; M195-L276 PolarHBondContact N-O 3.3Å; M195-L277 HydrophobicContact CB-CD2 4.38Å; M195-L277 CarbonylContact O-C 3.51Å; M195-L277 WeakPolarHBondContact O-CA 3.34Å; M195-D278 PolarHBondContact O-N 3.46Å
196	D	95.3	Very high	96	Very high	36 Å²	36	30.9 Å²	30.9	19%	0.193	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	118.2	169.3	-173.5	-0.9	0	0	0	108.8	F164 N198 D278 N279	F164-D196 WeakPolarHBondContact CE1-O 3.29Å; F164-D196 WeakPolarHBondContact CZ-O 3.4Å; D196-N198 WeakPolarHBondContact OD1-CB 3.36Å; D196-N198 PolarHBondContact OD1-N 2.94Å; D196-D278 HydrophobicContact CB-CB 4.32Å; D196-N279 PolarHBondContact OD2-ND2 3.27Å
197	F	96.9	Very high	95.7	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.13	C	C	.	.			trans	-108.5	13.5	177	-63.4	-60.7	0	0	0	112.6	F164 M195 I260 V263 L277 I323	F164-F197 HydrophobicContact CD1-CE1 4.16Å; F164-F197 HydrophobicContact CD2-CE1 4.4Å; F164-F197 HydrophobicContact CE1-CD1 4.14Å; F164-F197 HydrophobicContact CE1-CE1 4.05Å; F164-F197 HydrophobicContact CE2-CD1 4.13Å; F164-F197 HydrophobicContact CE2-CE1 4.29Å; F164-F197 HydrophobicContact CG-CE1 4.34Å; F164-F197 AromaticContact CZ-CD1 3.85Å; F164-F197 HydrophobicContact CZ-CD1 3.85Å; F164-F197 HydrophobicContact CZ-CE1 4.12Å; M195-F197 HydrophobicContact CB-CD2 4.35Å; M195-F197 HydrophobicContact CB-CE2 3.73Å; M195-F197 HydrophobicContact CB-CZ 3.87Å; M195-F197 HydrophobicContact CG-CE2 4.4Å; M195-F197 HydrophobicContact CG-CZ 4.18Å; M195-F197 HydrophobicContact SD-CE2 3.99Å; M195-F197 HydrophobicContact SD-CZ 3.69Å; F197-I260 HydrophobicContact CB-CD1 3.9Å; F197-I260 HydrophobicContact CB-CG1 4.3Å; F197-I260 HydrophobicContact CD1-CD1 4.38Å; F197-I260 HydrophobicContact CD1-CG1 3.85Å; F197-I260 HydrophobicContact CD1-CG2 4.18Å; F197-I260 HydrophobicContact CD2-CG2 3.65Å; F197-I260 HydrophobicContact CE1-CG1 4.31Å; F197-I260 HydrophobicContact CE1-CG2 4.23Å; F197-I260 HydrophobicContact CE2-CG2 3.71Å; F197-I260 HydrophobicContact CG-CD1 4.16Å; F197-I260 HydrophobicContact CG-CG1 4.03Å; F197-I260 HydrophobicContact CG-CG2 3.89Å; F197-I260 HydrophobicContact CZ-CG2 4Å; F197-V263 HydrophobicContact CE1-CB 4.27Å; F197-V263 HydrophobicContact CE1-CG1 3.94Å; F197-V263 HydrophobicContact CZ-CB 4.24Å; F197-V263 HydrophobicContact CZ-CG1 3.83Å; F197-L277 HydrophobicContact CD2-CD2 3.87Å; F197-L277 HydrophobicContact CE2-CD2 3.78Å; F197-I323 HydrophobicContact CD2-CD1 4.11Å; F197-I323 HydrophobicContact CE2-CD1 4.25Å
198	N	94.8	Very high	95.5	Very high	3 Å²	3	24.7 Å²	24.7	2%	0.016	14%	0.144	C	C	.	.	S	Bend	trans	-64.6	-50.7	174.1	-177.2	76.4	0	0	0	110.8	D196 V241 F242 D248 L249 F282 Y283	D196-N198 WeakPolarHBondContact OD1-CB 3.36Å; D196-N198 PolarHBondContact OD1-N 2.94Å; N198-V241 VanDerWaalsContact ND2-CG1 3.33Å; N198-V241 WeakPolarHBondContact ND2-CG1 3.31Å; N198-F242 HydrophobicContact CB-CE2 4.5Å; N198-F242 WeakPolarHBondContact ND2-CE2 3.34Å; N198-D248 PolarHBondContact ND2-OD1 3.11Å; N198-D248 WeakPolarHBondContact O-CA 3.01Å; N198-L249 PolarHBondContact O-N 3.29Å; N198-F282 WeakPolarHBondContact OD1-CB 3.45Å; N198-F282 PolarHBondContact OD1-O 3.17Å; N198-Y283 HydrophobicContact CB-CD1 3.96Å; N198-Y283 HydrophobicContact CB-CE1 4.11Å; N198-Y283 PolarHBondContact OD1-N 3.23Å
199	S	93.8	Very high	95.2	Very high	8 Å²	8	26.5 Å²	26.5	6%	0.056	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	161.6	-172.8	65.6	0	0	0	0	112.8	F246 V247 D248	S199-F246 WeakPolarHBondContact OG-CD1 3.48Å; S199-V247 CarbonylContact C-O 3.57Å; S199-V247 VanDerWaalsContact CA-O 3.23Å; S199-V247 WeakPolarHBondContact CA-O 3.27Å; S199-V247 VanDerWaalsContact CB-O 3.25Å; S199-V247 WeakPolarHBondContact CB-O 3.41Å; S199-D248 VanDerWaalsContact CB-OD1 3.23Å; S199-D248 WeakPolarHBondContact CB-OD1 3.39Å
200	V	94.7	Very high	94.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	168.3	178.1	-63.9	0	0	0	0	110.7	F164 H204 W206 F246 V247 L249	F164-V200 HydrophobicContact CE2-CG1 3.5Å; F164-V200 VanDerWaalsContact CE2-CG1 3.5Å; F164-V200 HydrophobicContact CZ-CG1 3.86Å; V200-H204 HydrophobicContact CB-CB 3.77Å; V200-H204 HydrophobicContact CG2-CB 3.76Å; V200-W206 HydrophobicContact CG1-CE3 4.41Å; V200-F246 CarbonylContact O-C 3.51Å; V200-F246 WeakPolarHBondContact O-CA 3.31Å; V200-V247 HydrophobicContact CG2-CG1 3.78Å; V200-V247 PolarHBondContact N-O 2.93Å; V200-V247 PolarHBondContact O-N 3.07Å; V200-L249 HydrophobicContact CG1-CD1 4.17Å; V200-L249 HydrophobicContact CG1-CD2 4.19Å; V200-L249 HydrophobicContact CG1-CG 4.33Å; V200-L249 HydrophobicContact CG2-CD2 3.88Å
201	S	92.7	Very high	94.5	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.007	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	145.5	167.8	179.6	0	0	0	0	112	V161 D162 K203 H204	V161-S201 WeakPolarHBondContact O-CB 3.35Å; V161-S201 PolarHBondContact O-N 2.75Å; D162-S201 WeakPolarHBondContact OD1-CB 3.49Å; D162-S201 PolarHBondContact OD1-OG 3.27Å; S201-K203 PolarHBondContact O-N 3.06Å; S201-K203 PolarHBondContact OG-N 3.31Å; S201-K203 VanDerWaalsContact OG-N 3.16Å; S201-H204 WeakPolarHBondContact O-CB 3.45Å; S201-H204 PolarHBondContact O-N 3.3Å
202	A	89.9	Confident	94.4	Very high	32 Å²	32	29.1 Å²	29.1	26%	0.264	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-11.4	169.1	0	0	0	0	0	113.6	T231 I233	A202-T231 HydrophobicContact CB-CG2 4.04Å; A202-I233 HydrophobicContact CB-CD1 4.31Å; A202-I233 HydrophobicContact CB-CG1 4.47Å
203	K	89.3	Confident	94.2	Very high	124 Å²	124	29.1 Å²	29.1	54%	0.539	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-4.5	173.3	-62.8	-172.3	178.1	-164.9	0	114	D154 S201 S205	D154-K203 IonicContact OD2-NZ 3.27Å; D154-K203 PolarHBondContact OD2-NZ 3.18Å; S201-K203 PolarHBondContact O-N 3.06Å; S201-K203 PolarHBondContact OG-N 3.31Å; S201-K203 VanDerWaalsContact OG-N 3.16Å; K203-S205 PolarHBondContact O-N 3.25Å
204	H	94.2	Very high	94	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	17%	0.172	C	C	.	.	S	Bend	trans	-62	138.2	-179	-166.6	-74.2	0	0	0	110	D162 F164 V200 S201 W206 T207	D162-H204 WeakPolarHBondContact O-CA 3.37Å; D162-H204 PolarHBondContact O-CD2 3.46Å; F164-H204 AromaticContact CD2-NE2 3.44Å; F164-H204 WeakPolarHBondContact CD2-NE2 3.16Å; F164-H204 AromaticContact CE2-NE2 3.84Å; V200-H204 HydrophobicContact CB-CB 3.77Å; V200-H204 HydrophobicContact CG2-CB 3.76Å; S201-H204 WeakPolarHBondContact O-CB 3.45Å; S201-H204 PolarHBondContact O-N 3.3Å; H204-W206 AromaticContact CE1-CD1 3.5Å; H204-W206 VanDerWaalsContact CE1-CD1 3.5Å; H204-W206 AromaticContact CE1-CD2 3.27Å; H204-W206 AromaticContact CE1-CE2 3.55Å; H204-W206 AromaticContact CE1-CE3 3.84Å; H204-W206 AromaticContact CE1-CG 3.27Å; H204-W206 AromaticContact CE1-NE1 3.63Å; H204-W206 VanDerWaalsContact ND1-CB 3.32Å; H204-W206 WeakPolarHBondContact ND1-CB 3.26Å; H204-W206 AromaticContact ND1-CD1 3.7Å; H204-W206 AromaticContact ND1-CD2 3.66Å; H204-W206 AromaticContact ND1-CG 3.24Å; H204-W206 PolarHBondContact ND1-N 3.5Å; H204-W206 VanDerWaalsContact ND1-N 3.13Å; H204-W206 PolarHBondContact O-N 2.82Å; H204-W206 VanDerWaalsContact O-N 3.08Å; H204-T207 HydrophobicContact CB-CG2 4.36Å; H204-T207 VanDerWaalsContact O-CB 3.31Å; H204-T207 WeakPolarHBondContact O-CB 3.48Å; H204-T207 WeakPolarHBondContact O-CG2 3.47Å; H204-T207 PolarHBondContact O-N 3.42Å; H204-T207 PolarHBondContact O-OG1 3.37Å
205	S	93.8	Very high	93.6	Very high	69 Å²	69	33.5 Å²	33.5	48%	0.483	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-56.1	-29.8	-178.1	59.1	0	0	0	0	113.5	K203 T207 D208	K203-S205 PolarHBondContact O-N 3.25Å; S205-T207 PolarHBondContact O-N 2.9Å; S205-D208 WeakPolarHBondContact O-CB 3.2Å; S205-D208 PolarHBondContact O-N 3.49Å; S205-D208 VanDerWaalsContact O-N 3.16Å
206	W	95.1	Very high	93.2	Very high	12 Å²	12	35.9 Å²	35.9	5%	0.045	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-62	-18.7	174.7	-62.7	-4.4	0	0	0	114	F164 V200 H204 D208 L209 M212 L249 H259 I260 V263	F164-W206 HydrophobicContact CD2-CE3 4.46Å; F164-W206 AromaticContact CD2-CH2 3.6Å; F164-W206 HydrophobicContact CD2-CH2 3.6Å; F164-W206 HydrophobicContact CD2-CZ2 4.07Å; F164-W206 AromaticContact CD2-CZ3 3.82Å; F164-W206 HydrophobicContact CD2-CZ3 3.82Å; F164-W206 HydrophobicContact CE2-CE3 4.24Å; F164-W206 AromaticContact CE2-CH2 3.88Å; F164-W206 HydrophobicContact CE2-CH2 3.88Å; F164-W206 AromaticContact CE2-CZ3 3.62Å; F164-W206 HydrophobicContact CE2-CZ3 3.62Å; V200-W206 HydrophobicContact CG1-CE3 4.41Å; H204-W206 AromaticContact CE1-CD1 3.5Å; H204-W206 VanDerWaalsContact CE1-CD1 3.5Å; H204-W206 AromaticContact CE1-CD2 3.27Å; H204-W206 AromaticContact CE1-CE2 3.55Å; H204-W206 AromaticContact CE1-CE3 3.84Å; H204-W206 AromaticContact CE1-CG 3.27Å; H204-W206 AromaticContact CE1-NE1 3.63Å; H204-W206 VanDerWaalsContact ND1-CB 3.32Å; H204-W206 WeakPolarHBondContact ND1-CB 3.26Å; H204-W206 AromaticContact ND1-CD1 3.7Å; H204-W206 AromaticContact ND1-CD2 3.66Å; H204-W206 AromaticContact ND1-CG 3.24Å; H204-W206 PolarHBondContact ND1-N 3.5Å; H204-W206 VanDerWaalsContact ND1-N 3.13Å; H204-W206 PolarHBondContact O-N 2.82Å; H204-W206 VanDerWaalsContact O-N 3.08Å; W206-D208 PolarHBondContact O-N 3.13Å; W206-L209 CarbonylContact O-C 3.6Å; W206-L209 WeakPolarHBondContact O-CB 3.37Å; W206-L209 PolarHBondContact O-N 2.97Å; W206-M212 HydrophobicContact CB-CE 3.71Å; W206-M212 HydrophobicContact CB-SD 4.08Å; W206-M212 HydrophobicContact CD2-CE 3.32Å; W206-M212 HydrophobicContact CE3-CE 3.42Å; W206-M212 VanDerWaalsContact CE3-CE 3.42Å; W206-M212 HydrophobicContact CG-CE 3.47Å; W206-M212 VanDerWaalsContact CG-CE 3.47Å; W206-M212 HydrophobicContact CG-SD 4.17Å; W206-M212 HydrophobicContact CZ3-CE 4.15Å; W206-L249 HydrophobicContact CE3-CD1 3.91Å; W206-L249 HydrophobicContact CE3-CD2 4.08Å; W206-L249 HydrophobicContact CZ3-CD1 3.69Å; W206-H259 HydrophobicContact CH2-CB 4.17Å; W206-H259 HydrophobicContact CZ2-CB 3.78Å; W206-I260 HydrophobicContact CH2-CG1 4.19Å; W206-I260 HydrophobicContact CZ3-CG1 4.21Å; W206-V263 HydrophobicContact CH2-CG2 3.93Å; W206-V263 HydrophobicContact CZ2-CG2 3.79Å
207	T	93.1	Very high	92.6	Very high	10 Å²	10	35.8 Å²	35.8	6%	0.061	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-69.1	-18.1	175.9	64.7	0	0	0	0	113.5	H204 S205 L209 L213 I233 V247	H204-T207 HydrophobicContact CB-CG2 4.36Å; H204-T207 VanDerWaalsContact O-CB 3.31Å; H204-T207 WeakPolarHBondContact O-CB 3.48Å; H204-T207 WeakPolarHBondContact O-CG2 3.47Å; H204-T207 PolarHBondContact O-N 3.42Å; H204-T207 PolarHBondContact O-OG1 3.37Å; S205-T207 PolarHBondContact O-N 2.9Å; T207-L209 PolarHBondContact O-N 3.02Å; T207-L213 HydrophobicContact CG2-CD1 4.45Å; T207-L213 HydrophobicContact CG2-CD2 4.13Å; T207-I233 HydrophobicContact CG2-CD1 3.8Å; T207-V247 HydrophobicContact CG2-CG1 3.95Å
208	D	93	Very high	91.4	Very high	113 Å²	113	42.4 Å²	42.4	60%	0.604	25%	0.25	S	C	*	.	G	3₁₀ helix	trans	-68.9	-23	169.8	-68.6	-32.3	0	0	0	112	S205 W206 T210	S205-D208 WeakPolarHBondContact O-CB 3.2Å; S205-D208 PolarHBondContact O-N 3.49Å; S205-D208 VanDerWaalsContact O-N 3.16Å; W206-D208 PolarHBondContact O-N 3.13Å; D208-T210 PolarHBondContact O-N 2.78Å
209	L	92.4	Very high	90.1	Very high	77 Å²	77	43.9 Å²	43.9	40%	0.403	27%	0.266	S	S	.	.	S	Bend	trans	-97.4	81	175.7	-60.4	177.7	0	0	0	109.2	W206 T207 S211 M212	W206-L209 CarbonylContact O-C 3.6Å; W206-L209 WeakPolarHBondContact O-CB 3.37Å; W206-L209 PolarHBondContact O-N 2.97Å; T207-L209 PolarHBondContact O-N 3.02Å; L209-S211 PolarHBondContact O-N 2.68Å; L209-M212 HydrophobicContact CB-CG 3.99Å; L209-M212 HydrophobicContact CB-SD 3.82Å; L209-M212 HydrophobicContact CD1-SD 3.61Å; L209-M212 HydrophobicContact CG-SD 4.34Å; L209-M212 VanDerWaalsContact O-CB 3.31Å; L209-M212 WeakPolarHBondContact O-CB 3.42Å; L209-M212 PolarHBondContact O-N 3.28Å
210	T	90.6	Very high	89.2	Confident	65 Å²	65	44.4 Å²	44.4	40%	0.399	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-55.3	-25.5	-173.3	55.5	0	0	0	0	115.1	D208 M212 L213 Y238	D208-T210 PolarHBondContact O-N 2.78Å; T210-M212 PolarHBondContact O-N 3.21Å; T210-L213 PolarHBondContact O-N 2.79Å; T210-Y238 WeakPolarHBondContact CB-OH 3.24Å; T210-Y238 WeakPolarHBondContact CG2-OH 3.43Å
211	S	92.2	Very high	88.5	Confident	55 Å²	55	45 Å²	45	39%	0.385	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-64.6	-23.1	173.5	57.2	0	0	0	0	113.8	L209 L213 N250	L209-S211 PolarHBondContact O-N 2.68Å; S211-L213 VanDerWaalsContact C-N 3.27Å; S211-N250 PolarHBondContact O-ND2 3.09Å
212	M	95.7	Very high	87.7	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-79.8	-7.1	177.7	-65.3	-178	59.9	0	0	113.5	W206 L209 T210 L249 N250 V255 T256 H259	W206-M212 HydrophobicContact CB-CE 3.71Å; W206-M212 HydrophobicContact CB-SD 4.08Å; W206-M212 HydrophobicContact CD2-CE 3.32Å; W206-M212 HydrophobicContact CE3-CE 3.42Å; W206-M212 VanDerWaalsContact CE3-CE 3.42Å; W206-M212 HydrophobicContact CG-CE 3.47Å; W206-M212 VanDerWaalsContact CG-CE 3.47Å; W206-M212 HydrophobicContact CG-SD 4.17Å; W206-M212 HydrophobicContact CZ3-CE 4.15Å; L209-M212 HydrophobicContact CB-CG 3.99Å; L209-M212 HydrophobicContact CB-SD 3.82Å; L209-M212 HydrophobicContact CD1-SD 3.61Å; L209-M212 HydrophobicContact CG-SD 4.34Å; L209-M212 VanDerWaalsContact O-CB 3.31Å; L209-M212 WeakPolarHBondContact O-CB 3.42Å; L209-M212 PolarHBondContact O-N 3.28Å; T210-M212 PolarHBondContact O-N 3.21Å; M212-L249 CarbonylContact O-C 3.58Å; M212-L249 VanDerWaalsContact O-CA 3.32Å; M212-L249 WeakPolarHBondContact O-CA 3.3Å; M212-N250 PolarHBondContact O-N 3.15Å; M212-V255 HydrophobicContact CG-CG1 4.33Å; M212-V255 HydrophobicContact SD-CG1 4.42Å; M212-T256 WeakPolarHBondContact CA-OG1 3.34Å; M212-T256 HydrophobicContact CB-CG2 4.48Å; M212-T256 HydrophobicContact CE-CG2 4.15Å; M212-H259 HydrophobicContact CE-CB 3.93Å; M212-H259 VanDerWaalsContact SD-CD2 3.55Å
213	L	95.4	Very high	87.1	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-104.4	135	-176.1	-53.5	-179.3	0	0	0	110	T207 T210 S211 P215 I233 Y238 V247 L249	T207-L213 HydrophobicContact CG2-CD1 4.45Å; T207-L213 HydrophobicContact CG2-CD2 4.13Å; T210-L213 PolarHBondContact O-N 2.79Å; S211-L213 VanDerWaalsContact C-N 3.27Å; L213-P215 VanDerWaalsContact O-CD 3.22Å; L213-P215 WeakPolarHBondContact O-CD 3.31Å; L213-I233 HydrophobicContact CD1-CD1 3.79Å; L213-I233 HydrophobicContact CD1-CG2 4.45Å; L213-Y238 HydrophobicContact CB-CD1 3.28Å; L213-Y238 HydrophobicContact CB-CE1 3.5Å; L213-Y238 VanDerWaalsContact CB-CE1 3.5Å; L213-Y238 HydrophobicContact CB-CG 3.85Å; L213-Y238 HydrophobicContact CD1-CD1 4.09Å; L213-Y238 HydrophobicContact CD1-CD2 3.94Å; L213-Y238 HydrophobicContact CD1-CE1 3.96Å; L213-Y238 HydrophobicContact CD1-CE2 3.8Å; L213-Y238 HydrophobicContact CD1-CG 4.06Å; L213-Y238 HydrophobicContact CG-CD1 4.35Å; L213-Y238 HydrophobicContact CG-CE1 4.33Å; L213-V247 HydrophobicContact CB-CG2 4.15Å; L213-V247 HydrophobicContact CD1-CG2 4.33Å; L213-V247 HydrophobicContact CD2-CG1 3.98Å; L213-V247 HydrophobicContact CD2-CG2 3.91Å; L213-V247 HydrophobicContact CG-CG2 4.35Å; L213-L249 HydrophobicContact CD2-CD2 4.42Å
214	E	93.5	Very high	86.5	Confident	24 Å²	24	39.1 Å²	39.1	11%	0.112	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-67.1	117.3	179.1	176.9	70.2	177.8	0	0	109.4	Y216 R221 Y238 Y239 D248	E214-Y216 PolarHBondContact O-N 2.94Å; E214-R221 IonicContact OE1-CZ 3.35Å; E214-R221 IonicContact OE1-NH1 2.73Å; E214-R221 PolarHBondContact OE1-NH1 3.42Å; E214-R221 IonicContact OE1-NH2 3.85Å; E214-R221 PolarHBondContact OE1-NH2 2.75Å; E214-Y238 CarbonylContact O-C 3.58Å; E214-Y238 WeakPolarHBondContact O-CA 3.36Å; E214-Y238 WeakPolarHBondContact O-CB 3.29Å; E214-Y239 HydrophobicContact CG-CD1 4.04Å; E214-Y239 HydrophobicContact CG-CG 4.37Å; E214-Y239 PolarHBondContact O-N 2.67Å; E214-D248 HydrophobicContact CB-CB 4.14Å; E214-D248 PolarHBondContact N-O 3.4Å
215	P	91.8	Very high	85.4	Confident	74 Å²	74	40.1 Å²	40.1	48%	0.481	25%	0.249	S	C	.	.	B	Isolated β-bridge	trans	-64.7	139	-179.1	-21.4	33.6	0	0	0	111.5	L213 P217	L213-P215 VanDerWaalsContact O-CD 3.22Å; L213-P215 WeakPolarHBondContact O-CD 3.31Å; P215-P217 WeakPolarHBondContact O-CD 2.97Å
216	Y	89.5	Confident	84.2	Confident	49 Å²	49	38.5 Å²	38.5	19%	0.192	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-70.9	121.9	171.6	-172.7	-105.7	0	0	0	110	E214 G220 R221 A229 K230 E237 Y239	E214-Y216 PolarHBondContact O-N 2.94Å; Y216-G220 VanDerWaalsContact OH-CA 3.3Å; Y216-G220 WeakPolarHBondContact OH-CA 3.21Å; Y216-R221 HydrophobicContact CE2-CB 4.05Å; Y216-R221 PolarHBondContact OH-N 2.99Å; Y216-R221 VanDerWaalsContact OH-N 3.15Å; Y216-R221 PolarHBondContact OH-O 3.48Å; Y216-A229 HydrophobicContact CE2-CB 4.19Å; Y216-K230 HydrophobicContact CD1-CD 3.62Å; Y216-K230 HydrophobicContact CD1-CG 3.86Å; Y216-K230 HydrophobicContact CD2-CD 4.27Å; Y216-K230 HydrophobicContact CD2-CG 3.56Å; Y216-K230 HydrophobicContact CE1-CD 3.42Å; Y216-K230 VanDerWaalsContact CE1-CD 3.42Å; Y216-K230 HydrophobicContact CE1-CG 3.76Å; Y216-K230 HydrophobicContact CE2-CD 4.09Å; Y216-K230 HydrophobicContact CE2-CG 3.44Å; Y216-K230 VanDerWaalsContact CE2-CG 3.44Å; Y216-K230 HydrophobicContact CG-CD 4.03Å; Y216-K230 HydrophobicContact CG-CG 3.75Å; Y216-E237 WeakPolarHBondContact CB-O 3.29Å; Y216-E237 PolarHBondContact N-O 3.45Å; Y216-E237 VanDerWaalsContact N-O 3.07Å; Y216-Y239 HydrophobicContact CD2-CD2 4.16Å; Y216-Y239 HydrophobicContact CE2-CD2 4.42Å
217	P	81.8	Confident	83.1	Confident	34 Å²	34	40.8 Å²	40.8	22%	0.221	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-75.6	143.9	-174.6	29.4	-34.1	0	0	0	111.8	P215 G219 G220 R221	P215-P217 WeakPolarHBondContact O-CD 2.97Å; P217-G219 PolarHBondContact O-N 2.79Å; P217-G220 PolarHBondContact O-N 3.2Å; P217-R221 HydrophobicContact CG-CB 4.37Å; P217-R221 HydrophobicContact CG-CG 3.52Å
218	S	71.5	Confident	82.5	Confident	139 Å²	139	44.3 Å²	44.3	97%	0.972	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-22.7	-180	65.1	0	0	0	0	114.5	G220	S218-G220 PolarHBondContact O-N 3.07Å
219	G	69	Low	82.1	Confident	35 Å²	35	39.1 Å²	39.1	36%	0.361	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-5.7	175.7	0	0	0	0	0	114.6	P217	P217-G219 PolarHBondContact O-N 2.79Å
220	G	74.8	Confident	82	Confident	19 Å²	19	38 Å²	38	20%	0.196	24%	0.239	C	C	.	.			trans	77.7	148.5	-172.1	0	0	0	0	0	113	Y216 P217 S218 P290	Y216-G220 VanDerWaalsContact OH-CA 3.3Å; Y216-G220 WeakPolarHBondContact OH-CA 3.21Å; P217-G220 PolarHBondContact O-N 3.2Å; S218-G220 PolarHBondContact O-N 3.07Å; G220-P290 WeakPolarHBondContact O-CD 3.37Å
221	R	78.8	Confident	82	Confident	13 Å²	13	35.1 Å²	35.1	5%	0.049	22%	0.222	C	C	.	.			trans	-130.5	164.1	164.2	-81.3	-177.8	-178.2	160.7	6	108.5	E214 Y216 P217 A229 Y239	E214-R221 IonicContact OE1-CZ 3.35Å; E214-R221 IonicContact OE1-NH1 2.73Å; E214-R221 PolarHBondContact OE1-NH1 3.42Å; E214-R221 IonicContact OE1-NH2 3.85Å; E214-R221 PolarHBondContact OE1-NH2 2.75Å; Y216-R221 HydrophobicContact CE2-CB 4.05Å; Y216-R221 PolarHBondContact OH-N 2.99Å; Y216-R221 VanDerWaalsContact OH-N 3.15Å; Y216-R221 PolarHBondContact OH-O 3.48Å; P217-R221 HydrophobicContact CG-CB 4.37Å; P217-R221 HydrophobicContact CG-CG 3.52Å; R221-A229 WeakPolarHBondContact O-CB 3.31Å; R221-Y239 HydrophobicContact CB-CD2 3.65Å; R221-Y239 HydrophobicContact CB-CE2 3.36Å; R221-Y239 HydrophobicContact CG-CD2 4.25Å; R221-Y239 HydrophobicContact CG-CE2 4.08Å; R221-Y239 VanDerWaalsContact NH1-CD1 3.28Å
222	I	75.9	Confident	82	Confident	11 Å²	11	36.9 Å²	36.9	6%	0.056	23%	0.229	C	C	.	.			trans	-114.3	147.8	177.6	63.6	154.2	0	0	0	110.1	Y239 I294 L298 Y306	I222-Y239 PolarHBondContact O-OH 3.16Å; I222-I294 HydrophobicContact CB-CG1 4.46Å; I222-I294 HydrophobicContact CG2-CD1 3.84Å; I222-I294 HydrophobicContact CG2-CG1 3.68Å; I222-L298 HydrophobicContact CD1-CD1 3.97Å; I222-L298 HydrophobicContact CD1-CD2 4.04Å; I222-L298 HydrophobicContact CD1-CG 4.38Å; I222-Y306 HydrophobicContact CD1-CD1 3.14Å; I222-Y306 HydrophobicContact CD1-CD2 3.82Å; I222-Y306 HydrophobicContact CD1-CE1 3.37Å; I222-Y306 HydrophobicContact CD1-CE2 4.02Å; I222-Y306 HydrophobicContact CD1-CG 3.35Å; I222-Y306 HydrophobicContact CG1-CD1 3.82Å; I222-Y306 HydrophobicContact CG1-CE1 4.33Å; I222-Y306 HydrophobicContact CG1-CG 4.14Å
223	S	78.8	Confident	81.8	Confident	2 Å²	2	37.4 Å²	37.4	1%	0.014	23%	0.232	C	C	.	.			trans	-80	144	170.9	161.6	0	0	0	0	108.7	L225 G226 D227 A229 V241 L298	S223-L225 PolarHBondContact O-N 3.14Å; S223-L225 PolarHBondContact OG-N 3.38Å; S223-G226 PolarHBondContact O-N 3.4Å; S223-D227 WeakPolarHBondContact CB-O 3.45Å; S223-D227 WeakPolarHBondContact CB-OD1 3.45Å; S223-D227 PolarHBondContact OG-OD1 2.81Å; S223-A229 VanDerWaalsContact N-CB 3.31Å; S223-V241 PolarHBondContact OG-O 2.79Å; S223-L298 WeakPolarHBondContact O-CD2 3.38Å
224	R	75.8	Confident	81.6	Confident	20 Å²	20	43.8 Å²	43.8	8%	0.075	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-31.7	172.6	-178.1	176.4	172.6	-86.4	-17.4	112	G226 V241 L298 W302 N346 E475	R224-G226 VanDerWaalsContact C-N 3.28Å; R224-G226 PolarHBondContact O-N 2.88Å; R224-V241 HydrophobicContact CB-CG2 4.08Å; R224-V241 WeakPolarHBondContact CB-O 3.47Å; R224-V241 PolarHBondContact N-O 2.93Å; R224-L298 WeakPolarHBondContact O-CD2 3.21Å; R224-W302 HydrophobicContact CB-CD2 4.49Å; R224-W302 HydrophobicContact CB-CH2 4.23Å; R224-W302 HydrophobicContact CB-CZ2 3.65Å; R224-W302 HydrophobicContact CG-CD2 4.23Å; R224-W302 HydrophobicContact CG-CE3 4.4Å; R224-W302 HydrophobicContact CG-CH2 4.31Å; R224-W302 HydrophobicContact CG-CZ2 4.08Å; R224-W302 HydrophobicContact CG-CZ3 4.46Å; R224-N346 PolarHBondContact NE-O 3.45Å; R224-N346 VanDerWaalsContact NE-O 3.16Å; R224-N346 PolarHBondContact NH1-O 3.14Å; R224-N346 PolarHBondContact NH2-ND2 3Å; R224-N346 PolarHBondContact NH2-O 3.38Å; R224-E475 IonicContact CZ-OE1 3.71Å; R224-E475 IonicContact CZ-OE2 2.61Å; R224-E475 IonicContact NH1-OE1 2.78Å; R224-E475 PolarHBondContact NH1-OE1 3.36Å; R224-E475 VanDerWaalsContact NH1-OE1 3.12Å; R224-E475 IonicContact NH1-OE2 3.57Å; R224-E475 PolarHBondContact NH1-OE2 3.24Å; R224-E475 VanDerWaalsContact NH1-OE2 3.1Å; R224-E475 IonicContact NH2-OE1 3.68Å; R224-E475 PolarHBondContact NH2-OE1 3.28Å; R224-E475 IonicContact NH2-OE2 2.83Å
225	L	71.6	Confident	81.4	Confident	21 Å²	21	46.1 Å²	46.1	11%	0.11	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-2.3	-175.3	-52	-178.9	0	0	0	112.6	S223 D227 F242	S223-L225 PolarHBondContact O-N 3.14Å; S223-L225 PolarHBondContact OG-N 3.38Å; L225-D227 VanDerWaalsContact C-N 3.28Å; L225-D227 PolarHBondContact O-N 2.96Å; L225-F242 HydrophobicContact CD1-CB 4.16Å; L225-F242 HydrophobicContact CD1-CD1 4.44Å; L225-F242 WeakPolarHBondContact CD1-O 3.46Å
226	G	68.4	Low	81.5	Confident	35 Å²	35	46 Å²	46	36%	0.361	29%	0.291	S	S	.	.	S	Bend	trans	73.2	15.9	177.4	0	0	0	0	0	114.4	S223 R224	S223-G226 PolarHBondContact O-N 3.4Å; R224-G226 VanDerWaalsContact C-N 3.28Å; R224-G226 PolarHBondContact O-N 2.88Å
227	D	71.7	Confident	81.7	Confident	61 Å²	61	47.7 Å²	47.7	33%	0.326	30%	0.3	S	S	.	.	S	Bend	trans	-94.4	-169.6	168.3	60.3	-11.9	0	0	0	111.5	S223 L225 A229 G243	S223-D227 WeakPolarHBondContact CB-O 3.45Å; S223-D227 WeakPolarHBondContact CB-OD1 3.45Å; S223-D227 PolarHBondContact OG-OD1 2.81Å; L225-D227 VanDerWaalsContact C-N 3.28Å; L225-D227 PolarHBondContact O-N 2.96Å; D227-A229 PolarHBondContact O-N 2.87Å; D227-G243 VanDerWaalsContact CG-CA 3.47Å; D227-G243 VanDerWaalsContact OD1-CA 3.25Å; D227-G243 WeakPolarHBondContact OD1-CA 3.13Å; D227-G243 WeakPolarHBondContact OD2-CA 3.45Å
228	D	80.7	Confident	82.3	Confident	84 Å²	84	46.6 Å²	46.6	45%	0.449	29%	0.292	S	S	.	.			trans	-68.8	126.6	178.6	-164.2	1.8	0	0	0	109.8	K230 G243 S244	D228-K230 PolarHBondContact O-N 3.25Å; D228-K230 PolarHBondContact OD1-N 3.47Å; D228-G243 CarbonylContact O-C 3.56Å; D228-G243 WeakPolarHBondContact O-CA 3.45Å; D228-S244 PolarHBondContact O-N 2.97Å
229	A	84.8	Confident	83.3	Confident	3 Å²	3	40 Å²	40	3%	0.025	25%	0.246	C	C	.	.			trans	-83.8	10.7	-179.6	0	0	0	0	0	112.5	Y216 R221 S223 D227 Y239 S240	Y216-A229 HydrophobicContact CE2-CB 4.19Å; R221-A229 WeakPolarHBondContact O-CB 3.31Å; S223-A229 VanDerWaalsContact N-CB 3.31Å; D227-A229 PolarHBondContact O-N 2.87Å; A229-Y239 HydrophobicContact CB-CD2 4.31Å; A229-Y239 HydrophobicContact CB-CE2 4.04Å; A229-Y239 WeakPolarHBondContact O-CA 3.39Å; A229-Y239 WeakPolarHBondContact O-CD2 3.46Å; A229-S240 WeakPolarHBondContact CA-O 3.35Å; A229-S240 PolarHBondContact O-N 3.11Å
230	K	89	Confident	84.3	Confident	53 Å²	53	38.4 Å²	38.4	23%	0.23	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	135.9	-174.2	-61.7	-169.6	-59.9	169.4	0	110.7	Y216 D228 E237 Y238 S244	Y216-K230 HydrophobicContact CD1-CD 3.62Å; Y216-K230 HydrophobicContact CD1-CG 3.86Å; Y216-K230 HydrophobicContact CD2-CD 4.27Å; Y216-K230 HydrophobicContact CD2-CG 3.56Å; Y216-K230 HydrophobicContact CE1-CD 3.42Å; Y216-K230 VanDerWaalsContact CE1-CD 3.42Å; Y216-K230 HydrophobicContact CE1-CG 3.76Å; Y216-K230 HydrophobicContact CE2-CD 4.09Å; Y216-K230 HydrophobicContact CE2-CG 3.44Å; Y216-K230 VanDerWaalsContact CE2-CG 3.44Å; Y216-K230 HydrophobicContact CG-CD 4.03Å; Y216-K230 HydrophobicContact CG-CG 3.75Å; D228-K230 PolarHBondContact O-N 3.25Å; D228-K230 PolarHBondContact OD1-N 3.47Å; K230-E237 IonicContact NZ-OE1 2.74Å; K230-E237 PolarHBondContact NZ-OE1 3.2Å; K230-E237 IonicContact NZ-OE2 3.79Å; K230-Y238 WeakPolarHBondContact CA-O 3.35Å; K230-S244 WeakPolarHBondContact O-CB 3.37Å
231	T	91.3	Very high	84.8	Confident	6 Å²	6	37.5 Å²	37.5	4%	0.037	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	122.5	169.8	-57	0	0	0	0	107.8	A202 I233 Y238 S244 F246 V247	A202-T231 HydrophobicContact CB-CG2 4.04Å; T231-I233 HydrophobicContact CG2-CD1 4.25Å; T231-I233 HydrophobicContact CG2-CG1 4.18Å; T231-Y238 PolarHBondContact N-O 3.33Å; T231-Y238 PolarHBondContact O-N 3.01Å; T231-S244 WeakPolarHBondContact CG2-O 3.3Å; T231-S244 VanDerWaalsContact OG1-CA 3.32Å; T231-S244 WeakPolarHBondContact OG1-CA 3.5Å; T231-S244 PolarHBondContact OG1-O 2.82Å; T231-S244 VanDerWaalsContact OG1-O 3.08Å; T231-F246 WeakPolarHBondContact CB-O 3.43Å; T231-F246 PolarHBondContact OG1-O 3.25Å; T231-V247 HydrophobicContact CG2-CB 4.31Å
232	V	92.2	Very high	85	Confident	91 Å²	91	37.7 Å²	37.7	55%	0.552	22%	0.221	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-93.9	114.7	-177.7	-176.2	0	0	0	0	109.4	T236 E237	V232-T236 CarbonylContact C-O 3.59Å; V232-T236 WeakPolarHBondContact CA-O 3.4Å; V232-E237 HydrophobicContact CG2-CG 4.28Å
233	I	91.6	Very high	85.2	Confident	12 Å²	12	37.2 Å²	37.2	6%	0.062	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	122.8	177.8	-62.3	170.8	0	0	0	107.7	A202 T207 L213 T231 G235 T236 Y238 V247	A202-I233 HydrophobicContact CB-CD1 4.31Å; A202-I233 HydrophobicContact CB-CG1 4.47Å; T207-I233 HydrophobicContact CG2-CD1 3.8Å; L213-I233 HydrophobicContact CD1-CD1 3.79Å; L213-I233 HydrophobicContact CD1-CG2 4.45Å; T231-I233 HydrophobicContact CG2-CD1 4.25Å; T231-I233 HydrophobicContact CG2-CG1 4.18Å; I233-G235 PolarHBondContact O-N 3.03Å; I233-G235 VanDerWaalsContact O-N 3.11Å; I233-T236 PolarHBondContact N-O 2.8Å; I233-T236 PolarHBondContact O-N 3.49Å; I233-Y238 HydrophobicContact CB-CD2 3.86Å; I233-Y238 HydrophobicContact CB-CE2 3.74Å; I233-Y238 HydrophobicContact CD1-CD2 4.3Å; I233-Y238 HydrophobicContact CG1-CD2 4.28Å; I233-Y238 HydrophobicContact CG2-CE2 4.48Å; I233-V247 HydrophobicContact CD1-CB 4.01Å; I233-V247 HydrophobicContact CD1-CG1 3.82Å; I233-V247 HydrophobicContact CD1-CG2 4.04Å
234	Q	90.4	Very high	85.2	Confident	134 Å²	134	39.8 Å²	39.8	63%	0.626	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.9	35.7	-179.1	-58.3	175.4	-3.1	0	0	113.5	T236	Q234-T236 VanDerWaalsContact C-N 3.29Å; Q234-T236 PolarHBondContact O-N 3.18Å
235	G	91.1	Very high	85.5	Confident	73 Å²	73	41.1 Å²	41.1	75%	0.753	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.4	1.7	180	0	0	0	0	0	115.5	I233	I233-G235 PolarHBondContact O-N 3.03Å; I233-G235 VanDerWaalsContact O-N 3.11Å
236	T	93.4	Very high	86.3	Confident	72 Å²	72	40.6 Å²	40.6	44%	0.442	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	140.5	174.7	-56.5	0	0	0	0	110.1	V232 I233 Q234 Y238	V232-T236 CarbonylContact C-O 3.59Å; V232-T236 WeakPolarHBondContact CA-O 3.4Å; I233-T236 PolarHBondContact N-O 2.8Å; I233-T236 PolarHBondContact O-N 3.49Å; Q234-T236 VanDerWaalsContact C-N 3.29Å; Q234-T236 PolarHBondContact O-N 3.18Å; T236-Y238 HydrophobicContact CG2-CE1 4.15Å; T236-Y238 HydrophobicContact CG2-CE2 3.87Å; T236-Y238 WeakPolarHBondContact O-CD2 3.11Å; T236-Y238 WeakPolarHBondContact O-CE2 3.33Å
237	E	93.4	Very high	87.5	Confident	84 Å²	84	39 Å²	39	39%	0.393	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	126.2	178.5	-57	-171.5	140.1	0	0	110.9	Y216 K230 V232	Y216-E237 WeakPolarHBondContact CB-O 3.29Å; Y216-E237 PolarHBondContact N-O 3.45Å; Y216-E237 VanDerWaalsContact N-O 3.07Å; K230-E237 IonicContact NZ-OE1 2.74Å; K230-E237 PolarHBondContact NZ-OE1 3.2Å; K230-E237 IonicContact NZ-OE2 3.79Å; V232-E237 HydrophobicContact CG2-CG 4.28Å
238	Y	94.2	Very high	88.6	Confident	10 Å²	10	36.4 Å²	36.4	4%	0.039	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	155.3	175.7	-60.7	-80.6	0	0	0	110.9	T210 L213 E214 K230 T231 I233 T236 V247	T210-Y238 WeakPolarHBondContact CB-OH 3.24Å; T210-Y238 WeakPolarHBondContact CG2-OH 3.43Å; L213-Y238 HydrophobicContact CB-CD1 3.28Å; L213-Y238 HydrophobicContact CB-CE1 3.5Å; L213-Y238 VanDerWaalsContact CB-CE1 3.5Å; L213-Y238 HydrophobicContact CB-CG 3.85Å; L213-Y238 HydrophobicContact CD1-CD1 4.09Å; L213-Y238 HydrophobicContact CD1-CD2 3.94Å; L213-Y238 HydrophobicContact CD1-CE1 3.96Å; L213-Y238 HydrophobicContact CD1-CE2 3.8Å; L213-Y238 HydrophobicContact CD1-CG 4.06Å; L213-Y238 HydrophobicContact CG-CD1 4.35Å; L213-Y238 HydrophobicContact CG-CE1 4.33Å; E214-Y238 CarbonylContact O-C 3.58Å; E214-Y238 WeakPolarHBondContact O-CA 3.36Å; E214-Y238 WeakPolarHBondContact O-CB 3.29Å; K230-Y238 WeakPolarHBondContact CA-O 3.35Å; T231-Y238 PolarHBondContact N-O 3.33Å; T231-Y238 PolarHBondContact O-N 3.01Å; I233-Y238 HydrophobicContact CB-CD2 3.86Å; I233-Y238 HydrophobicContact CB-CE2 3.74Å; I233-Y238 HydrophobicContact CD1-CD2 4.3Å; I233-Y238 HydrophobicContact CG1-CD2 4.28Å; I233-Y238 HydrophobicContact CG2-CE2 4.48Å; T236-Y238 HydrophobicContact CG2-CE1 4.15Å; T236-Y238 HydrophobicContact CG2-CE2 3.87Å; T236-Y238 WeakPolarHBondContact O-CD2 3.11Å; T236-Y238 WeakPolarHBondContact O-CE2 3.33Å; Y238-V247 HydrophobicContact CG-CG2 4.22Å
239	Y	92	Very high	89.4	Confident	2 Å²	2	32.6 Å²	32.6	1%	0.008	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	148.9	-179.6	-179	-119.5	0	0	0	111.8	E214 Y216 R221 I222 A229 V241 D248 E285	E214-Y239 HydrophobicContact CG-CD1 4.04Å; E214-Y239 HydrophobicContact CG-CG 4.37Å; E214-Y239 PolarHBondContact O-N 2.67Å; Y216-Y239 HydrophobicContact CD2-CD2 4.16Å; Y216-Y239 HydrophobicContact CE2-CD2 4.42Å; R221-Y239 HydrophobicContact CB-CD2 3.65Å; R221-Y239 HydrophobicContact CB-CE2 3.36Å; R221-Y239 HydrophobicContact CG-CD2 4.25Å; R221-Y239 HydrophobicContact CG-CE2 4.08Å; R221-Y239 VanDerWaalsContact NH1-CD1 3.28Å; I222-Y239 PolarHBondContact O-OH 3.16Å; A229-Y239 HydrophobicContact CB-CD2 4.31Å; A229-Y239 HydrophobicContact CB-CE2 4.04Å; A229-Y239 WeakPolarHBondContact O-CA 3.39Å; A229-Y239 WeakPolarHBondContact O-CD2 3.46Å; Y239-V241 HydrophobicContact CE1-CB 4.07Å; Y239-D248 HydrophobicContact CD1-CB 4.34Å; Y239-D248 VanDerWaalsContact CD1-OD2 3.24Å; Y239-D248 WeakPolarHBondContact CD1-OD2 3.42Å; Y239-D248 VanDerWaalsContact CE1-OD2 3.26Å; Y239-D248 WeakPolarHBondContact CE1-OD2 3.35Å; Y239-D248 PolarHBondContact O-N 3.22Å; Y239-E285 WeakPolarHBondContact CE1-OE1 3.4Å; Y239-E285 PolarHBondContact OH-OE1 2.92Å
240	S	89.9	Confident	89.9	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.194	C	C	.	.			trans	-146.3	120.1	167.5	175.7	0	0	0	0	110.5	A229 F242 G243 F246	A229-S240 WeakPolarHBondContact CA-O 3.35Å; A229-S240 PolarHBondContact O-N 3.11Å; S240-F242 VanDerWaalsContact C-N 3.33Å; S240-F242 PolarHBondContact OG-N 2.77Å; S240-G243 WeakPolarHBondContact CB-O 3.15Å; S240-G243 VanDerWaalsContact OG-C 3.28Å; S240-G243 PolarHBondContact OG-N 2.76Å; S240-G243 PolarHBondContact OG-O 2.95Å; S240-F246 VanDerWaalsContact CB-O 3.24Å; S240-F246 WeakPolarHBondContact CB-O 3.37Å; S240-F246 PolarHBondContact OG-O 3.25Å
241	V	85.8	Confident	90.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-29.9	174.3	69.6	0	0	0	0	112.5	N198 S223 R224 Y239 D248 F282 E285 W302	N198-V241 VanDerWaalsContact ND2-CG1 3.33Å; N198-V241 WeakPolarHBondContact ND2-CG1 3.31Å; S223-V241 PolarHBondContact OG-O 2.79Å; R224-V241 HydrophobicContact CB-CG2 4.08Å; R224-V241 WeakPolarHBondContact CB-O 3.47Å; R224-V241 PolarHBondContact N-O 2.93Å; Y239-V241 HydrophobicContact CE1-CB 4.07Å; V241-D248 WeakPolarHBondContact CB-OD2 3.48Å; V241-D248 PolarHBondContact N-OD1 3.44Å; V241-D248 PolarHBondContact N-OD2 2.58Å; V241-F282 HydrophobicContact CG1-CB 4.48Å; V241-F282 HydrophobicContact CG2-CD1 4.06Å; V241-E285 WeakPolarHBondContact CB-OE1 3.2Å; V241-E285 WeakPolarHBondContact CG2-OE1 3.38Å; V241-W302 HydrophobicContact CG2-CH2 4.14Å; V241-W302 HydrophobicContact CG2-CZ2 3.97Å
242	F	83	Confident	90.5	Very high	18 Å²	18	36.5 Å²	36.5	8%	0.079	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	12.5	-176.8	-61.2	-53.2	0	0	0	113.8	N198 L225 S240 F246 F282	N198-F242 HydrophobicContact CB-CE2 4.5Å; N198-F242 WeakPolarHBondContact ND2-CE2 3.34Å; L225-F242 HydrophobicContact CD1-CB 4.16Å; L225-F242 HydrophobicContact CD1-CD1 4.44Å; L225-F242 WeakPolarHBondContact CD1-O 3.46Å; S240-F242 VanDerWaalsContact C-N 3.33Å; S240-F242 PolarHBondContact OG-N 2.77Å; F242-F246 HydrophobicContact CB-CD2 3.58Å; F242-F246 HydrophobicContact CB-CE2 3.71Å; F242-F246 HydrophobicContact CB-CG 4.26Å; F242-F246 WeakPolarHBondContact O-CD2 3.29Å; F242-F282 HydrophobicContact CE1-CE2 4.43Å; F242-F282 HydrophobicContact CE1-CZ 4.42Å; F242-F282 HydrophobicContact CZ-CB 4.44Å; F242-F282 HydrophobicContact CZ-CD1 4.35Å; F242-F282 AromaticContact CZ-CD2 3.76Å; F242-F282 HydrophobicContact CZ-CD2 3.76Å; F242-F282 HydrophobicContact CZ-CE2 4Å; F242-F282 AromaticContact CZ-CG 3.92Å; F242-F282 HydrophobicContact CZ-CG 3.92Å; F242-F282 HydrophobicContact CZ-CZ 4.39Å
243	G	80.4	Confident	90.6	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.01	19%	0.191	C	C	.	.			trans	99.9	163.1	173.2	0	0	0	0	0	115.3	D227 D228 S240 Q245 F246	D227-G243 VanDerWaalsContact CG-CA 3.47Å; D227-G243 VanDerWaalsContact OD1-CA 3.25Å; D227-G243 WeakPolarHBondContact OD1-CA 3.13Å; D227-G243 WeakPolarHBondContact OD2-CA 3.45Å; D228-G243 CarbonylContact O-C 3.56Å; D228-G243 WeakPolarHBondContact O-CA 3.45Å; S240-G243 WeakPolarHBondContact CB-O 3.15Å; S240-G243 VanDerWaalsContact OG-C 3.28Å; S240-G243 PolarHBondContact OG-N 2.76Å; S240-G243 PolarHBondContact OG-O 2.95Å; G243-Q245 PolarHBondContact O-N 2.86Å; G243-F246 PolarHBondContact O-N 3.49Å
244	S	78.6	Confident	90.8	Very high	56 Å²	56	37.9 Å²	37.9	39%	0.392	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-8.7	-168.7	60.9	0	0	0	0	118	D228 K230 T231	D228-S244 PolarHBondContact O-N 2.97Å; K230-S244 WeakPolarHBondContact O-CB 3.37Å; T231-S244 WeakPolarHBondContact CG2-O 3.3Å; T231-S244 VanDerWaalsContact OG1-CA 3.32Å; T231-S244 WeakPolarHBondContact OG1-CA 3.5Å; T231-S244 PolarHBondContact OG1-O 2.82Å; T231-S244 VanDerWaalsContact OG1-O 3.08Å
245	Q	81.9	Confident	91.1	Very high	47 Å²	47	34.1 Å²	34.1	22%	0.22	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-34.5	174.4	-65.3	-174.5	-77.2	0	0	111.6	Q155 T157 L160 G243	Q155-Q245 VanDerWaalsContact OE1-CD 3.31Å; T157-Q245 PolarHBondContact OG1-NE2 3.05Å; T157-Q245 PolarHBondContact OG1-OE1 3.28Å; L160-Q245 HydrophobicContact CD1-CB 4.48Å; L160-Q245 WeakPolarHBondContact CD1-O 3.36Å; G243-Q245 PolarHBondContact O-N 2.86Å
246	F	89.5	Confident	91.4	Very high	11 Å²	11	30.6 Å²	30.6	5%	0.048	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	162	174.9	-55.9	-89.4	0	0	0	111.3	T157 L160 S199 V200 T231 S240 F242 G243 T471	T157-F246 HydrophobicContact CG2-CZ 4.46Å; L160-F246 HydrophobicContact CB-CE1 4.29Å; L160-F246 HydrophobicContact CD1-CD1 3.47Å; L160-F246 VanDerWaalsContact CD1-CD1 3.47Å; L160-F246 HydrophobicContact CD1-CE1 3.72Å; L160-F246 HydrophobicContact CD1-CG 3.96Å; L160-F246 HydrophobicContact CD1-CZ 4.42Å; S199-F246 WeakPolarHBondContact OG-CD1 3.48Å; V200-F246 CarbonylContact O-C 3.51Å; V200-F246 WeakPolarHBondContact O-CA 3.31Å; T231-F246 WeakPolarHBondContact CB-O 3.43Å; T231-F246 PolarHBondContact OG1-O 3.25Å; S240-F246 VanDerWaalsContact CB-O 3.24Å; S240-F246 WeakPolarHBondContact CB-O 3.37Å; S240-F246 PolarHBondContact OG-O 3.25Å; F242-F246 HydrophobicContact CB-CD2 3.58Å; F242-F246 HydrophobicContact CB-CE2 3.71Å; F242-F246 HydrophobicContact CB-CG 4.26Å; F242-F246 WeakPolarHBondContact O-CD2 3.29Å; G243-F246 PolarHBondContact O-N 3.49Å; F246-T471 HydrophobicContact CD2-CG2 4.17Å; F246-T471 VanDerWaalsContact CE2-CB 3.48Å; F246-T471 HydrophobicContact CE2-CG2 3.26Å; F246-T471 WeakPolarHBondContact CE2-OG1 3.13Å; F246-T471 HydrophobicContact CZ-CG2 3.87Å; F246-T471 VanDerWaalsContact CZ-OG1 3.31Å; F246-T471 WeakPolarHBondContact CZ-OG1 3.27Å
247	V	93.5	Very high	91.7	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	127.4	162.5	57.4	0	0	0	0	108.9	S199 V200 T207 L213 T231 I233 Y238	S199-V247 CarbonylContact C-O 3.57Å; S199-V247 VanDerWaalsContact CA-O 3.23Å; S199-V247 WeakPolarHBondContact CA-O 3.27Å; S199-V247 VanDerWaalsContact CB-O 3.25Å; S199-V247 WeakPolarHBondContact CB-O 3.41Å; V200-V247 HydrophobicContact CG2-CG1 3.78Å; V200-V247 PolarHBondContact N-O 2.93Å; V200-V247 PolarHBondContact O-N 3.07Å; T207-V247 HydrophobicContact CG2-CG1 3.95Å; L213-V247 HydrophobicContact CB-CG2 4.15Å; L213-V247 HydrophobicContact CD1-CG2 4.33Å; L213-V247 HydrophobicContact CD2-CG1 3.98Å; L213-V247 HydrophobicContact CD2-CG2 3.91Å; L213-V247 HydrophobicContact CG-CG2 4.35Å; T231-V247 HydrophobicContact CG2-CB 4.31Å; I233-V247 HydrophobicContact CD1-CB 4.01Å; I233-V247 HydrophobicContact CD1-CG1 3.82Å; I233-V247 HydrophobicContact CD1-CG2 4.04Å; Y238-V247 HydrophobicContact CG-CG2 4.22Å
248	D	94.7	Very high	91.9	Very high	7 Å²	7	28 Å²	28	4%	0.037	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	142.3	-179.6	-68	-2.8	0	0	0	110.2	N198 S199 E214 Y239 V241	N198-D248 PolarHBondContact ND2-OD1 3.11Å; N198-D248 WeakPolarHBondContact O-CA 3.01Å; S199-D248 VanDerWaalsContact CB-OD1 3.23Å; S199-D248 WeakPolarHBondContact CB-OD1 3.39Å; E214-D248 HydrophobicContact CB-CB 4.14Å; E214-D248 PolarHBondContact N-O 3.4Å; Y239-D248 HydrophobicContact CD1-CB 4.34Å; Y239-D248 VanDerWaalsContact CD1-OD2 3.24Å; Y239-D248 WeakPolarHBondContact CD1-OD2 3.42Å; Y239-D248 VanDerWaalsContact CE1-OD2 3.26Å; Y239-D248 WeakPolarHBondContact CE1-OD2 3.35Å; Y239-D248 PolarHBondContact O-N 3.22Å; V241-D248 WeakPolarHBondContact CB-OD2 3.48Å; V241-D248 PolarHBondContact N-OD1 3.44Å; V241-D248 PolarHBondContact N-OD2 2.58Å
249	L	96.9	Very high	92.1	Very high	4 Å²	4	30.2 Å²	30.2	2%	0.021	16%	0.158	C	C	.	.	B	Isolated β-bridge	trans	-79.7	140	176.9	-64.5	-178.3	0	0	0	110.4	N198 V200 W206 M212 L213 L251 T256 I260	N198-L249 PolarHBondContact O-N 3.29Å; V200-L249 HydrophobicContact CG1-CD1 4.17Å; V200-L249 HydrophobicContact CG1-CD2 4.19Å; V200-L249 HydrophobicContact CG1-CG 4.33Å; V200-L249 HydrophobicContact CG2-CD2 3.88Å; W206-L249 HydrophobicContact CE3-CD1 3.91Å; W206-L249 HydrophobicContact CE3-CD2 4.08Å; W206-L249 HydrophobicContact CZ3-CD1 3.69Å; M212-L249 CarbonylContact O-C 3.58Å; M212-L249 VanDerWaalsContact O-CA 3.32Å; M212-L249 WeakPolarHBondContact O-CA 3.3Å; L213-L249 HydrophobicContact CD2-CD2 4.42Å; L249-L251 VanDerWaalsContact C-N 3.32Å; L249-L251 HydrophobicContact CB-CD2 3.84Å; L249-L251 HydrophobicContact CB-CG 4.26Å; L249-L251 PolarHBondContact O-N 2.68Å; L249-T256 HydrophobicContact CB-CG2 3.99Å; L249-T256 HydrophobicContact CD1-CG2 4.34Å; L249-I260 HydrophobicContact CD1-CD1 4.35Å
250	N	96.1	Very high	92.4	Very high	25 Å²	25	30.1 Å²	30.1	13%	0.134	16%	0.158	C	C	.	.			trans	-76.4	86.4	169.9	-179.5	2.6	0	0	0	109.3	S211 M212 R252 E253 T256	S211-N250 PolarHBondContact O-ND2 3.09Å; M212-N250 PolarHBondContact O-N 3.15Å; N250-R252 PolarHBondContact O-N 3.06Å; N250-R252 WeakPolarHBondContact OD1-CB 3.38Å; N250-R252 PolarHBondContact OD1-N 3.02Å; N250-E253 HydrophobicContact CB-CB 4.43Å; N250-E253 WeakPolarHBondContact O-CB 3.24Å; N250-E253 PolarHBondContact O-N 3.39Å; N250-E253 VanDerWaalsContact O-N 3.13Å; N250-E253 PolarHBondContact OD1-N 3.49Å; N250-T256 VanDerWaalsContact O-CB 3.28Å; N250-T256 WeakPolarHBondContact O-CB 3.43Å; N250-T256 PolarHBondContact O-OG1 3.13Å
251	L	96.9	Very high	92.8	Very high	7 Å²	7	30.4 Å²	30.4	4%	0.037	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	1	-179	-60.5	-174.2	0	0	0	113.9	L249 T256 I260 Y283 V284 V319	L249-L251 VanDerWaalsContact C-N 3.32Å; L249-L251 HydrophobicContact CB-CD2 3.84Å; L249-L251 HydrophobicContact CB-CG 4.26Å; L249-L251 PolarHBondContact O-N 2.68Å; L251-T256 HydrophobicContact CD2-CG2 3.87Å; L251-I260 HydrophobicContact CD2-CD1 3.31Å; L251-Y283 VanDerWaalsContact CD1-CB 3.47Å; L251-Y283 HydrophobicContact CD1-CD1 4.17Å; L251-Y283 HydrophobicContact CD1-CD2 3.93Å; L251-Y283 HydrophobicContact CD1-CG 3.6Å; L251-Y283 WeakPolarHBondContact CD1-O 3.21Å; L251-V284 HydrophobicContact CB-CG2 4.06Å; L251-V319 HydrophobicContact CB-CG2 3.92Å; L251-V319 HydrophobicContact CD1-CG1 4.35Å; L251-V319 HydrophobicContact CD1-CG2 4.19Å
252	R	94.3	Very high	93.4	Very high	113 Å²	113	33.9 Å²	33.9	43%	0.426	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-15.2	167.2	-63.1	-176.6	175.4	93.4	-1.5	112.2	N250 V284 E285	N250-R252 PolarHBondContact O-N 3.06Å; N250-R252 WeakPolarHBondContact OD1-CB 3.38Å; N250-R252 PolarHBondContact OD1-N 3.02Å; R252-V284 HydrophobicContact CG-CG1 4.41Å; R252-E285 PolarHBondContact NH2-O 3.43Å
253	E	95.7	Very high	94.2	Very high	62 Å²	62	33 Å²	33	29%	0.29	17%	0.174	S	C	.	.	S	Bend	trans	-86.6	132.6	-178.6	-176.1	50.9	-117.2	0	0	111.9	N250 V255 T256 L257	N250-E253 HydrophobicContact CB-CB 4.43Å; N250-E253 WeakPolarHBondContact O-CB 3.24Å; N250-E253 PolarHBondContact O-N 3.39Å; N250-E253 VanDerWaalsContact O-N 3.13Å; N250-E253 PolarHBondContact OD1-N 3.49Å; E253-V255 VanDerWaalsContact C-N 3.33Å; E253-V255 HydrophobicContact CG-CB 4.22Å; E253-V255 PolarHBondContact O-N 2.95Å; E253-T256 WeakPolarHBondContact O-CB 3.45Å; E253-T256 PolarHBondContact O-N 3.36Å; E253-L257 PolarHBondContact O-N 3.33Å
254	S	95.9	Very high	95.1	Very high	70 Å²	70	33 Å²	33	49%	0.49	17%	0.174	S	C	.	.	H	α-helix	trans	-60.7	-41.8	-177.7	58.8	0	0	0	0	112.6	T256 L257 D258	S254-T256 VanDerWaalsContact C-N 3.29Å; S254-T256 PolarHBondContact O-N 3.3Å; S254-L257 PolarHBondContact O-N 3.44Å; S254-D258 PolarHBondContact O-N 3.31Å
255	V	96.3	Very high	96	Very high	54 Å²	54	33.2 Å²	33.2	33%	0.327	17%	0.166	S	C	.	.	H	α-helix	trans	-59.1	-41.8	178.1	178.7	0	0	0	0	111	M212 E253 D258 H259	M212-V255 HydrophobicContact CG-CG1 4.33Å; M212-V255 HydrophobicContact SD-CG1 4.42Å; E253-V255 VanDerWaalsContact C-N 3.33Å; E253-V255 HydrophobicContact CG-CB 4.22Å; E253-V255 PolarHBondContact O-N 2.95Å; V255-D258 PolarHBondContact O-N 3.41Å; V255-H259 PolarHBondContact O-CD2 3.03Å; V255-H259 PolarHBondContact O-N 3.31Å; V255-H259 VanDerWaalsContact O-N 3.1Å
256	T	98.1	Very high	96.8	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-62.3	-47.1	177.2	-45.5	0	0	0	0	111.6	M212 L249 N250 L251 E253 S254 D258 H259 I260	M212-T256 WeakPolarHBondContact CA-OG1 3.34Å; M212-T256 HydrophobicContact CB-CG2 4.48Å; M212-T256 HydrophobicContact CE-CG2 4.15Å; L249-T256 HydrophobicContact CB-CG2 3.99Å; L249-T256 HydrophobicContact CD1-CG2 4.34Å; N250-T256 VanDerWaalsContact O-CB 3.28Å; N250-T256 WeakPolarHBondContact O-CB 3.43Å; N250-T256 PolarHBondContact O-OG1 3.13Å; L251-T256 HydrophobicContact CD2-CG2 3.87Å; E253-T256 WeakPolarHBondContact O-CB 3.45Å; E253-T256 PolarHBondContact O-N 3.36Å; S254-T256 VanDerWaalsContact C-N 3.29Å; S254-T256 PolarHBondContact O-N 3.3Å; T256-D258 VanDerWaalsContact C-N 3.28Å; T256-D258 PolarHBondContact O-N 3.48Å; T256-H259 PolarHBondContact O-N 2.83Å; T256-I260 HydrophobicContact CG2-CD1 4.09Å; T256-I260 WeakPolarHBondContact O-CG1 3.14Å; T256-I260 PolarHBondContact O-N 2.94Å
257	L	98.1	Very high	97.3	Very high	33 Å²	33	33.2 Å²	33.2	17%	0.173	17%	0.166	C	C	.	.	H	α-helix	trans	-65.8	-30.6	179.8	-64.4	179.7	0	0	0	112.8	E253 S254 S261 V319 R322	E253-L257 PolarHBondContact O-N 3.33Å; S254-L257 PolarHBondContact O-N 3.44Å; L257-S261 WeakPolarHBondContact O-CB 3.48Å; L257-S261 PolarHBondContact O-N 3.33Å; L257-S261 PolarHBondContact O-OG 3.05Å; L257-V319 HydrophobicContact CD2-CB 4.44Å; L257-V319 HydrophobicContact CD2-CG1 4.05Å; L257-V319 HydrophobicContact CD2-CG2 4.05Å; L257-R322 HydrophobicContact CB-CG 4.38Å
258	D	98	Very high	97.5	Very high	69 Å²	69	33.5 Å²	33.5	37%	0.369	17%	0.167	S	C	.	.	H	α-helix	trans	-69.3	-46.5	174.6	-71.7	-17.4	0	0	0	111	S254 V255 T256 I260 S261 D262 R322	S254-D258 PolarHBondContact O-N 3.31Å; V255-D258 PolarHBondContact O-N 3.41Å; T256-D258 VanDerWaalsContact C-N 3.28Å; T256-D258 PolarHBondContact O-N 3.48Å; D258-I260 PolarHBondContact O-N 2.62Å; D258-S261 WeakPolarHBondContact O-CB 3.28Å; D258-S261 PolarHBondContact O-N 3.4Å; D258-S261 VanDerWaalsContact O-N 3.13Å; D258-D262 PolarHBondContact O-N 2.92Å; D258-R322 IonicContact OD1-CZ 3.9Å; D258-R322 IonicContact OD1-NH2 3.67Å; D258-R322 PolarHBondContact OD1-NH2 3.45Å
259	H	98.3	Very high	97.7	Very high	55 Å²	55	38.3 Å²	38.3	26%	0.255	19%	0.193	S	C	.	.	H	α-helix	trans	-60.5	-41.6	174.4	-79.6	-68.6	0	0	0	113.1	W206 M212 V255 T256 S261 D262 V263	W206-H259 HydrophobicContact CH2-CB 4.17Å; W206-H259 HydrophobicContact CZ2-CB 3.78Å; M212-H259 HydrophobicContact CE-CB 3.93Å; M212-H259 VanDerWaalsContact SD-CD2 3.55Å; V255-H259 PolarHBondContact O-CD2 3.03Å; V255-H259 PolarHBondContact O-N 3.31Å; V255-H259 VanDerWaalsContact O-N 3.1Å; T256-H259 PolarHBondContact O-N 2.83Å; H259-S261 VanDerWaalsContact C-N 3.33Å; H259-S261 PolarHBondContact O-N 3.19Å; H259-D262 PolarHBondContact O-N 2.93Å; H259-V263 WeakPolarHBondContact O-CG2 3.34Å; H259-V263 PolarHBondContact O-N 2.97Å
260	I	98.6	Very high	97.8	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-62.8	-41.5	174.5	-71.5	167.7	0	0	0	111.1	F197 W206 L249 L251 T256 D258 D262 V263 A264 I323	F197-I260 HydrophobicContact CB-CD1 3.9Å; F197-I260 HydrophobicContact CB-CG1 4.3Å; F197-I260 HydrophobicContact CD1-CD1 4.38Å; F197-I260 HydrophobicContact CD1-CG1 3.85Å; F197-I260 HydrophobicContact CD1-CG2 4.18Å; F197-I260 HydrophobicContact CD2-CG2 3.65Å; F197-I260 HydrophobicContact CE1-CG1 4.31Å; F197-I260 HydrophobicContact CE1-CG2 4.23Å; F197-I260 HydrophobicContact CE2-CG2 3.71Å; F197-I260 HydrophobicContact CG-CD1 4.16Å; F197-I260 HydrophobicContact CG-CG1 4.03Å; F197-I260 HydrophobicContact CG-CG2 3.89Å; F197-I260 HydrophobicContact CZ-CG2 4Å; W206-I260 HydrophobicContact CH2-CG1 4.19Å; W206-I260 HydrophobicContact CZ3-CG1 4.21Å; L249-I260 HydrophobicContact CD1-CD1 4.35Å; L251-I260 HydrophobicContact CD2-CD1 3.31Å; T256-I260 HydrophobicContact CG2-CD1 4.09Å; T256-I260 WeakPolarHBondContact O-CG1 3.14Å; T256-I260 PolarHBondContact O-N 2.94Å; D258-I260 PolarHBondContact O-N 2.62Å; I260-D262 VanDerWaalsContact C-N 3.26Å; I260-D262 PolarHBondContact O-N 2.63Å; I260-V263 PolarHBondContact O-N 3.17Å; I260-A264 PolarHBondContact O-N 3.19Å; I260-I323 HydrophobicContact CG2-CD1 3.76Å; I260-I323 HydrophobicContact CG2-CG1 3.95Å
261	S	98.8	Very high	97.8	Very high	5 Å²	5	40.2 Å²	40.2	4%	0.035	21%	0.207	C	C	.	.	H	α-helix	trans	-61.7	-36.9	176.4	-62.2	0	0	0	0	111.6	L257 D258 H259 R265	L257-S261 WeakPolarHBondContact O-CB 3.48Å; L257-S261 PolarHBondContact O-N 3.33Å; L257-S261 PolarHBondContact O-OG 3.05Å; D258-S261 WeakPolarHBondContact O-CB 3.28Å; D258-S261 PolarHBondContact O-N 3.4Å; D258-S261 VanDerWaalsContact O-N 3.13Å; H259-S261 VanDerWaalsContact C-N 3.33Å; H259-S261 PolarHBondContact O-N 3.19Å; S261-R265 WeakPolarHBondContact O-CB 3.22Å; S261-R265 PolarHBondContact O-N 3.38Å
262	D	98.8	Very high	97.9	Very high	74 Å²	74	39.9 Å²	39.9	40%	0.396	21%	0.205	S	C	.	.	H	α-helix	trans	-70.2	-40.5	177.3	-71	-19.1	0	0	0	112.5	D258 H259 I260 R265 F266	D258-D262 PolarHBondContact O-N 2.92Å; H259-D262 PolarHBondContact O-N 2.93Å; I260-D262 VanDerWaalsContact C-N 3.26Å; I260-D262 PolarHBondContact O-N 2.63Å; D262-R265 PolarHBondContact O-N 3.2Å; D262-R265 IonicContact OD1-NH1 2.84Å; D262-R265 PolarHBondContact OD1-NH1 3.14Å; D262-F266 VanDerWaalsContact O-CB 3.29Å; D262-F266 WeakPolarHBondContact O-CB 3.41Å; D262-F266 PolarHBondContact O-N 3.04Å
263	V	98.8	Very high	98.2	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-58.9	-50.3	171.6	172.1	0	0	0	0	110.4	F164 Y165 M195 F197 W206 H259 I260 R265 F266 W267	F164-V263 HydrophobicContact CB-CB 4.47Å; F164-V263 HydrophobicContact CB-CG1 3.76Å; F164-V263 HydrophobicContact CB-CG2 3.78Å; F164-V263 HydrophobicContact CG-CG1 4.31Å; F164-V263 HydrophobicContact CG-CG2 4.4Å; Y165-V263 HydrophobicContact CD2-CG2 4.46Å; Y165-V263 HydrophobicContact CE1-CG2 4.22Å; Y165-V263 HydrophobicContact CE2-CG2 3.71Å; Y165-V263 PolarHBondContact OH-N 3.44Å; M195-V263 HydrophobicContact SD-CG1 4.4Å; F197-V263 HydrophobicContact CE1-CB 4.27Å; F197-V263 HydrophobicContact CE1-CG1 3.94Å; F197-V263 HydrophobicContact CZ-CB 4.24Å; F197-V263 HydrophobicContact CZ-CG1 3.83Å; W206-V263 HydrophobicContact CH2-CG2 3.93Å; W206-V263 HydrophobicContact CZ2-CG2 3.79Å; H259-V263 WeakPolarHBondContact O-CG2 3.34Å; H259-V263 PolarHBondContact O-N 2.97Å; I260-V263 PolarHBondContact O-N 3.17Å; V263-R265 VanDerWaalsContact C-N 3.32Å; V263-R265 PolarHBondContact O-N 2.69Å; V263-F266 PolarHBondContact O-N 3.32Å; V263-W267 VanDerWaalsContact O-CD1 3.27Å; V263-W267 PolarHBondContact O-N 2.63Å; V263-W267 VanDerWaalsContact O-N 3.11Å
264	A	98.9	Very high	98.3	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-57.9	-45.5	178.9	0	0	0	0	0	111.4	I260 L268 I275 I323 V326	I260-A264 PolarHBondContact O-N 3.19Å; A264-L268 WeakPolarHBondContact O-CB 3.48Å; A264-L268 WeakPolarHBondContact O-CD1 3.47Å; A264-L268 WeakPolarHBondContact O-CG 3.18Å; A264-L268 PolarHBondContact O-N 3.33Å; A264-L268 VanDerWaalsContact O-N 3.1Å; A264-I275 HydrophobicContact CB-CD1 3.71Å; A264-I323 HydrophobicContact CB-CG2 4.22Å; A264-V326 HydrophobicContact CB-CG1 4.32Å
265	R	98.7	Very high	98.4	Very high	60 Å²	60	28.6 Å²	28.6	23%	0.226	15%	0.149	C	C	.	.	H	α-helix	trans	-64.2	-43.3	178.3	-172.9	177	-69.2	96	1.4	112	S261 D262 V263 L268 N269 V326 E329 V330	S261-R265 WeakPolarHBondContact O-CB 3.22Å; S261-R265 PolarHBondContact O-N 3.38Å; D262-R265 PolarHBondContact O-N 3.2Å; D262-R265 IonicContact OD1-NH1 2.84Å; D262-R265 PolarHBondContact OD1-NH1 3.14Å; V263-R265 VanDerWaalsContact C-N 3.32Å; V263-R265 PolarHBondContact O-N 2.69Å; R265-L268 PolarHBondContact O-N 3.22Å; R265-N269 WeakPolarHBondContact O-CB 3.42Å; R265-N269 VanDerWaalsContact O-CG 3.23Å; R265-N269 PolarHBondContact O-N 3.1Å; R265-N269 PolarHBondContact O-ND2 3Å; R265-V326 HydrophobicContact CB-CG1 3.74Å; R265-V326 HydrophobicContact CG-CG1 4.42Å; R265-E329 IonicContact CZ-OE2 3.54Å; R265-E329 IonicContact NE-OE1 3.81Å; R265-E329 IonicContact NE-OE2 3.47Å; R265-E329 IonicContact NH2-OE1 3.51Å; R265-E329 IonicContact NH2-OE2 2.7Å; R265-E329 PolarHBondContact NH2-OE2 3.23Å; R265-V330 HydrophobicContact CG-CG2 4.38Å
266	F	98.8	Very high	98.6	Very high	59 Å²	59	26.1 Å²	26.1	26%	0.259	13%	0.134	S	C	.	.	H	α-helix	trans	-55.7	-54.5	178.4	171.5	-98.3	0	0	0	110.9	Y165 M174 D262 V263 L268 N269 E270	Y165-F266 HydrophobicContact CD1-CB 4.17Å; Y165-F266 AromaticContact CD1-CD1 3.76Å; Y165-F266 HydrophobicContact CD1-CD1 3.76Å; Y165-F266 HydrophobicContact CD1-CD2 4.14Å; Y165-F266 HydrophobicContact CD1-CE1 4.16Å; Y165-F266 AromaticContact CD1-CG 3.75Å; Y165-F266 HydrophobicContact CD1-CG 3.75Å; Y165-F266 HydrophobicContact CE1-CB 3.88Å; Y165-F266 HydrophobicContact CE1-CD1 4.32Å; Y165-F266 HydrophobicContact CE1-CD2 4.45Å; Y165-F266 AromaticContact CE1-CG 3.97Å; Y165-F266 HydrophobicContact CE1-CG 3.97Å; M174-F266 HydrophobicContact CE-CE1 4.48Å; M174-F266 HydrophobicContact CE-CZ 4.24Å; D262-F266 VanDerWaalsContact O-CB 3.29Å; D262-F266 WeakPolarHBondContact O-CB 3.41Å; D262-F266 PolarHBondContact O-N 3.04Å; V263-F266 PolarHBondContact O-N 3.32Å; F266-L268 PolarHBondContact O-N 3.02Å; F266-N269 CarbonylContact O-C 3.23Å; F266-N269 WeakPolarHBondContact O-CA 3.3Å; F266-N269 WeakPolarHBondContact O-CB 3.07Å; F266-N269 PolarHBondContact O-N 3.17Å; F266-N269 VanDerWaalsContact O-N 3.09Å; F266-E270 HydrophobicContact CD1-CG 4.38Å; F266-E270 HydrophobicContact CE1-CG 3.95Å; F266-E270 HydrophobicContact CE2-CG 4.2Å; F266-E270 HydrophobicContact CZ-CG 3.85Å; F266-E270 PolarHBondContact O-N 2.83Å
267	W	98.8	Very high	98.6	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-68.5	-36.3	-177.1	-74.2	105.3	0	0	0	113.4	F147 F164 I167 M174 F177 L193 M195 V263 N269 E270 G271 I272	F147-W267 AromaticContact CD1-CZ2 3.79Å; F147-W267 HydrophobicContact CD1-CZ2 3.79Å; F147-W267 HydrophobicContact CE1-CD2 4.21Å; F147-W267 AromaticContact CE1-CE2 3.46Å; F147-W267 VanDerWaalsContact CE1-CE2 3.46Å; F147-W267 HydrophobicContact CE1-CH2 4.39Å; F147-W267 AromaticContact CE1-CZ2 3.58Å; F147-W267 HydrophobicContact CE1-CZ2 3.58Å; F147-W267 AromaticContact CE1-NE1 3.41Å; F164-W267 WeakPolarHBondContact O-CZ2 3.43Å; F164-W267 PolarHBondContact O-NE1 3.25Å; I167-W267 HydrophobicContact CD1-CH2 4.2Å; I167-W267 HydrophobicContact CG1-CH2 3.79Å; M174-W267 HydrophobicContact CE-CH2 4.24Å; M174-W267 HydrophobicContact CE-CZ3 4.29Å; M174-W267 HydrophobicContact SD-CH2 3.91Å; M174-W267 HydrophobicContact SD-CZ3 4.42Å; F177-W267 AromaticContact CD1-CZ3 3.85Å; F177-W267 HydrophobicContact CD1-CZ3 3.85Å; F177-W267 HydrophobicContact CD2-CZ3 4.22Å; F177-W267 AromaticContact CE1-CE3 3.78Å; F177-W267 HydrophobicContact CE1-CE3 3.78Å; F177-W267 AromaticContact CE1-CZ3 3.5Å; F177-W267 HydrophobicContact CE1-CZ3 3.5Å; F177-W267 VanDerWaalsContact CE1-CZ3 3.5Å; F177-W267 HydrophobicContact CE2-CE3 4.33Å; F177-W267 AromaticContact CE2-CZ3 3.88Å; F177-W267 HydrophobicContact CE2-CZ3 3.88Å; F177-W267 HydrophobicContact CG-CZ3 4.2Å; F177-W267 AromaticContact CZ-CE3 3.63Å; F177-W267 HydrophobicContact CZ-CE3 3.63Å; F177-W267 AromaticContact CZ-CZ3 3.49Å; F177-W267 HydrophobicContact CZ-CZ3 3.49Å; F177-W267 VanDerWaalsContact CZ-CZ3 3.49Å; L193-W267 HydrophobicContact CD2-CD2 3.94Å; L193-W267 HydrophobicContact CD2-CE3 3.87Å; L193-W267 HydrophobicContact CD2-CG 4.28Å; L193-W267 HydrophobicContact CD2-CZ3 4.36Å; M195-W267 HydrophobicContact CE-CB 3.62Å; M195-W267 HydrophobicContact CE-CG 3.65Å; V263-W267 VanDerWaalsContact O-CD1 3.27Å; V263-W267 PolarHBondContact O-N 2.63Å; V263-W267 VanDerWaalsContact O-N 3.11Å; W267-N269 PolarHBondContact O-N 3.27Å; W267-E270 HydrophobicContact CE3-CB 4.39Å; W267-E270 WeakPolarHBondContact O-CB 3.11Å; W267-E270 PolarHBondContact O-N 3.5Å; W267-E270 VanDerWaalsContact O-N 3.14Å; W267-G271 PolarHBondContact O-N 3.12Å; W267-I272 HydrophobicContact CB-CD1 3.71Å; W267-I272 WeakPolarHBondContact O-CG1 3.4Å
268	L	98.9	Very high	98.5	Very high	5 Å²	5	25.5 Å²	25.5	3%	0.026	13%	0.131	C	C	.	.	H	α-helix	trans	-60.4	-36	171.8	-71.1	165.4	0	0	0	111.8	A264 R265 F266 G271 I272 I275 V326 V327 V330 K338	A264-L268 WeakPolarHBondContact O-CB 3.48Å; A264-L268 WeakPolarHBondContact O-CD1 3.47Å; A264-L268 WeakPolarHBondContact O-CG 3.18Å; A264-L268 PolarHBondContact O-N 3.33Å; A264-L268 VanDerWaalsContact O-N 3.1Å; R265-L268 PolarHBondContact O-N 3.22Å; F266-L268 PolarHBondContact O-N 3.02Å; L268-G271 PolarHBondContact O-N 3.43Å; L268-I272 HydrophobicContact CD2-CG1 4.08Å; L268-I275 HydrophobicContact CD1-CD1 4.13Å; L268-I275 HydrophobicContact CD2-CD1 4.45Å; L268-I275 HydrophobicContact CD2-CG1 4.44Å; L268-I275 HydrophobicContact CG-CD1 4.1Å; L268-V326 HydrophobicContact CD1-CG1 4.3Å; L268-V327 HydrophobicContact CD1-CG2 4.01Å; L268-V330 HydrophobicContact CB-CB 4.29Å; L268-V330 HydrophobicContact CB-CG1 3.9Å; L268-V330 HydrophobicContact CB-CG2 4.19Å; L268-V330 HydrophobicContact CD1-CB 4.23Å; L268-V330 HydrophobicContact CD1-CG2 4.09Å; L268-K338 HydrophobicContact CD2-CB 4.31Å; L268-K338 HydrophobicContact CD2-CD 4.12Å; L268-K338 HydrophobicContact CD2-CG 4.23Å
269	N	98.1	Very high	98.3	Very high	109 Å²	109	23.3 Å²	23.3	58%	0.583	12%	0.119	S	C	*	.	H	α-helix	trans	-74.4	-28.2	174.7	-72	-25.2	0	0	0	113	R265 F266 W267 G271	R265-N269 WeakPolarHBondContact O-CB 3.42Å; R265-N269 VanDerWaalsContact O-CG 3.23Å; R265-N269 PolarHBondContact O-N 3.1Å; R265-N269 PolarHBondContact O-ND2 3Å; F266-N269 CarbonylContact O-C 3.23Å; F266-N269 WeakPolarHBondContact O-CA 3.3Å; F266-N269 WeakPolarHBondContact O-CB 3.07Å; F266-N269 PolarHBondContact O-N 3.17Å; F266-N269 VanDerWaalsContact O-N 3.09Å; W267-N269 PolarHBondContact O-N 3.27Å; N269-G271 PolarHBondContact O-N 2.9Å
270	E	98.1	Very high	98.2	Very high	48 Å²	48	20.7 Å²	20.7	22%	0.224	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-4.2	170.2	-71.4	-63.6	151.7	0	0	113.1	M174 F177 K178 F266 W267	M174-E270 HydrophobicContact CE-CG 4.35Å; F177-E270 HydrophobicContact CE1-CB 4.12Å; K178-E270 WeakPolarHBondContact CE-OE2 3.42Å; K178-E270 IonicContact NZ-OE1 3.1Å; K178-E270 IonicContact NZ-OE2 3.12Å; F266-E270 HydrophobicContact CD1-CG 4.38Å; F266-E270 HydrophobicContact CE1-CG 3.95Å; F266-E270 HydrophobicContact CE2-CG 4.2Å; F266-E270 HydrophobicContact CZ-CG 3.85Å; F266-E270 PolarHBondContact O-N 2.83Å; W267-E270 HydrophobicContact CE3-CB 4.39Å; W267-E270 WeakPolarHBondContact O-CB 3.11Å; W267-E270 PolarHBondContact O-N 3.5Å; W267-E270 VanDerWaalsContact O-N 3.14Å
271	G	97.9	Very high	97.9	Very high	21 Å²	21	20.6 Å²	20.6	22%	0.216	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	108.5	3.7	162.9	0	0	0	0	0	115.2	H185 W267 L268 N269	H185-G271 PolarHBondContact CE1-O 3.09Å; H185-G271 VanDerWaalsContact CE1-O 3.27Å; W267-G271 PolarHBondContact O-N 3.12Å; L268-G271 PolarHBondContact O-N 3.43Å; N269-G271 PolarHBondContact O-N 2.9Å
272	I	98.8	Very high	97.5	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.106	C	C	.	.			trans	-62.4	150.2	171.5	73.8	-176.3	0	0	0	110.3	F177 V191 L193 M195 W267 L268 G274 I275 K338	F177-I272 HydrophobicContact CE1-CG2 4.43Å; F177-I272 HydrophobicContact CE2-CG2 4.42Å; F177-I272 HydrophobicContact CZ-CG2 3.57Å; V191-I272 HydrophobicContact CG1-CG2 4.16Å; L193-I272 HydrophobicContact CB-CD1 3.86Å; L193-I272 HydrophobicContact CB-CG2 4.36Å; M195-I272 HydrophobicContact CE-CD1 4.28Å; W267-I272 HydrophobicContact CB-CD1 3.71Å; W267-I272 WeakPolarHBondContact O-CG1 3.4Å; L268-I272 HydrophobicContact CD2-CG1 4.08Å; I272-G274 WeakPolarHBondContact CD1-O 3.4Å; I272-I275 HydrophobicContact CD1-CG1 3.97Å; I272-K338 PolarHBondContact O-NZ 3.09Å
273	D	98.9	Very high	97.3	Very high	7 Å²	7	17.4 Å²	17.4	4%	0.037	9%	0.088	C	C	.	.	S	Bend	trans	-96.4	-3.7	-178.9	-59	-61.8	0	0	0	113	F97 H185 H190 V191 K338 L339	F97-D273 HydrophobicContact CE1-CB 3.93Å; F97-D273 HydrophobicContact CZ-CB 4.01Å; H185-D273 IonicContact CD2-OD2 2.71Å; H185-D273 IonicContact CE1-OD2 3.6Å; H185-D273 IonicContact NE2-OD1 2.84Å; H185-D273 IonicContact NE2-OD2 3.15Å; H185-D273 PolarHBondContact NE2-OD2 3.36Å; H190-D273 VanDerWaalsContact CA-OD2 3.22Å; H190-D273 WeakPolarHBondContact CA-OD2 3.17Å; H190-D273 HydrophobicContact CB-CB 3.8Å; H190-D273 WeakPolarHBondContact CB-OD2 3.37Å; H190-D273 IonicContact CD2-OD2 2.75Å; H190-D273 IonicContact CG-OD2 2.56Å; V191-D273 PolarHBondContact N-OD2 3.04Å; V191-D273 WeakPolarHBondContact O-CA 3.49Å; V191-D273 PolarHBondContact O-N 3.27Å; D273-K338 CarbonylContact O-C 3.58Å; D273-K338 VanDerWaalsContact O-CA 3.28Å; D273-K338 WeakPolarHBondContact O-CA 3.41Å; D273-K338 IonicContact OD1-NZ 2.99Å; D273-K338 PolarHBondContact OD1-NZ 3.48Å; D273-L339 PolarHBondContact O-N 2.97Å
274	G	98.9	Very high	97	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.4	168.1	177	0	0	0	0	0	114.6	V191 V192 L193 I272 L339	V191-G274 PolarHBondContact O-N 3.38Å; V192-G274 VanDerWaalsContact CA-O 3.3Å; V192-G274 WeakPolarHBondContact CA-O 3.16Å; L193-G274 PolarHBondContact N-O 3.38Å; I272-G274 WeakPolarHBondContact CD1-O 3.4Å; G274-L339 CarbonylContact C-O 3.57Å; G274-L339 WeakPolarHBondContact CA-O 3.19Å
275	I	98.9	Very high	96.4	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	137.7	173.7	-61.1	169.6	0	0	0	108.6	L193 M195 A264 L268 I272 L277 V327 L339 L340 A341	L193-I275 WeakPolarHBondContact O-CA 3.42Å; M195-I275 HydrophobicContact CB-CG2 4.31Å; M195-I275 HydrophobicContact CE-CD1 4.25Å; M195-I275 HydrophobicContact CE-CG1 4.15Å; M195-I275 HydrophobicContact CG-CG2 4.24Å; M195-I275 HydrophobicContact SD-CD1 4.09Å; M195-I275 HydrophobicContact SD-CG1 4.24Å; M195-I275 HydrophobicContact SD-CG2 3.79Å; A264-I275 HydrophobicContact CB-CD1 3.71Å; L268-I275 HydrophobicContact CD1-CD1 4.13Å; L268-I275 HydrophobicContact CD2-CD1 4.45Å; L268-I275 HydrophobicContact CD2-CG1 4.44Å; L268-I275 HydrophobicContact CG-CD1 4.1Å; I272-I275 HydrophobicContact CD1-CG1 3.97Å; I275-L277 HydrophobicContact CG2-CD2 3.63Å; I275-L277 HydrophobicContact CG2-CG 4.17Å; I275-V327 HydrophobicContact CD1-CG2 4.49Å; I275-L339 PolarHBondContact N-O 3.49Å; I275-L340 HydrophobicContact CB-CD1 4.18Å; I275-L340 HydrophobicContact CG2-CD1 4.4Å; I275-L340 WeakPolarHBondContact O-CA 3.33Å; I275-A341 PolarHBondContact O-N 2.83Å
276	L	98.9	Very high	95.4	Very high	2 Å²	2	17.6 Å²	17.6	1%	0.01	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	111.9	162.6	171.3	60	0	0	0	107.9	W105 V142 V192 L193 T194 M195 A341 D343 V374	W105-L276 HydrophobicContact CH2-CD2 4.39Å; W105-L276 HydrophobicContact CZ2-CD2 3.86Å; V142-L276 HydrophobicContact CG1-CB 4.26Å; V142-L276 HydrophobicContact CG1-CD2 3.61Å; V192-L276 HydrophobicContact CG1-CB 4.13Å; L193-L276 PolarHBondContact O-N 3.45Å; T194-L276 CarbonylContact C-O 3.5Å; T194-L276 WeakPolarHBondContact CA-O 3.21Å; T194-L276 HydrophobicContact CG2-CG 4.41Å; M195-L276 PolarHBondContact N-O 3.3Å; L276-A341 CarbonylContact C-O 3.48Å; L276-A341 WeakPolarHBondContact CA-O 3.26Å; L276-A341 HydrophobicContact CB-CB 4.46Å; L276-A341 HydrophobicContact CD1-CB 3.72Å; L276-D343 HydrophobicContact CD1-CB 4.21Å; L276-V374 HydrophobicContact CD1-CG2 3.91Å
277	L	98.8	Very high	94	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	119.5	173.6	-59.1	176.5	0	0	0	109.1	M195 F197 I275 V280 V320 I323 L340 A341 V342 D343	M195-L277 HydrophobicContact CB-CD2 4.38Å; M195-L277 CarbonylContact O-C 3.51Å; M195-L277 WeakPolarHBondContact O-CA 3.34Å; F197-L277 HydrophobicContact CD2-CD2 3.87Å; F197-L277 HydrophobicContact CE2-CD2 3.78Å; I275-L277 HydrophobicContact CG2-CD2 3.63Å; I275-L277 HydrophobicContact CG2-CG 4.17Å; L277-V280 HydrophobicContact CB-CG1 3.57Å; L277-V320 HydrophobicContact CD1-CB 4.48Å; L277-V320 HydrophobicContact CD1-CG1 4.34Å; L277-V320 HydrophobicContact CD1-CG2 4.13Å; L277-I323 HydrophobicContact CD1-CB 4.35Å; L277-I323 HydrophobicContact CD1-CD1 3.51Å; L277-I323 HydrophobicContact CD1-CG2 4.31Å; L277-I323 HydrophobicContact CD2-CD1 3.81Å; L277-I323 HydrophobicContact CG-CD1 4.32Å; L277-L340 HydrophobicContact CD1-CD1 3.88Å; L277-L340 HydrophobicContact CG-CD1 3.89Å; L277-A341 PolarHBondContact N-O 3.3Å; L277-V342 HydrophobicContact CB-CG1 4.15Å; L277-V342 HydrophobicContact CD1-CG1 4.3Å; L277-V342 CarbonylContact O-C 3.47Å; L277-V342 VanDerWaalsContact O-CA 3.3Å; L277-V342 WeakPolarHBondContact O-CA 3.5Å; L277-D343 PolarHBondContact O-N 2.7Å
278	D	96.8	Very high	92.3	Very high	20 Å²	20	20.2 Å²	20.2	11%	0.107	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	161.5	177.8	-152.5	-6.9	0	0	0	110.9	T194 M195 D196 V280 Y283 D343	T194-D278 HydrophobicContact CG2-CB 3.78Å; M195-D278 PolarHBondContact O-N 3.46Å; D196-D278 HydrophobicContact CB-CB 4.32Å; D278-V280 PolarHBondContact O-N 3.34Å; D278-Y283 VanDerWaalsContact O-CE1 3.24Å; D278-Y283 WeakPolarHBondContact O-CE1 3.35Å; D278-Y283 PolarHBondContact O-OH 3.5Å; D278-Y283 VanDerWaalsContact O-OH 3.04Å; D278-D343 CarbonylContact C-O 3.18Å
279	N	93.5	Very high	90.7	Very high	23 Å²	23	27.1 Å²	27.1	12%	0.123	15%	0.152	C	C	.	.	S	Bend	trans	52.7	28.8	176.4	-69.3	-40	0	0	0	114.5	D196 A281 F282 Y283 D343 G345	D196-N279 PolarHBondContact OD2-ND2 3.27Å; N279-A281 PolarHBondContact O-N 3.33Å; N279-F282 HydrophobicContact CB-CD2 3.9Å; N279-F282 PolarHBondContact O-N 2.96Å; N279-Y283 WeakPolarHBondContact O-CD1 3.21Å; N279-D343 PolarHBondContact N-O 3.14Å; N279-D343 VanDerWaalsContact N-O 3.14Å; N279-G345 WeakPolarHBondContact OD1-CA 3.4Å
280	V	95.8	Very high	88.9	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-19.8	-174.6	-60.1	0	0	0	0	113.3	L277 D278 F282 Y283 V320 V342 D343 Y361	L277-V280 HydrophobicContact CB-CG1 3.57Å; D278-V280 PolarHBondContact O-N 3.34Å; V280-F282 PolarHBondContact O-N 3.35Å; V280-Y283 HydrophobicContact CB-CD2 4.41Å; V280-Y283 HydrophobicContact CB-CE2 4.32Å; V280-Y283 HydrophobicContact CG1-CD2 4.39Å; V280-Y283 HydrophobicContact CG1-CE1 4.35Å; V280-Y283 HydrophobicContact CG1-CE2 3.82Å; V280-V320 HydrophobicContact CB-CG2 4.46Å; V280-V320 HydrophobicContact CG1-CG2 4.18Å; V280-V342 HydrophobicContact CG1-CB 4Å; V280-V342 HydrophobicContact CG1-CG1 4.09Å; V280-V342 HydrophobicContact CG2-CB 3.99Å; V280-V342 HydrophobicContact CG2-CG2 4.42Å; V280-D343 WeakPolarHBondContact CG2-O 3.34Å; V280-D343 PolarHBondContact N-O 3Å; V280-D343 VanDerWaalsContact N-O 3.16Å; V280-Y361 HydrophobicContact CB-CE1 4.22Å; V280-Y361 HydrophobicContact CB-CE2 4.44Å; V280-Y361 HydrophobicContact CG2-CD1 4.12Å; V280-Y361 HydrophobicContact CG2-CD2 3.61Å; V280-Y361 HydrophobicContact CG2-CE1 3.98Å; V280-Y361 HydrophobicContact CG2-CE2 3.43Å; V280-Y361 VanDerWaalsContact CG2-CE2 3.43Å; V280-Y361 HydrophobicContact CG2-CG 3.98Å; V280-Y361 PolarHBondContact O-OH 3.25Å; V280-Y361 VanDerWaalsContact O-OH 3.05Å
281	A	91.5	Very high	87.1	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-34.3	173.4	0	0	0	0	0	112.3	N279 I311 Y312 A344 T347 Y361	N279-A281 PolarHBondContact O-N 3.33Å; A281-I311 HydrophobicContact CB-CB 4.03Å; A281-I311 HydrophobicContact CB-CD1 3.88Å; A281-I311 HydrophobicContact CB-CG1 4.43Å; A281-I311 HydrophobicContact CB-CG2 4.48Å; A281-I311 WeakPolarHBondContact O-CA 3.3Å; A281-I311 WeakPolarHBondContact O-CB 3.48Å; A281-I311 WeakPolarHBondContact O-CG2 3.14Å; A281-Y312 HydrophobicContact CB-CD1 4.37Å; A281-Y312 HydrophobicContact CB-CE1 4.04Å; A281-Y312 HydrophobicContact CB-CE2 4.29Å; A281-Y312 PolarHBondContact O-N 2.89Å; A281-A344 HydrophobicContact CB-CB 4.23Å; A281-A344 WeakPolarHBondContact CB-O 3.09Å; A281-A344 PolarHBondContact N-O 3.24Å; A281-T347 HydrophobicContact CB-CG2 3.92Å; A281-Y361 VanDerWaalsContact CA-OH 3.31Å; A281-Y361 WeakPolarHBondContact CA-OH 3.26Å
282	F	90.9	Very high	85.3	Confident	2 Å²	2	27.8 Å²	27.8	1%	0.009	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-13.2	-172.8	-57.3	-78.3	0	0	0	114.2	N198 V241 F242 N279 V280 V284 W302 I311 N346 T347	N198-F282 WeakPolarHBondContact OD1-CB 3.45Å; N198-F282 PolarHBondContact OD1-O 3.17Å; V241-F282 HydrophobicContact CG1-CB 4.48Å; V241-F282 HydrophobicContact CG2-CD1 4.06Å; F242-F282 HydrophobicContact CE1-CE2 4.43Å; F242-F282 HydrophobicContact CE1-CZ 4.42Å; F242-F282 HydrophobicContact CZ-CB 4.44Å; F242-F282 HydrophobicContact CZ-CD1 4.35Å; F242-F282 AromaticContact CZ-CD2 3.76Å; F242-F282 HydrophobicContact CZ-CD2 3.76Å; F242-F282 HydrophobicContact CZ-CE2 4Å; F242-F282 AromaticContact CZ-CG 3.92Å; F242-F282 HydrophobicContact CZ-CG 3.92Å; F242-F282 HydrophobicContact CZ-CZ 4.39Å; N279-F282 HydrophobicContact CB-CD2 3.9Å; N279-F282 PolarHBondContact O-N 2.96Å; V280-F282 PolarHBondContact O-N 3.35Å; F282-V284 VanDerWaalsContact C-N 3.32Å; F282-V284 PolarHBondContact O-N 3.32Å; F282-V284 VanDerWaalsContact O-N 3.15Å; F282-W302 HydrophobicContact CD1-CH2 4.19Å; F282-W302 AromaticContact CE1-CH2 3.76Å; F282-W302 HydrophobicContact CE1-CH2 3.76Å; F282-W302 AromaticContact CE1-CZ3 3.92Å; F282-W302 HydrophobicContact CE1-CZ3 3.92Å; F282-I311 HydrophobicContact CD1-CG2 3.59Å; F282-I311 HydrophobicContact CE1-CG2 3.94Å; F282-I311 HydrophobicContact CG-CG2 4.27Å; F282-N346 VanDerWaalsContact CZ-O 3.32Å; F282-N346 WeakPolarHBondContact CZ-O 3.36Å; F282-T347 HydrophobicContact CZ-CG2 4.41Å
283	Y	94.2	Very high	83.3	Confident	9 Å²	9	32.4 Å²	32.4	4%	0.035	20%	0.195	C	C	.	.	S	Bend	trans	-50	-47.3	-173.5	-81.4	15.6	0	0	0	114.3	N198 L251 D278 N279 V280 V319	N198-Y283 HydrophobicContact CB-CD1 3.96Å; N198-Y283 HydrophobicContact CB-CE1 4.11Å; N198-Y283 PolarHBondContact OD1-N 3.23Å; L251-Y283 VanDerWaalsContact CD1-CB 3.47Å; L251-Y283 HydrophobicContact CD1-CD1 4.17Å; L251-Y283 HydrophobicContact CD1-CD2 3.93Å; L251-Y283 HydrophobicContact CD1-CG 3.6Å; L251-Y283 WeakPolarHBondContact CD1-O 3.21Å; D278-Y283 VanDerWaalsContact O-CE1 3.24Å; D278-Y283 WeakPolarHBondContact O-CE1 3.35Å; D278-Y283 PolarHBondContact O-OH 3.5Å; D278-Y283 VanDerWaalsContact O-OH 3.04Å; N279-Y283 WeakPolarHBondContact O-CD1 3.21Å; V280-Y283 HydrophobicContact CB-CD2 4.41Å; V280-Y283 HydrophobicContact CB-CE2 4.32Å; V280-Y283 HydrophobicContact CG1-CD2 4.39Å; V280-Y283 HydrophobicContact CG1-CE1 4.35Å; V280-Y283 HydrophobicContact CG1-CE2 3.82Å; Y283-V319 HydrophobicContact CD2-CB 3.98Å; Y283-V319 HydrophobicContact CD2-CG1 3.7Å; Y283-V319 HydrophobicContact CD2-CG2 4.47Å; Y283-V319 HydrophobicContact CE2-CG1 3.96Å
284	V	92.1	Very high	80.9	Confident	4 Å²	4	37.1 Å²	37.1	2%	0.024	22%	0.219	C	C	.	.	S	Bend	trans	-131.3	112.8	176.4	-171.3	0	0	0	0	108.8	L251 R252 F282 L313 E315 S316 V319	L251-V284 HydrophobicContact CB-CG2 4.06Å; R252-V284 HydrophobicContact CG-CG1 4.41Å; F282-V284 VanDerWaalsContact C-N 3.32Å; F282-V284 PolarHBondContact O-N 3.32Å; F282-V284 VanDerWaalsContact O-N 3.15Å; V284-L313 HydrophobicContact CG1-CD1 4.26Å; V284-L313 WeakPolarHBondContact O-CD1 3.33Å; V284-L313 WeakPolarHBondContact O-CG 2.94Å; V284-E315 HydrophobicContact CB-CB 3.96Å; V284-E315 HydrophobicContact CG1-CB 3.74Å; V284-E315 HydrophobicContact CG1-CG 4.49Å; V284-E315 HydrophobicContact CG2-CB 3.97Å; V284-S316 PolarHBondContact N-OG 2.79Å; V284-S316 PolarHBondContact O-OG 2.8Å; V284-V319 HydrophobicContact CG2-CG2 4.25Å
285	E	86.3	Confident	78.6	Confident	9 Å²	9	40.3 Å²	40.3	4%	0.042	24%	0.239	C	C	.	.			trans	-99.9	157.2	176	-66.9	-179.3	-90.8	0	0	111.7	Y239 V241 R252 S309 I311	Y239-E285 WeakPolarHBondContact CE1-OE1 3.4Å; Y239-E285 PolarHBondContact OH-OE1 2.92Å; V241-E285 WeakPolarHBondContact CB-OE1 3.2Å; V241-E285 WeakPolarHBondContact CG2-OE1 3.38Å; R252-E285 PolarHBondContact NH2-O 3.43Å; E285-S309 VanDerWaalsContact OE2-CA 3.27Å; E285-S309 WeakPolarHBondContact OE2-CA 3.25Å; E285-I311 HydrophobicContact CG-CG2 4.15Å
286	N	79.1	Confident	76.1	Confident	51 Å²	51	50.2 Å²	50.2	27%	0.273	28%	0.282	S	S	.	.			trans	-72.5	145.5	176	-173.1	-9.6	0	0	0	110.1	A288 P307 S308 Q310 L313	N286-A288 PolarHBondContact OD1-N 3.41Å; N286-P307 WeakPolarHBondContact CB-O 3.25Å; N286-S308 CarbonylContact O-C 3.5Å; N286-S308 VanDerWaalsContact O-C 3.24Å; N286-S308 WeakPolarHBondContact O-CA 3.34Å; N286-Q310 HydrophobicContact CB-CB 3.93Å; N286-Q310 PolarHBondContact N-O 2.59Å; N286-Q310 PolarHBondContact ND2-OE1 2.98Å; N286-L313 HydrophobicContact CB-CD1 4.25Å
287	S	68.2	Low	73.6	Confident	79 Å²	79	57.7 Å²	57.7	55%	0.552	32%	0.317	S	S	*	.			trans	-91.1	5.7	-177.4	57.6	0	0	0	0	114.4
288	A	64.2	Low	71.1	Confident	35 Å²	35	58 Å²	58	29%	0.289	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-60.1	145.2	-177.7	0	0	0	0	0	112.8	N286 P307 S308	N286-A288 PolarHBondContact OD1-N 3.41Å; A288-P307 HydrophobicContact CB-CB 3.8Å; A288-P307 HydrophobicContact CB-CG 3.92Å; A288-S308 WeakPolarHBondContact O-CA 3.11Å; A288-S308 WeakPolarHBondContact O-CB 3.2Å; A288-S308 PolarHBondContact O-N 3.39Å
289	K	64.6	Low	68.9	Low	151 Å²	151	59 Å²	59	66%	0.657	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-65.7	143	-177.8	-68.4	-176.2	179.5	-178	0	112.3	T291 P307	K289-T291 PolarHBondContact O-N 2.95Å; K289-P307 WeakPolarHBondContact O-CG 3.29Å
290	P	61.7	Low	66.8	Low	37 Å²	37	60.3 Å²	60.3	24%	0.24	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-62.7	133.5	172.3	25.7	-32.5	0	0	0	110.4	G220 Y306	G220-P290 WeakPolarHBondContact O-CD 3.37Å; P290-Y306 HydrophobicContact CB-CD1 3.86Å
291	T	60.3	Low	64.8	Low	119 Å²	119	65.6 Å²	65.6	73%	0.73	37%	0.367	S	S	*	.			trans	-95.1	-17.7	178.5	42.4	0	0	0	0	113.7	K289 E305	K289-T291 PolarHBondContact O-N 2.95Å; T291-E305 PolarHBondContact OG1-O 2.75Å
292	A	58.7	Low	63.2	Low	35 Å²	35	65.7 Å²	65.7	29%	0.289	37%	0.367	S	S	.	.	S	Bend	trans	-112.9	155.5	-176.2	0	0	0	0	0	112.8	E305 Y306	A292-E305 HydrophobicContact CB-CB 4.02Å; A292-Y306 HydrophobicContact CB-CE1 3.81Å; A292-Y306 HydrophobicContact CB-CE2 4.39Å; A292-Y306 WeakPolarHBondContact O-CE1 3.41Å
293	S	57	Low	61.7	Low	97 Å²	97	68.1 Å²	68.1	68%	0.678	38%	0.378	S	S	*	.			trans	-79.5	137	172	52.3	0	0	0	0	111.1	T295 Y306	S293-T295 PolarHBondContact O-N 3.27Å; S293-T295 VanDerWaalsContact O-N 3.14Å; S293-Y306 PolarHBondContact O-OH 3.43Å
294	I	49.2	Very low	60.2	Low	107 Å²	107	73.9 Å²	73.9	55%	0.549	41%	0.41	S	S	.	.			trans	-55.6	116.8	179.6	-59.1	168.6	0	0	0	110.5	I222 L298	I222-I294 HydrophobicContact CB-CG1 4.46Å; I222-I294 HydrophobicContact CG2-CD1 3.84Å; I222-I294 HydrophobicContact CG2-CG1 3.68Å; I294-L298 HydrophobicContact CG2-CD1 4.49Å
295	T	49.3	Very low	58.7	Low	67 Å²	67	76.4 Å²	76.4	41%	0.411	42%	0.421	S	S	.	.			trans	-113.9	149	167.5	59.9	0	0	0	0	110.4	S293 E297 L298	S293-T295 PolarHBondContact O-N 3.27Å; S293-T295 VanDerWaalsContact O-N 3.14Å; T295-E297 PolarHBondContact O-N 3.09Å; T295-E297 VanDerWaalsContact O-N 3.09Å; T295-L298 WeakPolarHBondContact O-CB 3.24Å; T295-L298 PolarHBondContact O-N 3.43Å
296	K	46.3	Very low	57.5	Low	208 Å²	208	76 Å²	76	90%	0.904	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-23.9	176.9	-95.8	-176.7	175.6	180	0	114.2	L298	K296-L298 PolarHBondContact O-N 2.88Å
297	E	47.4	Very low	56.4	Low	159 Å²	159	74.8 Å²	74.8	74%	0.743	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	24.9	-179.8	-65.6	178.8	169.6	0	0	113.2	T295 G299 S300	T295-E297 PolarHBondContact O-N 3.09Å; T295-E297 VanDerWaalsContact O-N 3.09Å; E297-G299 VanDerWaalsContact C-N 3.26Å; E297-G299 PolarHBondContact O-N 3.15Å; E297-G299 VanDerWaalsContact O-N 3.11Å; E297-S300 PolarHBondContact O-N 2.99Å; E297-S300 PolarHBondContact O-OG 3.43Å
298	L	47.3	Very low	55.8	Low	7 Å²	7	71 Å²	71	4%	0.037	39%	0.388	C	S	.	.	G	3₁₀ helix	trans	-50.2	-43.7	-168.2	-151.2	77.9	0	0	0	112.3	I222 S223 R224 I294 T295 K296 S300 K301 W302 Y306	I222-L298 HydrophobicContact CD1-CD1 3.97Å; I222-L298 HydrophobicContact CD1-CD2 4.04Å; I222-L298 HydrophobicContact CD1-CG 4.38Å; S223-L298 WeakPolarHBondContact O-CD2 3.38Å; R224-L298 WeakPolarHBondContact O-CD2 3.21Å; I294-L298 HydrophobicContact CG2-CD1 4.49Å; T295-L298 WeakPolarHBondContact O-CB 3.24Å; T295-L298 PolarHBondContact O-N 3.43Å; K296-L298 PolarHBondContact O-N 2.88Å; L298-S300 VanDerWaalsContact C-N 3.32Å; L298-S300 PolarHBondContact O-N 3.18Å; L298-S300 VanDerWaalsContact O-N 3.09Å; L298-K301 PolarHBondContact O-N 3.2Å; L298-K301 VanDerWaalsContact O-N 3.11Å; L298-W302 VanDerWaalsContact CD2-CD1 3.46Å; L298-W302 HydrophobicContact CD2-CG 4.3Å; L298-W302 HydrophobicContact CG-CB 4.23Å; L298-W302 HydrophobicContact CG-CG 4.28Å; L298-W302 WeakPolarHBondContact O-CA 3.24Å; L298-W302 WeakPolarHBondContact O-CB 3.49Å; L298-W302 PolarHBondContact O-N 2.73Å; L298-Y306 HydrophobicContact CD1-CE2 3.81Å
299	G	49.4	Very low	55.8	Low	39 Å²	39	69.4 Å²	69.4	40%	0.402	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-49.6	-45.1	-171.6	0	0	0	0	0	115	E297 K301 Y349	E297-G299 VanDerWaalsContact C-N 3.26Å; E297-G299 PolarHBondContact O-N 3.15Å; E297-G299 VanDerWaalsContact O-N 3.11Å; G299-K301 VanDerWaalsContact C-N 3.34Å; G299-K301 PolarHBondContact O-N 3.43Å; G299-Y349 WeakPolarHBondContact O-CE2 3.13Å; G299-Y349 PolarHBondContact O-OH 3.33Å
300	S	50.5	Low	56.1	Low	51 Å²	51	65.8 Å²	65.8	36%	0.357	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-75.1	-18.1	-173.5	69.2	0	0	0	0	115.4	E297 L298 Y349	E297-S300 PolarHBondContact O-N 2.99Å; E297-S300 PolarHBondContact O-OG 3.43Å; L298-S300 VanDerWaalsContact C-N 3.32Å; L298-S300 PolarHBondContact O-N 3.18Å; L298-S300 VanDerWaalsContact O-N 3.09Å; S300-Y349 WeakPolarHBondContact O-CE1 3.45Å; S300-Y349 PolarHBondContact O-OH 3.2Å
301	K	53.4	Low	57	Low	112 Å²	112	64.4 Å²	64.4	49%	0.487	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.8	-6.5	179.7	-55.7	-165.8	-172	173.6	0	114.8	L298 G299 F303 N304 E305 Y349	L298-K301 PolarHBondContact O-N 3.2Å; L298-K301 VanDerWaalsContact O-N 3.11Å; G299-K301 VanDerWaalsContact C-N 3.34Å; G299-K301 PolarHBondContact O-N 3.43Å; K301-F303 VanDerWaalsContact C-N 3.29Å; K301-F303 PolarHBondContact O-N 3.41Å; K301-N304 PolarHBondContact O-N 2.99Å; K301-E305 VanDerWaalsContact CB-CD 3.5Å; K301-E305 HydrophobicContact CB-CG 3.9Å; K301-E305 VanDerWaalsContact CD-CD 3.46Å; K301-E305 HydrophobicContact CD-CG 4.41Å; K301-E305 WeakPolarHBondContact CD-OE1 3.29Å; K301-E305 IonicContact NZ-OE1 2.81Å; K301-E305 PolarHBondContact NZ-OE1 2.82Å; K301-E305 WeakPolarHBondContact O-CB 3.45Å; K301-E305 PolarHBondContact O-N 2.84Å; K301-Y349 WeakPolarHBondContact CA-OH 3.47Å; K301-Y349 PolarHBondContact N-OH 2.87Å
302	W	57.7	Low	58.1	Low	2 Å²	2	60.5 Å²	60.5	1%	0.008	32%	0.322	C	S	.	.	H	α-helix	trans	-48	-47.8	-176.4	-175.4	70.7	0	0	0	112.9	R224 V241 F282 L298 N304 Y306 S309 I311 Y349	R224-W302 HydrophobicContact CB-CD2 4.49Å; R224-W302 HydrophobicContact CB-CH2 4.23Å; R224-W302 HydrophobicContact CB-CZ2 3.65Å; R224-W302 HydrophobicContact CG-CD2 4.23Å; R224-W302 HydrophobicContact CG-CE3 4.4Å; R224-W302 HydrophobicContact CG-CH2 4.31Å; R224-W302 HydrophobicContact CG-CZ2 4.08Å; R224-W302 HydrophobicContact CG-CZ3 4.46Å; V241-W302 HydrophobicContact CG2-CH2 4.14Å; V241-W302 HydrophobicContact CG2-CZ2 3.97Å; F282-W302 HydrophobicContact CD1-CH2 4.19Å; F282-W302 AromaticContact CE1-CH2 3.76Å; F282-W302 HydrophobicContact CE1-CH2 3.76Å; F282-W302 AromaticContact CE1-CZ3 3.92Å; F282-W302 HydrophobicContact CE1-CZ3 3.92Å; L298-W302 VanDerWaalsContact CD2-CD1 3.46Å; L298-W302 HydrophobicContact CD2-CG 4.3Å; L298-W302 HydrophobicContact CG-CB 4.23Å; L298-W302 HydrophobicContact CG-CG 4.28Å; L298-W302 WeakPolarHBondContact O-CA 3.24Å; L298-W302 WeakPolarHBondContact O-CB 3.49Å; L298-W302 PolarHBondContact O-N 2.73Å; W302-N304 VanDerWaalsContact C-N 3.35Å; W302-N304 PolarHBondContact O-N 2.88Å; W302-Y306 WeakPolarHBondContact O-CB 3.37Å; W302-Y306 VanDerWaalsContact O-CD2 3.27Å; W302-Y306 WeakPolarHBondContact O-CD2 3.19Å; W302-Y306 PolarHBondContact O-N 2.86Å; W302-S309 WeakPolarHBondContact CZ2-OG 3.44Å; W302-S309 PolarHBondContact NE1-OG 2.81Å; W302-I311 HydrophobicContact CH2-CG2 4.43Å; W302-Y349 PolarHBondContact N-OH 2.84Å
303	F	59.6	Low	59.5	Low	53 Å²	53	60.4 Å²	60.4	23%	0.232	32%	0.317	C	S	.	.	H	α-helix	trans	-68.5	-33.9	-176.9	-174.5	-105.2	0	0	0	113.1	K301 I311 Y349	K301-F303 VanDerWaalsContact C-N 3.29Å; K301-F303 PolarHBondContact O-N 3.41Å; F303-I311 HydrophobicContact CD2-CD1 4.1Å; F303-I311 HydrophobicContact CD2-CG1 3.61Å; F303-I311 HydrophobicContact CE2-CB 4.45Å; F303-I311 HydrophobicContact CE2-CD1 4.1Å; F303-I311 HydrophobicContact CE2-CG1 3.28Å; F303-I311 HydrophobicContact CZ-CG1 4.39Å; F303-Y349 HydrophobicContact CB-CD2 3.86Å; F303-Y349 HydrophobicContact CB-CE2 3.36Å; F303-Y349 HydrophobicContact CG-CE2 4.49Å; F303-Y349 PolarHBondContact N-OH 3.28Å
304	N	61.1	Low	61.1	Low	130 Å²	130	61.2 Å²	61.2	70%	0.695	31%	0.314	S	S	*	.	H	α-helix	trans	-89.1	-33	-176.4	-68.9	-35	0	0	0	113.5	K301 W302	K301-N304 PolarHBondContact O-N 2.99Å; W302-N304 VanDerWaalsContact C-N 3.35Å; W302-N304 PolarHBondContact O-N 2.88Å
305	E	61.1	Low	63.3	Low	57 Å²	57	60 Å²	60	27%	0.266	31%	0.305	S	S	.	.	H	α-helix	trans	-91.8	-12.6	-173.1	-72.7	-175.6	169.1	0	0	113.7	T291 A292 K301	T291-E305 PolarHBondContact OG1-O 2.75Å; A292-E305 HydrophobicContact CB-CB 4.02Å; K301-E305 VanDerWaalsContact CB-CD 3.5Å; K301-E305 HydrophobicContact CB-CG 3.9Å; K301-E305 VanDerWaalsContact CD-CD 3.46Å; K301-E305 HydrophobicContact CD-CG 4.41Å; K301-E305 WeakPolarHBondContact CD-OE1 3.29Å; K301-E305 IonicContact NZ-OE1 2.81Å; K301-E305 PolarHBondContact NZ-OE1 2.82Å; K301-E305 WeakPolarHBondContact O-CB 3.45Å; K301-E305 PolarHBondContact O-N 2.84Å
306	Y	61	Low	65.5	Low	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.286	C	S	.	.			trans	-129.4	89	-172.5	-55.3	-88.7	0	0	0	110.2	I222 P290 A292 S293 L298 W302 S308 S309	I222-Y306 HydrophobicContact CD1-CD1 3.14Å; I222-Y306 HydrophobicContact CD1-CD2 3.82Å; I222-Y306 HydrophobicContact CD1-CE1 3.37Å; I222-Y306 HydrophobicContact CD1-CE2 4.02Å; I222-Y306 HydrophobicContact CD1-CG 3.35Å; I222-Y306 HydrophobicContact CG1-CD1 3.82Å; I222-Y306 HydrophobicContact CG1-CE1 4.33Å; I222-Y306 HydrophobicContact CG1-CG 4.14Å; P290-Y306 HydrophobicContact CB-CD1 3.86Å; A292-Y306 HydrophobicContact CB-CE1 3.81Å; A292-Y306 HydrophobicContact CB-CE2 4.39Å; A292-Y306 WeakPolarHBondContact O-CE1 3.41Å; S293-Y306 PolarHBondContact O-OH 3.43Å; L298-Y306 HydrophobicContact CD1-CE2 3.81Å; W302-Y306 WeakPolarHBondContact O-CB 3.37Å; W302-Y306 VanDerWaalsContact O-CD2 3.27Å; W302-Y306 WeakPolarHBondContact O-CD2 3.19Å; W302-Y306 PolarHBondContact O-N 2.86Å; Y306-S308 PolarHBondContact O-N 2.85Å; Y306-S309 WeakPolarHBondContact O-CA 3.17Å; Y306-S309 VanDerWaalsContact O-CB 3.31Å; Y306-S309 WeakPolarHBondContact O-CB 3.29Å; Y306-S309 PolarHBondContact O-N 3.32Å
307	P	57	Low	67.9	Low	26 Å²	26	47.1 Å²	47.1	17%	0.169	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-65.7	-22.8	-176.5	27.8	-35.5	0	0	0	112.5	N286 A288 K289 S309 Q310	N286-P307 WeakPolarHBondContact CB-O 3.25Å; A288-P307 HydrophobicContact CB-CB 3.8Å; A288-P307 HydrophobicContact CB-CG 3.92Å; K289-P307 WeakPolarHBondContact O-CG 3.29Å; P307-S309 PolarHBondContact O-N 2.58Å; P307-S309 VanDerWaalsContact O-N 3.08Å; P307-Q310 WeakPolarHBondContact O-CB 3.25Å; P307-Q310 WeakPolarHBondContact O-CG 3.39Å; P307-Q310 PolarHBondContact O-N 2.64Å; P307-Q310 VanDerWaalsContact O-N 3.13Å
308	S	54.9	Low	70.3	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-56.2	-19.9	168.1	49	0	0	0	0	113.7	N286 A288 Y306	N286-S308 CarbonylContact O-C 3.5Å; N286-S308 VanDerWaalsContact O-C 3.24Å; N286-S308 WeakPolarHBondContact O-CA 3.34Å; A288-S308 WeakPolarHBondContact O-CA 3.11Å; A288-S308 WeakPolarHBondContact O-CB 3.2Å; A288-S308 PolarHBondContact O-N 3.39Å; Y306-S308 PolarHBondContact O-N 2.85Å
309	S	63.9	Low	72.7	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-111.7	16.7	-173.9	-65.3	0	0	0	0	112	E285 W302 Y306 P307 I311	E285-S309 VanDerWaalsContact OE2-CA 3.27Å; E285-S309 WeakPolarHBondContact OE2-CA 3.25Å; W302-S309 WeakPolarHBondContact CZ2-OG 3.44Å; W302-S309 PolarHBondContact NE1-OG 2.81Å; Y306-S309 WeakPolarHBondContact O-CA 3.17Å; Y306-S309 VanDerWaalsContact O-CB 3.31Å; Y306-S309 WeakPolarHBondContact O-CB 3.29Å; Y306-S309 PolarHBondContact O-N 3.32Å; P307-S309 PolarHBondContact O-N 2.58Å; P307-S309 VanDerWaalsContact O-N 3.08Å; S309-I311 PolarHBondContact O-N 2.84Å
310	Q	70.8	Confident	75.1	Confident	76 Å²	76	41.6 Å²	41.6	36%	0.355	21%	0.211	S	C	.	.			trans	-67.3	103.7	169	-76.8	174.3	-3.2	0	0	108.9	N286 P307	N286-Q310 HydrophobicContact CB-CB 3.93Å; N286-Q310 PolarHBondContact N-O 2.59Å; N286-Q310 PolarHBondContact ND2-OE1 2.98Å; P307-Q310 WeakPolarHBondContact O-CB 3.25Å; P307-Q310 WeakPolarHBondContact O-CG 3.39Å; P307-Q310 PolarHBondContact O-N 2.64Å; P307-Q310 VanDerWaalsContact O-N 3.13Å
311	I	80.9	Confident	77.4	Confident	7 Å²	7	40.9 Å²	40.9	4%	0.036	20%	0.2	C	C	.	.			trans	-81.3	177.8	168.8	52	169.8	0	0	0	111	A281 F282 E285 W302 F303 S309 T347	A281-I311 HydrophobicContact CB-CB 4.03Å; A281-I311 HydrophobicContact CB-CD1 3.88Å; A281-I311 HydrophobicContact CB-CG1 4.43Å; A281-I311 HydrophobicContact CB-CG2 4.48Å; A281-I311 WeakPolarHBondContact O-CA 3.3Å; A281-I311 WeakPolarHBondContact O-CB 3.48Å; A281-I311 WeakPolarHBondContact O-CG2 3.14Å; F282-I311 HydrophobicContact CD1-CG2 3.59Å; F282-I311 HydrophobicContact CE1-CG2 3.94Å; F282-I311 HydrophobicContact CG-CG2 4.27Å; E285-I311 HydrophobicContact CG-CG2 4.15Å; W302-I311 HydrophobicContact CH2-CG2 4.43Å; F303-I311 HydrophobicContact CD2-CD1 4.1Å; F303-I311 HydrophobicContact CD2-CG1 3.61Å; F303-I311 HydrophobicContact CE2-CB 4.45Å; F303-I311 HydrophobicContact CE2-CD1 4.1Å; F303-I311 HydrophobicContact CE2-CG1 3.28Å; F303-I311 HydrophobicContact CZ-CG1 4.39Å; S309-I311 PolarHBondContact O-N 2.84Å; I311-T347 HydrophobicContact CD1-CG2 3.39Å
312	Y	83.7	Confident	79.5	Confident	37 Å²	37	40.1 Å²	40.1	15%	0.145	19%	0.194	C	C	.	.			trans	67.4	38	-179	-61.3	-74.4	0	0	0	114.2	A281 A344 T347 L357 Q360 Y361	A281-Y312 HydrophobicContact CB-CD1 4.37Å; A281-Y312 HydrophobicContact CB-CE1 4.04Å; A281-Y312 HydrophobicContact CB-CE2 4.29Å; A281-Y312 PolarHBondContact O-N 2.89Å; Y312-A344 HydrophobicContact CE1-CB 3.94Å; Y312-A344 WeakPolarHBondContact OH-CB 3.34Å; Y312-T347 HydrophobicContact CE2-CG2 4.08Å; Y312-T347 WeakPolarHBondContact OH-CG2 3.35Å; Y312-L357 HydrophobicContact CD1-CB 4.28Å; Y312-L357 HydrophobicContact CD2-CB 4.45Å; Y312-L357 HydrophobicContact CD2-CD1 4.4Å; Y312-L357 HydrophobicContact CE1-CB 4.4Å; Y312-L357 HydrophobicContact CG-CB 4.31Å; Y312-Q360 PolarHBondContact O-NE2 2.78Å; Y312-Q360 PolarHBondContact O-OE1 2.93Å; Y312-Y361 AromaticContact CD1-CE2 3.62Å; Y312-Y361 HydrophobicContact CD1-CE2 3.62Å; Y312-Y361 AromaticContact CE1-CE2 3.8Å; Y312-Y361 HydrophobicContact CE1-CE2 3.8Å
313	L	89	Confident	81.5	Confident	33 Å²	33	40 Å²	40	17%	0.173	19%	0.194	C	C	.	.			trans	-78.8	154.2	174.5	-59.9	-170.7	0	0	0	112.9	V284 N286 E315 S316 V317	V284-L313 HydrophobicContact CG1-CD1 4.26Å; V284-L313 WeakPolarHBondContact O-CD1 3.33Å; V284-L313 WeakPolarHBondContact O-CG 2.94Å; N286-L313 HydrophobicContact CB-CD1 4.25Å; L313-E315 PolarHBondContact O-N 2.85Å; L313-S316 WeakPolarHBondContact O-CB 3.38Å; L313-S316 PolarHBondContact O-N 3.04Å; L313-V317 PolarHBondContact O-N 2.7Å
314	N	90.7	Very high	83.3	Confident	115 Å²	115	39.2 Å²	39.2	62%	0.615	19%	0.189	S	C	*	.	H	α-helix	trans	-60.6	-32.3	175.2	-79.2	-26.5	0	0	0	111.6	S316 V317 D318	N314-S316 VanDerWaalsContact C-N 3.3Å; N314-S316 PolarHBondContact O-N 3.09Å; N314-V317 CarbonylContact O-C 3.59Å; N314-V317 WeakPolarHBondContact O-CA 3.44Å; N314-V317 VanDerWaalsContact O-CB 3.24Å; N314-V317 WeakPolarHBondContact O-CB 3.5Å; N314-V317 PolarHBondContact O-N 3.46Å; N314-D318 PolarHBondContact O-N 2.82Å
315	E	94.1	Very high	85.1	Confident	80 Å²	80	38.9 Å²	38.9	37%	0.374	18%	0.182	S	C	.	.	H	α-helix	trans	-62.7	-35.5	175.4	-62	97.6	120.5	0	0	112	V284 L313 V317 D318 V319	V284-E315 HydrophobicContact CB-CB 3.96Å; V284-E315 HydrophobicContact CG1-CB 3.74Å; V284-E315 HydrophobicContact CG1-CG 4.49Å; V284-E315 HydrophobicContact CG2-CB 3.97Å; L313-E315 PolarHBondContact O-N 2.85Å; E315-V317 VanDerWaalsContact C-N 3.27Å; E315-V317 PolarHBondContact O-N 2.88Å; E315-D318 WeakPolarHBondContact O-CB 3.44Å; E315-D318 PolarHBondContact O-N 3.45Å; E315-D318 VanDerWaalsContact O-N 3.08Å; E315-V319 WeakPolarHBondContact O-CG2 3.37Å; E315-V319 PolarHBondContact O-N 3.32Å; E315-V319 VanDerWaalsContact O-N 3.11Å
316	S	95.8	Very high	86.9	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-62.4	-37.6	171.1	-58.1	0	0	0	0	111.1	V284 L313 N314 D318 V319 V320	V284-S316 PolarHBondContact N-OG 2.79Å; V284-S316 PolarHBondContact O-OG 2.8Å; L313-S316 WeakPolarHBondContact O-CB 3.38Å; L313-S316 PolarHBondContact O-N 3.04Å; N314-S316 VanDerWaalsContact C-N 3.3Å; N314-S316 PolarHBondContact O-N 3.09Å; S316-D318 VanDerWaalsContact C-N 3.3Å; S316-D318 PolarHBondContact O-N 3.5Å; S316-V319 WeakPolarHBondContact O-CB 3.49Å; S316-V319 PolarHBondContact O-N 2.78Å; S316-V320 PolarHBondContact O-N 2.93Å
317	V	97.3	Very high	88.7	Confident	6 Å²	6	36.4 Å²	36.4	4%	0.036	17%	0.17	C	C	.	.	H	α-helix	trans	-65	-34.7	173.6	-170.8	0	0	0	0	111	L313 N314 E315 V320 R321 Q360 Y361 A369	L313-V317 PolarHBondContact O-N 2.7Å; N314-V317 CarbonylContact O-C 3.59Å; N314-V317 WeakPolarHBondContact O-CA 3.44Å; N314-V317 VanDerWaalsContact O-CB 3.24Å; N314-V317 WeakPolarHBondContact O-CB 3.5Å; N314-V317 PolarHBondContact O-N 3.46Å; E315-V317 VanDerWaalsContact C-N 3.27Å; E315-V317 PolarHBondContact O-N 2.88Å; V317-V320 PolarHBondContact O-N 2.71Å; V317-R321 VanDerWaalsContact O-CB 3.3Å; V317-R321 WeakPolarHBondContact O-CB 3.36Å; V317-R321 PolarHBondContact O-N 3.45Å; V317-Q360 HydrophobicContact CG2-CG 3.91Å; V317-Y361 HydrophobicContact CB-CD1 4.43Å; V317-Y361 HydrophobicContact CG2-CD1 3.79Å; V317-Y361 HydrophobicContact CG2-CE1 3.94Å; V317-A369 HydrophobicContact CG1-CB 3.88Å
318	D	97.3	Very high	90.7	Very high	86 Å²	86	37.4 Å²	37.4	46%	0.46	17%	0.174	S	C	.	.	H	α-helix	trans	-64.8	-36.4	174.7	-75.2	-38.9	0	0	0	112.9	N314 E315 S316 R321 R322	N314-D318 PolarHBondContact O-N 2.82Å; E315-D318 WeakPolarHBondContact O-CB 3.44Å; E315-D318 PolarHBondContact O-N 3.45Å; E315-D318 VanDerWaalsContact O-N 3.08Å; S316-D318 VanDerWaalsContact C-N 3.3Å; S316-D318 PolarHBondContact O-N 3.5Å; D318-R321 PolarHBondContact O-N 2.87Å; D318-R321 IonicContact OD1-CZ 2.82Å; D318-R321 IonicContact OD1-NH1 2.65Å; D318-R321 PolarHBondContact OD1-NH1 2.85Å; D318-R322 PolarHBondContact O-N 3.08Å
319	V	98.5	Very high	92.8	Very high	3 Å²	3	42.1 Å²	42.1	2%	0.018	20%	0.196	C	C	.	.	H	α-helix	trans	-61.1	-50.3	171.6	-176.8	0	0	0	0	110.4	L251 L257 Y283 V284 E315 S316 R321 R322 I323	L251-V319 HydrophobicContact CB-CG2 3.92Å; L251-V319 HydrophobicContact CD1-CG1 4.35Å; L251-V319 HydrophobicContact CD1-CG2 4.19Å; L257-V319 HydrophobicContact CD2-CB 4.44Å; L257-V319 HydrophobicContact CD2-CG1 4.05Å; L257-V319 HydrophobicContact CD2-CG2 4.05Å; Y283-V319 HydrophobicContact CD2-CB 3.98Å; Y283-V319 HydrophobicContact CD2-CG1 3.7Å; Y283-V319 HydrophobicContact CD2-CG2 4.47Å; Y283-V319 HydrophobicContact CE2-CG1 3.96Å; V284-V319 HydrophobicContact CG2-CG2 4.25Å; E315-V319 WeakPolarHBondContact O-CG2 3.37Å; E315-V319 PolarHBondContact O-N 3.32Å; E315-V319 VanDerWaalsContact O-N 3.11Å; S316-V319 WeakPolarHBondContact O-CB 3.49Å; S316-V319 PolarHBondContact O-N 2.78Å; V319-R321 VanDerWaalsContact C-N 3.27Å; V319-R321 PolarHBondContact O-N 3.2Å; V319-R322 WeakPolarHBondContact O-CB 3.4Å; V319-R322 PolarHBondContact O-N 3.47Å; V319-R322 VanDerWaalsContact O-N 3.09Å; V319-I323 HydrophobicContact CG1-CD1 4.26Å; V319-I323 PolarHBondContact O-N 3.4Å; V319-I323 VanDerWaalsContact O-N 3.14Å
320	V	98.8	Very high	94.4	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-59	-41.2	177.2	178.9	0	0	0	0	110.7	L277 V280 S316 V317 R322 I323 R324 L340 V342 Y361 A369 A370	L277-V320 HydrophobicContact CD1-CB 4.48Å; L277-V320 HydrophobicContact CD1-CG1 4.34Å; L277-V320 HydrophobicContact CD1-CG2 4.13Å; V280-V320 HydrophobicContact CB-CG2 4.46Å; V280-V320 HydrophobicContact CG1-CG2 4.18Å; S316-V320 PolarHBondContact O-N 2.93Å; V317-V320 PolarHBondContact O-N 2.71Å; V320-R322 VanDerWaalsContact C-N 3.35Å; V320-R322 PolarHBondContact O-N 3Å; V320-I323 PolarHBondContact O-N 2.88Å; V320-R324 WeakPolarHBondContact O-CB 3.45Å; V320-R324 PolarHBondContact O-N 3.13Å; V320-L340 HydrophobicContact CG1-CD2 4.1Å; V320-V342 HydrophobicContact CG1-CG1 3.73Å; V320-V342 HydrophobicContact CG2-CG1 4.04Å; V320-Y361 HydrophobicContact CG2-CD1 4.01Å; V320-A369 HydrophobicContact CB-CB 4.29Å; V320-A369 HydrophobicContact CG1-CB 3.9Å; V320-A370 HydrophobicContact CG1-CB 4.03Å
321	R	98.2	Very high	95.8	Very high	36 Å²	36	40.1 Å²	40.1	14%	0.136	19%	0.191	C	C	.	.	H	α-helix	trans	-65.2	-34.6	176.7	-178.4	-179	-68.2	100.6	6.2	112.8	V317 D318 V319 R324 K325 S367 A369	V317-R321 VanDerWaalsContact O-CB 3.3Å; V317-R321 WeakPolarHBondContact O-CB 3.36Å; V317-R321 PolarHBondContact O-N 3.45Å; D318-R321 PolarHBondContact O-N 2.87Å; D318-R321 IonicContact OD1-CZ 2.82Å; D318-R321 IonicContact OD1-NH1 2.65Å; D318-R321 PolarHBondContact OD1-NH1 2.85Å; V319-R321 VanDerWaalsContact C-N 3.27Å; V319-R321 PolarHBondContact O-N 3.2Å; R321-R324 WeakPolarHBondContact O-CB 3.46Å; R321-R324 PolarHBondContact O-N 3.18Å; R321-K325 PolarHBondContact O-N 2.98Å; R321-S367 WeakPolarHBondContact CD-OG 3.41Å; R321-S367 PolarHBondContact NE-O 2.87Å; R321-S367 PolarHBondContact NE-OG 2.95Å; R321-S367 PolarHBondContact NH2-O 2.73Å; R321-A369 HydrophobicContact CB-CB 4.29Å
322	R	98.3	Very high	96.6	Very high	96 Å²	96	47.1 Å²	47.1	36%	0.362	22%	0.223	S	C	.	.	H	α-helix	trans	-62.7	-47.3	173.9	-177.8	62.7	168.4	168.9	-5.8	110.3	L257 D258 D318 V319 V320 R324 K325	L257-R322 HydrophobicContact CB-CG 4.38Å; D258-R322 IonicContact OD1-CZ 3.9Å; D258-R322 IonicContact OD1-NH2 3.67Å; D258-R322 PolarHBondContact OD1-NH2 3.45Å; D318-R322 PolarHBondContact O-N 3.08Å; V319-R322 WeakPolarHBondContact O-CB 3.4Å; V319-R322 PolarHBondContact O-N 3.47Å; V319-R322 VanDerWaalsContact O-N 3.09Å; V320-R322 VanDerWaalsContact C-N 3.35Å; V320-R322 PolarHBondContact O-N 3Å; R322-R324 VanDerWaalsContact C-N 3.34Å; R322-R324 PolarHBondContact O-N 3.49Å; R322-K325 WeakPolarHBondContact O-CB 3.35Å; R322-K325 PolarHBondContact O-N 2.84Å
323	I	98.8	Very high	97.3	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-66.7	-37	177.8	-62.2	162.7	0	0	0	110.9	F197 I260 A264 L277 V319 V320 K325 V326 V327 L340	F197-I323 HydrophobicContact CD2-CD1 4.11Å; F197-I323 HydrophobicContact CE2-CD1 4.25Å; I260-I323 HydrophobicContact CG2-CD1 3.76Å; I260-I323 HydrophobicContact CG2-CG1 3.95Å; A264-I323 HydrophobicContact CB-CG2 4.22Å; L277-I323 HydrophobicContact CD1-CB 4.35Å; L277-I323 HydrophobicContact CD1-CD1 3.51Å; L277-I323 HydrophobicContact CD1-CG2 4.31Å; L277-I323 HydrophobicContact CD2-CD1 3.81Å; L277-I323 HydrophobicContact CG-CD1 4.32Å; V319-I323 HydrophobicContact CG1-CD1 4.26Å; V319-I323 PolarHBondContact O-N 3.4Å; V319-I323 VanDerWaalsContact O-N 3.14Å; V320-I323 PolarHBondContact O-N 2.88Å; I323-K325 PolarHBondContact O-N 2.61Å; I323-V326 WeakPolarHBondContact O-CB 3.19Å; I323-V326 PolarHBondContact O-N 3.05Å; I323-V327 HydrophobicContact CG2-CG2 4.33Å; I323-V327 WeakPolarHBondContact O-CG2 3.42Å; I323-V327 PolarHBondContact O-N 3.16Å; I323-L340 HydrophobicContact CG2-CD1 3.92Å; I323-L340 HydrophobicContact CG2-CD2 4.31Å
324	R	98.7	Very high	97.6	Very high	36 Å²	36	50.9 Å²	50.9	14%	0.136	26%	0.258	C	S	.	.	H	α-helix	trans	-53.5	-40.6	173.2	175.3	55.5	166.6	160.9	-14.4	112.6	V320 R321 R322 V326 V327 N328 L340 A369 H371	V320-R324 WeakPolarHBondContact O-CB 3.45Å; V320-R324 PolarHBondContact O-N 3.13Å; R321-R324 WeakPolarHBondContact O-CB 3.46Å; R321-R324 PolarHBondContact O-N 3.18Å; R322-R324 VanDerWaalsContact C-N 3.34Å; R322-R324 PolarHBondContact O-N 3.49Å; R324-V326 VanDerWaalsContact C-N 3.35Å; R324-V326 PolarHBondContact O-N 2.94Å; R324-V327 PolarHBondContact O-N 3.11Å; R324-N328 PolarHBondContact NE-OD1 3.02Å; R324-N328 PolarHBondContact NH1-OD1 3.31Å; R324-N328 VanDerWaalsContact O-CG 3.29Å; R324-N328 PolarHBondContact O-N 3.28Å; R324-N328 PolarHBondContact O-OD1 3.35Å; R324-L340 HydrophobicContact CB-CD2 3.75Å; R324-A369 WeakPolarHBondContact CB-O 3.42Å; R324-A369 WeakPolarHBondContact CD-O 3.3Å; R324-A369 WeakPolarHBondContact CG-O 3.41Å; R324-A369 PolarHBondContact NE-O 2.81Å; R324-H371 VanDerWaalsContact CZ-CE1 3.41Å; R324-H371 PolarHBondContact NH1-CE1 3.36Å; R324-H371 PolarHBondContact NH1-NE2 3.14Å; R324-H371 PolarHBondContact NH2-CD2 3.24Å; R324-H371 PolarHBondContact NH2-NE2 3.28Å
325	K	98.6	Very high	97.9	Very high	122 Å²	122	48.7 Å²	48.7	53%	0.53	26%	0.262	S	S	.	.	H	α-helix	trans	-62.8	-41.7	177.1	-68.6	171.9	-178.8	176	0	111.8	R321 R322 I323 N328 E329	R321-K325 PolarHBondContact O-N 2.98Å; R322-K325 WeakPolarHBondContact O-CB 3.35Å; R322-K325 PolarHBondContact O-N 2.84Å; I323-K325 PolarHBondContact O-N 2.61Å; K325-N328 PolarHBondContact O-N 3.02Å; K325-E329 WeakPolarHBondContact O-CB 3.4Å; K325-E329 PolarHBondContact O-N 3.02Å
326	V	98.8	Very high	97.9	Very high	5 Å²	5	50.8 Å²	50.8	3%	0.03	27%	0.27	C	S	.	.	H	α-helix	trans	-63.5	-45.3	175.5	-177.7	0	0	0	0	110.8	A264 R265 L268 I323 R324 N328 E329 V330	A264-V326 HydrophobicContact CB-CG1 4.32Å; R265-V326 HydrophobicContact CB-CG1 3.74Å; R265-V326 HydrophobicContact CG-CG1 4.42Å; L268-V326 HydrophobicContact CD1-CG1 4.3Å; I323-V326 WeakPolarHBondContact O-CB 3.19Å; I323-V326 PolarHBondContact O-N 3.05Å; R324-V326 VanDerWaalsContact C-N 3.35Å; R324-V326 PolarHBondContact O-N 2.94Å; V326-N328 VanDerWaalsContact C-N 3.3Å; V326-N328 PolarHBondContact O-N 3.06Å; V326-E329 WeakPolarHBondContact O-CB 3.5Å; V326-E329 PolarHBondContact O-N 2.82Å; V326-V330 WeakPolarHBondContact O-CG2 3.37Å; V326-V330 PolarHBondContact O-N 2.83Å
327	V	98.9	Very high	98	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-60.3	-40.9	177.6	173.5	0	0	0	0	111.1	L268 I275 I323 R324 S331 K338 L340	L268-V327 HydrophobicContact CD1-CG2 4.01Å; I275-V327 HydrophobicContact CD1-CG2 4.49Å; I323-V327 HydrophobicContact CG2-CG2 4.33Å; I323-V327 WeakPolarHBondContact O-CG2 3.42Å; I323-V327 PolarHBondContact O-N 3.16Å; R324-V327 PolarHBondContact O-N 3.11Å; V327-S331 WeakPolarHBondContact O-CB 3.35Å; V327-S331 PolarHBondContact O-N 3Å; V327-K338 HydrophobicContact CG1-CB 3.67Å; V327-K338 WeakPolarHBondContact CG1-O 3.43Å; V327-L340 HydrophobicContact CG1-CB 4.26Å; V327-L340 HydrophobicContact CG2-CB 4.18Å; V327-L340 HydrophobicContact CG2-CD1 4.37Å
328	N	98.7	Very high	98.1	Very high	48 Å²	48	54.2 Å²	54.2	26%	0.257	29%	0.291	S	S	.	.	H	α-helix	trans	-63.7	-49.4	175.1	-72	-6.1	0	0	0	112	R324 K325 V326 V330 S331 E332	R324-N328 PolarHBondContact NE-OD1 3.02Å; R324-N328 PolarHBondContact NH1-OD1 3.31Å; R324-N328 VanDerWaalsContact O-CG 3.29Å; R324-N328 PolarHBondContact O-N 3.28Å; R324-N328 PolarHBondContact O-OD1 3.35Å; K325-N328 PolarHBondContact O-N 3.02Å; V326-N328 VanDerWaalsContact C-N 3.3Å; V326-N328 PolarHBondContact O-N 3.06Å; N328-V330 VanDerWaalsContact C-N 3.32Å; N328-V330 PolarHBondContact O-N 3.03Å; N328-S331 WeakPolarHBondContact O-CB 3.3Å; N328-S331 PolarHBondContact O-N 3.28Å; N328-S331 VanDerWaalsContact O-N 3.12Å; N328-E332 WeakPolarHBondContact O-CB 3.34Å; N328-E332 WeakPolarHBondContact O-CG 3.35Å; N328-E332 PolarHBondContact O-N 3.35Å
329	E	98.6	Very high	98.2	Very high	98 Å²	98	50.3 Å²	50.3	46%	0.458	27%	0.27	S	S	.	.	H	α-helix	trans	-54.8	-47.4	179.3	-176	-166.1	159.8	0	0	111.5	R265 K325 V326 S333	R265-E329 IonicContact CZ-OE2 3.54Å; R265-E329 IonicContact NE-OE1 3.81Å; R265-E329 IonicContact NE-OE2 3.47Å; R265-E329 IonicContact NH2-OE1 3.51Å; R265-E329 IonicContact NH2-OE2 2.7Å; R265-E329 PolarHBondContact NH2-OE2 3.23Å; K325-E329 WeakPolarHBondContact O-CB 3.4Å; K325-E329 PolarHBondContact O-N 3.02Å; V326-E329 WeakPolarHBondContact O-CB 3.5Å; V326-E329 PolarHBondContact O-N 2.82Å; E329-S333 WeakPolarHBondContact O-CB 3.49Å; E329-S333 PolarHBondContact O-N 3.34Å; E329-S333 PolarHBondContact O-OG 3.04Å
330	V	98.7	Very high	98.2	Very high	7 Å²	7	50.2 Å²	50.2	4%	0.042	27%	0.27	C	S	.	.	H	α-helix	trans	-71.7	-36.3	178.3	-177.1	0	0	0	0	111.5	R265 L268 V326 N328 E332 S333 S334	R265-V330 HydrophobicContact CG-CG2 4.38Å; L268-V330 HydrophobicContact CB-CB 4.29Å; L268-V330 HydrophobicContact CB-CG1 3.9Å; L268-V330 HydrophobicContact CB-CG2 4.19Å; L268-V330 HydrophobicContact CD1-CB 4.23Å; L268-V330 HydrophobicContact CD1-CG2 4.09Å; V326-V330 WeakPolarHBondContact O-CG2 3.37Å; V326-V330 PolarHBondContact O-N 2.83Å; N328-V330 VanDerWaalsContact C-N 3.32Å; N328-V330 PolarHBondContact O-N 3.03Å; V330-E332 PolarHBondContact O-N 3.27Å; V330-S333 WeakPolarHBondContact CA-OG 3.37Å; V330-S333 PolarHBondContact O-OG 2.96Å; V330-S334 VanDerWaalsContact O-CB 3.24Å; V330-S334 WeakPolarHBondContact O-CB 3.49Å; V330-S334 PolarHBondContact O-N 3.24Å; V330-S334 PolarHBondContact O-OG 2.78Å
331	S	98.5	Very high	98.2	Very high	28 Å²	28	50.7 Å²	50.7	20%	0.196	27%	0.273	C	S	.	.	H	α-helix	trans	-62.5	-42.1	175.9	-174.3	0	0	0	0	112.3	V327 N328 G335 K336 P337 K338	V327-S331 WeakPolarHBondContact O-CB 3.35Å; V327-S331 PolarHBondContact O-N 3Å; N328-S331 WeakPolarHBondContact O-CB 3.3Å; N328-S331 PolarHBondContact O-N 3.28Å; N328-S331 VanDerWaalsContact O-N 3.12Å; S331-G335 PolarHBondContact O-N 2.7Å; S331-K336 WeakPolarHBondContact CA-O 3.33Å; S331-K336 PolarHBondContact O-N 2.95Å; S331-K336 PolarHBondContact OG-O 2.84Å; S331-P337 WeakPolarHBondContact OG-CA 3.46Å; S331-K338 PolarHBondContact OG-N 2.73Å
332	E	98.1	Very high	98.2	Very high	153 Å²	153	49 Å²	49	72%	0.715	27%	0.267	S	S	*	.	H	α-helix	trans	-70.8	-48.8	179.4	-73.1	171.5	-164.9	0	0	111.2	N328 V330 S334 G335	N328-E332 WeakPolarHBondContact O-CB 3.34Å; N328-E332 WeakPolarHBondContact O-CG 3.35Å; N328-E332 PolarHBondContact O-N 3.35Å; V330-E332 PolarHBondContact O-N 3.27Å; E332-S334 PolarHBondContact O-N 2.95Å; E332-G335 PolarHBondContact O-N 3.31Å
333	S	98	Very high	98.2	Very high	96 Å²	96	44.4 Å²	44.4	67%	0.671	25%	0.25	S	C	*	.	H	α-helix	trans	-66.2	-33.9	-178.9	56.7	0	0	0	0	113.5	E329 V330	E329-S333 WeakPolarHBondContact O-CB 3.49Å; E329-S333 PolarHBondContact O-N 3.34Å; E329-S333 PolarHBondContact O-OG 3.04Å; V330-S333 WeakPolarHBondContact CA-OG 3.37Å; V330-S333 PolarHBondContact O-OG 2.96Å
334	S	96.6	Very high	97.9	Very high	54 Å²	54	44.4 Å²	44.4	38%	0.378	25%	0.25	S	C	.	.	H	α-helix	trans	-84.2	-14.6	176.6	67.5	0	0	0	0	114.1	V330 E332 K336	V330-S334 VanDerWaalsContact O-CB 3.24Å; V330-S334 WeakPolarHBondContact O-CB 3.49Å; V330-S334 PolarHBondContact O-N 3.24Å; V330-S334 PolarHBondContact O-OG 2.78Å; E332-S334 PolarHBondContact O-N 2.95Å; S334-K336 PolarHBondContact O-N 2.97Å; S334-K336 PolarHBondContact OG-N 3.25Å
335	G	96.1	Very high	97.4	Very high	68 Å²	68	42.7 Å²	42.7	70%	0.701	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.8	15.6	-172.3	0	0	0	0	0	114.1	S331 E332	S331-G335 PolarHBondContact O-N 2.7Å; E332-G335 PolarHBondContact O-N 3.31Å
336	K	95.7	Very high	96.8	Very high	124 Å²	124	37.2 Å²	37.2	54%	0.539	22%	0.22	S	C	.	.	S	Bend	trans	-122	130.4	-179.1	-66.5	-178.8	-178.6	-179.4	0	109.9	S331 S334 K338	S331-K336 WeakPolarHBondContact CA-O 3.33Å; S331-K336 PolarHBondContact O-N 2.95Å; S331-K336 PolarHBondContact OG-O 2.84Å; S334-K336 PolarHBondContact O-N 2.97Å; S334-K336 PolarHBondContact OG-N 3.25Å; K336-K338 PolarHBondContact O-N 2.74Å
337	P	97.6	Very high	95.9	Very high	67 Å²	67	37.3 Å²	37.3	44%	0.435	22%	0.22	S	C	.	.			trans	-62	130.6	-179.9	26.2	-33.8	0	0	0	111.2	W98 S331	W98-P337 HydrophobicContact CH2-CB 4.34Å; W98-P337 HydrophobicContact CZ3-CB 4.21Å; S331-P337 WeakPolarHBondContact OG-CA 3.46Å
338	K	98.7	Very high	94.8	Very high	11 Å²	11	37.5 Å²	37.5	5%	0.048	22%	0.222	C	C	.	.			trans	-109.2	135.4	176.8	-61.8	-63	-177.7	177.1	0	112.9	L268 I272 D273 V327 S331 K336 H371	L268-K338 HydrophobicContact CD2-CB 4.31Å; L268-K338 HydrophobicContact CD2-CD 4.12Å; L268-K338 HydrophobicContact CD2-CG 4.23Å; I272-K338 PolarHBondContact O-NZ 3.09Å; D273-K338 CarbonylContact O-C 3.58Å; D273-K338 VanDerWaalsContact O-CA 3.28Å; D273-K338 WeakPolarHBondContact O-CA 3.41Å; D273-K338 IonicContact OD1-NZ 2.99Å; D273-K338 PolarHBondContact OD1-NZ 3.48Å; V327-K338 HydrophobicContact CG1-CB 3.67Å; V327-K338 WeakPolarHBondContact CG1-O 3.43Å; S331-K338 PolarHBondContact OG-N 2.73Å; K336-K338 PolarHBondContact O-N 2.74Å; K338-H371 PolarHBondContact O-CE1 2.86Å
339	L	98.8	Very high	93.7	Very high	5 Å²	5	36.4 Å²	36.4	3%	0.026	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.2	121.8	167.3	161.5	143.2	0	0	0	115.1	F97 W98 V192 D273 G274 I275 A341 H371 V372	F97-L339 HydrophobicContact CE2-CD2 4.2Å; F97-L339 HydrophobicContact CZ-CB 4.24Å; F97-L339 HydrophobicContact CZ-CD2 3.99Å; W98-L339 HydrophobicContact CB-CD1 4.34Å; W98-L339 HydrophobicContact CB-CD2 4.09Å; W98-L339 HydrophobicContact CD2-CB 3.77Å; W98-L339 HydrophobicContact CD2-CD1 3.75Å; W98-L339 HydrophobicContact CD2-CD2 4.36Å; W98-L339 HydrophobicContact CD2-CG 4.17Å; W98-L339 HydrophobicContact CE3-CB 3.37Å; W98-L339 HydrophobicContact CE3-CD1 4.25Å; W98-L339 HydrophobicContact CE3-CD2 4.32Å; W98-L339 HydrophobicContact CE3-CG 4.18Å; W98-L339 HydrophobicContact CG-CD1 3.79Å; W98-L339 HydrophobicContact CG-CD2 4.31Å; W98-L339 HydrophobicContact CG-CG 4.43Å; W98-L339 HydrophobicContact CH2-CB 3.85Å; W98-L339 HydrophobicContact CZ2-CB 4.22Å; W98-L339 HydrophobicContact CZ2-CD1 4.5Å; W98-L339 HydrophobicContact CZ3-CB 3.41Å; W98-L339 VanDerWaalsContact CZ3-CB 3.41Å; V192-L339 HydrophobicContact CG1-CD2 4.43Å; V192-L339 HydrophobicContact CG2-CD2 3.76Å; D273-L339 PolarHBondContact O-N 2.97Å; G274-L339 CarbonylContact C-O 3.57Å; G274-L339 WeakPolarHBondContact CA-O 3.19Å; I275-L339 PolarHBondContact N-O 3.49Å; L339-A341 HydrophobicContact CD1-CB 4.13Å; L339-A341 HydrophobicContact CG-CB 4.3Å; L339-H371 HydrophobicContact CD1-CB 4.08Å; L339-V372 HydrophobicContact CD1-CB 4.01Å; L339-V372 HydrophobicContact CD1-CG2 3.63Å
340	L	98.9	Very high	92.9	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	107.6	148.2	-174.4	61	0	0	0	108.8	I275 L277 V320 I323 R324 V327 H371 V372	I275-L340 HydrophobicContact CB-CD1 4.18Å; I275-L340 HydrophobicContact CG2-CD1 4.4Å; I275-L340 WeakPolarHBondContact O-CA 3.33Å; L277-L340 HydrophobicContact CD1-CD1 3.88Å; L277-L340 HydrophobicContact CG-CD1 3.89Å; V320-L340 HydrophobicContact CG1-CD2 4.1Å; I323-L340 HydrophobicContact CG2-CD1 3.92Å; I323-L340 HydrophobicContact CG2-CD2 4.31Å; R324-L340 HydrophobicContact CB-CD2 3.75Å; V327-L340 HydrophobicContact CG1-CB 4.26Å; V327-L340 HydrophobicContact CG2-CB 4.18Å; V327-L340 HydrophobicContact CG2-CD1 4.37Å; L340-H371 PolarHBondContact N-CE1 2.99Å; L340-H371 PolarHBondContact N-ND1 3.19Å; L340-H371 WeakPolarHBondContact O-CB 3.34Å; L340-H371 PolarHBondContact O-N 2.89Å; L340-H371 PolarHBondContact O-ND1 3.03Å; L340-V372 PolarHBondContact O-N 3.39Å
341	A	98.9	Very high	92.3	Very high	10 Å²	10	32.6 Å²	32.6	8%	0.083	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	159.6	171.7	0	0	0	0	0	109.8	I275 L276 L277 L339 V372	I275-A341 PolarHBondContact O-N 2.83Å; L276-A341 CarbonylContact C-O 3.48Å; L276-A341 WeakPolarHBondContact CA-O 3.26Å; L276-A341 HydrophobicContact CB-CB 4.46Å; L276-A341 HydrophobicContact CD1-CB 3.72Å; L277-A341 PolarHBondContact N-O 3.3Å; L339-A341 HydrophobicContact CD1-CB 4.13Å; L339-A341 HydrophobicContact CG-CB 4.3Å; A341-V372 CarbonylContact C-O 3.37Å; A341-V372 WeakPolarHBondContact CA-O 3.42Å; A341-V372 HydrophobicContact CB-CB 4.34Å
342	V	98.7	Very high	91.3	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	144.9	173.9	-58.7	0	0	0	0	110.4	L277 V280 V320 Y361 A370 V372 V373 V374	L277-V342 HydrophobicContact CB-CG1 4.15Å; L277-V342 HydrophobicContact CD1-CG1 4.3Å; L277-V342 CarbonylContact O-C 3.47Å; L277-V342 VanDerWaalsContact O-CA 3.3Å; L277-V342 WeakPolarHBondContact O-CA 3.5Å; V280-V342 HydrophobicContact CG1-CB 4Å; V280-V342 HydrophobicContact CG1-CG1 4.09Å; V280-V342 HydrophobicContact CG2-CB 3.99Å; V280-V342 HydrophobicContact CG2-CG2 4.42Å; V320-V342 HydrophobicContact CG1-CG1 3.73Å; V320-V342 HydrophobicContact CG2-CG1 4.04Å; V342-Y361 HydrophobicContact CG2-CD2 4.46Å; V342-Y361 HydrophobicContact CG2-CG 4.28Å; V342-A370 HydrophobicContact CB-CB 4.37Å; V342-A370 HydrophobicContact CG1-CB 3.62Å; V342-A370 HydrophobicContact CG2-CB 3.86Å; V342-V372 PolarHBondContact N-O 3.13Å; V342-V373 HydrophobicContact CG2-CB 4.09Å; V342-V373 HydrophobicContact CG2-CG1 4.1Å; V342-V373 HydrophobicContact CG2-CG2 3.61Å; V342-V373 CarbonylContact O-C 3.19Å; V342-V373 WeakPolarHBondContact O-CA 3.37Å; V342-V374 PolarHBondContact O-N 2.88Å
343	D	97.1	Very high	90.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	20%	0.195	C	C	.	.			trans	-117.8	127.4	164.2	-171.5	-15.2	0	0	0	107.8	L276 L277 D278 N279 V280 G345 V374 R376	L276-D343 HydrophobicContact CD1-CB 4.21Å; L277-D343 PolarHBondContact O-N 2.7Å; D278-D343 CarbonylContact C-O 3.18Å; N279-D343 PolarHBondContact N-O 3.14Å; N279-D343 VanDerWaalsContact N-O 3.14Å; V280-D343 WeakPolarHBondContact CG2-O 3.34Å; V280-D343 PolarHBondContact N-O 3Å; V280-D343 VanDerWaalsContact N-O 3.16Å; D343-G345 PolarHBondContact O-N 2.8Å; D343-G345 VanDerWaalsContact O-N 3.12Å; D343-G345 PolarHBondContact OD1-N 2.8Å; D343-V374 HydrophobicContact CB-CB 4Å; D343-V374 HydrophobicContact CB-CG2 4.11Å; D343-R376 IonicContact OD1-CZ 2.63Å; D343-R376 VanDerWaalsContact OD1-CZ 3.27Å; D343-R376 IonicContact OD1-NH1 3.74Å; D343-R376 PolarHBondContact OD1-NH1 2.96Å; D343-R376 IonicContact OD1-NH2 3.79Å; D343-R376 PolarHBondContact OD1-NH2 3.31Å; D343-R376 IonicContact OD2-NH2 3.7Å
344	A	93	Very high	88.8	Confident	0 Å²	0	34 Å²	34	0%	0	20%	0.197	C	C	.	.			trans	-59.4	-20.4	175.1	0	0	0	0	0	112.7	A281 Y312	A281-A344 HydrophobicContact CB-CB 4.23Å; A281-A344 WeakPolarHBondContact CB-O 3.09Å; A281-A344 PolarHBondContact N-O 3.24Å; Y312-A344 HydrophobicContact CE1-CB 3.94Å; Y312-A344 WeakPolarHBondContact OH-CB 3.34Å
345	G	89.4	Confident	87.9	Confident	0 Å²	0	37 Å²	37	0%	0	21%	0.205	C	C	.	.			trans	78.8	-179.7	-175.6	0	0	0	0	0	112.5	N279 D343 T347 R376	N279-G345 WeakPolarHBondContact OD1-CA 3.4Å; D343-G345 PolarHBondContact O-N 2.8Å; D343-G345 VanDerWaalsContact O-N 3.12Å; D343-G345 PolarHBondContact OD1-N 2.8Å; G345-T347 PolarHBondContact O-N 3.29Å; G345-R376 PolarHBondContact O-NH2 3.28Å
346	N	84.3	Confident	87.4	Confident	7 Å²	7	34.3 Å²	34.3	4%	0.037	18%	0.175	C	C	.	.			trans	-74.2	93.5	-179.9	-174.8	8.7	0	0	0	110.5	R224 F282 G348 T420 E475	R224-N346 PolarHBondContact NE-O 3.45Å; R224-N346 VanDerWaalsContact NE-O 3.16Å; R224-N346 PolarHBondContact NH1-O 3.14Å; R224-N346 PolarHBondContact NH2-ND2 3Å; R224-N346 PolarHBondContact NH2-O 3.38Å; F282-N346 VanDerWaalsContact CZ-O 3.32Å; F282-N346 WeakPolarHBondContact CZ-O 3.36Å; N346-G348 PolarHBondContact O-N 3.11Å; N346-G348 PolarHBondContact OD1-N 3.34Å; N346-T420 HydrophobicContact CB-CG2 3.82Å; N346-E475 PolarHBondContact ND2-OE2 3.28Å
347	T	80.8	Confident	86.9	Confident	7 Å²	7	31.9 Å²	31.9	4%	0.043	17%	0.167	C	C	.	.			trans	-77.1	-10.6	175.5	72	0	0	0	0	113.2	A281 F282 I311 Y312 G345 Y349	A281-T347 HydrophobicContact CB-CG2 3.92Å; F282-T347 HydrophobicContact CZ-CG2 4.41Å; I311-T347 HydrophobicContact CD1-CG2 3.39Å; Y312-T347 HydrophobicContact CE2-CG2 4.08Å; Y312-T347 WeakPolarHBondContact OH-CG2 3.35Å; G345-T347 PolarHBondContact O-N 3.29Å; T347-Y349 WeakPolarHBondContact O-CD2 3.3Å; T347-Y349 PolarHBondContact O-N 3.42Å; T347-Y349 PolarHBondContact OG1-N 3.08Å; T347-Y349 PolarHBondContact OG1-O 2.96Å
348	G	75.4	Confident	86.6	Confident	4 Å²	4	28.8 Å²	28.8	4%	0.041	15%	0.147	C	C	.	.	S	Bend	trans	80.8	-13.7	-168.5	0	0	0	0	0	114	N346 K385	N346-G348 PolarHBondContact O-N 3.11Å; N346-G348 PolarHBondContact OD1-N 3.34Å; G348-K385 WeakPolarHBondContact O-CB 3.43Å; G348-K385 PolarHBondContact O-N 3.46Å
349	Y	76.7	Confident	86.3	Confident	26 Å²	26	29.1 Å²	29.1	10%	0.102	15%	0.149	C	C	.	.			trans	-117.5	150.4	178.6	-57.7	-93.6	0	0	0	110	G299 S300 K301 W302 F303 T347 G383 W384	G299-Y349 WeakPolarHBondContact O-CE2 3.13Å; G299-Y349 PolarHBondContact O-OH 3.33Å; S300-Y349 WeakPolarHBondContact O-CE1 3.45Å; S300-Y349 PolarHBondContact O-OH 3.2Å; K301-Y349 WeakPolarHBondContact CA-OH 3.47Å; K301-Y349 PolarHBondContact N-OH 2.87Å; W302-Y349 PolarHBondContact N-OH 2.84Å; F303-Y349 HydrophobicContact CB-CD2 3.86Å; F303-Y349 HydrophobicContact CB-CE2 3.36Å; F303-Y349 HydrophobicContact CG-CE2 4.49Å; F303-Y349 PolarHBondContact N-OH 3.28Å; T347-Y349 WeakPolarHBondContact O-CD2 3.3Å; T347-Y349 PolarHBondContact O-N 3.42Å; T347-Y349 PolarHBondContact OG1-N 3.08Å; T347-Y349 PolarHBondContact OG1-O 2.96Å; Y349-G383 CarbonylContact C-O 3.51Å; Y349-W384 HydrophobicContact CD1-CE3 4.15Å; Y349-W384 HydrophobicContact CD1-CH2 4.16Å; Y349-W384 AromaticContact CD1-CZ3 3.55Å; Y349-W384 HydrophobicContact CD1-CZ3 3.55Å; Y349-W384 HydrophobicContact CE1-CZ3 4.42Å; Y349-W384 HydrophobicContact CG-CZ3 4.41Å
350	G	81	Confident	86	Confident	17 Å²	17	31.9 Å²	31.9	18%	0.175	16%	0.162	C	C	.	.			trans	-94.1	-167.6	175.4	0	0	0	0	0	112.8	R382 G383 W384	G350-R382 CarbonylContact C-O 3.57Å; G350-R382 WeakPolarHBondContact CA-O 3.35Å; G350-G383 VanDerWaalsContact CA-C 3.46Å; G350-W384 VanDerWaalsContact CA-CD1 3.41Å
351	I	85.2	Confident	85.9	Confident	8 Å²	8	31.9 Å²	31.9	4%	0.041	16%	0.162	C	C	.	.			trans	-70.9	143	179.2	-54.7	178.2	0	0	0	110.2	D356 R376 Q377 R382 W384	I351-D356 HydrophobicContact CD1-CB 4.48Å; I351-D356 WeakPolarHBondContact CD1-OD2 3.41Å; I351-D356 HydrophobicContact CG2-CB 3.82Å; I351-R376 HydrophobicContact CD1-CB 3.93Å; I351-R376 HydrophobicContact CG1-CB 3.95Å; I351-Q377 HydrophobicContact CD1-CB 4.18Å; I351-R382 PolarHBondContact N-O 2.86Å; I351-W384 PolarHBondContact O-NE1 2.91Å
352	S	78.9	Confident	85.8	Confident	49 Å²	49	31.5 Å²	31.5	34%	0.343	16%	0.158	S	C	.	.			trans	-70.1	-179.9	174.8	86.7	0	0	0	0	112.5	E355 R382	S352-E355 WeakPolarHBondContact CB-O 3.37Å; S352-E355 PolarHBondContact N-O 3.44Å; S352-E355 PolarHBondContact OG-N 3.01Å; S352-E355 VanDerWaalsContact OG-N 3.13Å; S352-E355 PolarHBondContact OG-O 3.04Å; S352-R382 PolarHBondContact O-NH1 3.19Å; S352-R382 PolarHBondContact O-NH2 3.42Å
353	E	72.4	Confident	85.6	Confident	91 Å²	91	32.5 Å²	32.5	43%	0.425	17%	0.169	S	C	.	.	S	Bend	trans	-64.4	-38.7	178.4	-77.9	-178.6	-167.6	0	0	113.9	N390 V393 M403	E353-N390 PolarHBondContact OE1-ND2 3.09Å; E353-V393 HydrophobicContact CG-CB 4.26Å; E353-V393 HydrophobicContact CG-CG1 3.26Å; E353-M403 VanDerWaalsContact O-CE 3.29Å; E353-M403 WeakPolarHBondContact O-CE 3.33Å
354	K	71.5	Confident	85.5	Confident	165 Å²	165	36.3 Å²	36.3	72%	0.717	19%	0.192	S	C	*	.	S	Bend	trans	-122.9	-19	-165.4	-63.8	-175.5	-178.2	178.6	0	113.9
355	E	76.8	Confident	85.3	Confident	118 Å²	118	44.9 Å²	44.9	55%	0.551	23%	0.232	S	C	*	.			trans	-141.1	137.9	-171.6	-175.9	174	-176.8	0	0	110.6	S352 L357	S352-E355 WeakPolarHBondContact CB-O 3.37Å; S352-E355 PolarHBondContact N-O 3.44Å; S352-E355 PolarHBondContact OG-N 3.01Å; S352-E355 VanDerWaalsContact OG-N 3.13Å; S352-E355 PolarHBondContact OG-O 3.04Å; E355-L357 HydrophobicContact CG-CD2 4.35Å
356	D	85.5	Confident	85.5	Confident	11 Å²	11	52.6 Å²	52.6	6%	0.059	27%	0.274	C	S	.	.			trans	-98.8	102.8	164.7	-173.7	-14	0	0	0	107.5	I351 S358 M359 S375 M412	I351-D356 HydrophobicContact CD1-CB 4.48Å; I351-D356 WeakPolarHBondContact CD1-OD2 3.41Å; I351-D356 HydrophobicContact CG2-CB 3.82Å; D356-S358 PolarHBondContact O-N 3.44Å; D356-S358 WeakPolarHBondContact OD1-CB 3.11Å; D356-S358 PolarHBondContact OD1-N 3.06Å; D356-S358 VanDerWaalsContact OD1-N 3.15Å; D356-S358 PolarHBondContact OD1-OG 3.29Å; D356-S358 PolarHBondContact OD2-OG 3.37Å; D356-M359 HydrophobicContact CB-CE 4.27Å; D356-M359 HydrophobicContact CB-CG 4.04Å; D356-M359 VanDerWaalsContact O-CB 3.31Å; D356-M359 WeakPolarHBondContact O-CB 3.3Å; D356-M359 VanDerWaalsContact O-CG 3.3Å; D356-M359 WeakPolarHBondContact O-CG 3.31Å; D356-M359 PolarHBondContact O-N 3.43Å; D356-S375 PolarHBondContact OD2-OG 3.05Å; D356-M412 HydrophobicContact CB-CE 4.13Å; D356-M412 VanDerWaalsContact OD2-CE 3.29Å; D356-M412 WeakPolarHBondContact OD2-CE 3.35Å
357	L	85.4	Confident	86	Confident	74 Å²	74	54.5 Å²	54.5	39%	0.387	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-57.8	-24	-177.4	-66.9	176	0	0	0	112.3	Y312 E355 M359 Q360	Y312-L357 HydrophobicContact CD1-CB 4.28Å; Y312-L357 HydrophobicContact CD2-CB 4.45Å; Y312-L357 HydrophobicContact CD2-CD1 4.4Å; Y312-L357 HydrophobicContact CE1-CB 4.4Å; Y312-L357 HydrophobicContact CG-CB 4.31Å; E355-L357 HydrophobicContact CG-CD2 4.35Å; L357-M359 PolarHBondContact O-N 3.16Å; L357-Q360 VanDerWaalsContact O-CG 3.25Å; L357-Q360 WeakPolarHBondContact O-CG 3.38Å; L357-Q360 PolarHBondContact O-N 3.12Å
358	S	90.6	Very high	86.7	Confident	2 Å²	2	56.7 Å²	56.7	1%	0.014	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-65.1	-18.9	176.1	72.2	0	0	0	0	113	D356 Q360 Y361 V373	D356-S358 PolarHBondContact O-N 3.44Å; D356-S358 WeakPolarHBondContact OD1-CB 3.11Å; D356-S358 PolarHBondContact OD1-N 3.06Å; D356-S358 VanDerWaalsContact OD1-N 3.15Å; D356-S358 PolarHBondContact OD1-OG 3.29Å; D356-S358 PolarHBondContact OD2-OG 3.37Å; S358-Q360 PolarHBondContact O-N 3.06Å; S358-Q360 VanDerWaalsContact O-N 3.16Å; S358-Y361 WeakPolarHBondContact O-CB 3.35Å; S358-Y361 WeakPolarHBondContact O-CD2 3.28Å; S358-Y361 PolarHBondContact O-N 2.62Å; S358-Y361 VanDerWaalsContact O-N 3.09Å; S358-V373 VanDerWaalsContact OG-CG1 3.24Å; S358-V373 WeakPolarHBondContact OG-CG1 3.24Å
359	M	92.4	Very high	87.8	Confident	18 Å²	18	56.5 Å²	56.5	9%	0.089	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-62.6	-22.5	177.8	-64.8	-55.8	104.3	0	0	113.1	D356 L357 Y361 L362 V373 D408 M412	D356-M359 HydrophobicContact CB-CE 4.27Å; D356-M359 HydrophobicContact CB-CG 4.04Å; D356-M359 VanDerWaalsContact O-CB 3.31Å; D356-M359 WeakPolarHBondContact O-CB 3.3Å; D356-M359 VanDerWaalsContact O-CG 3.3Å; D356-M359 WeakPolarHBondContact O-CG 3.31Å; D356-M359 PolarHBondContact O-N 3.43Å; L357-M359 PolarHBondContact O-N 3.16Å; M359-Y361 PolarHBondContact O-N 3.14Å; M359-Y361 VanDerWaalsContact O-N 3.11Å; M359-L362 VanDerWaalsContact O-CB 3.3Å; M359-L362 WeakPolarHBondContact O-CB 3.36Å; M359-L362 WeakPolarHBondContact O-CG 3.18Å; M359-L362 PolarHBondContact O-N 3.29Å; M359-L362 HydrophobicContact SD-CD1 4.17Å; M359-V373 HydrophobicContact CE-CB 3.64Å; M359-V373 HydrophobicContact CE-CG1 3.52Å; M359-V373 HydrophobicContact CE-CG2 4.32Å; M359-V373 HydrophobicContact SD-CB 4.48Å; M359-D408 HydrophobicContact CG-CB 4.19Å; M359-D408 HydrophobicContact SD-CB 4.02Å; M359-M412 HydrophobicContact CE-CE 3.34Å; M359-M412 HydrophobicContact CE-CG 3.77Å; M359-M412 HydrophobicContact CE-SD 4.41Å; M359-M412 HydrophobicContact CG-CE 4.45Å; M359-M412 HydrophobicContact SD-CE 3.71Å; M359-M412 HydrophobicContact SD-CG 3.69Å; M359-M412 HydrophobicContact SD-SD 4.36Å
360	Q	93.1	Very high	88.9	Confident	62 Å²	62	55.4 Å²	55.4	29%	0.29	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-59.8	-24	175.2	76.8	-178	-5.3	0	0	113.1	Y312 V317 L357 S358 L362 G363	Y312-Q360 PolarHBondContact O-NE2 2.78Å; Y312-Q360 PolarHBondContact O-OE1 2.93Å; V317-Q360 HydrophobicContact CG2-CG 3.91Å; L357-Q360 VanDerWaalsContact O-CG 3.25Å; L357-Q360 WeakPolarHBondContact O-CG 3.38Å; L357-Q360 PolarHBondContact O-N 3.12Å; S358-Q360 PolarHBondContact O-N 3.06Å; S358-Q360 VanDerWaalsContact O-N 3.16Å; Q360-L362 PolarHBondContact O-N 3.14Å; Q360-G363 PolarHBondContact O-N 3.33Å
361	Y	97.3	Very high	89.7	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-70.3	-7.5	177.1	-66.3	-62.5	0	0	0	113.6	V280 A281 Y312 V317 V320 V342 S358 M359 A369 A370	V280-Y361 HydrophobicContact CB-CE1 4.22Å; V280-Y361 HydrophobicContact CB-CE2 4.44Å; V280-Y361 HydrophobicContact CG2-CD1 4.12Å; V280-Y361 HydrophobicContact CG2-CD2 3.61Å; V280-Y361 HydrophobicContact CG2-CE1 3.98Å; V280-Y361 HydrophobicContact CG2-CE2 3.43Å; V280-Y361 VanDerWaalsContact CG2-CE2 3.43Å; V280-Y361 HydrophobicContact CG2-CG 3.98Å; V280-Y361 PolarHBondContact O-OH 3.25Å; V280-Y361 VanDerWaalsContact O-OH 3.05Å; A281-Y361 VanDerWaalsContact CA-OH 3.31Å; A281-Y361 WeakPolarHBondContact CA-OH 3.26Å; Y312-Y361 AromaticContact CD1-CE2 3.62Å; Y312-Y361 HydrophobicContact CD1-CE2 3.62Å; Y312-Y361 AromaticContact CE1-CE2 3.8Å; Y312-Y361 HydrophobicContact CE1-CE2 3.8Å; V317-Y361 HydrophobicContact CB-CD1 4.43Å; V317-Y361 HydrophobicContact CG2-CD1 3.79Å; V317-Y361 HydrophobicContact CG2-CE1 3.94Å; V320-Y361 HydrophobicContact CG2-CD1 4.01Å; V342-Y361 HydrophobicContact CG2-CD2 4.46Å; V342-Y361 HydrophobicContact CG2-CG 4.28Å; S358-Y361 WeakPolarHBondContact O-CB 3.35Å; S358-Y361 WeakPolarHBondContact O-CD2 3.28Å; S358-Y361 PolarHBondContact O-N 2.62Å; S358-Y361 VanDerWaalsContact O-N 3.09Å; M359-Y361 PolarHBondContact O-N 3.14Å; M359-Y361 VanDerWaalsContact O-N 3.11Å; Y361-A369 WeakPolarHBondContact O-CB 3.31Å; Y361-A370 WeakPolarHBondContact O-CB 3.31Å; Y361-A370 PolarHBondContact O-N 3.48Å
362	L	96.9	Very high	90.3	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.01	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-70	-23.9	166.6	-62.8	172.4	0	0	0	111.6	M359 Q360 A369 V373 Y407	M359-L362 VanDerWaalsContact O-CB 3.3Å; M359-L362 WeakPolarHBondContact O-CB 3.36Å; M359-L362 WeakPolarHBondContact O-CG 3.18Å; M359-L362 PolarHBondContact O-N 3.29Å; M359-L362 HydrophobicContact SD-CD1 4.17Å; Q360-L362 PolarHBondContact O-N 3.14Å; L362-A369 PolarHBondContact O-N 2.92Å; L362-V373 HydrophobicContact CD2-CG2 3.75Å; L362-V373 HydrophobicContact CG-CG2 3.79Å; L362-Y407 HydrophobicContact CB-CE1 4.16Å; L362-Y407 HydrophobicContact CD1-CD1 4.3Å; L362-Y407 HydrophobicContact CD1-CE1 3.76Å
363	G	95.1	Very high	91.3	Very high	21 Å²	21	53.6 Å²	53.6	22%	0.216	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	71.7	-153.3	-172	0	0	0	0	0	112.1	Q360	Q360-G363 PolarHBondContact O-N 3.33Å
364	T	93.2	Very high	92.5	Very high	81 Å²	81	49.4 Å²	49.4	50%	0.497	26%	0.258	S	S	.	.			trans	-117.3	167	178.1	63.5	0	0	0	0	110.6	D366 S367 P368	T364-D366 VanDerWaalsContact C-N 3.26Å; T364-D366 PolarHBondContact O-N 2.96Å; T364-S367 PolarHBondContact N-O 3.16Å; T364-S367 CarbonylContact O-C 3.59Å; T364-S367 PolarHBondContact O-N 3.01Å; T364-S367 WeakPolarHBondContact OG1-CB 3.45Å; T364-S367 PolarHBondContact OG1-N 2.88Å; T364-P368 VanDerWaalsContact O-CA 3.31Å; T364-P368 WeakPolarHBondContact O-CA 3.43Å
365	E	89	Confident	93.6	Very high	179 Å²	179	41.5 Å²	41.5	84%	0.836	22%	0.224	S	C	*	.	S	Bend	trans	-56.7	-41.2	176	-66.3	-172.5	165.1	0	0	112.2	S367	E365-S367 VanDerWaalsContact C-N 3.32Å; E365-S367 PolarHBondContact O-N 3.37Å
366	D	93.4	Very high	94.4	Very high	163 Å²	163	36.7 Å²	36.7	87%	0.872	20%	0.201	S	C	*	.	S	Bend	trans	-74.3	-22	177.7	-64.1	-39.2	0	0	0	113.3	T364	T364-D366 VanDerWaalsContact C-N 3.26Å; T364-D366 PolarHBondContact O-N 2.96Å
367	S	95	Very high	94.8	Very high	46 Å²	46	36.2 Å²	36.2	32%	0.322	20%	0.198	S	C	.	.	S	Bend	trans	-143.9	66.6	-172.5	-160.8	0	0	0	0	111.3	R321 T364 E365	R321-S367 WeakPolarHBondContact CD-OG 3.41Å; R321-S367 PolarHBondContact NE-O 2.87Å; R321-S367 PolarHBondContact NE-OG 2.95Å; R321-S367 PolarHBondContact NH2-O 2.73Å; T364-S367 PolarHBondContact N-O 3.16Å; T364-S367 CarbonylContact O-C 3.59Å; T364-S367 PolarHBondContact O-N 3.01Å; T364-S367 WeakPolarHBondContact OG1-CB 3.45Å; T364-S367 PolarHBondContact OG1-N 2.88Å; E365-S367 VanDerWaalsContact C-N 3.32Å; E365-S367 PolarHBondContact O-N 3.37Å
368	P	96.8	Very high	95.2	Very high	53 Å²	53	32.8 Å²	32.8	34%	0.344	18%	0.18	S	C	.	.	B	Isolated β-bridge	trans	-69.8	144.9	-172	28.1	-35.7	0	0	0	111.5	T364	T364-P368 VanDerWaalsContact O-CA 3.31Å; T364-P368 WeakPolarHBondContact O-CA 3.43Å
369	A	98.3	Very high	95.4	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.179	C	C	.	.			trans	-115.6	-109.3	174.7	0	0	0	0	0	109.6	V317 V320 R321 R324 Y361 L362	V317-A369 HydrophobicContact CG1-CB 3.88Å; V320-A369 HydrophobicContact CB-CB 4.29Å; V320-A369 HydrophobicContact CG1-CB 3.9Å; R321-A369 HydrophobicContact CB-CB 4.29Å; R324-A369 WeakPolarHBondContact CB-O 3.42Å; R324-A369 WeakPolarHBondContact CD-O 3.3Å; R324-A369 WeakPolarHBondContact CG-O 3.41Å; R324-A369 PolarHBondContact NE-O 2.81Å; Y361-A369 WeakPolarHBondContact O-CB 3.31Å; L362-A369 PolarHBondContact O-N 2.92Å
370	A	98.7	Very high	95.4	Very high	4 Å²	4	35 Å²	35	3%	0.033	19%	0.189	C	C	.	.			trans	-68.6	151.9	177.4	0	0	0	0	0	111.9	V320 V342 Y361	V320-A370 HydrophobicContact CG1-CB 4.03Å; V342-A370 HydrophobicContact CB-CB 4.37Å; V342-A370 HydrophobicContact CG1-CB 3.62Å; V342-A370 HydrophobicContact CG2-CB 3.86Å; Y361-A370 WeakPolarHBondContact O-CB 3.31Å; Y361-A370 PolarHBondContact O-N 3.48Å
371	H	98.5	Very high	95.2	Very high	33 Å²	33	36.7 Å²	36.7	15%	0.153	20%	0.197	C	C	.	.	S	Bend	trans	-80.1	-33.2	166.9	-57.3	95.5	0	0	0	112.2	W98 R324 K338 L339 L340	W98-H371 AromaticContact CH2-NE2 3.9Å; W98-H371 HydrophobicContact CZ2-CB 4.31Å; W98-H371 AromaticContact CZ2-CD2 3.65Å; W98-H371 AromaticContact CZ2-NE2 3.91Å; R324-H371 VanDerWaalsContact CZ-CE1 3.41Å; R324-H371 PolarHBondContact NH1-CE1 3.36Å; R324-H371 PolarHBondContact NH1-NE2 3.14Å; R324-H371 PolarHBondContact NH2-CD2 3.24Å; R324-H371 PolarHBondContact NH2-NE2 3.28Å; K338-H371 PolarHBondContact O-CE1 2.86Å; L339-H371 HydrophobicContact CD1-CB 4.08Å; L340-H371 PolarHBondContact N-CE1 2.99Å; L340-H371 PolarHBondContact N-ND1 3.19Å; L340-H371 WeakPolarHBondContact O-CB 3.34Å; L340-H371 PolarHBondContact O-N 2.89Å; L340-H371 PolarHBondContact O-ND1 3.03Å
372	V	98.6	Very high	94.9	Very high	2 Å²	2	37 Å²	37	1%	0.012	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	137.9	-170.8	-177.3	0	0	0	0	109.7	L339 L340 A341 V342 S411 A413	L339-V372 HydrophobicContact CD1-CB 4.01Å; L339-V372 HydrophobicContact CD1-CG2 3.63Å; L340-V372 PolarHBondContact O-N 3.39Å; A341-V372 CarbonylContact C-O 3.37Å; A341-V372 WeakPolarHBondContact CA-O 3.42Å; A341-V372 HydrophobicContact CB-CB 4.34Å; V342-V372 PolarHBondContact N-O 3.13Å; V372-S411 CarbonylContact C-O 3.24Å; V372-S411 WeakPolarHBondContact CA-O 3.33Å; V372-A413 HydrophobicContact CG1-CB 3.5Å; V372-A413 VanDerWaalsContact CG1-CB 3.5Å; V372-A413 VanDerWaalsContact CG1-N 3.27Å
373	V	98.3	Very high	94.5	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	127.1	172.9	179	0	0	0	0	109.5	V342 S358 M359 L362 S375 S411 M412 A413	V342-V373 HydrophobicContact CG2-CB 4.09Å; V342-V373 HydrophobicContact CG2-CG1 4.1Å; V342-V373 HydrophobicContact CG2-CG2 3.61Å; V342-V373 CarbonylContact O-C 3.19Å; V342-V373 WeakPolarHBondContact O-CA 3.37Å; S358-V373 VanDerWaalsContact OG-CG1 3.24Å; S358-V373 WeakPolarHBondContact OG-CG1 3.24Å; M359-V373 HydrophobicContact CE-CB 3.64Å; M359-V373 HydrophobicContact CE-CG1 3.52Å; M359-V373 HydrophobicContact CE-CG2 4.32Å; M359-V373 HydrophobicContact SD-CB 4.48Å; L362-V373 HydrophobicContact CD2-CG2 3.75Å; L362-V373 HydrophobicContact CG-CG2 3.79Å; V373-S375 PolarHBondContact O-N 2.68Å; V373-S411 PolarHBondContact N-O 3.04Å; V373-M412 CarbonylContact O-C 3.46Å; V373-M412 VanDerWaalsContact O-CA 3.29Å; V373-M412 WeakPolarHBondContact O-CA 3.19Å; V373-A413 PolarHBondContact O-N 3.41Å
374	V	98.1	Very high	94.1	Very high	3 Å²	3	37.9 Å²	37.9	2%	0.018	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	118.2	172.4	178.6	0	0	0	0	108.7	W105 L276 V342 D343 A413 T415 L441	W105-V374 HydrophobicContact CZ3-CG1 4.17Å; L276-V374 HydrophobicContact CD1-CG2 3.91Å; V342-V374 PolarHBondContact O-N 2.88Å; D343-V374 HydrophobicContact CB-CB 4Å; D343-V374 HydrophobicContact CB-CG2 4.11Å; V374-A413 HydrophobicContact CG2-CB 4.2Å; V374-T415 HydrophobicContact CG1-CG2 4.17Å; V374-L441 HydrophobicContact CG2-CD2 4.41Å
375	S	95.2	Very high	93.3	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	139.3	-176.4	-176.7	0	0	0	0	111.6	D356 V373 Q377 M412 A413	D356-S375 PolarHBondContact OD2-OG 3.05Å; V373-S375 PolarHBondContact O-N 2.68Å; S375-Q377 PolarHBondContact O-N 3.42Å; S375-Q377 WeakPolarHBondContact OG-CB 3.45Å; S375-Q377 PolarHBondContact OG-N 2.97Å; S375-Q377 VanDerWaalsContact OG-N 3.09Å; S375-M412 WeakPolarHBondContact OG-CE 3.04Å; S375-A413 PolarHBondContact N-O 3.05Å
376	R	93	Very high	92.6	Very high	16 Å²	16	29.2 Å²	29.2	6%	0.06	15%	0.151	C	C	.	.			trans	-86.1	13.1	170.5	-72.4	166.7	173.4	72.1	11.7	112.9	D343 G345 I351 F378 V379 R382 D421	D343-R376 IonicContact OD1-CZ 2.63Å; D343-R376 VanDerWaalsContact OD1-CZ 3.27Å; D343-R376 IonicContact OD1-NH1 3.74Å; D343-R376 PolarHBondContact OD1-NH1 2.96Å; D343-R376 IonicContact OD1-NH2 3.79Å; D343-R376 PolarHBondContact OD1-NH2 3.31Å; D343-R376 IonicContact OD2-NH2 3.7Å; G345-R376 PolarHBondContact O-NH2 3.28Å; I351-R376 HydrophobicContact CD1-CB 3.93Å; I351-R376 HydrophobicContact CG1-CB 3.95Å; R376-F378 PolarHBondContact O-N 3.37Å; R376-V379 HydrophobicContact CB-CG2 3.77Å; R376-V379 HydrophobicContact CG-CG2 3.95Å; R376-V379 PolarHBondContact O-N 3Å; R376-R382 CarbonylContact O-C 3.58Å; R376-R382 VanDerWaalsContact O-CA 3.25Å; R376-R382 WeakPolarHBondContact O-CA 3.17Å; R376-D421 IonicContact NE-OD2 2.64Å; R376-D421 IonicContact NH2-OD2 3.95Å
377	Q	93.4	Very high	91.7	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.009	15%	0.149	C	C	.	.	S	Bend	trans	-58.4	-34.8	-175.4	179.9	59.4	21.9	0	0	113.2	I351 S375 R382 N396 D397 T400 Y401	I351-Q377 HydrophobicContact CD1-CB 4.18Å; S375-Q377 PolarHBondContact O-N 3.42Å; S375-Q377 WeakPolarHBondContact OG-CB 3.45Å; S375-Q377 PolarHBondContact OG-N 2.97Å; S375-Q377 VanDerWaalsContact OG-N 3.09Å; Q377-R382 VanDerWaalsContact OE1-NE 3.08Å; Q377-N396 WeakPolarHBondContact O-CB 3.37Å; Q377-D397 PolarHBondContact NE2-O 2.84Å; Q377-T400 PolarHBondContact NE2-OG1 3.3Å; Q377-Y401 HydrophobicContact CG-CD2 4.21Å
378	F	95.4	Very high	90.8	Very high	1 Å²	1	26.1 Å²	26.1	0%	0.004	14%	0.139	C	C	.	.	S	Bend	trans	-114.9	-2.6	-175.7	-65.5	-66.9	0	0	0	114.6	R376 N396 I398 Y401 L414 T415 Q424 A429 T433 L436	R376-F378 PolarHBondContact O-N 3.37Å; F378-N396 HydrophobicContact CD1-CB 4.48Å; F378-N396 PolarHBondContact O-ND2 2.9Å; F378-I398 HydrophobicContact CE1-CG1 4.42Å; F378-I398 HydrophobicContact CZ-CG1 4.45Å; F378-Y401 HydrophobicContact CE2-CD2 4.3Å; F378-L414 HydrophobicContact CD2-CB 4.48Å; F378-L414 HydrophobicContact CD2-CD1 4.5Å; F378-L414 HydrophobicContact CD2-CD2 4.22Å; F378-L414 HydrophobicContact CE2-CD1 4.16Å; F378-L414 HydrophobicContact CE2-CD2 4.18Å; F378-T415 CarbonylContact C-O 3.52Å; F378-Q424 PolarHBondContact O-NE2 2.92Å; F378-A429 HydrophobicContact CB-CB 4.2Å; F378-A429 HydrophobicContact CD1-CB 4.27Å; F378-T433 HydrophobicContact CB-CG2 4.12Å; F378-T433 HydrophobicContact CD2-CG2 4.41Å; F378-T433 HydrophobicContact CG-CG2 4.49Å; F378-L436 HydrophobicContact CE1-CD1 4.38Å; F378-L436 HydrophobicContact CE2-CD1 3.53Å; F378-L436 HydrophobicContact CZ-CD1 3.29Å
379	V	94.3	Very high	89.7	Confident	0 Å²	0	31 Å²	31	0%	0	17%	0.168	C	C	.	.	S	Bend	trans	-68.9	163.8	171.7	-49.2	0	0	0	0	110.9	R376 Q381 R382 T415 D421 Q424	R376-V379 HydrophobicContact CB-CG2 3.77Å; R376-V379 HydrophobicContact CG-CG2 3.95Å; R376-V379 PolarHBondContact O-N 3Å; V379-Q381 PolarHBondContact O-N 3.29Å; V379-R382 PolarHBondContact O-N 3.4Å; V379-T415 HydrophobicContact CG1-CG2 4.07Å; V379-T415 PolarHBondContact N-O 3.15Å; V379-D421 HydrophobicContact CB-CB 3.93Å; V379-D421 HydrophobicContact CG1-CB 4.11Å; V379-D421 HydrophobicContact CG2-CB 4.18Å; V379-Q424 VanDerWaalsContact C-NE2 3.32Å
380	K	91.2	Very high	88.9	Confident	67 Å²	67	34 Å²	34	29%	0.291	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-54.7	131.7	-178	-174.7	172.7	177.3	177.6	0	110.3	R382 G383 Q424 E451	K380-R382 PolarHBondContact O-N 3.03Å; K380-G383 PolarHBondContact O-N 3.23Å; K380-Q424 HydrophobicContact CB-CB 4.39Å; K380-Q424 VanDerWaalsContact N-NE2 3.12Å; K380-E451 IonicContact NZ-OE1 3.06Å; K380-E451 PolarHBondContact NZ-OE1 3.11Å
381	Q	89.7	Confident	88.1	Confident	97 Å²	97	38 Å²	38	45%	0.453	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	53.3	25.1	-178.8	-64.2	174.1	-29.8	0	0	114.1	V379 G383 W384 T394	V379-Q381 PolarHBondContact O-N 3.29Å; Q381-G383 PolarHBondContact O-N 3.28Å; Q381-G383 VanDerWaalsContact O-N 3.16Å; Q381-W384 HydrophobicContact CB-CB 4.32Å; Q381-W384 WeakPolarHBondContact O-CB 3.37Å; Q381-W384 PolarHBondContact O-N 3.03Å; Q381-W384 PolarHBondContact OE1-O 2.82Å; Q381-T394 HydrophobicContact CB-CG2 4.47Å
382	R	91.1	Very high	87.4	Confident	6 Å²	6	39.9 Å²	39.9	2%	0.023	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	54.2	28.9	-174.5	-64.4	-176.7	64.8	-139.4	15.8	114.3	G350 I351 S352 R376 Q377 V379 K380 V393 N395 N396	G350-R382 CarbonylContact C-O 3.57Å; G350-R382 WeakPolarHBondContact CA-O 3.35Å; I351-R382 PolarHBondContact N-O 2.86Å; S352-R382 PolarHBondContact O-NH1 3.19Å; S352-R382 PolarHBondContact O-NH2 3.42Å; R376-R382 CarbonylContact O-C 3.58Å; R376-R382 VanDerWaalsContact O-CA 3.25Å; R376-R382 WeakPolarHBondContact O-CA 3.17Å; Q377-R382 VanDerWaalsContact OE1-NE 3.08Å; V379-R382 PolarHBondContact O-N 3.4Å; K380-R382 PolarHBondContact O-N 3.03Å; R382-V393 VanDerWaalsContact CD-O 3.29Å; R382-V393 WeakPolarHBondContact CD-O 3.33Å; R382-V393 PolarHBondContact NH1-O 2.65Å; R382-N395 WeakPolarHBondContact CD-O 3.48Å; R382-N396 HydrophobicContact CG-CB 3.75Å
383	G	88.2	Confident	86.6	Confident	2 Å²	2	40.2 Å²	40.2	2%	0.021	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	86.9	-1	-179.2	0	0	0	0	0	114.6	Y349 G350 K380 Q381 K385	Y349-G383 CarbonylContact C-O 3.51Å; G350-G383 VanDerWaalsContact CA-C 3.46Å; K380-G383 PolarHBondContact O-N 3.23Å; Q381-G383 PolarHBondContact O-N 3.28Å; Q381-G383 VanDerWaalsContact O-N 3.16Å; G383-K385 PolarHBondContact O-N 3.1Å
384	W	85.9	Confident	86.1	Confident	41 Å²	41	41.8 Å²	41.8	16%	0.155	24%	0.238	C	C	.	.			trans	-70.1	117.5	177	-73	90.3	0	0	0	110.5	Y349 G350 I351 Q381 P388 V393 T394	Y349-W384 HydrophobicContact CD1-CE3 4.15Å; Y349-W384 HydrophobicContact CD1-CH2 4.16Å; Y349-W384 AromaticContact CD1-CZ3 3.55Å; Y349-W384 HydrophobicContact CD1-CZ3 3.55Å; Y349-W384 HydrophobicContact CE1-CZ3 4.42Å; Y349-W384 HydrophobicContact CG-CZ3 4.41Å; G350-W384 VanDerWaalsContact CA-CD1 3.41Å; I351-W384 PolarHBondContact O-NE1 2.91Å; Q381-W384 HydrophobicContact CB-CB 4.32Å; Q381-W384 WeakPolarHBondContact O-CB 3.37Å; Q381-W384 PolarHBondContact O-N 3.03Å; Q381-W384 PolarHBondContact OE1-O 2.82Å; W384-P388 HydrophobicContact CD2-CB 3.82Å; W384-P388 HydrophobicContact CD2-CG 3.89Å; W384-P388 HydrophobicContact CE3-CB 3.6Å; W384-P388 HydrophobicContact CE3-CG 4.03Å; W384-P388 HydrophobicContact CG-CG 4.15Å; W384-P388 HydrophobicContact CH2-CB 3.88Å; W384-P388 HydrophobicContact CZ2-CB 4.1Å; W384-P388 HydrophobicContact CZ3-CB 3.59Å; W384-V393 HydrophobicContact CD2-CG2 4.43Å; W384-V393 HydrophobicContact CZ2-CG2 4.01Å; W384-T394 HydrophobicContact CB-CG2 4.23Å; W384-T394 HydrophobicContact CG-CG2 4.25Å
385	K	78.3	Confident	85.4	Confident	61 Å²	61	45.1 Å²	45.1	27%	0.265	26%	0.256	S	S	.	.	S	Bend	trans	-91.2	-34.4	176.9	-51.9	-53.8	-166.1	174.8	0	112.2	G348 G383 T420 D421 D477	G348-K385 WeakPolarHBondContact O-CB 3.43Å; G348-K385 PolarHBondContact O-N 3.46Å; G383-K385 PolarHBondContact O-N 3.1Å; K385-T420 PolarHBondContact NZ-O 2.66Å; K385-D421 IonicContact NZ-OD1 3.42Å; K385-D421 PolarHBondContact NZ-OD1 3Å; K385-D477 VanDerWaalsContact CD-OD2 3.24Å; K385-D477 WeakPolarHBondContact CD-OD2 3.41Å; K385-D477 WeakPolarHBondContact CE-OD2 3.35Å; K385-D477 IonicContact NZ-OD2 3.75Å; K385-D477 PolarHBondContact NZ-OD2 3.09Å
386	A	73.7	Confident	84.9	Confident	17 Å²	17	45.7 Å²	45.7	14%	0.14	26%	0.259	C	S	.	.	S	Bend	trans	-102.7	146.3	169.1	0	0	0	0	0	110.5	P388	A386-P388 WeakPolarHBondContact O-CD 3.41Å
387	P	73.3	Confident	84.5	Confident	127 Å²	127	46.9 Å²	46.9	83%	0.825	27%	0.267	S	S	*	.	P	Polyproline II helix	trans	-57.4	121.4	176.9	-24.8	34.1	0	0	0	111.5
388	P	76.4	Confident	84.4	Confident	17 Å²	17	46.8 Å²	46.8	11%	0.11	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-67.1	160.5	175.2	22.3	-28	0	0	0	111.5	W384 A386 N390 V393 T394	W384-P388 HydrophobicContact CD2-CB 3.82Å; W384-P388 HydrophobicContact CD2-CG 3.89Å; W384-P388 HydrophobicContact CE3-CB 3.6Å; W384-P388 HydrophobicContact CE3-CG 4.03Å; W384-P388 HydrophobicContact CG-CG 4.15Å; W384-P388 HydrophobicContact CH2-CB 3.88Å; W384-P388 HydrophobicContact CZ2-CB 4.1Å; W384-P388 HydrophobicContact CZ3-CB 3.59Å; A386-P388 WeakPolarHBondContact O-CD 3.41Å; P388-N390 VanDerWaalsContact C-N 3.26Å; P388-N390 WeakPolarHBondContact CG-O 3.49Å; P388-N390 PolarHBondContact O-N 3.25Å; P388-V393 HydrophobicContact CB-CG2 3.56Å; P388-V393 HydrophobicContact CG-CG2 3.35Å; P388-T394 HydrophobicContact CG-CG2 3.39Å
389	T	74.1	Confident	83.9	Confident	156 Å²	156	52.1 Å²	52.1	96%	0.957	29%	0.29	S	S	*	.	S	Bend	trans	-57.6	-39.2	174.6	-51	0	0	0	0	112.4
390	N	80.9	Confident	83.5	Confident	61 Å²	61	53 Å²	53	33%	0.326	30%	0.295	S	S	.	.	S	Bend	trans	-104.5	110.7	170.1	-178.4	2.3	0	0	0	109.6	E353 P388 S392 V393	E353-N390 PolarHBondContact OE1-ND2 3.09Å; P388-N390 VanDerWaalsContact C-N 3.26Å; P388-N390 WeakPolarHBondContact CG-O 3.49Å; P388-N390 PolarHBondContact O-N 3.25Å; N390-S392 PolarHBondContact O-N 3.12Å; N390-S392 WeakPolarHBondContact OD1-CB 3.49Å; N390-S392 PolarHBondContact OD1-N 3.02Å; N390-S392 PolarHBondContact OD1-OG 2.95Å; N390-V393 HydrophobicContact CB-CG1 3.99Å; N390-V393 WeakPolarHBondContact O-CG1 3.48Å; N390-V393 VanDerWaalsContact O-CG2 3.27Å; N390-V393 WeakPolarHBondContact O-CG2 3.35Å; N390-V393 PolarHBondContact O-N 2.93Å
391	P	83	Confident	83.5	Confident	89 Å²	89	49.8 Å²	49.8	58%	0.578	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-60.1	-27.6	179.1	-25.3	35	0	0	0	114.3	V393 T394	P391-V393 PolarHBondContact O-N 2.79Å; P391-V393 VanDerWaalsContact O-N 3.14Å; P391-T394 WeakPolarHBondContact O-CB 3.34Å; P391-T394 PolarHBondContact O-N 3.48Å; P391-T394 VanDerWaalsContact O-N 3.1Å; P391-T394 PolarHBondContact O-OG1 3.23Å
392	S	83.4	Confident	83.5	Confident	72 Å²	72	47.2 Å²	47.2	50%	0.503	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-61.3	-23.8	-177.8	-62.8	0	0	0	0	113.3	N390 T394 N395	N390-S392 PolarHBondContact O-N 3.12Å; N390-S392 WeakPolarHBondContact OD1-CB 3.49Å; N390-S392 PolarHBondContact OD1-N 3.02Å; N390-S392 PolarHBondContact OD1-OG 2.95Å; S392-T394 PolarHBondContact O-N 3.19Å; S392-N395 WeakPolarHBondContact O-CB 3.37Å; S392-N395 PolarHBondContact O-N 3.47Å; S392-N395 PolarHBondContact O-ND2 2.93Å
393	V	82.6	Confident	83.4	Confident	10 Å²	10	51.4 Å²	51.4	6%	0.061	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-69.5	-14.3	179	-42.3	0	0	0	0	113.1	E353 R382 W384 P388 N390 P391 N395	E353-V393 HydrophobicContact CG-CB 4.26Å; E353-V393 HydrophobicContact CG-CG1 3.26Å; R382-V393 VanDerWaalsContact CD-O 3.29Å; R382-V393 WeakPolarHBondContact CD-O 3.33Å; R382-V393 PolarHBondContact NH1-O 2.65Å; W384-V393 HydrophobicContact CD2-CG2 4.43Å; W384-V393 HydrophobicContact CZ2-CG2 4.01Å; P388-V393 HydrophobicContact CB-CG2 3.56Å; P388-V393 HydrophobicContact CG-CG2 3.35Å; N390-V393 HydrophobicContact CB-CG1 3.99Å; N390-V393 WeakPolarHBondContact O-CG1 3.48Å; N390-V393 VanDerWaalsContact O-CG2 3.27Å; N390-V393 WeakPolarHBondContact O-CG2 3.35Å; N390-V393 PolarHBondContact O-N 2.93Å; P391-V393 PolarHBondContact O-N 2.79Å; P391-V393 VanDerWaalsContact O-N 3.14Å; V393-N395 VanDerWaalsContact C-N 3.3Å
394	T	86.4	Confident	83.4	Confident	32 Å²	32	52.2 Å²	52.2	20%	0.196	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-83	-8.2	177.2	66.7	0	0	0	0	113	Q381 W384 P388 P391 S392 N396	Q381-T394 HydrophobicContact CB-CG2 4.47Å; W384-T394 HydrophobicContact CB-CG2 4.23Å; W384-T394 HydrophobicContact CG-CG2 4.25Å; P388-T394 HydrophobicContact CG-CG2 3.39Å; P391-T394 WeakPolarHBondContact O-CB 3.34Å; P391-T394 PolarHBondContact O-N 3.48Å; P391-T394 VanDerWaalsContact O-N 3.1Å; P391-T394 PolarHBondContact O-OG1 3.23Å; S392-T394 PolarHBondContact O-N 3.19Å; T394-N396 PolarHBondContact O-N 3.14Å; T394-N396 VanDerWaalsContact O-N 3.17Å
395	N	84.5	Confident	83.6	Confident	74 Å²	74	52.8 Å²	52.8	40%	0.396	31%	0.305	S	S	.	.			trans	-73.6	105.2	178.6	-66.6	-21.9	0	0	0	110	R382 S392 V393 D397	R382-N395 WeakPolarHBondContact CD-O 3.48Å; S392-N395 WeakPolarHBondContact O-CB 3.37Å; S392-N395 PolarHBondContact O-N 3.47Å; S392-N395 PolarHBondContact O-ND2 2.93Å; V393-N395 VanDerWaalsContact C-N 3.3Å; N395-D397 PolarHBondContact O-N 2.99Å
396	N	84.8	Confident	84.3	Confident	12 Å²	12	54 Å²	54	6%	0.064	32%	0.317	C	S	.	.			trans	-76	58.4	173.8	60.1	-11.1	0	0	0	112.8	Q377 F378 R382 T394 D426 K583	Q377-N396 WeakPolarHBondContact O-CB 3.37Å; F378-N396 HydrophobicContact CD1-CB 4.48Å; F378-N396 PolarHBondContact O-ND2 2.9Å; R382-N396 HydrophobicContact CG-CB 3.75Å; T394-N396 PolarHBondContact O-N 3.14Å; T394-N396 VanDerWaalsContact O-N 3.17Å; N396-D426 PolarHBondContact ND2-OD2 3.09Å; N396-K583 PolarHBondContact OD1-NZ 3.38Å
397	D	84.9	Confident	85.2	Confident	41 Å²	41	58.2 Å²	58.2	22%	0.219	33%	0.33	C	S	.	.			trans	-96.6	167.1	-177.3	66	34.8	0	0	0	112.6	Q377 N395 F399 T400 E565	Q377-D397 PolarHBondContact NE2-O 2.84Å; N395-D397 PolarHBondContact O-N 2.99Å; D397-F399 VanDerWaalsContact C-N 3.33Å; D397-F399 PolarHBondContact OD1-N 3.37Å; D397-T400 PolarHBondContact O-OG1 3.45Å; D397-T400 WeakPolarHBondContact OD1-CB 3.39Å; D397-T400 WeakPolarHBondContact OD1-CG2 3.4Å; D397-T400 PolarHBondContact OD1-N 3.15Å; D397-T400 PolarHBondContact OD1-OG1 2.89Å; D397-E565 WeakPolarHBondContact CB-OE1 3.43Å
398	I	90.2	Very high	86	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-79.6	-24	-179.8	-63	-178	0	0	0	110.9	F378 T400 Y401 D402 L436 F550 M552 E565 F567 L581	F378-I398 HydrophobicContact CE1-CG1 4.42Å; F378-I398 HydrophobicContact CZ-CG1 4.45Å; I398-T400 VanDerWaalsContact C-N 3.34Å; I398-T400 PolarHBondContact O-N 3.23Å; I398-Y401 CarbonylContact O-C 3.55Å; I398-Y401 WeakPolarHBondContact O-CB 3.26Å; I398-Y401 PolarHBondContact O-N 3.32Å; I398-Y401 VanDerWaalsContact O-N 3.17Å; I398-D402 PolarHBondContact O-N 3.34Å; I398-L436 HydrophobicContact CD1-CD1 4.42Å; I398-L436 HydrophobicContact CD1-CD2 4.41Å; I398-L436 HydrophobicContact CG1-CD1 4.24Å; I398-L436 HydrophobicContact CG2-CD2 4.12Å; I398-F550 HydrophobicContact CG2-CE2 4.14Å; I398-F550 HydrophobicContact CG2-CZ 3.73Å; I398-M552 HydrophobicContact CG2-CE 4.28Å; I398-M552 HydrophobicContact CG2-SD 3.6Å; I398-E565 HydrophobicContact CD1-CB 4.41Å; I398-E565 PolarHBondContact N-OE1 3.44Å; I398-F567 HydrophobicContact CD1-CD1 4.04Å; I398-F567 HydrophobicContact CD1-CE1 3.66Å; I398-L581 HydrophobicContact CD1-CD1 3.27Å
399	F	85.9	Confident	86.9	Confident	113 Å²	113	54.2 Å²	54.2	50%	0.496	30%	0.299	S	S	.	.	H	α-helix	trans	-58.3	-46.6	175.6	-178.9	-93.2	0	0	0	111.7	D397 Y401 D402 M403	D397-F399 VanDerWaalsContact C-N 3.33Å; D397-F399 PolarHBondContact OD1-N 3.37Å; F399-Y401 VanDerWaalsContact C-N 3.31Å; F399-Y401 PolarHBondContact O-N 3.18Å; F399-D402 PolarHBondContact O-N 3.47Å; F399-M403 HydrophobicContact CD1-CE 4.47Å; F399-M403 HydrophobicContact CE1-CE 4.32Å; F399-M403 HydrophobicContact CE1-SD 4.14Å; F399-M403 PolarHBondContact O-N 2.7Å
400	T	84.9	Confident	87.9	Confident	17 Å²	17	49.4 Å²	49.4	10%	0.104	27%	0.268	C	S	.	.	H	α-helix	trans	-65.7	-34	175.8	48.6	0	0	0	0	112.6	Q377 D397 I398 M403	Q377-T400 PolarHBondContact NE2-OG1 3.3Å; D397-T400 PolarHBondContact O-OG1 3.45Å; D397-T400 WeakPolarHBondContact OD1-CB 3.39Å; D397-T400 WeakPolarHBondContact OD1-CG2 3.4Å; D397-T400 PolarHBondContact OD1-N 3.15Å; D397-T400 PolarHBondContact OD1-OG1 2.89Å; I398-T400 VanDerWaalsContact C-N 3.34Å; I398-T400 PolarHBondContact O-N 3.23Å; T400-M403 HydrophobicContact CG2-CE 3.83Å; T400-M403 PolarHBondContact O-N 2.7Å
401	Y	90.8	Very high	88.6	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-66.3	-37.4	171.8	176.6	-91.2	0	0	0	112.8	Q377 F378 I398 F399 M403 L404 R409 M412 L414 L436 P437 F550	Q377-Y401 HydrophobicContact CG-CD2 4.21Å; F378-Y401 HydrophobicContact CE2-CD2 4.3Å; I398-Y401 CarbonylContact O-C 3.55Å; I398-Y401 WeakPolarHBondContact O-CB 3.26Å; I398-Y401 PolarHBondContact O-N 3.32Å; I398-Y401 VanDerWaalsContact O-N 3.17Å; F399-Y401 VanDerWaalsContact C-N 3.31Å; F399-Y401 PolarHBondContact O-N 3.18Å; Y401-M403 PolarHBondContact O-N 2.96Å; Y401-L404 HydrophobicContact CD2-CD1 4.2Å; Y401-L404 WeakPolarHBondContact O-CB 3.41Å; Y401-L404 PolarHBondContact O-N 3.25Å; Y401-R409 HydrophobicContact CD1-CG 4.45Å; Y401-R409 HydrophobicContact CD2-CG 4.43Å; Y401-R409 HydrophobicContact CE1-CB 4.43Å; Y401-R409 HydrophobicContact CE1-CG 3.83Å; Y401-R409 HydrophobicContact CE2-CB 4.32Å; Y401-R409 HydrophobicContact CE2-CG 3.82Å; Y401-R409 VanDerWaalsContact CZ-CG 3.48Å; Y401-R409 WeakPolarHBondContact O-CD 3.43Å; Y401-R409 VanDerWaalsContact OH-CB 3.32Å; Y401-R409 WeakPolarHBondContact OH-CB 3.38Å; Y401-M412 HydrophobicContact CE2-SD 4.42Å; Y401-L414 HydrophobicContact CE2-CD1 4.21Å; Y401-L414 HydrophobicContact CE2-CD2 4.08Å; Y401-L436 HydrophobicContact CD1-CD1 3.9Å; Y401-L436 HydrophobicContact CD1-CD2 4.08Å; Y401-L436 HydrophobicContact CD1-CG 4.47Å; Y401-L436 HydrophobicContact CD2-CD1 4.4Å; Y401-L436 HydrophobicContact CE1-CB 4.04Å; Y401-L436 HydrophobicContact CE1-CD1 4.04Å; Y401-L436 HydrophobicContact CE1-CD2 3.91Å; Y401-L436 HydrophobicContact CE1-CG 4.23Å; Y401-L436 HydrophobicContact CG-CD1 4.09Å; Y401-P437 WeakPolarHBondContact OH-CB 3.43Å; Y401-P437 WeakPolarHBondContact OH-CD 2.73Å; Y401-P437 PolarHBondContact OH-O 3.3Å; Y401-F550 HydrophobicContact CD1-CE1 4.43Å; Y401-F550 HydrophobicContact CD1-CZ 4.33Å; Y401-F550 HydrophobicContact CE1-CE1 4.47Å
402	D	90.9	Very high	89.2	Confident	44 Å²	44	42.3 Å²	42.3	24%	0.235	23%	0.225	C	C	.	.	H	α-helix	trans	-65	-24.5	178.6	-173.7	43.5	0	0	0	113.2	I398 F399 L404 R409 F550 M552	I398-D402 PolarHBondContact O-N 3.34Å; F399-D402 PolarHBondContact O-N 3.47Å; D402-L404 PolarHBondContact O-N 2.82Å; D402-R409 IonicContact OD1-NH1 3.13Å; D402-R409 PolarHBondContact OD1-NH1 3.42Å; D402-F550 HydrophobicContact CB-CE1 4.01Å; D402-F550 HydrophobicContact CB-CZ 4.45Å; D402-F550 VanDerWaalsContact OD1-CE1 3.29Å; D402-F550 WeakPolarHBondContact OD1-CE1 3.49Å; D402-M552 HydrophobicContact CB-CG 3.75Å; D402-M552 VanDerWaalsContact CG-CG 3.44Å; D402-M552 WeakPolarHBondContact OD2-CG 3.49Å
403	M	88.3	Confident	89.9	Confident	93 Å²	93	39.1 Å²	39.1	46%	0.458	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-17.3	176.4	-64.1	-164.9	-75.3	0	0	113.5	E353 F399 T400 Y401	E353-M403 VanDerWaalsContact O-CE 3.29Å; E353-M403 WeakPolarHBondContact O-CE 3.33Å; F399-M403 HydrophobicContact CD1-CE 4.47Å; F399-M403 HydrophobicContact CE1-CE 4.32Å; F399-M403 HydrophobicContact CE1-SD 4.14Å; F399-M403 PolarHBondContact O-N 2.7Å; T400-M403 HydrophobicContact CG2-CE 3.83Å; T400-M403 PolarHBondContact O-N 2.7Å; Y401-M403 PolarHBondContact O-N 2.96Å
404	L	88.6	Confident	90.7	Very high	19 Å²	19	38.7 Å²	38.7	10%	0.099	20%	0.2	C	C	.	.	S	Bend	trans	-74.4	152.8	179.7	-62.2	175.5	0	0	0	112	Y401 D402 R409 M412	Y401-L404 HydrophobicContact CD2-CD1 4.2Å; Y401-L404 WeakPolarHBondContact O-CB 3.41Å; Y401-L404 PolarHBondContact O-N 3.25Å; D402-L404 PolarHBondContact O-N 2.82Å; L404-R409 HydrophobicContact CB-CG 3.75Å; L404-R409 HydrophobicContact CD1-CG 4.45Å; L404-R409 PolarHBondContact O-NE 3.37Å; L404-M412 HydrophobicContact CD1-CE 3.68Å; L404-M412 HydrophobicContact CD1-SD 3.67Å
405	S	90.6	Very high	91.2	Very high	54 Å²	54	37.2 Å²	37.2	38%	0.378	19%	0.192	S	C	.	.			trans	-62.3	156.4	176	84.5	0	0	0	0	111.2	Y407 D408 R409	S405-Y407 PolarHBondContact O-N 3.3Å; S405-Y407 PolarHBondContact OG-N 2.77Å; S405-D408 WeakPolarHBondContact CB-OD2 3.5Å; S405-D408 PolarHBondContact O-N 2.96Å; S405-D408 PolarHBondContact OG-N 3.1Å; S405-D408 VanDerWaalsContact OG-N 3.09Å; S405-D408 PolarHBondContact OG-OD1 2.98Å; S405-D408 PolarHBondContact OG-OD2 3.11Å; S405-R409 WeakPolarHBondContact O-CB 3.49Å; S405-R409 WeakPolarHBondContact O-CG 3.49Å; S405-R409 PolarHBondContact O-N 3.11Å; S405-R409 VanDerWaalsContact O-N 3.09Å; S405-R409 PolarHBondContact O-NE 3.34Å
406	V	92.4	Very high	91.8	Very high	85 Å²	85	34 Å²	34	52%	0.515	18%	0.175	S	C	.	.	H	α-helix	trans	-61.5	-35.1	175.7	176.5	0	0	0	0	111	N410	V406-N410 WeakPolarHBondContact CG1-ND2 3.47Å; V406-N410 WeakPolarHBondContact O-CB 3.24Å; V406-N410 PolarHBondContact O-N 2.87Å; V406-N410 PolarHBondContact O-ND2 2.74Å
407	Y	91.8	Very high	92.3	Very high	106 Å²	106	33.4 Å²	33.4	42%	0.416	17%	0.172	S	C	.	.	H	α-helix	trans	-65.3	-48.8	178.5	177	-100.3	0	0	0	111.6	L362 S405 N410 S411	L362-Y407 HydrophobicContact CB-CE1 4.16Å; L362-Y407 HydrophobicContact CD1-CD1 4.3Å; L362-Y407 HydrophobicContact CD1-CE1 3.76Å; S405-Y407 PolarHBondContact O-N 3.3Å; S405-Y407 PolarHBondContact OG-N 2.77Å; Y407-N410 PolarHBondContact O-N 3.05Å; Y407-S411 WeakPolarHBondContact O-CB 3.27Å; Y407-S411 PolarHBondContact O-N 2.99Å; Y407-S411 PolarHBondContact O-OG 3.1Å
408	D	91.7	Very high	92.8	Very high	36 Å²	36	31.5 Å²	31.5	19%	0.193	16%	0.162	C	C	.	.	H	α-helix	trans	-62.8	-48.8	-179	-57.1	-31.2	0	0	0	110.7	M359 S405 N410 S411 M412	M359-D408 HydrophobicContact CG-CB 4.19Å; M359-D408 HydrophobicContact SD-CB 4.02Å; S405-D408 WeakPolarHBondContact CB-OD2 3.5Å; S405-D408 PolarHBondContact O-N 2.96Å; S405-D408 PolarHBondContact OG-N 3.1Å; S405-D408 VanDerWaalsContact OG-N 3.09Å; S405-D408 PolarHBondContact OG-OD1 2.98Å; S405-D408 PolarHBondContact OG-OD2 3.11Å; D408-N410 PolarHBondContact O-N 3.07Å; D408-N410 VanDerWaalsContact O-N 3.16Å; D408-S411 CarbonylContact O-C 3.57Å; D408-S411 WeakPolarHBondContact O-CA 3.43Å; D408-S411 PolarHBondContact O-N 3.47Å; D408-M412 WeakPolarHBondContact O-CG 3.36Å; D408-M412 PolarHBondContact O-N 3.16Å
409	R	93.9	Very high	92.7	Very high	24 Å²	24	32.1 Å²	32.1	9%	0.091	17%	0.165	C	C	.	.	H	α-helix	trans	-53.4	-39.7	177.8	-77	-170.4	-72.9	-166.2	-2.6	113.2	Y401 D402 L404 S405 S411 P437 G438	Y401-R409 HydrophobicContact CD1-CG 4.45Å; Y401-R409 HydrophobicContact CD2-CG 4.43Å; Y401-R409 HydrophobicContact CE1-CB 4.43Å; Y401-R409 HydrophobicContact CE1-CG 3.83Å; Y401-R409 HydrophobicContact CE2-CB 4.32Å; Y401-R409 HydrophobicContact CE2-CG 3.82Å; Y401-R409 VanDerWaalsContact CZ-CG 3.48Å; Y401-R409 WeakPolarHBondContact O-CD 3.43Å; Y401-R409 VanDerWaalsContact OH-CB 3.32Å; Y401-R409 WeakPolarHBondContact OH-CB 3.38Å; D402-R409 IonicContact OD1-NH1 3.13Å; D402-R409 PolarHBondContact OD1-NH1 3.42Å; L404-R409 HydrophobicContact CB-CG 3.75Å; L404-R409 HydrophobicContact CD1-CG 4.45Å; L404-R409 PolarHBondContact O-NE 3.37Å; S405-R409 WeakPolarHBondContact O-CB 3.49Å; S405-R409 WeakPolarHBondContact O-CG 3.49Å; S405-R409 PolarHBondContact O-N 3.11Å; S405-R409 VanDerWaalsContact O-N 3.09Å; S405-R409 PolarHBondContact O-NE 3.34Å; R409-S411 VanDerWaalsContact C-N 3.28Å; R409-S411 PolarHBondContact O-N 3Å; R409-P437 CarbonylContact O-C 3.54Å; R409-G438 WeakPolarHBondContact O-CA 3.38Å; R409-G438 PolarHBondContact O-N 3.41Å
410	N	95.2	Very high	92.8	Very high	55 Å²	55	27.5 Å²	27.5	29%	0.294	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-7.9	179.1	-74.3	-47.5	0	0	0	114	R99 V406 Y407 D408 P437	R99-N410 PolarHBondContact NE-O 3.26Å; R99-N410 PolarHBondContact NH2-O 3.08Å; V406-N410 WeakPolarHBondContact CG1-ND2 3.47Å; V406-N410 WeakPolarHBondContact O-CB 3.24Å; V406-N410 PolarHBondContact O-N 2.87Å; V406-N410 PolarHBondContact O-ND2 2.74Å; Y407-N410 PolarHBondContact O-N 3.05Å; D408-N410 PolarHBondContact O-N 3.07Å; D408-N410 VanDerWaalsContact O-N 3.16Å; N410-P437 WeakPolarHBondContact OD1-CB 3.39Å
411	S	96.2	Very high	93.1	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.014	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.1	14.6	-176.5	-49.1	0	0	0	0	112.1	R99 V372 V373 Y407 D408 R409	R99-S411 PolarHBondContact NH2-OG 2.86Å; V372-S411 CarbonylContact C-O 3.24Å; V372-S411 WeakPolarHBondContact CA-O 3.33Å; V373-S411 PolarHBondContact N-O 3.04Å; Y407-S411 WeakPolarHBondContact O-CB 3.27Å; Y407-S411 PolarHBondContact O-N 2.99Å; Y407-S411 PolarHBondContact O-OG 3.1Å; D408-S411 CarbonylContact O-C 3.57Å; D408-S411 WeakPolarHBondContact O-CA 3.43Å; D408-S411 PolarHBondContact O-N 3.47Å; R409-S411 VanDerWaalsContact C-N 3.28Å; R409-S411 PolarHBondContact O-N 3Å
412	M	95.9	Very high	93.1	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	144.4	169.8	-76	177.6	139.5	0	0	111.3	D356 M359 V373 S375 Y401 L404 D408 L414 G438 T439	D356-M412 HydrophobicContact CB-CE 4.13Å; D356-M412 VanDerWaalsContact OD2-CE 3.29Å; D356-M412 WeakPolarHBondContact OD2-CE 3.35Å; M359-M412 HydrophobicContact CE-CE 3.34Å; M359-M412 HydrophobicContact CE-CG 3.77Å; M359-M412 HydrophobicContact CE-SD 4.41Å; M359-M412 HydrophobicContact CG-CE 4.45Å; M359-M412 HydrophobicContact SD-CE 3.71Å; M359-M412 HydrophobicContact SD-CG 3.69Å; M359-M412 HydrophobicContact SD-SD 4.36Å; V373-M412 CarbonylContact O-C 3.46Å; V373-M412 VanDerWaalsContact O-CA 3.29Å; V373-M412 WeakPolarHBondContact O-CA 3.19Å; S375-M412 WeakPolarHBondContact OG-CE 3.04Å; Y401-M412 HydrophobicContact CE2-SD 4.42Å; L404-M412 HydrophobicContact CD1-CE 3.68Å; L404-M412 HydrophobicContact CD1-SD 3.67Å; D408-M412 WeakPolarHBondContact O-CG 3.36Å; D408-M412 PolarHBondContact O-N 3.16Å; M412-L414 HydrophobicContact CB-CD2 4.02Å; M412-L414 HydrophobicContact SD-CD2 4.32Å; M412-G438 CarbonylContact O-C 3.56Å; M412-G438 WeakPolarHBondContact O-CA 3.33Å; M412-T439 PolarHBondContact O-N 2.85Å
413	A	98.4	Very high	93.2	Very high	4 Å²	4	25.5 Å²	25.5	3%	0.033	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	111.2	157.9	0	0	0	0	0	108.2	V372 V373 V374 S375 T439 L441	V372-A413 HydrophobicContact CG1-CB 3.5Å; V372-A413 VanDerWaalsContact CG1-CB 3.5Å; V372-A413 VanDerWaalsContact CG1-N 3.27Å; V373-A413 PolarHBondContact O-N 3.41Å; V374-A413 HydrophobicContact CG2-CB 4.2Å; S375-A413 PolarHBondContact N-O 3.05Å; A413-T439 CarbonylContact C-O 3.57Å; A413-T439 VanDerWaalsContact CA-O 3.31Å; A413-T439 WeakPolarHBondContact CA-O 3.47Å; A413-T439 HydrophobicContact CB-CG2 4.32Å; A413-L441 HydrophobicContact CB-CB 4.45Å; A413-L441 HydrophobicContact CB-CD2 4.43Å
414	L	98.2	Very high	93.4	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.005	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	127.4	180	-57.9	-178	0	0	0	109.6	F378 Y401 M412 T433 L436 P437 T439 L441	F378-L414 HydrophobicContact CD2-CB 4.48Å; F378-L414 HydrophobicContact CD2-CD1 4.5Å; F378-L414 HydrophobicContact CD2-CD2 4.22Å; F378-L414 HydrophobicContact CE2-CD1 4.16Å; F378-L414 HydrophobicContact CE2-CD2 4.18Å; Y401-L414 HydrophobicContact CE2-CD1 4.21Å; Y401-L414 HydrophobicContact CE2-CD2 4.08Å; M412-L414 HydrophobicContact CB-CD2 4.02Å; M412-L414 HydrophobicContact SD-CD2 4.32Å; L414-T433 HydrophobicContact CB-CG2 4.23Å; L414-L436 HydrophobicContact CD1-CB 3.81Å; L414-L436 HydrophobicContact CD1-CD1 4.48Å; L414-P437 WeakPolarHBondContact CD1-O 2.92Å; L414-T439 PolarHBondContact N-O 3.49Å; L414-L441 PolarHBondContact O-N 2.76Å
415	T	98	Very high	93.5	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.012	14%	0.136	C	C	.	.			trans	-143.4	158.5	175.7	-162.4	0	0	0	0	111.3	V374 F378 V379 A417 L441	V374-T415 HydrophobicContact CG1-CG2 4.17Å; F378-T415 CarbonylContact C-O 3.52Å; V379-T415 HydrophobicContact CG1-CG2 4.07Å; V379-T415 PolarHBondContact N-O 3.15Å; T415-A417 VanDerWaalsContact CG2-O 3.29Å; T415-A417 WeakPolarHBondContact CG2-O 3.39Å; T415-A417 PolarHBondContact OG1-O 3.48Å; T415-L441 WeakPolarHBondContact CA-O 3.29Å; T415-L441 WeakPolarHBondContact CB-O 3.42Å; T415-L441 PolarHBondContact OG1-O 3.32Å
416	A	96.5	Very high	93.6	Very high	6 Å²	6	22.7 Å²	22.7	5%	0.05	12%	0.122	C	C	.	.	S	Bend	trans	-106.1	-8.6	178.2	0	0	0	0	0	113	Q424 L430 T433	A416-Q424 PolarHBondContact O-NE2 2.74Å; A416-L430 HydrophobicContact CB-CD1 4.19Å; A416-T433 HydrophobicContact CB-CG2 4.39Å
417	A	95.9	Very high	93.7	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.1	C	C	.	.			trans	-155.1	160.7	176.5	0	0	0	0	0	109.5	T415 D421 R423 Y443	T415-A417 VanDerWaalsContact CG2-O 3.29Å; T415-A417 WeakPolarHBondContact CG2-O 3.39Å; T415-A417 PolarHBondContact OG1-O 3.48Å; A417-D421 CarbonylContact C-O 3.56Å; A417-D421 VanDerWaalsContact CA-O 3.31Å; A417-D421 WeakPolarHBondContact CA-O 3.3Å; A417-D421 WeakPolarHBondContact CB-O 3.15Å; A417-R423 HydrophobicContact CB-CG 4.23Å; A417-Y443 HydrophobicContact CB-CD1 4.17Å; A417-Y443 HydrophobicContact CB-CG 4.4Å; A417-Y443 WeakPolarHBondContact O-CB 3.39Å
418	S	94	Very high	93.8	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.007	8%	0.081	C	C	.	.			trans	-147.8	-171.6	-178.2	75.8	0	0	0	0	110.3	T420 D421 S481	S418-T420 PolarHBondContact O-N 3Å; S418-T420 PolarHBondContact OG-N 3.27Å; S418-T420 VanDerWaalsContact OG-N 3.16Å; S418-T420 PolarHBondContact OG-OG1 3.1Å; S418-D421 PolarHBondContact N-O 2.91Å; S418-D421 VanDerWaalsContact OG-CB 3.3Å; S418-D421 WeakPolarHBondContact OG-CB 3.34Å; S418-D421 PolarHBondContact OG-N 3.33Å; S418-D421 PolarHBondContact OG-OD2 2.74Å; S418-S481 WeakPolarHBondContact O-CB 3.41Å
419	T	89.3	Confident	94	Very high	12 Å²	12	12.6 Å²	12.6	7%	0.074	7%	0.073	C	C	.	.	S	Bend	trans	-64.8	-15.4	172.1	51.1	0	0	0	0	113.9	W105 T144 Y443 S481	W105-T419 HydrophobicContact CZ2-CG2 3.78Å; T144-T419 HydrophobicContact CG2-CG2 3.58Å; T419-Y443 HydrophobicContact CG2-CE2 4.06Å; T419-S481 VanDerWaalsContact O-CB 3.3Å; T419-S481 WeakPolarHBondContact O-CB 3.48Å
420	T	87.3	Confident	94.1	Very high	16 Å²	16	11.8 Å²	11.8	10%	0.098	7%	0.07	C	C	.	.	S	Bend	trans	-131.8	-4.4	-177.8	58.1	0	0	0	0	113.7	N346 K385 S418 V478	N346-T420 HydrophobicContact CB-CG2 3.82Å; K385-T420 PolarHBondContact NZ-O 2.66Å; S418-T420 PolarHBondContact O-N 3Å; S418-T420 PolarHBondContact OG-N 3.27Å; S418-T420 VanDerWaalsContact OG-N 3.16Å; S418-T420 PolarHBondContact OG-OG1 3.1Å; T420-V478 HydrophobicContact CG2-CG2 3.97Å
421	D	90.9	Very high	94.2	Very high	2 Å²	2	9.2 Å²	9.2	1%	0.011	6%	0.056	C	C	.	.	S	Bend	trans	-115.3	108	175.6	-63.6	-62.7	0	0	0	109.5	R376 V379 K385 A417 S418 S481	R376-D421 IonicContact NE-OD2 2.64Å; R376-D421 IonicContact NH2-OD2 3.95Å; V379-D421 HydrophobicContact CB-CB 3.93Å; V379-D421 HydrophobicContact CG1-CB 4.11Å; V379-D421 HydrophobicContact CG2-CB 4.18Å; K385-D421 IonicContact NZ-OD1 3.42Å; K385-D421 PolarHBondContact NZ-OD1 3Å; A417-D421 CarbonylContact C-O 3.56Å; A417-D421 VanDerWaalsContact CA-O 3.31Å; A417-D421 WeakPolarHBondContact CA-O 3.3Å; A417-D421 WeakPolarHBondContact CB-O 3.15Å; S418-D421 PolarHBondContact N-O 2.91Å; S418-D421 VanDerWaalsContact OG-CB 3.3Å; S418-D421 WeakPolarHBondContact OG-CB 3.34Å; S418-D421 PolarHBondContact OG-N 3.33Å; S418-D421 PolarHBondContact OG-OD2 2.74Å; D421-S481 VanDerWaalsContact C-OG 3.22Å; D421-S481 PolarHBondContact N-OG 3.31Å
422	P	90.9	Very high	94.3	Very high	7 Å²	7	9.1 Å²	9.1	5%	0.045	6%	0.056	C	C	.	.			trans	-66.9	157.4	-169.9	25.4	-34.2	0	0	0	111.9	D477 L480 S481	P422-D477 HydrophobicContact CG-CB 4.5Å; P422-L480 HydrophobicContact CB-CB 3.92Å; P422-S481 VanDerWaalsContact CA-OG 3.31Å; P422-S481 WeakPolarHBondContact CA-OG 3.18Å; P422-S481 VanDerWaalsContact N-OG 3.1Å
423	R	92.8	Very high	94.3	Very high	11 Å²	11	9.2 Å²	9.2	4%	0.042	6%	0.056	C	C	.	.			trans	-58.2	142.6	175.1	-60.9	-172.6	-60.8	-139.7	0.2	110.5	A417 G445 E450 E451 T452	A417-R423 HydrophobicContact CB-CG 4.23Å; R423-G445 VanDerWaalsContact CD-C 3.46Å; R423-E450 WeakPolarHBondContact CB-O 3.39Å; R423-E451 WeakPolarHBondContact O-CA 3.47Å; R423-T452 HydrophobicContact CB-CG2 4.39Å; R423-T452 PolarHBondContact N-OG1 3.23Å; R423-T452 PolarHBondContact O-N 3.47Å; R423-T452 VanDerWaalsContact O-N 3.1Å; R423-T452 PolarHBondContact O-OG1 2.88Å
424	Q	92	Very high	94.3	Very high	24 Å²	24	9 Å²	9	11%	0.112	6%	0.055	C	C	.	.			trans	-129.9	154.3	-179.4	63.7	-179.1	-43.3	0	0	110.5	F378 V379 K380 A416 D426	F378-Q424 PolarHBondContact O-NE2 2.92Å; V379-Q424 VanDerWaalsContact C-NE2 3.32Å; K380-Q424 HydrophobicContact CB-CB 4.39Å; K380-Q424 VanDerWaalsContact N-NE2 3.12Å; A416-Q424 PolarHBondContact O-NE2 2.74Å; Q424-D426 HydrophobicContact CG-CB 4.07Å; Q424-D426 PolarHBondContact O-N 3.43Å
425	S	91.7	Very high	94.3	Very high	67 Å²	67	9 Å²	9	47%	0.469	5%	0.054	S	C	.	.			trans	-92.8	69.7	173.6	-159.2	0	0	0	0	110.3	N449	S425-N449 WeakPolarHBondContact CB-O 3.29Å; S425-N449 PolarHBondContact OG-ND2 3.37Å; S425-N449 PolarHBondContact OG-O 3.11Å
426	D	93.3	Very high	94.3	Very high	15 Å²	15	8.9 Å²	8.9	8%	0.08	5%	0.054	C	C	.	.			trans	-131.5	87.8	178.6	-171.5	-13.8	0	0	0	110.8	N396 Q424 V428 A429 L430 N449 K583	N396-D426 PolarHBondContact ND2-OD2 3.09Å; Q424-D426 HydrophobicContact CG-CB 4.07Å; Q424-D426 PolarHBondContact O-N 3.43Å; D426-V428 PolarHBondContact O-N 3.49Å; D426-V428 PolarHBondContact OD1-N 2.92Å; D426-A429 HydrophobicContact CB-CB 3.96Å; D426-A429 VanDerWaalsContact CG-CB 3.4Å; D426-A429 PolarHBondContact O-N 2.74Å; D426-A429 PolarHBondContact OD1-N 3.13Å; D426-A429 WeakPolarHBondContact OD2-CB 3.41Å; D426-L430 WeakPolarHBondContact O-CB 3.32Å; D426-L430 PolarHBondContact O-N 3.08Å; D426-N449 PolarHBondContact N-OD1 3.09Å; D426-N449 VanDerWaalsContact N-OD1 3.11Å; D426-K583 WeakPolarHBondContact OD2-CE 3.5Å; D426-K583 IonicContact OD2-NZ 2.66Å; D426-K583 PolarHBondContact OD2-NZ 3.17Å
427	L	93.1	Very high	94.3	Very high	10 Å²	10	8.8 Å²	8.8	5%	0.052	5%	0.053	C	C	.	.	H	α-helix	trans	-61.4	-31	-178.9	-73.6	176.5	0	0	0	113.3	A431 N449 L532 Y607 P632 I634	L427-A431 WeakPolarHBondContact O-CB 3.41Å; L427-A431 PolarHBondContact O-N 3.3Å; L427-N449 HydrophobicContact CD2-CB 3.68Å; L427-N449 WeakPolarHBondContact CD2-OD1 3.27Å; L427-N449 HydrophobicContact CG-CB 4.43Å; L427-N449 WeakPolarHBondContact CG-ND2 3.37Å; L427-N449 PolarHBondContact N-OD1 2.71Å; L427-L532 HydrophobicContact CD1-CD2 4.45Å; L427-L532 HydrophobicContact CD2-CD2 4.27Å; L427-Y607 HydrophobicContact CD1-CD1 4.29Å; L427-Y607 HydrophobicContact CD1-CE1 3.43Å; L427-Y607 VanDerWaalsContact CD1-CE1 3.43Å; L427-Y607 HydrophobicContact CD1-CE2 4.46Å; L427-Y607 WeakPolarHBondContact CD1-OH 3.31Å; L427-P632 HydrophobicContact CD1-CG 4.31Å; L427-I634 HydrophobicContact CB-CD1 3.88Å; L427-I634 WeakPolarHBondContact O-CD1 3.32Å
428	V	94.4	Very high	94.4	Very high	4 Å²	4	9.2 Å²	9.2	2%	0.024	6%	0.057	C	C	.	.	H	α-helix	trans	-74.2	-43.3	-178.9	172.9	0	0	0	0	110.2	D426 L430 A431 S432 L581 R582 K583 P632 I634	D426-V428 PolarHBondContact O-N 3.49Å; D426-V428 PolarHBondContact OD1-N 2.92Å; V428-L430 VanDerWaalsContact C-N 3.34Å; V428-A431 PolarHBondContact O-N 2.87Å; V428-S432 WeakPolarHBondContact O-CB 3.34Å; V428-S432 PolarHBondContact O-N 3.16Å; V428-S432 PolarHBondContact O-OG 2.7Å; V428-L581 HydrophobicContact CG1-CB 3.94Å; V428-L581 HydrophobicContact CG1-CD1 4.32Å; V428-L581 HydrophobicContact CG1-CD2 4.47Å; V428-L581 HydrophobicContact CG1-CG 4.46Å; V428-R582 WeakPolarHBondContact CG2-O 3.47Å; V428-K583 HydrophobicContact CB-CB 4.13Å; V428-K583 HydrophobicContact CG1-CB 4.21Å; V428-K583 HydrophobicContact CG2-CB 4.25Å; V428-P632 HydrophobicContact CG2-CB 3.98Å; V428-I634 HydrophobicContact CG2-CG1 4.24Å
429	A	95.5	Very high	94.6	Very high	2 Å²	2	9.3 Å²	9.3	2%	0.017	6%	0.058	C	C	.	.	H	α-helix	trans	-59.7	-46.9	172.2	0	0	0	0	0	110.9	F378 D426 A431 S432 T433	F378-A429 HydrophobicContact CB-CB 4.2Å; F378-A429 HydrophobicContact CD1-CB 4.27Å; D426-A429 HydrophobicContact CB-CB 3.96Å; D426-A429 VanDerWaalsContact CG-CB 3.4Å; D426-A429 PolarHBondContact O-N 2.74Å; D426-A429 PolarHBondContact OD1-N 3.13Å; D426-A429 WeakPolarHBondContact OD2-CB 3.41Å; A429-A431 PolarHBondContact O-N 2.9Å; A429-S432 WeakPolarHBondContact O-CB 3.42Å; A429-S432 PolarHBondContact O-N 3.43Å; A429-T433 WeakPolarHBondContact O-CG2 3.38Å; A429-T433 PolarHBondContact O-N 3.44Å
430	L	96.2	Very high	95	Very high	7 Å²	7	8.8 Å²	8.8	4%	0.037	5%	0.054	C	C	.	.	H	α-helix	trans	-59.8	-48.5	177.4	-176.4	57	0	0	0	111.9	A416 D426 V428 S432 T433 F434 L442 S446 V533	A416-L430 HydrophobicContact CB-CD1 4.19Å; D426-L430 WeakPolarHBondContact O-CB 3.32Å; D426-L430 PolarHBondContact O-N 3.08Å; V428-L430 VanDerWaalsContact C-N 3.34Å; L430-S432 VanDerWaalsContact C-N 3.3Å; L430-S432 PolarHBondContact O-N 3.4Å; L430-T433 WeakPolarHBondContact O-CB 3.27Å; L430-T433 PolarHBondContact O-N 3.06Å; L430-T433 PolarHBondContact O-OG1 3.43Å; L430-F434 HydrophobicContact CD1-CE2 3.86Å; L430-F434 HydrophobicContact CD1-CZ 4.29Å; L430-F434 HydrophobicContact CG-CE2 4.02Å; L430-F434 WeakPolarHBondContact O-CD2 3.3Å; L430-F434 WeakPolarHBondContact O-CE2 3.47Å; L430-L442 HydrophobicContact CD1-CD1 3.97Å; L430-S446 WeakPolarHBondContact CD2-O 3.35Å; L430-V533 HydrophobicContact CD2-CG2 3.58Å; L430-V533 HydrophobicContact CG-CG2 4.21Å
431	A	97.5	Very high	95.6	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-61.7	-37.1	177.2	0	0	0	0	0	112.9	L427 V428 A429 T433 F434 L435 L536 L581 I634	L427-A431 WeakPolarHBondContact O-CB 3.41Å; L427-A431 PolarHBondContact O-N 3.3Å; V428-A431 PolarHBondContact O-N 2.87Å; A429-A431 PolarHBondContact O-N 2.9Å; A431-T433 PolarHBondContact O-N 2.89Å; A431-F434 PolarHBondContact O-N 3.34Å; A431-L435 HydrophobicContact CB-CD1 4.33Å; A431-L435 WeakPolarHBondContact O-CG 3.13Å; A431-L435 PolarHBondContact O-N 2.96Å; A431-L435 VanDerWaalsContact O-N 3.11Å; A431-L536 HydrophobicContact CB-CD1 3.75Å; A431-L536 HydrophobicContact CB-CD2 4.27Å; A431-L581 HydrophobicContact CB-CD2 4.49Å; A431-I634 HydrophobicContact CB-CD1 3.7Å; A431-I634 HydrophobicContact CB-CG1 4.05Å; A431-I634 HydrophobicContact CB-CG2 4.04Å
432	S	97.6	Very high	95.9	Very high	1 Å²	1	8.3 Å²	8.3	1%	0.007	5%	0.051	C	C	.	.	H	α-helix	trans	-59.2	-36.5	177.2	-61.2	0	0	0	0	111.7	V428 A429 L430 F434 L435 L436	V428-S432 WeakPolarHBondContact O-CB 3.34Å; V428-S432 PolarHBondContact O-N 3.16Å; V428-S432 PolarHBondContact O-OG 2.7Å; A429-S432 WeakPolarHBondContact O-CB 3.42Å; A429-S432 PolarHBondContact O-N 3.43Å; L430-S432 VanDerWaalsContact C-N 3.3Å; L430-S432 PolarHBondContact O-N 3.4Å; S432-F434 PolarHBondContact O-N 2.61Å; S432-L435 PolarHBondContact O-N 2.86Å; S432-L436 WeakPolarHBondContact O-CB 3.49Å; S432-L436 WeakPolarHBondContact O-CG 3.47Å; S432-L436 PolarHBondContact O-N 3.22Å; S432-L436 VanDerWaalsContact O-N 3.07Å
433	T	97.2	Very high	96.3	Very high	1 Å²	1	8 Å²	8	1%	0.006	5%	0.049	C	C	.	.	H	α-helix	trans	-61.4	-24.5	176.9	75.7	0	0	0	0	113.9	F378 L414 A416 A429 L430 A431 S440	F378-T433 HydrophobicContact CB-CG2 4.12Å; F378-T433 HydrophobicContact CD2-CG2 4.41Å; F378-T433 HydrophobicContact CG-CG2 4.49Å; L414-T433 HydrophobicContact CB-CG2 4.23Å; A416-T433 HydrophobicContact CB-CG2 4.39Å; A429-T433 WeakPolarHBondContact O-CG2 3.38Å; A429-T433 PolarHBondContact O-N 3.44Å; L430-T433 WeakPolarHBondContact O-CB 3.27Å; L430-T433 PolarHBondContact O-N 3.06Å; L430-T433 PolarHBondContact O-OG1 3.43Å; A431-T433 PolarHBondContact O-N 2.89Å; T433-S440 VanDerWaalsContact O-CB 3.27Å; T433-S440 WeakPolarHBondContact O-CB 3.17Å; T433-S440 PolarHBondContact O-OG 3.07Å
434	F	98.1	Very high	96.5	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-95.6	-30.6	178.9	-57.4	-72.8	0	0	0	112.9	T102 L430 A431 S432 S440 L442 V533 L536 V537 R540	T102-F434 HydrophobicContact CG2-CD1 4.42Å; T102-F434 HydrophobicContact CG2-CE1 3.86Å; L430-F434 HydrophobicContact CD1-CE2 3.86Å; L430-F434 HydrophobicContact CD1-CZ 4.29Å; L430-F434 HydrophobicContact CG-CE2 4.02Å; L430-F434 WeakPolarHBondContact O-CD2 3.3Å; L430-F434 WeakPolarHBondContact O-CE2 3.47Å; A431-F434 PolarHBondContact O-N 3.34Å; S432-F434 PolarHBondContact O-N 2.61Å; F434-S440 WeakPolarHBondContact CD1-OG 3.44Å; F434-S440 WeakPolarHBondContact CE1-OG 3.48Å; F434-L442 HydrophobicContact CE1-CB 4.49Å; F434-L442 HydrophobicContact CZ-CB 4.32Å; F434-L442 HydrophobicContact CZ-CD1 4.24Å; F434-L442 HydrophobicContact CZ-CD2 4.37Å; F434-V533 HydrophobicContact CE2-CG1 4.22Å; F434-V533 HydrophobicContact CZ-CG1 3.99Å; F434-L536 HydrophobicContact CB-CB 4.05Å; F434-L536 HydrophobicContact CD2-CB 3.86Å; F434-L536 HydrophobicContact CD2-CD1 4.08Å; F434-L536 HydrophobicContact CG-CB 4Å; F434-V537 HydrophobicContact CD1-CG2 3.85Å; F434-V537 HydrophobicContact CE1-CG2 3.49Å; F434-V537 VanDerWaalsContact CE1-CG2 3.49Å; F434-V537 HydrophobicContact CZ-CG2 4.09Å; F434-R540 VanDerWaalsContact O-CD 3.3Å; F434-R540 WeakPolarHBondContact O-CD 3.43Å; F434-R540 WeakPolarHBondContact O-CG 3.22Å; F434-R540 PolarHBondContact O-NH1 2.94Å
435	L	98.4	Very high	96.7	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-96.4	-19.8	-169.5	-63.1	171.6	0	0	0	113.7	A431 S432 L536 I539 L545 F567 R569 V579 I634 V636	A431-L435 HydrophobicContact CB-CD1 4.33Å; A431-L435 WeakPolarHBondContact O-CG 3.13Å; A431-L435 PolarHBondContact O-N 2.96Å; A431-L435 VanDerWaalsContact O-N 3.11Å; S432-L435 PolarHBondContact O-N 2.86Å; L435-L536 HydrophobicContact CD1-CD2 3.77Å; L435-L536 HydrophobicContact CD2-CD2 3.94Å; L435-L536 HydrophobicContact CG-CD2 3.87Å; L435-I539 HydrophobicContact CD2-CG2 4.27Å; L435-L545 HydrophobicContact CD2-CD1 4.42Å; L435-L545 HydrophobicContact CD2-CD2 4.49Å; L435-F567 HydrophobicContact CB-CE2 4.47Å; L435-F567 HydrophobicContact CB-CZ 3.84Å; L435-R569 PolarHBondContact O-NH1 3.19Å; L435-V579 HydrophobicContact CB-CG2 4.44Å; L435-V579 HydrophobicContact CD1-CG1 3.71Å; L435-V579 HydrophobicContact CD1-CG2 4.32Å; L435-V579 HydrophobicContact CD2-CG2 4.41Å; L435-I634 HydrophobicContact CD1-CG2 4.42Å; L435-V636 HydrophobicContact CD1-CG2 3.85Å; L435-V636 HydrophobicContact CD2-CG2 3.96Å
436	L	98	Very high	96.9	Very high	0 Å²	0	3.7 Å²	3.7	0%	0	2%	0.023	C	C	.	.	S	Bend	trans	-87.3	161.4	177.8	-66.2	172.4	0	0	0	112.5	F378 I398 Y401 L414 S432 R540 F550 F567 R569	F378-L436 HydrophobicContact CE1-CD1 4.38Å; F378-L436 HydrophobicContact CE2-CD1 3.53Å; F378-L436 HydrophobicContact CZ-CD1 3.29Å; I398-L436 HydrophobicContact CD1-CD1 4.42Å; I398-L436 HydrophobicContact CD1-CD2 4.41Å; I398-L436 HydrophobicContact CG1-CD1 4.24Å; I398-L436 HydrophobicContact CG2-CD2 4.12Å; Y401-L436 HydrophobicContact CD1-CD1 3.9Å; Y401-L436 HydrophobicContact CD1-CD2 4.08Å; Y401-L436 HydrophobicContact CD1-CG 4.47Å; Y401-L436 HydrophobicContact CD2-CD1 4.4Å; Y401-L436 HydrophobicContact CE1-CB 4.04Å; Y401-L436 HydrophobicContact CE1-CD1 4.04Å; Y401-L436 HydrophobicContact CE1-CD2 3.91Å; Y401-L436 HydrophobicContact CE1-CG 4.23Å; Y401-L436 HydrophobicContact CG-CD1 4.09Å; L414-L436 HydrophobicContact CD1-CB 3.81Å; L414-L436 HydrophobicContact CD1-CD1 4.48Å; S432-L436 WeakPolarHBondContact O-CB 3.49Å; S432-L436 WeakPolarHBondContact O-CG 3.47Å; S432-L436 PolarHBondContact O-N 3.22Å; S432-L436 VanDerWaalsContact O-N 3.07Å; L436-R540 PolarHBondContact O-NH1 3.15Å; L436-R540 VanDerWaalsContact O-NH1 3.09Å; L436-F550 HydrophobicContact CD2-CD2 3.71Å; L436-F550 HydrophobicContact CD2-CE2 3.25Å; L436-F550 HydrophobicContact CD2-CZ 3.99Å; L436-F567 HydrophobicContact CD2-CD1 4.44Å; L436-F567 HydrophobicContact CD2-CD2 4.48Å; L436-F567 HydrophobicContact CD2-CE1 3.98Å; L436-F567 HydrophobicContact CD2-CE2 4.02Å; L436-F567 HydrophobicContact CD2-CZ 3.73Å; L436-F567 HydrophobicContact CG-CZ 4.33Å; L436-R569 PolarHBondContact O-NH1 3.43Å
437	P	97.4	Very high	97	Very high	5 Å²	5	3 Å²	3	3%	0.032	2%	0.019	C	C	.	.	S	Bend	trans	-58.2	156.2	167	-19.4	29.8	0	0	0	112.8	Y401 R409 N410 L414 F550	Y401-P437 WeakPolarHBondContact OH-CB 3.43Å; Y401-P437 WeakPolarHBondContact OH-CD 2.73Å; Y401-P437 PolarHBondContact OH-O 3.3Å; R409-P437 CarbonylContact O-C 3.54Å; N410-P437 WeakPolarHBondContact OD1-CB 3.39Å; L414-P437 WeakPolarHBondContact CD1-O 2.92Å; P437-F550 HydrophobicContact CG-CB 3.43Å; P437-F550 VanDerWaalsContact CG-CB 3.43Å; P437-F550 HydrophobicContact CG-CG 4.16Å
438	G	96.7	Very high	97.1	Very high	8 Å²	8	2.8 Å²	2.8	8%	0.082	2%	0.018	C	C	.	.	S	Bend	trans	107.6	175.9	-174.5	0	0	0	0	0	112.2	R409 M412 R540	R409-G438 WeakPolarHBondContact O-CA 3.38Å; R409-G438 PolarHBondContact O-N 3.41Å; M412-G438 CarbonylContact O-C 3.56Å; M412-G438 WeakPolarHBondContact O-CA 3.33Å; G438-R540 PolarHBondContact O-NH2 3.33Å
439	T	98.4	Very high	97.1	Very high	4 Å²	4	3.2 Å²	3.2	3%	0.025	2%	0.02	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	129.5	176.1	-62	0	0	0	0	109.1	W98 F140 M412 A413 L414	W98-T439 HydrophobicContact CB-CG2 4.33Å; W98-T439 VanDerWaalsContact O-CG2 3.26Å; W98-T439 WeakPolarHBondContact O-CG2 3.3Å; W98-T439 PolarHBondContact O-OG1 3.19Å; F140-T439 HydrophobicContact CE1-CG2 4.41Å; F140-T439 HydrophobicContact CZ-CG2 3.79Å; M412-T439 PolarHBondContact O-N 2.85Å; A413-T439 CarbonylContact C-O 3.57Å; A413-T439 VanDerWaalsContact CA-O 3.31Å; A413-T439 WeakPolarHBondContact CA-O 3.47Å; A413-T439 HydrophobicContact CB-CG2 4.32Å; L414-T439 PolarHBondContact N-O 3.49Å
440	S	98.5	Very high	97	Very high	0 Å²	0	4.5 Å²	4.5	0%	0	3%	0.026	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	124.3	175.5	174	0	0	0	0	109.5	T102 G103 T433 F434	T102-S440 PolarHBondContact OG1-OG 3.35Å; G103-S440 PolarHBondContact N-O 3.2Å; T433-S440 VanDerWaalsContact O-CB 3.27Å; T433-S440 WeakPolarHBondContact O-CB 3.17Å; T433-S440 PolarHBondContact O-OG 3.07Å; F434-S440 WeakPolarHBondContact CD1-OG 3.44Å; F434-S440 WeakPolarHBondContact CE1-OG 3.48Å
441	L	98.6	Very high	96.7	Very high	6 Å²	6	7.2 Å²	7.2	3%	0.031	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	108.8	-179.7	-172.9	61.8	0	0	0	110.4	W105 F140 V142 V374 A413 L414 T415	W105-L441 HydrophobicContact CB-CD1 3.9Å; W105-L441 HydrophobicContact CB-CD2 4.49Å; W105-L441 HydrophobicContact CB-CG 4.1Å; W105-L441 HydrophobicContact CD2-CD2 4.09Å; W105-L441 HydrophobicContact CE3-CD2 3.5Å; W105-L441 VanDerWaalsContact CE3-CD2 3.5Å; W105-L441 HydrophobicContact CE3-CG 4.08Å; W105-L441 HydrophobicContact CZ3-CD2 4.02Å; F140-L441 HydrophobicContact CE2-CD1 4.39Å; V142-L441 HydrophobicContact CB-CD1 4.28Å; V142-L441 HydrophobicContact CG2-CD1 3.61Å; V374-L441 HydrophobicContact CG2-CD2 4.41Å; A413-L441 HydrophobicContact CB-CB 4.45Å; A413-L441 HydrophobicContact CB-CD2 4.43Å; L414-L441 PolarHBondContact O-N 2.76Å; T415-L441 WeakPolarHBondContact CA-O 3.29Å; T415-L441 WeakPolarHBondContact CB-O 3.42Å; T415-L441 PolarHBondContact OG1-O 3.32Å
442	L	98.5	Very high	96.1	Very high	2 Å²	2	7.3 Å²	7.3	1%	0.01	4%	0.039	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	113.3	179.8	175.5	61.4	0	0	0	109.9	T102 G103 Y104 W105 I136 L430 F434 E447 V533	T102-L442 HydrophobicContact CG2-CB 4.39Å; G103-L442 PolarHBondContact O-N 3.41Å; Y104-L442 CarbonylContact C-O 3.58Å; Y104-L442 WeakPolarHBondContact CA-O 3.38Å; Y104-L442 HydrophobicContact CD2-CB 4.22Å; Y104-L442 HydrophobicContact CD2-CD2 3.86Å; Y104-L442 HydrophobicContact CD2-CG 3.96Å; Y104-L442 HydrophobicContact CE2-CD2 3.88Å; Y104-L442 HydrophobicContact CE2-CG 4.05Å; W105-L442 PolarHBondContact N-O 3.2Å; I136-L442 HydrophobicContact CG2-CD2 3.79Å; L430-L442 HydrophobicContact CD1-CD1 3.97Å; F434-L442 HydrophobicContact CE1-CB 4.49Å; F434-L442 HydrophobicContact CZ-CB 4.32Å; F434-L442 HydrophobicContact CZ-CD1 4.24Å; F434-L442 HydrophobicContact CZ-CD2 4.37Å; L442-E447 HydrophobicContact CD2-CB 4.19Å; L442-V533 HydrophobicContact CD2-CG1 4.06Å
443	Y	98	Very high	95	Very high	2 Å²	2	10.7 Å²	10.7	1%	0.008	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	134.5	173.5	-168.5	-98.2	0	0	0	111.1	W105 A417 T419 S446 S481	W105-Y443 HydrophobicContact CB-CD2 3.86Å; W105-Y443 AromaticContact CD2-CD2 3.64Å; W105-Y443 HydrophobicContact CD2-CD2 3.64Å; W105-Y443 HydrophobicContact CD2-CE2 4.1Å; W105-Y443 AromaticContact CE3-CD2 3.78Å; W105-Y443 HydrophobicContact CE3-CD2 3.78Å; W105-Y443 AromaticContact CG-CD2 3.67Å; W105-Y443 HydrophobicContact CG-CD2 3.67Å; W105-Y443 HydrophobicContact CG-CE2 4.14Å; A417-Y443 HydrophobicContact CB-CD1 4.17Å; A417-Y443 HydrophobicContact CB-CG 4.4Å; A417-Y443 WeakPolarHBondContact O-CB 3.39Å; T419-Y443 HydrophobicContact CG2-CE2 4.06Å; Y443-S446 WeakPolarHBondContact O-CB 3.28Å; Y443-S446 PolarHBondContact O-N 2.92Å; Y443-S446 PolarHBondContact O-OG 3.18Å; Y443-S481 WeakPolarHBondContact CE1-O 3.45Å; Y443-S481 PolarHBondContact OH-O 3.43Å
444	Y	97.4	Very high	93.5	Very high	2 Å²	2	13.1 Å²	13.1	1%	0.008	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	140.4	-169	79.5	-80.7	0	0	0	113.7	W105 N107 A110 Y111 S446 Q482 L483 M485	W105-Y444 PolarHBondContact O-N 2.85Å; N107-Y444 HydrophobicContact CB-CE1 3.83Å; A110-Y444 HydrophobicContact CB-CE2 4.3Å; A110-Y444 WeakPolarHBondContact CB-OH 3.34Å; Y111-Y444 AromaticContact CD2-CD2 3.98Å; Y111-Y444 HydrophobicContact CD2-CD2 3.98Å; Y111-Y444 HydrophobicContact CD2-CG 4.21Å; Y111-Y444 HydrophobicContact CE2-CD2 4.45Å; Y444-S446 PolarHBondContact O-N 3.26Å; Y444-Q482 PolarHBondContact OH-O 3.3Å; Y444-L483 WeakPolarHBondContact CE2-O 3.19Å; Y444-L483 PolarHBondContact OH-O 3.13Å; Y444-M485 HydrophobicContact CD2-CB 3.98Å; Y444-M485 HydrophobicContact CD2-CG 4.34Å; Y444-M485 HydrophobicContact CD2-SD 3.83Å; Y444-M485 HydrophobicContact CE2-CB 4.11Å
445	G	95.6	Very high	91.6	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.1	-10	-175	0	0	0	0	0	115	R423 E447 L448	R423-G445 VanDerWaalsContact CD-C 3.46Å; G445-E447 WeakPolarHBondContact CA-OE2 3.38Å; G445-E447 VanDerWaalsContact N-CD 3.25Å; G445-E447 PolarHBondContact N-OE1 2.96Å; G445-E447 VanDerWaalsContact N-OE1 3.14Å; G445-E447 PolarHBondContact N-OE2 2.87Å; G445-E447 PolarHBondContact O-N 3.08Å; G445-L448 PolarHBondContact O-N 2.75Å
446	S	96.2	Very high	89.8	Confident	8 Å²	8	25.2 Å²	25.2	6%	0.056	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-66.8	-22.9	173.1	-53	0	0	0	0	111.8	L430 Y443 Y444 L448 N449	L430-S446 WeakPolarHBondContact CD2-O 3.35Å; Y443-S446 WeakPolarHBondContact O-CB 3.28Å; Y443-S446 PolarHBondContact O-N 2.92Å; Y443-S446 PolarHBondContact O-OG 3.18Å; Y444-S446 PolarHBondContact O-N 3.26Å; S446-L448 PolarHBondContact O-N 2.87Å; S446-N449 PolarHBondContact O-N 2.95Å
447	E	96.2	Very high	87.8	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-60.4	-21	172.7	60.8	-85.1	-159.4	0	0	113.8	Y104 Y131 I136 L442 G445 N449 M485 F530 V533	Y104-E447 PolarHBondContact OH-OE1 2.94Å; Y131-E447 PolarHBondContact OH-OE1 3.47Å; I136-E447 HydrophobicContact CD1-CB 4.27Å; I136-E447 HydrophobicContact CD1-CG 3.95Å; L442-E447 HydrophobicContact CD2-CB 4.19Å; G445-E447 WeakPolarHBondContact CA-OE2 3.38Å; G445-E447 VanDerWaalsContact N-CD 3.25Å; G445-E447 PolarHBondContact N-OE1 2.96Å; G445-E447 VanDerWaalsContact N-OE1 3.14Å; G445-E447 PolarHBondContact N-OE2 2.87Å; G445-E447 PolarHBondContact O-N 3.08Å; E447-N449 VanDerWaalsContact C-N 3.33Å; E447-M485 WeakPolarHBondContact OE1-CE 3.47Å; E447-F530 HydrophobicContact CB-CD2 4.12Å; E447-F530 HydrophobicContact CB-CE2 4.26Å; E447-F530 HydrophobicContact CG-CD2 3.84Å; E447-F530 HydrophobicContact CG-CE2 3.65Å; E447-F530 VanDerWaalsContact O-CA 3.31Å; E447-F530 WeakPolarHBondContact O-CA 3.39Å; E447-V533 HydrophobicContact CB-CB 4.43Å; E447-V533 HydrophobicContact CB-CG1 4.01Å
448	L	95.7	Very high	85.8	Confident	6 Å²	6	33.8 Å²	33.8	3%	0.031	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-81.8	-15.4	173.8	-62.5	169.4	0	0	0	112.3	G445 S446 E450 P486 E515 V517 A520 F530	G445-L448 PolarHBondContact O-N 2.75Å; S446-L448 PolarHBondContact O-N 2.87Å; L448-E450 HydrophobicContact CB-CG 4.24Å; L448-E450 PolarHBondContact O-N 3.47Å; L448-P486 HydrophobicContact CD1-CB 4.5Å; L448-P486 HydrophobicContact CD1-CG 3.42Å; L448-P486 VanDerWaalsContact CD1-CG 3.42Å; L448-E515 HydrophobicContact CD2-CB 4.46Å; L448-V517 HydrophobicContact CD1-CG2 4.49Å; L448-A520 HydrophobicContact CD2-CB 3.88Å; L448-F530 HydrophobicContact CD2-CD2 3.92Å
449	N	94.4	Very high	83.8	Confident	13 Å²	13	35 Å²	35	7%	0.07	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	38.2	-177.5	-173.9	71.2	0	0	0	113.1	S425 D426 L427 S446 E447	S425-N449 WeakPolarHBondContact CB-O 3.29Å; S425-N449 PolarHBondContact OG-ND2 3.37Å; S425-N449 PolarHBondContact OG-O 3.11Å; D426-N449 PolarHBondContact N-OD1 3.09Å; D426-N449 VanDerWaalsContact N-OD1 3.11Å; L427-N449 HydrophobicContact CD2-CB 3.68Å; L427-N449 WeakPolarHBondContact CD2-OD1 3.27Å; L427-N449 HydrophobicContact CG-CB 4.43Å; L427-N449 WeakPolarHBondContact CG-ND2 3.37Å; L427-N449 PolarHBondContact N-OD1 2.71Å; S446-N449 PolarHBondContact O-N 2.95Å; E447-N449 VanDerWaalsContact C-N 3.33Å
450	E	92.4	Very high	82	Confident	30 Å²	30	38.5 Å²	38.5	14%	0.14	22%	0.216	C	C	.	.			trans	-102.3	129.1	176.4	-69	-75.3	-161.5	0	0	110	R423 L448 I513 N514 E515	R423-E450 WeakPolarHBondContact CB-O 3.39Å; L448-E450 HydrophobicContact CB-CG 4.24Å; L448-E450 PolarHBondContact O-N 3.47Å; E450-I513 HydrophobicContact CG-CG2 4.35Å; E450-N514 PolarHBondContact OE1-N 3.45Å; E450-N514 VanDerWaalsContact OE1-N 3.12Å; E450-E515 HydrophobicContact CG-CB 4.24Å; E450-E515 PolarHBondContact OE1-N 3.31Å
451	E	90.3	Very high	80	Confident	64 Å²	64	39.4 Å²	39.4	30%	0.299	22%	0.22	S	C	.	.			trans	-80.2	138.6	179.3	-180	171	-173.7	0	0	111.3	K380 R423 S453	K380-E451 IonicContact NZ-OE1 3.06Å; K380-E451 PolarHBondContact NZ-OE1 3.11Å; R423-E451 WeakPolarHBondContact O-CA 3.47Å; E451-S453 WeakPolarHBondContact OE1-CB 3.5Å; E451-S453 PolarHBondContact OE1-OG 3.49Å
452	T	84.8	Confident	78	Confident	2 Å²	2	39.3 Å²	39.3	1%	0.012	22%	0.22	C	C	.	.			trans	-107.8	75.3	174.7	51.5	0	0	0	0	109.7	R423 L480 L483	R423-T452 HydrophobicContact CB-CG2 4.39Å; R423-T452 PolarHBondContact N-OG1 3.23Å; R423-T452 PolarHBondContact O-N 3.47Å; R423-T452 VanDerWaalsContact O-N 3.1Å; R423-T452 PolarHBondContact O-OG1 2.88Å; T452-L480 PolarHBondContact OG1-O 3.45Å; T452-L483 HydrophobicContact CG2-CD1 3.72Å
453	S	74.6	Confident	75.9	Confident	71 Å²	71	39.3 Å²	39.3	50%	0.497	22%	0.22	S	C	.	.			trans	-119	86.3	178.9	68.2	0	0	0	0	111.5	E451	E451-S453 WeakPolarHBondContact OE1-CB 3.5Å; E451-S453 PolarHBondContact OE1-OG 3.49Å
454	N	66.5	Low	74	Confident	52 Å²	52	39.5 Å²	39.5	28%	0.278	22%	0.221	S	C	.	.			trans	-153.4	106.3	165.9	-167.9	-8.2	0	0	0	111.5	N456 A510 F511	N454-N456 PolarHBondContact OD1-N 3.45Å; N454-A510 PolarHBondContact ND2-O 3.28Å; N454-F511 HydrophobicContact CB-CD1 3.99Å; N454-F511 HydrophobicContact CB-CE1 4Å
455	I	58.1	Low	72	Confident	114 Å²	114	43.1 Å²	43.1	59%	0.585	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-23.8	-175.2	-66.3	164.7	0	0	0	112.3	F457 T476	I455-F457 PolarHBondContact O-N 3.27Å; I455-F457 VanDerWaalsContact O-N 3.12Å; I455-T476 HydrophobicContact CB-CG2 4.24Å; I455-T476 HydrophobicContact CG1-CG2 4.08Å; I455-T476 HydrophobicContact CG2-CG2 3.51Å
456	N	59.6	Low	70.3	Confident	140 Å²	140	46.3 Å²	46.3	75%	0.749	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	10.4	-172.7	-71.4	-13.5	0	0	0	113.5	N454	N454-N456 PolarHBondContact OD1-N 3.45Å
457	F	56.4	Low	68.4	Low	46 Å²	46	53.1 Å²	53.1	20%	0.202	28%	0.283	C	S	.	.			trans	-87.6	114.8	-175.8	-165.8	-110.9	0	0	0	110.8	I455 F461 A510 F511	I455-F457 PolarHBondContact O-N 3.27Å; I455-F457 VanDerWaalsContact O-N 3.12Å; F457-F461 HydrophobicContact CD1-CD2 4.28Å; F457-F461 HydrophobicContact CE1-CB 4.09Å; F457-F461 AromaticContact CE1-CD2 3.08Å; F457-F461 HydrophobicContact CE1-CD2 3.08Å; F457-F461 AromaticContact CE1-CE2 3.62Å; F457-F461 HydrophobicContact CE1-CE2 3.62Å; F457-F461 AromaticContact CE1-CG 3.67Å; F457-F461 HydrophobicContact CE1-CG 3.67Å; F457-F461 HydrophobicContact CE2-CE2 4.24Å; F457-F461 AromaticContact CZ-CD2 3.24Å; F457-F461 HydrophobicContact CZ-CD2 3.24Å; F457-F461 AromaticContact CZ-CE2 3.2Å; F457-F461 HydrophobicContact CZ-CE2 3.2Å; F457-F461 HydrophobicContact CZ-CG 4.01Å; F457-F461 AromaticContact CZ-CZ 3.95Å; F457-F461 HydrophobicContact CZ-CZ 3.95Å; F457-A510 HydrophobicContact CD2-CB 3.44Å; F457-A510 VanDerWaalsContact CD2-CB 3.44Å; F457-A510 HydrophobicContact CE2-CB 3.3Å; F457-A510 HydrophobicContact CG-CB 4.34Å; F457-A510 HydrophobicContact CZ-CB 4.09Å; F457-F511 HydrophobicContact CB-CE1 4.49Å; F457-F511 HydrophobicContact CB-CZ 3.94Å; F457-F511 AromaticContact CD1-CE2 3.65Å; F457-F511 HydrophobicContact CD1-CE2 3.65Å; F457-F511 AromaticContact CD1-CZ 3.62Å; F457-F511 HydrophobicContact CD1-CZ 3.62Å; F457-F511 AromaticContact CE1-CE2 3.78Å; F457-F511 HydrophobicContact CE1-CE2 3.78Å; F457-F511 HydrophobicContact CE1-CZ 4.23Å; F457-F511 HydrophobicContact CG-CE2 4.1Å; F457-F511 AromaticContact CG-CZ 3.91Å; F457-F511 HydrophobicContact CG-CZ 3.91Å; F457-F511 HydrophobicContact CZ-CE2 4.4Å
458	T	55.7	Low	66.4	Low	139 Å²	139	54.2 Å²	54.2	85%	0.853	29%	0.29	S	S	*	.			trans	-103.9	8.6	-175.8	59.7	0	0	0	0	113.4
459	G	53.5	Low	64.6	Low	34 Å²	34	57.2 Å²	57.2	35%	0.351	31%	0.309	S	S	.	.			trans	-76.8	153.8	-172.8	0	0	0	0	0	113.3	F461	G459-F461 VanDerWaalsContact C-CD2 3.42Å; G459-F461 PolarHBondContact O-N 3.23Å; G459-F461 VanDerWaalsContact O-N 3.17Å
460	E	60.5	Low	62.6	Low	78 Å²	78	57.2 Å²	57.2	36%	0.364	31%	0.308	S	S	.	.			trans	-82.7	80.3	176.2	-64.8	175.4	-167.2	0	0	109.5	D465 K467	E460-D465 PolarHBondContact O-N 3.31Å; E460-K467 HydrophobicContact CG-CG 3.6Å; E460-K467 WeakPolarHBondContact OE1-CE 3.32Å; E460-K467 VanDerWaalsContact OE1-CG 3.3Å; E460-K467 WeakPolarHBondContact OE1-CG 3.36Å
461	F	57.6	Low	60.5	Low	18 Å²	18	57.2 Å²	57.2	8%	0.079	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-119.5	-16.4	-167	-85.1	-79	0	0	0	115.8	F457 G459 P463 F464 S503 Y507	F457-F461 HydrophobicContact CD1-CD2 4.28Å; F457-F461 HydrophobicContact CE1-CB 4.09Å; F457-F461 AromaticContact CE1-CD2 3.08Å; F457-F461 HydrophobicContact CE1-CD2 3.08Å; F457-F461 AromaticContact CE1-CE2 3.62Å; F457-F461 HydrophobicContact CE1-CE2 3.62Å; F457-F461 AromaticContact CE1-CG 3.67Å; F457-F461 HydrophobicContact CE1-CG 3.67Å; F457-F461 HydrophobicContact CE2-CE2 4.24Å; F457-F461 AromaticContact CZ-CD2 3.24Å; F457-F461 HydrophobicContact CZ-CD2 3.24Å; F457-F461 AromaticContact CZ-CE2 3.2Å; F457-F461 HydrophobicContact CZ-CE2 3.2Å; F457-F461 HydrophobicContact CZ-CG 4.01Å; F457-F461 AromaticContact CZ-CZ 3.95Å; F457-F461 HydrophobicContact CZ-CZ 3.95Å; G459-F461 VanDerWaalsContact C-CD2 3.42Å; G459-F461 PolarHBondContact O-N 3.23Å; G459-F461 VanDerWaalsContact O-N 3.17Å; F461-P463 VanDerWaalsContact C-C 3.41Å; F461-P463 CarbonylContact C-O 3.5Å; F461-P463 VanDerWaalsContact C-O 3.28Å; F461-F464 AromaticContact CD1-CD1 3.67Å; F461-F464 HydrophobicContact CD1-CD1 3.67Å; F461-F464 AromaticContact CD1-CE1 3.26Å; F461-F464 HydrophobicContact CD1-CE1 3.26Å; F461-F464 HydrophobicContact CD1-CZ 4.01Å; F461-F464 AromaticContact CE1-CD1 3.98Å; F461-F464 HydrophobicContact CE1-CD1 3.98Å; F461-F464 AromaticContact CE1-CE1 3.55Å; F461-F464 HydrophobicContact CE1-CE1 3.55Å; F461-F464 HydrophobicContact CG-CE1 4.46Å; F461-S503 VanDerWaalsContact CE1-CB 3.47Å; F461-S503 WeakPolarHBondContact CE1-O 3.35Å; F461-S503 WeakPolarHBondContact CZ-O 3.34Å; F461-Y507 HydrophobicContact CD1-CG 4.46Å
462	Y	56	Low	58.4	Low	5 Å²	5	54.7 Å²	54.7	2%	0.02	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-144.3	103.7	174.6	-175.5	-99.8	0	0	0	110.5	N107 F109 A110 T468 F470 Q482 P484	N107-Y462 VanDerWaalsContact CG-OH 3.29Å; N107-Y462 PolarHBondContact ND2-OH 2.95Å; N107-Y462 PolarHBondContact OD1-OH 3.39Å; N107-Y462 VanDerWaalsContact OD1-OH 3.13Å; F109-Y462 HydrophobicContact CB-CE2 4.3Å; F109-Y462 WeakPolarHBondContact CB-OH 3.49Å; A110-Y462 HydrophobicContact CB-CD2 4.02Å; A110-Y462 HydrophobicContact CB-CE2 3.32Å; Y462-T468 PolarHBondContact O-OG1 3.33Å; Y462-F470 AromaticContact CD1-CZ 3.99Å; Y462-F470 HydrophobicContact CD1-CZ 3.99Å; Y462-Q482 HydrophobicContact CD1-CB 4.04Å; Y462-Q482 WeakPolarHBondContact CD2-O 3.4Å; Y462-Q482 HydrophobicContact CE1-CB 3.79Å; Y462-Q482 WeakPolarHBondContact CE2-O 3.43Å; Y462-Q482 VanDerWaalsContact CG-O 3.3Å; Y462-P484 HydrophobicContact CD2-CG 4.45Å
463	P	54.1	Low	56.4	Low	2 Å²	2	58.5 Å²	58.5	1%	0.013	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	cis	-62.1	162	-10.5	37.3	-43.5	0	0	0	112.2	I119 Y151 F461 D465 E466 T468	I119-P463 HydrophobicContact CG1-CB 3.94Å; Y151-P463 HydrophobicContact CE2-CB 3.67Å; Y151-P463 HydrophobicContact CE2-CG 3.7Å; Y151-P463 WeakPolarHBondContact OH-CB 3.43Å; Y151-P463 WeakPolarHBondContact OH-CG 3.32Å; F461-P463 VanDerWaalsContact C-C 3.41Å; F461-P463 CarbonylContact C-O 3.5Å; F461-P463 VanDerWaalsContact C-O 3.28Å; P463-D465 PolarHBondContact O-N 3.5Å; P463-E466 HydrophobicContact CG-CB 3.63Å; P463-E466 HydrophobicContact CG-CG 3.91Å; P463-E466 PolarHBondContact O-N 3.02Å; P463-T468 WeakPolarHBondContact CD-OG1 3.35Å; P463-T468 HydrophobicContact CG-CG2 4.17Å
464	F	59.3	Low	55.3	Low	6 Å²	6	62 Å²	62	3%	0.026	33%	0.334	C	S	.	.	B	Isolated β-bridge	trans	-61.1	136.1	173.7	-79.3	-89.1	0	0	0	111	K118 F461 E466 P484 F494 L498 F504	K118-F464 HydrophobicContact CB-CB 3.78Å; K118-F464 HydrophobicContact CB-CG 4.47Å; K118-F464 HydrophobicContact CD-CB 4.07Å; F461-F464 AromaticContact CD1-CD1 3.67Å; F461-F464 HydrophobicContact CD1-CD1 3.67Å; F461-F464 AromaticContact CD1-CE1 3.26Å; F461-F464 HydrophobicContact CD1-CE1 3.26Å; F461-F464 HydrophobicContact CD1-CZ 4.01Å; F461-F464 AromaticContact CE1-CD1 3.98Å; F461-F464 HydrophobicContact CE1-CD1 3.98Å; F461-F464 AromaticContact CE1-CE1 3.55Å; F461-F464 HydrophobicContact CE1-CE1 3.55Å; F461-F464 HydrophobicContact CG-CE1 4.46Å; F464-E466 PolarHBondContact O-N 3.41Å; F464-P484 HydrophobicContact CD2-CG 4.14Å; F464-P484 HydrophobicContact CE2-CB 3.72Å; F464-P484 HydrophobicContact CE2-CG 3.26Å; F464-P484 HydrophobicContact CZ-CB 4.16Å; F464-P484 HydrophobicContact CZ-CG 3.7Å; F464-F494 HydrophobicContact CD2-CD1 4.22Å; F464-F494 AromaticContact CD2-CE1 3.59Å; F464-F494 HydrophobicContact CD2-CE1 3.59Å; F464-F494 HydrophobicContact CD2-CZ 4.36Å; F464-F494 AromaticContact CE2-CD1 3.8Å; F464-F494 HydrophobicContact CE2-CD1 3.8Å; F464-F494 AromaticContact CE2-CE1 3.56Å; F464-F494 HydrophobicContact CE2-CE1 3.56Å; F464-F494 HydrophobicContact CE2-CZ 4.32Å; F464-L498 HydrophobicContact CD1-CD1 4.42Å; F464-L498 HydrophobicContact CD1-CD2 4.31Å; F464-L498 HydrophobicContact CD2-CD1 4.04Å; F464-L498 HydrophobicContact CE1-CD1 4.25Å; F464-L498 HydrophobicContact CE2-CD1 3.87Å; F464-L498 HydrophobicContact CG-CD1 4.33Å; F464-L498 HydrophobicContact CG-CD2 4.45Å; F464-L498 HydrophobicContact CZ-CD1 4.05Å; F464-F504 HydrophobicContact CE1-CB 4.28Å; F464-F504 AromaticContact CE1-CD2 3.89Å; F464-F504 HydrophobicContact CE1-CD2 3.89Å; F464-F504 AromaticContact CE2-CD2 3.87Å; F464-F504 HydrophobicContact CE2-CD2 3.87Å; F464-F504 HydrophobicContact CE2-CE2 4.08Å; F464-F504 HydrophobicContact CZ-CB 4.4Å; F464-F504 AromaticContact CZ-CD2 3.19Å; F464-F504 HydrophobicContact CZ-CD2 3.19Å; F464-F504 AromaticContact CZ-CE2 3.71Å; F464-F504 HydrophobicContact CZ-CE2 3.71Å; F464-F504 HydrophobicContact CZ-CG 4.14Å
465	D	55	Low	54.8	Low	77 Å²	77	61.9 Å²	61.9	41%	0.412	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.5	16	176.5	-53.4	-33.5	0	0	0	115.6	K118 E460 P463	K118-D465 IonicContact NZ-OD2 2.55Å; K118-D465 PolarHBondContact NZ-OD2 3.1Å; E460-D465 PolarHBondContact O-N 3.31Å; P463-D465 PolarHBondContact O-N 3.5Å
466	E	60	Low	55.1	Low	67 Å²	67	58.3 Å²	58.3	31%	0.313	32%	0.316	S	S	.	.			trans	-121.8	142.3	161.4	-45.6	-159.8	-167.8	0	0	113.1	K156 P463 F464 T468	K156-E466 IonicContact NZ-OE2 2.79Å; K156-E466 PolarHBondContact NZ-OE2 3.13Å; P463-E466 HydrophobicContact CG-CB 3.63Å; P463-E466 HydrophobicContact CG-CG 3.91Å; P463-E466 PolarHBondContact O-N 3.02Å; F464-E466 PolarHBondContact O-N 3.41Å; E466-T468 PolarHBondContact O-N 3.43Å
467	K	56.7	Low	55.7	Low	151 Å²	151	53.5 Å²	53.5	66%	0.657	29%	0.29	S	S	*	.			trans	-79	90.6	160.8	-66	-173.3	-172.2	-173.3	0	109.1	E460	E460-K467 HydrophobicContact CG-CG 3.6Å; E460-K467 WeakPolarHBondContact OE1-CE 3.32Å; E460-K467 VanDerWaalsContact OE1-CG 3.3Å; E460-K467 WeakPolarHBondContact OE1-CG 3.36Å
468	T	54.4	Low	56.7	Low	24 Å²	24	52.2 Å²	52.2	15%	0.147	29%	0.286	C	S	.	.			trans	-68.4	133	157.6	34.4	0	0	0	0	109.3	Y462 P463 E466 F470	Y462-T468 PolarHBondContact O-OG1 3.33Å; P463-T468 WeakPolarHBondContact CD-OG1 3.35Å; P463-T468 HydrophobicContact CG-CG2 4.17Å; E466-T468 PolarHBondContact O-N 3.43Å; T468-F470 PolarHBondContact O-N 2.97Å
469	V	56.1	Low	57.6	Low	69 Å²	69	48.2 Å²	48.2	42%	0.418	26%	0.259	S	S	.	.	B	Isolated β-bridge	trans	-85.3	105.3	167.2	-178.8	0	0	0	0	105.8	K156 T157 T471	K156-V469 PolarHBondContact O-N 3.15Å; T157-V469 VanDerWaalsContact CA-O 3.32Å; T157-V469 WeakPolarHBondContact CA-O 3.45Å; V469-T471 PolarHBondContact O-N 2.73Å
470	F	52.3	Low	59	Low	13 Å²	13	47 Å²	47	6%	0.057	24%	0.244	C	C	.	.			trans	-67	125.4	163.4	-71	-97.1	0	0	0	107.1	L158 Y462 T468 G472 S473 V478 L479	L158-F470 HydrophobicContact CD2-CD1 4.12Å; L158-F470 HydrophobicContact CD2-CE1 3.65Å; L158-F470 HydrophobicContact CD2-CZ 4.46Å; Y462-F470 AromaticContact CD1-CZ 3.99Å; Y462-F470 HydrophobicContact CD1-CZ 3.99Å; T468-F470 PolarHBondContact O-N 2.97Å; F470-G472 PolarHBondContact O-N 2.71Å; F470-S473 WeakPolarHBondContact O-CA 3.23Å; F470-S473 WeakPolarHBondContact O-CB 3.5Å; F470-S473 PolarHBondContact O-N 3.45Å; F470-S473 PolarHBondContact O-OG 3.04Å; F470-V478 HydrophobicContact CD1-CG1 3.94Å; F470-V478 HydrophobicContact CE1-CG1 4.18Å; F470-L479 HydrophobicContact CD2-CB 4.41Å; F470-L479 HydrophobicContact CD2-CD1 4.24Å; F470-L479 HydrophobicContact CE1-CB 4.45Å; F470-L479 HydrophobicContact CE2-CB 4.18Å; F470-L479 HydrophobicContact CE2-CD1 3.38Å; F470-L479 HydrophobicContact CE2-CG 4.29Å; F470-L479 HydrophobicContact CZ-CB 4.16Å; F470-L479 HydrophobicContact CZ-CD1 3.55Å; F470-L479 HydrophobicContact CZ-CG 4.46Å
471	T	48.3	Very low	60.3	Low	29 Å²	29	43.5 Å²	43.5	18%	0.178	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	122.6	158.1	37.6	0	0	0	0	106.8	T157 F246 V469	T157-T471 HydrophobicContact CG2-CG2 3.26Å; F246-T471 HydrophobicContact CD2-CG2 4.17Å; F246-T471 VanDerWaalsContact CE2-CB 3.48Å; F246-T471 HydrophobicContact CE2-CG2 3.26Å; F246-T471 WeakPolarHBondContact CE2-OG1 3.13Å; F246-T471 HydrophobicContact CZ-CG2 3.87Å; F246-T471 VanDerWaalsContact CZ-OG1 3.31Å; F246-T471 WeakPolarHBondContact CZ-OG1 3.27Å; V469-T471 PolarHBondContact O-N 2.73Å
472	G	46.9	Very low	61.6	Low	11 Å²	11	43.4 Å²	43.4	11%	0.113	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.2	34.8	-164.7	0	0	0	0	0	111.7	F470 K474 E475	F470-G472 PolarHBondContact O-N 2.71Å; G472-K474 CarbonylContact O-C 3.59Å; G472-K474 PolarHBondContact O-N 3.39Å; G472-E475 VanDerWaalsContact O-CA 3.25Å; G472-E475 WeakPolarHBondContact O-CA 3.15Å; G472-E475 WeakPolarHBondContact O-CB 3.19Å; G472-E475 PolarHBondContact O-N 3.39Å
473	S	43.6	Very low	63.1	Low	82 Å²	82	43.4 Å²	43.4	57%	0.573	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-11.4	163.3	47.2	0	0	0	0	113.8	F470	F470-S473 WeakPolarHBondContact O-CA 3.23Å; F470-S473 WeakPolarHBondContact O-CB 3.5Å; F470-S473 PolarHBondContact O-N 3.45Å; F470-S473 PolarHBondContact O-OG 3.04Å
474	K	50.2	Low	64.8	Low	146 Å²	146	43.3 Å²	43.3	64%	0.635	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-27.3	165.3	-62.1	179	-171.1	157.8	0	113.2	G472 T476	G472-K474 CarbonylContact O-C 3.59Å; G472-K474 PolarHBondContact O-N 3.39Å; K474-T476 VanDerWaalsContact C-N 3.34Å; K474-T476 PolarHBondContact O-N 3.34Å
475	E	57	Low	66.4	Low	48 Å²	48	43 Å²	43	22%	0.224	23%	0.226	C	C	.	.			trans	-81.6	76.9	170.6	-54.4	-161	145	0	0	110.1	R224 N346 G472 D477 V478	R224-E475 IonicContact CZ-OE1 3.71Å; R224-E475 IonicContact CZ-OE2 2.61Å; R224-E475 IonicContact NH1-OE1 2.78Å; R224-E475 PolarHBondContact NH1-OE1 3.36Å; R224-E475 VanDerWaalsContact NH1-OE1 3.12Å; R224-E475 IonicContact NH1-OE2 3.57Å; R224-E475 PolarHBondContact NH1-OE2 3.24Å; R224-E475 VanDerWaalsContact NH1-OE2 3.1Å; R224-E475 IonicContact NH2-OE1 3.68Å; R224-E475 PolarHBondContact NH2-OE1 3.28Å; R224-E475 IonicContact NH2-OE2 2.83Å; N346-E475 PolarHBondContact ND2-OE2 3.28Å; G472-E475 VanDerWaalsContact O-CA 3.25Å; G472-E475 WeakPolarHBondContact O-CA 3.15Å; G472-E475 WeakPolarHBondContact O-CB 3.19Å; G472-E475 PolarHBondContact O-N 3.39Å; E475-D477 PolarHBondContact O-N 2.94Å; E475-V478 HydrophobicContact CB-CG2 4.3Å; E475-V478 PolarHBondContact O-N 3.37Å; E475-V478 VanDerWaalsContact O-N 3.07Å
476	T	64.1	Low	68.3	Low	40 Å²	40	39.4 Å²	39.4	25%	0.245	21%	0.207	C	C	.	.	H	α-helix	trans	-44.6	-31.2	176	49.7	0	0	0	0	113.5	I455 K474 V478 L479 L480	I455-T476 HydrophobicContact CB-CG2 4.24Å; I455-T476 HydrophobicContact CG1-CG2 4.08Å; I455-T476 HydrophobicContact CG2-CG2 3.51Å; K474-T476 VanDerWaalsContact C-N 3.34Å; K474-T476 PolarHBondContact O-N 3.34Å; T476-V478 PolarHBondContact O-N 3.21Å; T476-L479 PolarHBondContact O-N 3.37Å; T476-L480 WeakPolarHBondContact O-CB 3.4Å; T476-L480 WeakPolarHBondContact O-CG 3.21Å; T476-L480 PolarHBondContact O-N 2.82Å
477	D	72.6	Confident	69.9	Low	39 Å²	39	36.8 Å²	36.8	21%	0.209	19%	0.194	C	C	.	.	H	α-helix	trans	-62.6	-37	-178.3	-75	15.6	0	0	0	114	K385 P422 E475 L480 S481	K385-D477 VanDerWaalsContact CD-OD2 3.24Å; K385-D477 WeakPolarHBondContact CD-OD2 3.41Å; K385-D477 WeakPolarHBondContact CE-OD2 3.35Å; K385-D477 IonicContact NZ-OD2 3.75Å; K385-D477 PolarHBondContact NZ-OD2 3.09Å; P422-D477 HydrophobicContact CG-CB 4.5Å; E475-D477 PolarHBondContact O-N 2.94Å; D477-L480 PolarHBondContact O-N 3.2Å; D477-S481 VanDerWaalsContact O-CB 3.3Å; D477-S481 WeakPolarHBondContact O-CB 3.17Å; D477-S481 PolarHBondContact O-N 3.22Å; D477-S481 PolarHBondContact O-OG 3.01Å
478	V	76.5	Confident	71.7	Confident	19 Å²	19	30.4 Å²	30.4	12%	0.115	17%	0.167	C	C	.	.	H	α-helix	trans	-65.8	-46.8	-179.7	-179.1	0	0	0	0	110	T420 F470 E475 T476 L480 S481 Q482	T420-V478 HydrophobicContact CG2-CG2 3.97Å; F470-V478 HydrophobicContact CD1-CG1 3.94Å; F470-V478 HydrophobicContact CE1-CG1 4.18Å; E475-V478 HydrophobicContact CB-CG2 4.3Å; E475-V478 PolarHBondContact O-N 3.37Å; E475-V478 VanDerWaalsContact O-N 3.07Å; T476-V478 PolarHBondContact O-N 3.21Å; V478-L480 VanDerWaalsContact C-N 3.35Å; V478-L480 PolarHBondContact O-N 2.98Å; V478-S481 WeakPolarHBondContact O-CB 3.43Å; V478-S481 PolarHBondContact O-N 2.99Å; V478-S481 VanDerWaalsContact O-N 3.15Å; V478-Q482 WeakPolarHBondContact O-CG 3.47Å; V478-Q482 PolarHBondContact O-N 2.91Å
479	L	75.4	Confident	73.4	Confident	55 Å²	55	33 Å²	33	29%	0.288	18%	0.178	S	C	.	.	H	α-helix	trans	-59.6	-45.8	174.6	171.5	65.3	0	0	0	111.3	F470 T476 S481 Q482	F470-L479 HydrophobicContact CD2-CB 4.41Å; F470-L479 HydrophobicContact CD2-CD1 4.24Å; F470-L479 HydrophobicContact CE1-CB 4.45Å; F470-L479 HydrophobicContact CE2-CB 4.18Å; F470-L479 HydrophobicContact CE2-CD1 3.38Å; F470-L479 HydrophobicContact CE2-CG 4.29Å; F470-L479 HydrophobicContact CZ-CB 4.16Å; F470-L479 HydrophobicContact CZ-CD1 3.55Å; F470-L479 HydrophobicContact CZ-CG 4.46Å; T476-L479 PolarHBondContact O-N 3.37Å; L479-S481 PolarHBondContact O-N 2.76Å; L479-Q482 PolarHBondContact O-N 3.49Å
480	L	82.7	Confident	75	Confident	9 Å²	9	31.8 Å²	31.8	5%	0.047	17%	0.173	C	C	.	.	H	α-helix	trans	-63.7	-22.9	179	-66.9	171.2	0	0	0	113.2	P422 T452 T476 D477 V478 L483 F511	P422-L480 HydrophobicContact CB-CB 3.92Å; T452-L480 PolarHBondContact OG1-O 3.45Å; T476-L480 WeakPolarHBondContact O-CB 3.4Å; T476-L480 WeakPolarHBondContact O-CG 3.21Å; T476-L480 PolarHBondContact O-N 2.82Å; D477-L480 PolarHBondContact O-N 3.2Å; V478-L480 VanDerWaalsContact C-N 3.35Å; V478-L480 PolarHBondContact O-N 2.98Å; L480-L483 HydrophobicContact CD2-CD1 4.39Å; L480-L483 WeakPolarHBondContact O-CD1 3.16Å; L480-F511 HydrophobicContact CD2-CD1 4Å; L480-F511 HydrophobicContact CD2-CE1 3.23Å; L480-F511 HydrophobicContact CD2-CZ 3.97Å
481	S	87.2	Confident	76.8	Confident	3 Å²	3	31.2 Å²	31.2	2%	0.021	17%	0.17	C	C	.	.	H	α-helix	trans	-86.5	-11.6	-178.7	-59.6	0	0	0	0	113.6	S418 T419 D421 P422 Y443 D477 V478 L479	S418-S481 WeakPolarHBondContact O-CB 3.41Å; T419-S481 VanDerWaalsContact O-CB 3.3Å; T419-S481 WeakPolarHBondContact O-CB 3.48Å; D421-S481 VanDerWaalsContact C-OG 3.22Å; D421-S481 PolarHBondContact N-OG 3.31Å; P422-S481 VanDerWaalsContact CA-OG 3.31Å; P422-S481 WeakPolarHBondContact CA-OG 3.18Å; P422-S481 VanDerWaalsContact N-OG 3.1Å; Y443-S481 WeakPolarHBondContact CE1-O 3.45Å; Y443-S481 PolarHBondContact OH-O 3.43Å; D477-S481 VanDerWaalsContact O-CB 3.3Å; D477-S481 WeakPolarHBondContact O-CB 3.17Å; D477-S481 PolarHBondContact O-N 3.22Å; D477-S481 PolarHBondContact O-OG 3.01Å; V478-S481 WeakPolarHBondContact O-CB 3.43Å; V478-S481 PolarHBondContact O-N 2.99Å; V478-S481 VanDerWaalsContact O-N 3.15Å; L479-S481 PolarHBondContact O-N 2.76Å
482	Q	85.2	Confident	78.8	Confident	17 Å²	17	31.4 Å²	31.4	8%	0.079	18%	0.175	C	C	.	.	S	Bend	trans	-118	19.5	-173.6	-60.4	-172.8	27.5	0	0	113	N107 A110 Y444 Y462 V478 L479	N107-Q482 PolarHBondContact ND2-OE1 2.8Å; A110-Q482 WeakPolarHBondContact CB-O 3.43Å; Y444-Q482 PolarHBondContact OH-O 3.3Å; Y462-Q482 HydrophobicContact CD1-CB 4.04Å; Y462-Q482 WeakPolarHBondContact CD2-O 3.4Å; Y462-Q482 HydrophobicContact CE1-CB 3.79Å; Y462-Q482 WeakPolarHBondContact CE2-O 3.43Å; Y462-Q482 VanDerWaalsContact CG-O 3.3Å; V478-Q482 WeakPolarHBondContact O-CG 3.47Å; V478-Q482 PolarHBondContact O-N 2.91Å; L479-Q482 PolarHBondContact O-N 3.49Å
483	L	87.1	Confident	80.9	Confident	4 Å²	4	31.4 Å²	31.4	2%	0.021	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-65.9	148.1	-177.5	-63.7	169	0	0	0	111.8	Y444 T452 L480 Y507 F511	Y444-L483 WeakPolarHBondContact CE2-O 3.19Å; Y444-L483 PolarHBondContact OH-O 3.13Å; T452-L483 HydrophobicContact CG2-CD1 3.72Å; L480-L483 HydrophobicContact CD2-CD1 4.39Å; L480-L483 WeakPolarHBondContact O-CD1 3.16Å; L483-Y507 HydrophobicContact CB-CE2 3.84Å; L483-Y507 HydrophobicContact CD1-CE2 4.06Å; L483-Y507 HydrophobicContact CD2-CE2 4.05Å; L483-Y507 HydrophobicContact CG-CE2 4.19Å; L483-F511 HydrophobicContact CD1-CD1 4.13Å; L483-F511 HydrophobicContact CD1-CD2 4.15Å; L483-F511 HydrophobicContact CD1-CE1 4.1Å; L483-F511 HydrophobicContact CD1-CE2 4.08Å; L483-F511 HydrophobicContact CD1-CG 4.16Å; L483-F511 HydrophobicContact CD1-CZ 4.05Å; L483-F511 HydrophobicContact CD2-CE2 4.01Å; L483-F511 HydrophobicContact CD2-CZ 4.12Å
484	P	90	Very high	83.3	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.148	C	C	.	.	P	Polyproline II helix	trans	-54	141.1	179.4	-26.8	33.8	0	0	0	113.7	A110 Y462 F464 P486 F494 F504 Y507	A110-P484 CarbonylContact O-C 3.52Å; A110-P484 WeakPolarHBondContact O-CA 3.46Å; Y462-P484 HydrophobicContact CD2-CG 4.45Å; F464-P484 HydrophobicContact CD2-CG 4.14Å; F464-P484 HydrophobicContact CE2-CB 3.72Å; F464-P484 HydrophobicContact CE2-CG 3.26Å; F464-P484 HydrophobicContact CZ-CB 4.16Å; F464-P484 HydrophobicContact CZ-CG 3.7Å; P484-P486 WeakPolarHBondContact O-CD 3.5Å; P484-F494 HydrophobicContact CB-CD2 4.19Å; P484-F494 HydrophobicContact CB-CE2 4.25Å; P484-F494 HydrophobicContact CB-CG 4.37Å; P484-F494 HydrophobicContact CB-CZ 4.45Å; P484-F504 HydrophobicContact CB-CE2 4.04Å; P484-Y507 HydrophobicContact CB-CE1 4.47Å; P484-Y507 PolarHBondContact O-OH 3.23Å
485	M	93.9	Very high	85.2	Confident	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.118	C	C	.	.	P	Polyproline II helix	trans	-61.8	120.3	177.1	-177	56.5	175.4	0	0	110.7	A110 Y111 Y131 Y444 E447 W487 V517	A110-M485 PolarHBondContact O-N 3.06Å; Y111-M485 HydrophobicContact CD2-CB 4.07Å; Y111-M485 HydrophobicContact CD2-CG 4.11Å; Y111-M485 HydrophobicContact CE2-CG 4.06Å; Y131-M485 HydrophobicContact CE1-CE 4.45Å; Y444-M485 HydrophobicContact CD2-CB 3.98Å; Y444-M485 HydrophobicContact CD2-CG 4.34Å; Y444-M485 HydrophobicContact CD2-SD 3.83Å; Y444-M485 HydrophobicContact CE2-CB 4.11Å; E447-M485 WeakPolarHBondContact OE1-CE 3.47Å; M485-W487 VanDerWaalsContact C-N 3.31Å; M485-W487 HydrophobicContact CG-CD2 3.98Å; M485-W487 HydrophobicContact CG-CG 4.26Å; M485-W487 HydrophobicContact CG-CZ2 3.84Å; M485-W487 PolarHBondContact O-N 3.25Å; M485-V517 HydrophobicContact CE-CG2 3.45Å; M485-V517 VanDerWaalsContact CE-CG2 3.45Å
486	P	93.2	Very high	86.6	Confident	1 Å²	1	21.8 Å²	21.8	1%	0.006	13%	0.129	C	C	.	.			trans	-79.5	75.7	-178.8	33.6	-37.7	0	0	0	111.4	L448 P484 L508 I513 T516 V517	L448-P486 HydrophobicContact CD1-CB 4.5Å; L448-P486 HydrophobicContact CD1-CG 3.42Å; L448-P486 VanDerWaalsContact CD1-CG 3.42Å; P484-P486 WeakPolarHBondContact O-CD 3.5Å; P486-L508 HydrophobicContact CB-CD2 3.71Å; P486-I513 HydrophobicContact CB-CG2 4.12Å; P486-I513 HydrophobicContact CG-CG2 4.26Å; P486-T516 HydrophobicContact CB-CG2 4.33Å; P486-T516 CarbonylContact O-C 3.58Å; P486-T516 VanDerWaalsContact O-CA 3.26Å; P486-T516 WeakPolarHBondContact O-CA 3.28Å; P486-T516 VanDerWaalsContact O-CB 3.28Å; P486-T516 WeakPolarHBondContact O-CB 3.18Å; P486-V517 PolarHBondContact O-N 2.63Å
487	W	95.5	Very high	87.7	Confident	12 Å²	12	23.8 Å²	23.8	5%	0.045	14%	0.137	C	C	.	.			trans	-64.2	-42.5	177.5	-68.6	106.3	0	0	0	112.7	Y111 R128 Y131 M485 G493 V517 E518	Y111-W487 HydrophobicContact CD1-CZ2 4.21Å; Y111-W487 HydrophobicContact CD2-CZ2 4.27Å; Y111-W487 HydrophobicContact CE1-CH2 4.2Å; Y111-W487 AromaticContact CE1-CZ2 3.71Å; Y111-W487 HydrophobicContact CE1-CZ2 3.71Å; Y111-W487 HydrophobicContact CE2-CH2 4.22Å; Y111-W487 AromaticContact CE2-CZ2 3.73Å; Y111-W487 HydrophobicContact CE2-CZ2 3.73Å; Y111-W487 HydrophobicContact CG-CZ2 4.49Å; Y111-W487 AromaticContact CZ-CH2 3.7Å; Y111-W487 AromaticContact CZ-CZ2 3.43Å; Y111-W487 VanDerWaalsContact CZ-CZ2 3.43Å; Y111-W487 PolarHBondContact O-NE1 2.92Å; Y111-W487 WeakPolarHBondContact OH-CH2 3.46Å; R128-W487 HydrophobicContact CB-CH2 4.27Å; R128-W487 HydrophobicContact CB-CZ2 4.29Å; R128-W487 HydrophobicContact CG-CH2 4.07Å; R128-W487 HydrophobicContact CG-CZ2 3.78Å; Y131-W487 AromaticContact CD1-CH2 3.54Å; Y131-W487 HydrophobicContact CD1-CH2 3.54Å; Y131-W487 AromaticContact CD1-CZ3 3.83Å; Y131-W487 HydrophobicContact CD1-CZ3 3.83Å; Y131-W487 HydrophobicContact CD2-CH2 4.39Å; Y131-W487 AromaticContact CD2-CZ3 3.86Å; Y131-W487 HydrophobicContact CD2-CZ3 3.86Å; Y131-W487 AromaticContact CE1-CH2 3.72Å; Y131-W487 HydrophobicContact CE1-CH2 3.72Å; Y131-W487 AromaticContact CE1-CZ3 3.84Å; Y131-W487 HydrophobicContact CE1-CZ3 3.84Å; Y131-W487 AromaticContact CE2-CZ3 3.87Å; Y131-W487 HydrophobicContact CE2-CZ3 3.87Å; Y131-W487 AromaticContact CG-CH2 3.87Å; Y131-W487 HydrophobicContact CG-CH2 3.87Å; Y131-W487 AromaticContact CG-CZ3 3.81Å; Y131-W487 HydrophobicContact CG-CZ3 3.81Å; Y131-W487 AromaticContact CZ-CZ3 3.83Å; M485-W487 VanDerWaalsContact C-N 3.31Å; M485-W487 HydrophobicContact CG-CD2 3.98Å; M485-W487 HydrophobicContact CG-CG 4.26Å; M485-W487 HydrophobicContact CG-CZ2 3.84Å; M485-W487 PolarHBondContact O-N 3.25Å; W487-G493 VanDerWaalsContact CD1-C 3.42Å; W487-G493 VanDerWaalsContact CD1-O 3.26Å; W487-V517 HydrophobicContact CD2-CG2 4.49Å; W487-V517 HydrophobicContact CE3-CB 3.87Å; W487-V517 HydrophobicContact CE3-CG1 3.97Å; W487-V517 HydrophobicContact CE3-CG2 3.73Å; W487-V517 HydrophobicContact CZ3-CB 4.37Å; W487-V517 HydrophobicContact CZ3-CG1 4.09Å; W487-V517 HydrophobicContact CZ3-CG2 4.04Å; W487-V517 PolarHBondContact O-N 2.9Å; W487-E518 WeakPolarHBondContact O-CB 3.36Å; W487-E518 PolarHBondContact O-N 3.18Å
488	D	94	Very high	88.2	Confident	17 Å²	17	21.9 Å²	21.9	9%	0.091	13%	0.127	C	C	.	.	S	Bend	trans	-152.3	178.2	-179.9	64.4	73.6	0	0	0	111	S490 G491 A492 G493 F504 E518	D488-S490 VanDerWaalsContact OD1-CA 3.32Å; D488-S490 WeakPolarHBondContact OD1-CA 3.35Å; D488-S490 WeakPolarHBondContact OD1-CB 3.46Å; D488-S490 PolarHBondContact OD1-N 2.78Å; D488-S490 PolarHBondContact OD1-OG 2.72Å; D488-G491 PolarHBondContact OD1-N 2.98Å; D488-A492 PolarHBondContact OD1-N 3.09Å; D488-G493 VanDerWaalsContact OD2-CA 3.27Å; D488-G493 WeakPolarHBondContact OD2-CA 3.38Å; D488-G493 PolarHBondContact OD2-N 2.96Å; D488-F504 WeakPolarHBondContact O-CE1 3.31Å; D488-E518 HydrophobicContact CB-CB 4.13Å
489	Q	90	Very high	88	Confident	80 Å²	80	24 Å²	24	37%	0.374	14%	0.143	S	C	.	.	S	Bend	trans	-77.1	-19.3	-175.1	-68.3	-69.5	-28.3	0	0	114.2	T505 N514 T516	Q489-T505 PolarHBondContact O-OG1 3.31Å; Q489-T505 VanDerWaalsContact O-OG1 3.1Å; Q489-N514 PolarHBondContact NE2-O 3.01Å; Q489-T516 HydrophobicContact CG-CG2 4.23Å
490	S	88.7	Confident	87.7	Confident	43 Å²	43	28.5 Å²	28.5	30%	0.301	17%	0.167	S	C	.	.	S	Bend	trans	-95.5	-18.7	-178.1	72	0	0	0	0	113.6	D488 A492	D488-S490 VanDerWaalsContact OD1-CA 3.32Å; D488-S490 WeakPolarHBondContact OD1-CA 3.35Å; D488-S490 WeakPolarHBondContact OD1-CB 3.46Å; D488-S490 PolarHBondContact OD1-N 2.78Å; D488-S490 PolarHBondContact OD1-OG 2.72Å; S490-A492 VanDerWaalsContact C-N 3.3Å; S490-A492 VanDerWaalsContact OG-CB 3.31Å; S490-A492 WeakPolarHBondContact OG-CB 3.26Å; S490-A492 PolarHBondContact OG-N 3.1Å
491	G	89.7	Confident	87	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.178	C	C	.	.	S	Bend	trans	84.8	-2.9	-172.7	0	0	0	0	0	114.4	D488 G493 F494 S495	D488-G491 PolarHBondContact OD1-N 2.98Å; G491-G493 PolarHBondContact O-N 2.82Å; G491-F494 WeakPolarHBondContact O-CB 3.24Å; G491-F494 PolarHBondContact O-N 2.95Å; G491-S495 PolarHBondContact O-N 2.9Å; G491-S495 VanDerWaalsContact O-O 3.13Å
492	A	91.1	Very high	86.1	Confident	34 Å²	34	34.9 Å²	34.9	28%	0.281	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-32.6	-176.4	0	0	0	0	0	113.4	D488 S490 F494 S495 P496	D488-A492 PolarHBondContact OD1-N 3.09Å; S490-A492 VanDerWaalsContact C-N 3.3Å; S490-A492 VanDerWaalsContact OG-CB 3.31Å; S490-A492 WeakPolarHBondContact OG-CB 3.26Å; S490-A492 PolarHBondContact OG-N 3.1Å; A492-F494 VanDerWaalsContact C-N 3.35Å; A492-S495 WeakPolarHBondContact CA-O 3.47Å; A492-S495 CarbonylContact O-C 3.55Å; A492-S495 VanDerWaalsContact O-C 3.29Å; A492-P496 WeakPolarHBondContact O-CA 3.48Å
493	G	92.2	Very high	85.6	Confident	11 Å²	11	34.6 Å²	34.6	11%	0.113	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-22.6	177	0	0	0	0	0	113.4	R128 W487 D488 G491	R128-G493 PolarHBondContact NH2-O 2.87Å; W487-G493 VanDerWaalsContact CD1-C 3.42Å; W487-G493 VanDerWaalsContact CD1-O 3.26Å; D488-G493 VanDerWaalsContact OD2-CA 3.27Å; D488-G493 WeakPolarHBondContact OD2-CA 3.38Å; D488-G493 PolarHBondContact OD2-N 2.96Å; G491-G493 PolarHBondContact O-N 2.82Å
494	F	92.4	Very high	85.3	Confident	3 Å²	3	34.4 Å²	34.4	1%	0.013	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-53.8	167.2	171.3	-99.5	0	0	0	110	A110 D113 K118 F464 P484 G491 A492 L498 F504	A110-F494 VanDerWaalsContact C-CE2 3.41Å; A110-F494 WeakPolarHBondContact O-CE2 3.16Å; D113-F494 WeakPolarHBondContact CB-O 3.4Å; D113-F494 PolarHBondContact N-O 3.42Å; K118-F494 WeakPolarHBondContact O-CE1 3.33Å; F464-F494 HydrophobicContact CD2-CD1 4.22Å; F464-F494 AromaticContact CD2-CE1 3.59Å; F464-F494 HydrophobicContact CD2-CE1 3.59Å; F464-F494 HydrophobicContact CD2-CZ 4.36Å; F464-F494 AromaticContact CE2-CD1 3.8Å; F464-F494 HydrophobicContact CE2-CD1 3.8Å; F464-F494 AromaticContact CE2-CE1 3.56Å; F464-F494 HydrophobicContact CE2-CE1 3.56Å; F464-F494 HydrophobicContact CE2-CZ 4.32Å; P484-F494 HydrophobicContact CB-CD2 4.19Å; P484-F494 HydrophobicContact CB-CE2 4.25Å; P484-F494 HydrophobicContact CB-CG 4.37Å; P484-F494 HydrophobicContact CB-CZ 4.45Å; G491-F494 WeakPolarHBondContact O-CB 3.24Å; G491-F494 PolarHBondContact O-N 2.95Å; A492-F494 VanDerWaalsContact C-N 3.35Å; F494-L498 HydrophobicContact CD1-CD1 3.64Å; F494-L498 HydrophobicContact CE1-CD1 4.19Å; F494-F504 HydrophobicContact CB-CE2 3.9Å; F494-F504 HydrophobicContact CB-CZ 4.36Å; F494-F504 HydrophobicContact CD1-CE2 4.29Å; F494-F504 HydrophobicContact CG-CE2 4.22Å
495	S	91.3	Very high	84.9	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	23%	0.225	C	C	.	.			trans	-144.3	124.7	176.6	175.9	0	0	0	0	109.9	D113 G491 A492 I497 L498	D113-S495 VanDerWaalsContact OD2-CB 3.23Å; D113-S495 WeakPolarHBondContact OD2-CB 3.37Å; D113-S495 PolarHBondContact OD2-OG 3.08Å; G491-S495 PolarHBondContact O-N 2.9Å; G491-S495 VanDerWaalsContact O-O 3.13Å; A492-S495 WeakPolarHBondContact CA-O 3.47Å; A492-S495 CarbonylContact O-C 3.55Å; A492-S495 VanDerWaalsContact O-C 3.29Å; S495-I497 PolarHBondContact O-N 2.85Å; S495-I497 VanDerWaalsContact O-N 3.09Å; S495-L498 WeakPolarHBondContact O-CB 3.44Å; S495-L498 PolarHBondContact O-N 3.13Å
496	P	86.4	Confident	84.3	Confident	70 Å²	70	42.7 Å²	42.7	46%	0.455	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-57.4	-29.6	-174.7	-26.6	34	0	0	0	114.7	N116 A492 L498	N116-P496 WeakPolarHBondContact OD1-CB 2.91Å; N116-P496 WeakPolarHBondContact OD1-CD 3.44Å; N116-P496 WeakPolarHBondContact OD1-CG 3.47Å; A492-P496 WeakPolarHBondContact O-CA 3.48Å; P496-L498 VanDerWaalsContact C-N 3.28Å; P496-L498 PolarHBondContact O-N 2.77Å
497	I	86.3	Confident	83.8	Confident	82 Å²	82	42.7 Å²	42.7	42%	0.421	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-75.1	-16.1	-178.3	-159.2	165.9	0	0	0	113.4	N116 K118 S495 S499	N116-I497 HydrophobicContact CB-CB 4.36Å; N116-I497 HydrophobicContact CB-CG2 4.46Å; K118-I497 HydrophobicContact CD-CG2 4.46Å; K118-I497 HydrophobicContact CG-CG2 3.75Å; S495-I497 PolarHBondContact O-N 2.85Å; S495-I497 VanDerWaalsContact O-N 3.09Å; I497-S499 VanDerWaalsContact C-N 3.25Å; I497-S499 PolarHBondContact O-N 2.73Å
498	L	83.8	Confident	83.4	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-73.1	-14.9	-179	-68.7	179.8	0	0	0	113.6	K118 F464 F494 S495 P496 N500 V501 F504	K118-L498 HydrophobicContact CD-CD2 3.81Å; K118-L498 HydrophobicContact CG-CD2 3.89Å; K118-L498 HydrophobicContact CG-CG 4.3Å; F464-L498 HydrophobicContact CD1-CD1 4.42Å; F464-L498 HydrophobicContact CD1-CD2 4.31Å; F464-L498 HydrophobicContact CD2-CD1 4.04Å; F464-L498 HydrophobicContact CE1-CD1 4.25Å; F464-L498 HydrophobicContact CE2-CD1 3.87Å; F464-L498 HydrophobicContact CG-CD1 4.33Å; F464-L498 HydrophobicContact CG-CD2 4.45Å; F464-L498 HydrophobicContact CZ-CD1 4.05Å; F494-L498 HydrophobicContact CD1-CD1 3.64Å; F494-L498 HydrophobicContact CE1-CD1 4.19Å; S495-L498 WeakPolarHBondContact O-CB 3.44Å; S495-L498 PolarHBondContact O-N 3.13Å; P496-L498 VanDerWaalsContact C-N 3.28Å; P496-L498 PolarHBondContact O-N 2.77Å; L498-N500 PolarHBondContact O-N 3.44Å; L498-V501 HydrophobicContact CD2-CB 4.31Å; L498-V501 HydrophobicContact CD2-CG2 4.43Å; L498-V501 PolarHBondContact O-N 3.28Å; L498-F504 HydrophobicContact CD1-CD2 3.72Å; L498-F504 HydrophobicContact CD1-CE2 4.46Å
499	S	72	Confident	83	Confident	63 Å²	63	49.5 Å²	49.5	44%	0.441	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-56.5	-22.3	178.7	72.4	0	0	0	0	113.9	I497	I497-S499 VanDerWaalsContact C-N 3.25Å; I497-S499 PolarHBondContact O-N 2.73Å
500	N	68	Low	82.6	Confident	149 Å²	149	46.7 Å²	46.7	80%	0.797	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-104.4	4.1	-179.7	-67	-16	0	0	0	113.4	L498	L498-N500 PolarHBondContact O-N 3.44Å
501	V	68.4	Low	82.4	Confident	45 Å²	45	45 Å²	45	27%	0.273	26%	0.255	S	S	.	.			trans	-117.2	124.3	-175.4	-167.7	0	0	0	0	109	L498 S503	L498-V501 HydrophobicContact CD2-CB 4.31Å; L498-V501 HydrophobicContact CD2-CG2 4.43Å; L498-V501 PolarHBondContact O-N 3.28Å; V501-S503 VanDerWaalsContact CG1-OG 3.26Å; V501-S503 WeakPolarHBondContact CG1-OG 3.06Å; V501-S503 PolarHBondContact O-N 2.89Å; V501-S503 VanDerWaalsContact O-N 3.16Å
502	T	68.6	Low	82.3	Confident	101 Å²	101	52.5 Å²	52.5	62%	0.62	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-13.4	-178	53	0	0	0	0	113.7	F504 T505 E506	T502-F504 PolarHBondContact O-N 3.23Å; T502-T505 PolarHBondContact O-N 3.44Å; T502-E506 WeakPolarHBondContact O-CG 3.22Å; T502-E506 PolarHBondContact O-N 2.87Å
503	S	75.2	Confident	82.2	Confident	11 Å²	11	51.1 Å²	51.1	8%	0.077	28%	0.276	C	S	.	.	H	α-helix	trans	-56.1	-50.5	-175.4	63.5	0	0	0	0	111	F461 V501 T505 E506 Y507	F461-S503 VanDerWaalsContact CE1-CB 3.47Å; F461-S503 WeakPolarHBondContact CE1-O 3.35Å; F461-S503 WeakPolarHBondContact CZ-O 3.34Å; V501-S503 VanDerWaalsContact CG1-OG 3.26Å; V501-S503 WeakPolarHBondContact CG1-OG 3.06Å; V501-S503 PolarHBondContact O-N 2.89Å; V501-S503 VanDerWaalsContact O-N 3.16Å; S503-T505 VanDerWaalsContact C-N 3.34Å; S503-T505 PolarHBondContact O-N 2.87Å; S503-E506 CarbonylContact O-C 3.59Å; S503-E506 WeakPolarHBondContact O-CA 3.42Å; S503-E506 WeakPolarHBondContact O-CB 3.32Å; S503-E506 PolarHBondContact O-N 2.9Å; S503-Y507 PolarHBondContact O-N 2.99Å
504	F	81.5	Confident	82.1	Confident	0 Å²	0	56 Å²	56	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-60.6	-42.3	-175.7	-162.1	-82.2	0	0	0	112.7	F464 P484 D488 F494 L498 T502 E506 Y507 L508	F464-F504 HydrophobicContact CE1-CB 4.28Å; F464-F504 AromaticContact CE1-CD2 3.89Å; F464-F504 HydrophobicContact CE1-CD2 3.89Å; F464-F504 AromaticContact CE2-CD2 3.87Å; F464-F504 HydrophobicContact CE2-CD2 3.87Å; F464-F504 HydrophobicContact CE2-CE2 4.08Å; F464-F504 HydrophobicContact CZ-CB 4.4Å; F464-F504 AromaticContact CZ-CD2 3.19Å; F464-F504 HydrophobicContact CZ-CD2 3.19Å; F464-F504 AromaticContact CZ-CE2 3.71Å; F464-F504 HydrophobicContact CZ-CE2 3.71Å; F464-F504 HydrophobicContact CZ-CG 4.14Å; P484-F504 HydrophobicContact CB-CE2 4.04Å; D488-F504 WeakPolarHBondContact O-CE1 3.31Å; F494-F504 HydrophobicContact CB-CE2 3.9Å; F494-F504 HydrophobicContact CB-CZ 4.36Å; F494-F504 HydrophobicContact CD1-CE2 4.29Å; F494-F504 HydrophobicContact CG-CE2 4.22Å; L498-F504 HydrophobicContact CD1-CD2 3.72Å; L498-F504 HydrophobicContact CD1-CE2 4.46Å; T502-F504 PolarHBondContact O-N 3.23Å; F504-E506 VanDerWaalsContact C-N 3.33Å; F504-E506 PolarHBondContact O-N 3.06Å; F504-Y507 HydrophobicContact CD1-CD1 4.27Å; F504-Y507 HydrophobicContact CD2-CD1 4.41Å; F504-Y507 HydrophobicContact CE1-CD1 4.16Å; F504-Y507 HydrophobicContact CE1-CE1 4.27Å; F504-Y507 HydrophobicContact CE2-CD1 4.29Å; F504-Y507 HydrophobicContact CE2-CE1 4.35Å; F504-Y507 HydrophobicContact CG-CD1 4.39Å; F504-Y507 HydrophobicContact CZ-CD1 4.15Å; F504-Y507 HydrophobicContact CZ-CE1 4Å; F504-Y507 VanDerWaalsContact O-CB 3.26Å; F504-Y507 WeakPolarHBondContact O-CB 3.19Å; F504-Y507 PolarHBondContact O-N 2.81Å; F504-L508 HydrophobicContact CD1-CD1 3.98Å; F504-L508 HydrophobicContact CD1-CG 4Å; F504-L508 HydrophobicContact CE1-CD1 3.88Å; F504-L508 HydrophobicContact CE1-CD2 3.93Å; F504-L508 HydrophobicContact CE1-CG 3.89Å; F504-L508 PolarHBondContact O-N 2.81Å
505	T	81.6	Confident	82.1	Confident	69 Å²	69	58.2 Å²	58.2	42%	0.423	31%	0.31	S	S	.	.	H	α-helix	trans	-66.3	-36	176.2	-53.4	0	0	0	0	111.9	Q489 T502 S503 L508 K509	Q489-T505 PolarHBondContact O-OG1 3.31Å; Q489-T505 VanDerWaalsContact O-OG1 3.1Å; T502-T505 PolarHBondContact O-N 3.44Å; S503-T505 VanDerWaalsContact C-N 3.34Å; S503-T505 PolarHBondContact O-N 2.87Å; T505-L508 PolarHBondContact O-N 2.63Å; T505-K509 WeakPolarHBondContact O-CB 3.4Å; T505-K509 PolarHBondContact O-N 2.77Å
506	E	81	Confident	82.3	Confident	106 Å²	106	58.2 Å²	58.2	50%	0.495	31%	0.31	S	S	.	.	H	α-helix	trans	-65	-38.5	172.6	-72.4	172.7	-170.3	0	0	112	T502 S503 F504 K509 A510	T502-E506 WeakPolarHBondContact O-CG 3.22Å; T502-E506 PolarHBondContact O-N 2.87Å; S503-E506 CarbonylContact O-C 3.59Å; S503-E506 WeakPolarHBondContact O-CA 3.42Å; S503-E506 WeakPolarHBondContact O-CB 3.32Å; S503-E506 PolarHBondContact O-N 2.9Å; F504-E506 VanDerWaalsContact C-N 3.33Å; F504-E506 PolarHBondContact O-N 3.06Å; E506-K509 PolarHBondContact O-N 3.26Å; E506-A510 WeakPolarHBondContact O-CB 3.26Å; E506-A510 PolarHBondContact O-N 3.17Å
507	Y	82.5	Confident	82.8	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-56	-56.4	170.5	150.2	-111	0	0	0	111	F461 L483 P484 S503 F504 K509 A510 F511 I513	F461-Y507 HydrophobicContact CD1-CG 4.46Å; L483-Y507 HydrophobicContact CB-CE2 3.84Å; L483-Y507 HydrophobicContact CD1-CE2 4.06Å; L483-Y507 HydrophobicContact CD2-CE2 4.05Å; L483-Y507 HydrophobicContact CG-CE2 4.19Å; P484-Y507 HydrophobicContact CB-CE1 4.47Å; P484-Y507 PolarHBondContact O-OH 3.23Å; S503-Y507 PolarHBondContact O-N 2.99Å; F504-Y507 HydrophobicContact CD1-CD1 4.27Å; F504-Y507 HydrophobicContact CD2-CD1 4.41Å; F504-Y507 HydrophobicContact CE1-CD1 4.16Å; F504-Y507 HydrophobicContact CE1-CE1 4.27Å; F504-Y507 HydrophobicContact CE2-CD1 4.29Å; F504-Y507 HydrophobicContact CE2-CE1 4.35Å; F504-Y507 HydrophobicContact CG-CD1 4.39Å; F504-Y507 HydrophobicContact CZ-CD1 4.15Å; F504-Y507 HydrophobicContact CZ-CE1 4Å; F504-Y507 VanDerWaalsContact O-CB 3.26Å; F504-Y507 WeakPolarHBondContact O-CB 3.19Å; F504-Y507 PolarHBondContact O-N 2.81Å; Y507-K509 VanDerWaalsContact C-N 3.28Å; Y507-K509 PolarHBondContact O-N 3.34Å; Y507-A510 PolarHBondContact O-N 3.43Å; Y507-A510 VanDerWaalsContact O-N 3.15Å; Y507-F511 AromaticContact CD2-CD2 3.33Å; Y507-F511 HydrophobicContact CD2-CD2 3.33Å; Y507-F511 AromaticContact CD2-CE2 3.62Å; Y507-F511 HydrophobicContact CD2-CE2 3.62Å; Y507-F511 AromaticContact CE2-CD2 3.5Å; Y507-F511 HydrophobicContact CE2-CD2 3.5Å; Y507-F511 VanDerWaalsContact CE2-CD2 3.5Å; Y507-F511 AromaticContact CE2-CE2 3.95Å; Y507-F511 HydrophobicContact CE2-CE2 3.95Å; Y507-F511 HydrophobicContact CE2-CG 4.37Å; Y507-F511 HydrophobicContact CG-CD2 4.45Å; Y507-F511 VanDerWaalsContact O-CD2 3.28Å; Y507-F511 WeakPolarHBondContact O-CD2 3.2Å; Y507-F511 PolarHBondContact O-N 3.23Å; Y507-F511 VanDerWaalsContact O-N 3.08Å; Y507-I513 HydrophobicContact CE1-CD1 4.26Å; Y507-I513 HydrophobicContact CE2-CD1 4.01Å; Y507-I513 WeakPolarHBondContact OH-CD1 3.22Å
508	L	87	Confident	83.2	Confident	3 Å²	3	56.8 Å²	56.8	2%	0.016	30%	0.296	C	S	.	.	H	α-helix	trans	-55.9	-45.1	179.4	-64.5	179.6	0	0	0	111.3	P486 F504 T505 K512 I513 T516	P486-L508 HydrophobicContact CB-CD2 3.71Å; F504-L508 HydrophobicContact CD1-CD1 3.98Å; F504-L508 HydrophobicContact CD1-CG 4Å; F504-L508 HydrophobicContact CE1-CD1 3.88Å; F504-L508 HydrophobicContact CE1-CD2 3.93Å; F504-L508 HydrophobicContact CE1-CG 3.89Å; F504-L508 PolarHBondContact O-N 2.81Å; T505-L508 PolarHBondContact O-N 2.63Å; L508-K512 CarbonylContact O-C 3.58Å; L508-K512 WeakPolarHBondContact O-CA 3.46Å; L508-K512 PolarHBondContact O-N 3.15Å; L508-I513 HydrophobicContact CB-CB 4.44Å; L508-I513 HydrophobicContact CD2-CB 3.92Å; L508-I513 HydrophobicContact CD2-CD1 4.09Å; L508-I513 HydrophobicContact CD2-CG2 3.82Å; L508-I513 PolarHBondContact O-N 3.46Å; L508-T516 HydrophobicContact CD1-CG2 4.32Å
509	K	85.6	Confident	83.7	Confident	169 Å²	169	58 Å²	58	74%	0.735	31%	0.305	S	S	*	.	H	α-helix	trans	-65.1	-42.3	178.6	-174.9	-179.6	178.6	-177.2	0	112.8	T505 E506 Y507 F511 K512	T505-K509 WeakPolarHBondContact O-CB 3.4Å; T505-K509 PolarHBondContact O-N 2.77Å; E506-K509 PolarHBondContact O-N 3.26Å; Y507-K509 VanDerWaalsContact C-N 3.28Å; Y507-K509 PolarHBondContact O-N 3.34Å; K509-F511 VanDerWaalsContact C-N 3.32Å; K509-F511 PolarHBondContact O-N 2.88Å; K509-K512 PolarHBondContact O-N 3.12Å
510	A	81.8	Confident	84.8	Confident	21 Å²	21	55.4 Å²	55.4	17%	0.174	29%	0.287	C	S	.	.	H	α-helix	trans	-65.6	-36.3	-178.1	0	0	0	0	0	112.2	N454 F457 E506 Y507	N454-A510 PolarHBondContact ND2-O 3.28Å; F457-A510 HydrophobicContact CD2-CB 3.44Å; F457-A510 VanDerWaalsContact CD2-CB 3.44Å; F457-A510 HydrophobicContact CE2-CB 3.3Å; F457-A510 HydrophobicContact CG-CB 4.34Å; F457-A510 HydrophobicContact CZ-CB 4.09Å; E506-A510 WeakPolarHBondContact O-CB 3.26Å; E506-A510 PolarHBondContact O-N 3.17Å; Y507-A510 PolarHBondContact O-N 3.43Å; Y507-A510 VanDerWaalsContact O-N 3.15Å
511	F	84.6	Confident	86	Confident	7 Å²	7	51.8 Å²	51.8	3%	0.031	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92	2.7	175.3	-65.3	-70.5	0	0	0	113.7	N454 F457 L480 L483 Y507 K509 I513	N454-F511 HydrophobicContact CB-CD1 3.99Å; N454-F511 HydrophobicContact CB-CE1 4Å; F457-F511 HydrophobicContact CB-CE1 4.49Å; F457-F511 HydrophobicContact CB-CZ 3.94Å; F457-F511 AromaticContact CD1-CE2 3.65Å; F457-F511 HydrophobicContact CD1-CE2 3.65Å; F457-F511 AromaticContact CD1-CZ 3.62Å; F457-F511 HydrophobicContact CD1-CZ 3.62Å; F457-F511 AromaticContact CE1-CE2 3.78Å; F457-F511 HydrophobicContact CE1-CE2 3.78Å; F457-F511 HydrophobicContact CE1-CZ 4.23Å; F457-F511 HydrophobicContact CG-CE2 4.1Å; F457-F511 AromaticContact CG-CZ 3.91Å; F457-F511 HydrophobicContact CG-CZ 3.91Å; F457-F511 HydrophobicContact CZ-CE2 4.4Å; L480-F511 HydrophobicContact CD2-CD1 4Å; L480-F511 HydrophobicContact CD2-CE1 3.23Å; L480-F511 HydrophobicContact CD2-CZ 3.97Å; L483-F511 HydrophobicContact CD1-CD1 4.13Å; L483-F511 HydrophobicContact CD1-CD2 4.15Å; L483-F511 HydrophobicContact CD1-CE1 4.1Å; L483-F511 HydrophobicContact CD1-CE2 4.08Å; L483-F511 HydrophobicContact CD1-CG 4.16Å; L483-F511 HydrophobicContact CD1-CZ 4.05Å; L483-F511 HydrophobicContact CD2-CE2 4.01Å; L483-F511 HydrophobicContact CD2-CZ 4.12Å; Y507-F511 AromaticContact CD2-CD2 3.33Å; Y507-F511 HydrophobicContact CD2-CD2 3.33Å; Y507-F511 AromaticContact CD2-CE2 3.62Å; Y507-F511 HydrophobicContact CD2-CE2 3.62Å; Y507-F511 AromaticContact CE2-CD2 3.5Å; Y507-F511 HydrophobicContact CE2-CD2 3.5Å; Y507-F511 VanDerWaalsContact CE2-CD2 3.5Å; Y507-F511 AromaticContact CE2-CE2 3.95Å; Y507-F511 HydrophobicContact CE2-CE2 3.95Å; Y507-F511 HydrophobicContact CE2-CG 4.37Å; Y507-F511 HydrophobicContact CG-CD2 4.45Å; Y507-F511 VanDerWaalsContact O-CD2 3.28Å; Y507-F511 WeakPolarHBondContact O-CD2 3.2Å; Y507-F511 PolarHBondContact O-N 3.23Å; Y507-F511 VanDerWaalsContact O-N 3.08Å; K509-F511 VanDerWaalsContact C-N 3.32Å; K509-F511 PolarHBondContact O-N 2.88Å; F511-I513 HydrophobicContact CB-CD1 3.94Å; F511-I513 HydrophobicContact CB-CG1 3.91Å; F511-I513 PolarHBondContact O-N 3.04Å
512	K	87.4	Confident	87.2	Confident	159 Å²	159	52.3 Å²	52.3	69%	0.691	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	31.7	-179.4	-52.3	176.6	-177.6	173.3	0	113.2	L508 K509 N514	L508-K512 CarbonylContact O-C 3.58Å; L508-K512 WeakPolarHBondContact O-CA 3.46Å; L508-K512 PolarHBondContact O-N 3.15Å; K509-K512 PolarHBondContact O-N 3.12Å; K512-N514 PolarHBondContact O-N 3.1Å; K512-N514 PolarHBondContact O-ND2 3.44Å; K512-N514 VanDerWaalsContact O-ND2 3.09Å
513	I	89.5	Confident	88.3	Confident	5 Å²	5	53.6 Å²	53.6	3%	0.026	29%	0.289	C	S	.	.			trans	-74.4	109.4	175.8	-60.3	170.2	0	0	0	107.1	E450 P486 Y507 L508 F511 E515	E450-I513 HydrophobicContact CG-CG2 4.35Å; P486-I513 HydrophobicContact CB-CG2 4.12Å; P486-I513 HydrophobicContact CG-CG2 4.26Å; Y507-I513 HydrophobicContact CE1-CD1 4.26Å; Y507-I513 HydrophobicContact CE2-CD1 4.01Å; Y507-I513 WeakPolarHBondContact OH-CD1 3.22Å; L508-I513 HydrophobicContact CB-CB 4.44Å; L508-I513 HydrophobicContact CD2-CB 3.92Å; L508-I513 HydrophobicContact CD2-CD1 4.09Å; L508-I513 HydrophobicContact CD2-CG2 3.82Å; L508-I513 PolarHBondContact O-N 3.46Å; F511-I513 HydrophobicContact CB-CD1 3.94Å; F511-I513 HydrophobicContact CB-CG1 3.91Å; F511-I513 PolarHBondContact O-N 3.04Å; I513-E515 VanDerWaalsContact CG2-O 3.3Å; I513-E515 WeakPolarHBondContact CG2-O 3.25Å
514	N	89.1	Confident	88.9	Confident	112 Å²	112	57.2 Å²	57.2	60%	0.599	33%	0.329	S	S	*	.			trans	-99.2	-35.4	-178.9	-57	-61.3	0	0	0	111.1	E450 Q489 K512	E450-N514 PolarHBondContact OE1-N 3.45Å; E450-N514 VanDerWaalsContact OE1-N 3.12Å; Q489-N514 PolarHBondContact NE2-O 3.01Å; K512-N514 PolarHBondContact O-N 3.1Å; K512-N514 PolarHBondContact O-ND2 3.44Å; K512-N514 VanDerWaalsContact O-ND2 3.09Å
515	E	92.4	Very high	89.2	Confident	50 Å²	50	62.2 Å²	62.2	23%	0.234	35%	0.347	C	S	.	.			trans	-89.9	133.2	175.1	-61.8	-61.3	152.8	0	0	112.3	L448 E450 I513 S519 R525	L448-E515 HydrophobicContact CD2-CB 4.46Å; E450-E515 HydrophobicContact CG-CB 4.24Å; E450-E515 PolarHBondContact OE1-N 3.31Å; I513-E515 VanDerWaalsContact CG2-O 3.3Å; I513-E515 WeakPolarHBondContact CG2-O 3.25Å; E515-S519 PolarHBondContact OE2-OG 3.48Å; E515-R525 IonicContact OE1-CZ 3.81Å; E515-R525 IonicContact OE1-NH2 3.21Å; E515-R525 PolarHBondContact OE1-NH2 3.35Å; E515-R525 IonicContact OE2-CZ 3.19Å; E515-R525 IonicContact OE2-NE 2.7Å; E515-R525 IonicContact OE2-NH2 3.76Å; E515-R525 PolarHBondContact OE2-NH2 3.23Å
516	T	95	Very high	89.5	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	36%	0.357	C	S	.	.			trans	-115.6	168	168.7	62.2	0	0	0	0	109.1	P486 Q489 L508 E518 S519 A520	P486-T516 HydrophobicContact CB-CG2 4.33Å; P486-T516 CarbonylContact O-C 3.58Å; P486-T516 VanDerWaalsContact O-CA 3.26Å; P486-T516 WeakPolarHBondContact O-CA 3.28Å; P486-T516 VanDerWaalsContact O-CB 3.28Å; P486-T516 WeakPolarHBondContact O-CB 3.18Å; Q489-T516 HydrophobicContact CG-CG2 4.23Å; L508-T516 HydrophobicContact CD1-CG2 4.32Å; T516-E518 VanDerWaalsContact C-N 3.28Å; T516-E518 PolarHBondContact O-N 3.44Å; T516-S519 PolarHBondContact N-OG 3.1Å; T516-S519 PolarHBondContact O-N 3.26Å; T516-S519 PolarHBondContact O-OG 3.34Å; T516-S519 VanDerWaalsContact O-OG 3.14Å; T516-S519 PolarHBondContact OG1-N 2.8Å; T516-S519 VanDerWaalsContact OG1-N 3.13Å; T516-S519 PolarHBondContact OG1-OG 3.49Å; T516-A520 WeakPolarHBondContact O-CB 3.5Å; T516-A520 PolarHBondContact O-N 3.41Å
517	V	96.8	Very high	89.9	Confident	10 Å²	10	61 Å²	61	6%	0.061	36%	0.355	C	S	.	.	H	α-helix	trans	-58.2	-44.3	174.6	177.8	0	0	0	0	111.1	Y131 L448 M485 P486 W487 A520 T521	Y131-V517 HydrophobicContact CD2-CG1 4.26Å; Y131-V517 HydrophobicContact CE2-CG1 3.44Å; Y131-V517 VanDerWaalsContact CE2-CG1 3.44Å; Y131-V517 HydrophobicContact CE2-CG2 4.41Å; Y131-V517 WeakPolarHBondContact OH-CG2 3.3Å; L448-V517 HydrophobicContact CD1-CG2 4.49Å; M485-V517 HydrophobicContact CE-CG2 3.45Å; M485-V517 VanDerWaalsContact CE-CG2 3.45Å; P486-V517 PolarHBondContact O-N 2.63Å; W487-V517 HydrophobicContact CD2-CG2 4.49Å; W487-V517 HydrophobicContact CE3-CB 3.87Å; W487-V517 HydrophobicContact CE3-CG1 3.97Å; W487-V517 HydrophobicContact CE3-CG2 3.73Å; W487-V517 HydrophobicContact CZ3-CB 4.37Å; W487-V517 HydrophobicContact CZ3-CG1 4.09Å; W487-V517 HydrophobicContact CZ3-CG2 4.04Å; W487-V517 PolarHBondContact O-N 2.9Å; V517-A520 PolarHBondContact O-N 3Å; V517-T521 HydrophobicContact CG1-CG2 4.32Å; V517-T521 WeakPolarHBondContact O-CB 3.42Å; V517-T521 WeakPolarHBondContact O-CG2 3.44Å; V517-T521 PolarHBondContact O-N 3.09Å; V517-T521 PolarHBondContact O-OG1 3.18Å
518	E	95.6	Very high	90.4	Very high	112 Å²	112	61.9 Å²	61.9	52%	0.523	36%	0.36	S	S	.	.	H	α-helix	trans	-58.2	-49.6	176.2	-176.8	-170.9	-125.5	0	0	111.6	W487 D488 T516 A520 T521 S522	W487-E518 WeakPolarHBondContact O-CB 3.36Å; W487-E518 PolarHBondContact O-N 3.18Å; D488-E518 HydrophobicContact CB-CB 4.13Å; T516-E518 VanDerWaalsContact C-N 3.28Å; T516-E518 PolarHBondContact O-N 3.44Å; E518-A520 VanDerWaalsContact C-N 3.34Å; E518-A520 PolarHBondContact O-N 3.15Å; E518-T521 PolarHBondContact O-N 3.22Å; E518-T521 PolarHBondContact O-OG1 3.22Å; E518-S522 WeakPolarHBondContact O-CB 3.32Å; E518-S522 PolarHBondContact O-N 3.12Å; E518-S522 VanDerWaalsContact O-N 3.08Å; E518-S522 PolarHBondContact O-OG 3.15Å
519	S	95.1	Very high	90.5	Very high	26 Å²	26	62.8 Å²	62.8	18%	0.182	37%	0.367	C	S	.	.	H	α-helix	trans	-67.7	-35.4	-179	74.7	0	0	0	0	112.3	E515 T516 R525	E515-S519 PolarHBondContact OE2-OG 3.48Å; T516-S519 PolarHBondContact N-OG 3.1Å; T516-S519 PolarHBondContact O-N 3.26Å; T516-S519 PolarHBondContact O-OG 3.34Å; T516-S519 VanDerWaalsContact O-OG 3.14Å; T516-S519 PolarHBondContact OG1-N 2.8Å; T516-S519 VanDerWaalsContact OG1-N 3.13Å; T516-S519 PolarHBondContact OG1-OG 3.49Å; S519-R525 VanDerWaalsContact O-CD 3.29Å; S519-R525 WeakPolarHBondContact O-CD 3.4Å; S519-R525 VanDerWaalsContact O-CG 3.25Å; S519-R525 WeakPolarHBondContact O-CG 3.44Å; S519-R525 PolarHBondContact O-NE 3.28Å; S519-R525 VanDerWaalsContact O-NE 3.13Å
520	A	94.4	Very high	91	Very high	9 Å²	9	55 Å²	55	7%	0.074	33%	0.333	C	S	.	.	H	α-helix	trans	-74.2	-29.7	-178.2	0	0	0	0	0	113	L448 T516 V517 E518 F530	L448-A520 HydrophobicContact CD2-CB 3.88Å; T516-A520 WeakPolarHBondContact O-CB 3.5Å; T516-A520 PolarHBondContact O-N 3.41Å; V517-A520 PolarHBondContact O-N 3Å; E518-A520 VanDerWaalsContact C-N 3.34Å; E518-A520 PolarHBondContact O-N 3.15Å; A520-F530 HydrophobicContact CB-CB 3.69Å; A520-F530 HydrophobicContact CB-CD1 4.44Å; A520-F530 HydrophobicContact CB-CD2 4.3Å; A520-F530 HydrophobicContact CB-CG 3.89Å
521	T	92.1	Very high	91.7	Very high	72 Å²	72	55.1 Å²	55.1	44%	0.442	33%	0.333	S	S	.	.	H	α-helix	trans	-95.4	-5.6	179	58.5	0	0	0	0	114.1	V517 E518 F530	V517-T521 HydrophobicContact CG1-CG2 4.32Å; V517-T521 WeakPolarHBondContact O-CB 3.42Å; V517-T521 WeakPolarHBondContact O-CG2 3.44Å; V517-T521 PolarHBondContact O-N 3.09Å; V517-T521 PolarHBondContact O-OG1 3.18Å; E518-T521 PolarHBondContact O-N 3.22Å; E518-T521 PolarHBondContact O-OG1 3.22Å; T521-F530 HydrophobicContact CG2-CD1 3.97Å; T521-F530 HydrophobicContact CG2-CE1 3.43Å; T521-F530 VanDerWaalsContact CG2-CE1 3.43Å; T521-F530 HydrophobicContact CG2-CZ 3.9Å
522	S	94.2	Very high	92.2	Very high	56 Å²	56	55 Å²	55	39%	0.392	33%	0.332	S	S	.	.	S	Bend	trans	-63.6	145.1	178.8	-75.8	0	0	0	0	113.2	E518 R525	E518-S522 WeakPolarHBondContact O-CB 3.32Å; E518-S522 PolarHBondContact O-N 3.12Å; E518-S522 VanDerWaalsContact O-N 3.08Å; E518-S522 PolarHBondContact O-OG 3.15Å; S522-R525 WeakPolarHBondContact O-CG 3.31Å
523	S	91	Very high	92.7	Very high	128 Å²	128	47.5 Å²	47.5	90%	0.895	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	142.3	177	-70	0	0	0	0	112.1
524	G	89.2	Confident	93.1	Very high	88 Å²	88	50 Å²	50	91%	0.907	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.5	-2	176.5	0	0	0	0	0	115.7	G526	G524-G526 VanDerWaalsContact C-N 3.29Å; G524-G526 PolarHBondContact O-N 2.87Å
525	R	87.6	Confident	93.5	Very high	105 Å²	105	48.3 Å²	48.3	40%	0.396	30%	0.303	S	S	.	.			trans	-69.4	-23.5	178.2	-66.9	-73.1	-67.5	127.3	1.6	114.4	E515 S519 S522 T528	E515-R525 IonicContact OE1-CZ 3.81Å; E515-R525 IonicContact OE1-NH2 3.21Å; E515-R525 PolarHBondContact OE1-NH2 3.35Å; E515-R525 IonicContact OE2-CZ 3.19Å; E515-R525 IonicContact OE2-NE 2.7Å; E515-R525 IonicContact OE2-NH2 3.76Å; E515-R525 PolarHBondContact OE2-NH2 3.23Å; S519-R525 VanDerWaalsContact O-CD 3.29Å; S519-R525 WeakPolarHBondContact O-CD 3.4Å; S519-R525 VanDerWaalsContact O-CG 3.25Å; S519-R525 WeakPolarHBondContact O-CG 3.44Å; S519-R525 PolarHBondContact O-NE 3.28Å; S519-R525 VanDerWaalsContact O-NE 3.13Å; S522-R525 WeakPolarHBondContact O-CG 3.31Å; R525-T528 HydrophobicContact CB-CG2 3.93Å
526	G	88.4	Confident	93.8	Very high	60 Å²	60	46 Å²	46	62%	0.619	29%	0.292	S	S	*	.			trans	73.2	-151.6	-172.7	0	0	0	0	0	111.8	G524	G524-G526 VanDerWaalsContact C-N 3.29Å; G524-G526 PolarHBondContact O-N 2.87Å
527	I	89.2	Confident	94	Very high	90 Å²	90	46.1 Å²	46.1	46%	0.462	29%	0.292	S	S	.	.	S	Bend	trans	-78.7	125.2	176.9	-67.3	166.2	0	0	0	108.6	Y607 P609	I527-Y607 HydrophobicContact CG2-CD2 3.99Å; I527-Y607 HydrophobicContact CG2-CE2 4.32Å; I527-P609 HydrophobicContact CB-CG 3.74Å; I527-P609 HydrophobicContact CD1-CB 3.9Å; I527-P609 HydrophobicContact CD1-CG 3.48Å; I527-P609 VanDerWaalsContact CD1-CG 3.48Å; I527-P609 HydrophobicContact CG1-CG 4.13Å; I527-P609 HydrophobicContact CG2-CG 4.05Å
528	T	91.8	Very high	94	Very high	17 Å²	17	48.2 Å²	48.2	10%	0.104	31%	0.31	C	S	.	.			trans	-121.6	168.2	179.7	63.3	0	0	0	0	109.2	R525 F530 S531 L532	R525-T528 HydrophobicContact CB-CG2 3.93Å; T528-F530 PolarHBondContact O-N 3.29Å; T528-F530 PolarHBondContact OG1-N 3.19Å; T528-S531 PolarHBondContact N-OG 2.73Å; T528-S531 PolarHBondContact O-N 3.17Å; T528-S531 PolarHBondContact O-OG 2.85Å; T528-S531 PolarHBondContact OG1-N 3.05Å; T528-S531 VanDerWaalsContact OG1-N 3.13Å; T528-S531 PolarHBondContact OG1-OG 3.46Å; T528-L532 WeakPolarHBondContact O-CB 3.44Å; T528-L532 PolarHBondContact O-N 3.3Å
529	S	90.6	Very high	94.2	Very high	23 Å²	23	43.7 Å²	43.7	16%	0.161	29%	0.29	C	S	.	.	H	α-helix	trans	-54.3	-38.4	169.5	-59.1	0	0	0	0	111.9	L532 V533	S529-L532 WeakPolarHBondContact O-CB 3.47Å; S529-L532 PolarHBondContact O-N 3.43Å; S529-V533 WeakPolarHBondContact O-CG2 3.47Å; S529-V533 PolarHBondContact O-N 2.8Å
530	F	95.7	Very high	94.3	Very high	4 Å²	4	42.6 Å²	42.6	2%	0.018	28%	0.282	C	S	.	.	H	α-helix	trans	-63.9	-52.2	177.4	-173.5	-89	0	0	0	112.2	Y131 T135 I136 E447 L448 A520 T521 T528 L532 V533 Q534	Y131-F530 HydrophobicContact CE2-CE2 4.34Å; Y131-F530 AromaticContact CE2-CZ 3.9Å; Y131-F530 HydrophobicContact CE2-CZ 3.9Å; Y131-F530 VanDerWaalsContact OH-CE2 3.29Å; Y131-F530 WeakPolarHBondContact OH-CE2 3.38Å; T135-F530 HydrophobicContact CG2-CE1 3.88Å; T135-F530 HydrophobicContact CG2-CZ 3.74Å; I136-F530 HydrophobicContact CD1-CE2 3.99Å; I136-F530 HydrophobicContact CD1-CZ 3.94Å; E447-F530 HydrophobicContact CB-CD2 4.12Å; E447-F530 HydrophobicContact CB-CE2 4.26Å; E447-F530 HydrophobicContact CG-CD2 3.84Å; E447-F530 HydrophobicContact CG-CE2 3.65Å; E447-F530 VanDerWaalsContact O-CA 3.31Å; E447-F530 WeakPolarHBondContact O-CA 3.39Å; L448-F530 HydrophobicContact CD2-CD2 3.92Å; A520-F530 HydrophobicContact CB-CB 3.69Å; A520-F530 HydrophobicContact CB-CD1 4.44Å; A520-F530 HydrophobicContact CB-CD2 4.3Å; A520-F530 HydrophobicContact CB-CG 3.89Å; T521-F530 HydrophobicContact CG2-CD1 3.97Å; T521-F530 HydrophobicContact CG2-CE1 3.43Å; T521-F530 VanDerWaalsContact CG2-CE1 3.43Å; T521-F530 HydrophobicContact CG2-CZ 3.9Å; T528-F530 PolarHBondContact O-N 3.29Å; T528-F530 PolarHBondContact OG1-N 3.19Å; F530-L532 VanDerWaalsContact C-N 3.28Å; F530-L532 PolarHBondContact O-N 2.65Å; F530-V533 WeakPolarHBondContact O-CB 3.48Å; F530-V533 PolarHBondContact O-N 2.93Å; F530-Q534 HydrophobicContact CD1-CG 4.19Å; F530-Q534 VanDerWaalsContact CE1-CD 3.44Å; F530-Q534 HydrophobicContact CE1-CG 3.95Å; F530-Q534 WeakPolarHBondContact O-CG 3.31Å; F530-Q534 PolarHBondContact O-N 3.22Å
531	S	95.3	Very high	94.4	Very high	25 Å²	25	48.1 Å²	48.1	18%	0.175	30%	0.304	C	S	.	.	H	α-helix	trans	-67	-31.4	179.3	58.1	0	0	0	0	112.6	T528 V533 Q534 D535	T528-S531 PolarHBondContact N-OG 2.73Å; T528-S531 PolarHBondContact O-N 3.17Å; T528-S531 PolarHBondContact O-OG 2.85Å; T528-S531 PolarHBondContact OG1-N 3.05Å; T528-S531 VanDerWaalsContact OG1-N 3.13Å; T528-S531 PolarHBondContact OG1-OG 3.46Å; S531-V533 PolarHBondContact O-N 2.86Å; S531-Q534 WeakPolarHBondContact O-CB 3.32Å; S531-Q534 PolarHBondContact O-N 3.47Å; S531-D535 PolarHBondContact O-N 2.81Å
532	L	96.4	Very high	94.6	Very high	3 Å²	3	47.2 Å²	47.2	2%	0.016	30%	0.297	C	S	.	.	H	α-helix	trans	-59	-44.2	168.5	170.9	65	0	0	0	111.8	L427 T528 S529 F530 Q534 D535 L536 I605 Y607 I634	L427-L532 HydrophobicContact CD1-CD2 4.45Å; L427-L532 HydrophobicContact CD2-CD2 4.27Å; T528-L532 WeakPolarHBondContact O-CB 3.44Å; T528-L532 PolarHBondContact O-N 3.3Å; S529-L532 WeakPolarHBondContact O-CB 3.47Å; S529-L532 PolarHBondContact O-N 3.43Å; F530-L532 VanDerWaalsContact C-N 3.28Å; F530-L532 PolarHBondContact O-N 2.65Å; L532-Q534 VanDerWaalsContact C-N 3.33Å; L532-Q534 PolarHBondContact O-N 2.99Å; L532-D535 PolarHBondContact O-N 2.7Å; L532-L536 HydrophobicContact CD1-CD1 3.99Å; L532-L536 HydrophobicContact CD1-CG 4.1Å; L532-L536 HydrophobicContact CG-CD1 3.83Å; L532-L536 HydrophobicContact CG-CG 4.4Å; L532-L536 WeakPolarHBondContact O-CB 3.15Å; L532-L536 WeakPolarHBondContact O-CD1 3.46Å; L532-L536 WeakPolarHBondContact O-CG 3.45Å; L532-L536 PolarHBondContact O-N 3.24Å; L532-I605 HydrophobicContact CD1-CG2 3.49Å; L532-I605 VanDerWaalsContact CD1-CG2 3.49Å; L532-Y607 HydrophobicContact CB-CD2 4.44Å; L532-Y607 HydrophobicContact CD2-CD1 4.2Å; L532-Y607 HydrophobicContact CD2-CD2 3.81Å; L532-Y607 HydrophobicContact CD2-CE2 4.24Å; L532-Y607 HydrophobicContact CD2-CG 3.77Å; L532-I634 HydrophobicContact CD2-CD1 3.68Å
533	V	97.5	Very high	94.7	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.012	29%	0.286	C	S	.	.	H	α-helix	trans	-63	-40.6	176.3	170.5	0	0	0	0	111.1	L430 F434 L442 E447 S529 F530 S531 D535 L536 V537	L430-V533 HydrophobicContact CD2-CG2 3.58Å; L430-V533 HydrophobicContact CG-CG2 4.21Å; F434-V533 HydrophobicContact CE2-CG1 4.22Å; F434-V533 HydrophobicContact CZ-CG1 3.99Å; L442-V533 HydrophobicContact CD2-CG1 4.06Å; E447-V533 HydrophobicContact CB-CB 4.43Å; E447-V533 HydrophobicContact CB-CG1 4.01Å; S529-V533 WeakPolarHBondContact O-CG2 3.47Å; S529-V533 PolarHBondContact O-N 2.8Å; F530-V533 WeakPolarHBondContact O-CB 3.48Å; F530-V533 PolarHBondContact O-N 2.93Å; S531-V533 PolarHBondContact O-N 2.86Å; V533-D535 VanDerWaalsContact C-N 3.34Å; V533-D535 PolarHBondContact O-N 3.26Å; V533-L536 PolarHBondContact O-N 2.83Å; V533-V537 HydrophobicContact CG1-CG2 4.42Å; V533-V537 WeakPolarHBondContact O-CG2 3.48Å; V533-V537 PolarHBondContact O-N 2.89Å
534	Q	97.5	Very high	95	Very high	59 Å²	59	40.1 Å²	40.1	28%	0.276	24%	0.243	S	C	.	.	H	α-helix	trans	-59.2	-45.9	174.2	-60.7	-179.8	-76	0	0	111.4	T135 F530 S531 L532 L536 V537 A538	T135-Q534 WeakPolarHBondContact O-CG 3.24Å; T135-Q534 PolarHBondContact O-NE2 2.91Å; F530-Q534 HydrophobicContact CD1-CG 4.19Å; F530-Q534 VanDerWaalsContact CE1-CD 3.44Å; F530-Q534 HydrophobicContact CE1-CG 3.95Å; F530-Q534 WeakPolarHBondContact O-CG 3.31Å; F530-Q534 PolarHBondContact O-N 3.22Å; S531-Q534 WeakPolarHBondContact O-CB 3.32Å; S531-Q534 PolarHBondContact O-N 3.47Å; L532-Q534 VanDerWaalsContact C-N 3.33Å; L532-Q534 PolarHBondContact O-N 2.99Å; Q534-L536 VanDerWaalsContact C-N 3.32Å; Q534-L536 PolarHBondContact O-N 3.32Å; Q534-V537 PolarHBondContact O-N 2.8Å; Q534-A538 WeakPolarHBondContact O-CB 3.24Å; Q534-A538 PolarHBondContact O-N 3.43Å
535	D	97.9	Very high	95.4	Very high	76 Å²	76	36 Å²	36	41%	0.406	20%	0.2	S	C	.	.	H	α-helix	trans	-62.9	-39.3	177.1	-70.3	-21.1	0	0	0	111.7	S531 L532 V533 A538 I539 I605	S531-D535 PolarHBondContact O-N 2.81Å; L532-D535 PolarHBondContact O-N 2.7Å; V533-D535 VanDerWaalsContact C-N 3.34Å; V533-D535 PolarHBondContact O-N 3.26Å; D535-A538 PolarHBondContact O-N 3.27Å; D535-I539 WeakPolarHBondContact O-CB 3.21Å; D535-I539 WeakPolarHBondContact O-CG2 3.48Å; D535-I539 PolarHBondContact O-N 3.23Å; D535-I605 HydrophobicContact CB-CD1 3.84Å; D535-I605 HydrophobicContact CB-CG1 4.15Å
536	L	98.7	Very high	95.9	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.01	19%	0.188	C	C	.	.	H	α-helix	trans	-66.7	-41.7	177.7	-72	164.8	0	0	0	112.3	A431 F434 L435 L532 V533 Q534 I539 R540 I605 I634	A431-L536 HydrophobicContact CB-CD1 3.75Å; A431-L536 HydrophobicContact CB-CD2 4.27Å; F434-L536 HydrophobicContact CB-CB 4.05Å; F434-L536 HydrophobicContact CD2-CB 3.86Å; F434-L536 HydrophobicContact CD2-CD1 4.08Å; F434-L536 HydrophobicContact CG-CB 4Å; L435-L536 HydrophobicContact CD1-CD2 3.77Å; L435-L536 HydrophobicContact CD2-CD2 3.94Å; L435-L536 HydrophobicContact CG-CD2 3.87Å; L532-L536 HydrophobicContact CD1-CD1 3.99Å; L532-L536 HydrophobicContact CD1-CG 4.1Å; L532-L536 HydrophobicContact CG-CD1 3.83Å; L532-L536 HydrophobicContact CG-CG 4.4Å; L532-L536 WeakPolarHBondContact O-CB 3.15Å; L532-L536 WeakPolarHBondContact O-CD1 3.46Å; L532-L536 WeakPolarHBondContact O-CG 3.45Å; L532-L536 PolarHBondContact O-N 3.24Å; V533-L536 PolarHBondContact O-N 2.83Å; Q534-L536 VanDerWaalsContact C-N 3.32Å; Q534-L536 PolarHBondContact O-N 3.32Å; L536-I539 WeakPolarHBondContact O-CG2 3.45Å; L536-R540 WeakPolarHBondContact O-CB 3.44Å; L536-R540 PolarHBondContact O-N 3.46Å; L536-R540 VanDerWaalsContact O-N 3.15Å; L536-I605 HydrophobicContact CD2-CD1 3.93Å; L536-I605 HydrophobicContact CG-CD1 4.22Å; L536-I634 HydrophobicContact CD2-CG2 4.49Å
537	V	98.5	Very high	96.2	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.012	17%	0.17	C	C	.	.	H	α-helix	trans	-66.8	-39.8	174.2	176	0	0	0	0	110.7	T102 I136 F434 V533 Q534	T102-V537 HydrophobicContact CG2-CG2 4.26Å; I136-V537 WeakPolarHBondContact O-CB 3.48Å; I136-V537 VanDerWaalsContact O-CG1 3.24Å; I136-V537 WeakPolarHBondContact O-CG1 3.01Å; F434-V537 HydrophobicContact CD1-CG2 3.85Å; F434-V537 HydrophobicContact CE1-CG2 3.49Å; F434-V537 VanDerWaalsContact CE1-CG2 3.49Å; F434-V537 HydrophobicContact CZ-CG2 4.09Å; V533-V537 HydrophobicContact CG1-CG2 4.42Å; V533-V537 WeakPolarHBondContact O-CG2 3.48Å; V533-V537 PolarHBondContact O-N 2.89Å; Q534-V537 PolarHBondContact O-N 2.8Å
538	A	98.1	Very high	96.5	Very high	53 Å²	53	28.1 Å²	28.1	44%	0.438	15%	0.149	S	C	.	.	H	α-helix	trans	-66.7	-48.2	178.4	0	0	0	0	0	112.1	Q534 D535 R540 K541	Q534-A538 WeakPolarHBondContact O-CB 3.24Å; Q534-A538 PolarHBondContact O-N 3.43Å; D535-A538 PolarHBondContact O-N 3.27Å; A538-R540 VanDerWaalsContact C-N 3.29Å; A538-R540 PolarHBondContact O-N 2.8Å; A538-K541 WeakPolarHBondContact O-CB 3.35Å; A538-K541 PolarHBondContact O-N 2.91Å
539	I	98.1	Very high	96.7	Very high	17 Å²	17	33.4 Å²	33.4	9%	0.087	18%	0.176	C	C	.	.	H	α-helix	trans	-66.7	-32.9	-177.7	-158.4	167.6	0	0	0	111.6	L435 D535 L536 K541 N542 L545 F577 K604 I605 V636	L435-I539 HydrophobicContact CD2-CG2 4.27Å; D535-I539 WeakPolarHBondContact O-CB 3.21Å; D535-I539 WeakPolarHBondContact O-CG2 3.48Å; D535-I539 PolarHBondContact O-N 3.23Å; L536-I539 WeakPolarHBondContact O-CG2 3.45Å; I539-K541 PolarHBondContact O-N 2.78Å; I539-N542 WeakPolarHBondContact O-CB 3.23Å; I539-N542 PolarHBondContact O-N 2.84Å; I539-N542 PolarHBondContact O-ND2 3.42Å; I539-L545 HydrophobicContact CB-CD1 4.43Å; I539-L545 HydrophobicContact CG1-CD1 3.97Å; I539-L545 HydrophobicContact CG2-CD1 4.02Å; I539-L545 WeakPolarHBondContact O-CD1 3.48Å; I539-F577 HydrophobicContact CD1-CD1 4.36Å; I539-F577 HydrophobicContact CD1-CE1 3.96Å; I539-F577 HydrophobicContact CG1-CE1 4.04Å; I539-K604 HydrophobicContact CD1-CB 3.48Å; I539-K604 VanDerWaalsContact CD1-CB 3.48Å; I539-K604 HydrophobicContact CD1-CG 4.18Å; I539-I605 HydrophobicContact CB-CD1 4.12Å; I539-I605 HydrophobicContact CD1-CD1 3.99Å; I539-I605 HydrophobicContact CD1-CG1 4.07Å; I539-I605 HydrophobicContact CG2-CD1 3.68Å; I539-V636 HydrophobicContact CD1-CB 4.24Å; I539-V636 HydrophobicContact CD1-CG1 3.65Å
540	R	97.8	Very high	97	Very high	3 Å²	3	33.5 Å²	33.5	1%	0.011	17%	0.174	C	C	.	.	H	α-helix	trans	-55.6	-25.7	178.4	-179.1	176.7	174.1	79.3	8.3	113.1	F434 L436 G438 L536 A538 N542 L546	F434-R540 VanDerWaalsContact O-CD 3.3Å; F434-R540 WeakPolarHBondContact O-CD 3.43Å; F434-R540 WeakPolarHBondContact O-CG 3.22Å; F434-R540 PolarHBondContact O-NH1 2.94Å; L436-R540 PolarHBondContact O-NH1 3.15Å; L436-R540 VanDerWaalsContact O-NH1 3.09Å; G438-R540 PolarHBondContact O-NH2 3.33Å; L536-R540 WeakPolarHBondContact O-CB 3.44Å; L536-R540 PolarHBondContact O-N 3.46Å; L536-R540 VanDerWaalsContact O-N 3.15Å; A538-R540 VanDerWaalsContact C-N 3.29Å; A538-R540 PolarHBondContact O-N 2.8Å; R540-N542 PolarHBondContact O-N 2.78Å; R540-N542 VanDerWaalsContact O-N 3.13Å; R540-L546 HydrophobicContact CG-CD2 4.43Å; R540-L546 WeakPolarHBondContact O-CD2 3.46Å; R540-L546 VanDerWaalsContact O-CG 3.3Å; R540-L546 WeakPolarHBondContact O-CG 3.43Å
541	K	96.2	Very high	97	Very high	125 Å²	125	39.4 Å²	39.4	54%	0.543	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-10.8	178	-62.1	175.2	-178.7	172.2	0	114	A538 I539 L546	A538-K541 WeakPolarHBondContact O-CB 3.35Å; A538-K541 PolarHBondContact O-N 2.91Å; I539-K541 PolarHBondContact O-N 2.78Å; K541-L546 WeakPolarHBondContact O-CD1 3.48Å
542	N	97.3	Very high	96.9	Very high	54 Å²	54	39.6 Å²	39.6	29%	0.289	19%	0.194	S	C	.	.	S	Bend	trans	-69.2	145.4	173.4	-72.9	-93	0	0	0	111.4	I539 R540 S544 L545 L546 F577	I539-N542 WeakPolarHBondContact O-CB 3.23Å; I539-N542 PolarHBondContact O-N 2.84Å; I539-N542 PolarHBondContact O-ND2 3.42Å; R540-N542 PolarHBondContact O-N 2.78Å; R540-N542 VanDerWaalsContact O-N 3.13Å; N542-S544 PolarHBondContact O-N 2.96Å; N542-L545 PolarHBondContact O-N 2.87Å; N542-L546 PolarHBondContact O-N 2.85Å; N542-F577 HydrophobicContact CB-CE2 3.69Å; N542-F577 HydrophobicContact CB-CZ 3.74Å
543	E	96.4	Very high	96.8	Very high	35 Å²	35	40 Å²	40	16%	0.164	20%	0.197	C	C	.	.	H	α-helix	trans	-55.6	-47.1	-170.8	-64.2	92.8	163.1	0	0	113.3	R92 L545 L546 W547 F574	R92-E543 IonicContact CZ-OE1 2.71Å; R92-E543 VanDerWaalsContact NH1-CG 3.28Å; R92-E543 IonicContact NH1-OE1 3.99Å; R92-E543 PolarHBondContact NH1-OE1 3.45Å; R92-E543 IonicContact NH2-OE1 3.06Å; R92-E543 PolarHBondContact NH2-OE1 2.87Å; E543-L545 VanDerWaalsContact C-N 3.27Å; E543-L545 PolarHBondContact O-N 2.89Å; E543-L546 PolarHBondContact O-N 2.82Å; E543-W547 HydrophobicContact CB-CH2 3.38Å; E543-W547 HydrophobicContact CB-CZ2 3.43Å; E543-W547 VanDerWaalsContact CB-CZ2 3.43Å; E543-W547 HydrophobicContact CB-CZ3 3.99Å; E543-W547 HydrophobicContact CG-CH2 3.25Å; E543-W547 HydrophobicContact CG-CZ2 3.67Å; E543-W547 HydrophobicContact CG-CZ3 4.04Å; E543-W547 PolarHBondContact O-N 3.5Å; E543-F574 HydrophobicContact CB-CB 3.96Å; E543-F574 HydrophobicContact CB-CD1 3.66Å; E543-F574 HydrophobicContact CB-CD2 3.87Å; E543-F574 HydrophobicContact CB-CE1 4.13Å; E543-F574 HydrophobicContact CB-CE2 4.31Å; E543-F574 HydrophobicContact CB-CG 3.52Å; E543-F574 HydrophobicContact CB-CZ 4.43Å; E543-F574 VanDerWaalsContact CD-CD1 3.45Å; E543-F574 HydrophobicContact CG-CD1 3.48Å; E543-F574 VanDerWaalsContact CG-CD1 3.48Å; E543-F574 HydrophobicContact CG-CD2 4.32Å; E543-F574 HydrophobicContact CG-CE1 3.55Å; E543-F574 HydrophobicContact CG-CE2 4.36Å; E543-F574 HydrophobicContact CG-CG 3.9Å; E543-F574 HydrophobicContact CG-CZ 3.99Å
544	S	97.4	Very high	96.4	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-64.8	-29	178.3	-69.5	0	0	0	0	113.4	N542 G548 R569 A571 P575	N542-S544 PolarHBondContact O-N 2.96Å; S544-G548 WeakPolarHBondContact O-CA 3.23Å; S544-G548 PolarHBondContact O-N 3.46Å; S544-R569 WeakPolarHBondContact CB-O 3.25Å; S544-R569 PolarHBondContact O-NH2 2.94Å; S544-A571 PolarHBondContact OG-N 3.05Å; S544-P575 VanDerWaalsContact CB-O 3.28Å; S544-P575 WeakPolarHBondContact CB-O 3.16Å; S544-P575 PolarHBondContact OG-O 3.14Å
545	L	97.8	Very high	95.9	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-84.9	-24.1	177	-67.9	176.6	0	0	0	112.5	L435 I539 N542 E543 R569 F577	L435-L545 HydrophobicContact CD2-CD1 4.42Å; L435-L545 HydrophobicContact CD2-CD2 4.49Å; I539-L545 HydrophobicContact CB-CD1 4.43Å; I539-L545 HydrophobicContact CG1-CD1 3.97Å; I539-L545 HydrophobicContact CG2-CD1 4.02Å; I539-L545 WeakPolarHBondContact O-CD1 3.48Å; N542-L545 PolarHBondContact O-N 2.87Å; E543-L545 VanDerWaalsContact C-N 3.27Å; E543-L545 PolarHBondContact O-N 2.89Å; L545-R569 VanDerWaalsContact C-NH2 3.3Å; L545-R569 HydrophobicContact CD2-CB 3.74Å; L545-R569 HydrophobicContact CD2-CG 3.76Å; L545-R569 VanDerWaalsContact O-CZ 3.28Å; L545-R569 PolarHBondContact O-NH1 3.01Å; L545-R569 PolarHBondContact O-NH2 3.36Å; L545-F577 HydrophobicContact CD1-CD1 4.25Å; L545-F577 HydrophobicContact CD1-CD2 4.46Å; L545-F577 HydrophobicContact CD1-CE1 4.47Å; L545-F577 HydrophobicContact CD1-CG 4.23Å; L545-F577 HydrophobicContact CD2-CB 4.13Å; L545-F577 HydrophobicContact CD2-CG 4.38Å; L545-F577 HydrophobicContact CG-CB 4.44Å; L545-F577 HydrophobicContact CG-CD2 4.12Å; L545-F577 HydrophobicContact CG-CG 4.15Å
546	L	96.5	Very high	95.3	Very high	28 Å²	28	45.3 Å²	45.3	15%	0.147	23%	0.228	C	C	.	.	H	α-helix	trans	-76.9	-52.3	174.4	-71.3	178.4	0	0	0	112.9	L95 R540 K541 N542 E543	L95-L546 HydrophobicContact CD1-CB 4.05Å; R540-L546 HydrophobicContact CG-CD2 4.43Å; R540-L546 WeakPolarHBondContact O-CD2 3.46Å; R540-L546 VanDerWaalsContact O-CG 3.3Å; R540-L546 WeakPolarHBondContact O-CG 3.43Å; K541-L546 WeakPolarHBondContact O-CD1 3.48Å; N542-L546 PolarHBondContact O-N 2.85Å; E543-L546 PolarHBondContact O-N 2.82Å
547	W	95.6	Very high	94.8	Very high	61 Å²	61	53.2 Å²	53.2	23%	0.231	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-134.1	2.4	-174.9	66.8	86.8	0	0	0	114.7	R92 P93 L95 E543 F574	R92-W547 HydrophobicContact CG-CH2 4.41Å; R92-W547 HydrophobicContact CG-CZ2 4.47Å; P93-W547 HydrophobicContact CG-CD2 3.91Å; P93-W547 HydrophobicContact CG-CE3 4.46Å; P93-W547 HydrophobicContact CG-CG 3.94Å; L95-W547 HydrophobicContact CD1-CB 4.37Å; L95-W547 HydrophobicContact CD1-CD2 4.49Å; L95-W547 HydrophobicContact CD1-CE3 3.65Å; L95-W547 HydrophobicContact CD1-CZ3 4.33Å; L95-W547 HydrophobicContact CD2-CB 4.49Å; L95-W547 HydrophobicContact CG-CE3 4.44Å; E543-W547 HydrophobicContact CB-CH2 3.38Å; E543-W547 HydrophobicContact CB-CZ2 3.43Å; E543-W547 VanDerWaalsContact CB-CZ2 3.43Å; E543-W547 HydrophobicContact CB-CZ3 3.99Å; E543-W547 HydrophobicContact CG-CH2 3.25Å; E543-W547 HydrophobicContact CG-CZ2 3.67Å; E543-W547 HydrophobicContact CG-CZ3 4.04Å; E543-W547 PolarHBondContact O-N 3.5Å; W547-F574 HydrophobicContact CZ2-CD2 4.19Å; W547-F574 AromaticContact CZ2-CE2 3.78Å; W547-F574 HydrophobicContact CZ2-CE2 3.78Å; W547-F574 HydrophobicContact CZ2-CZ 4.21Å
548	G	96	Very high	94.2	Very high	2 Å²	2	53.3 Å²	53.3	2%	0.021	26%	0.258	C	S	.	.			trans	-66.1	147.3	179	0	0	0	0	0	112.3	S544 R569 K570	S544-G548 WeakPolarHBondContact O-CA 3.23Å; S544-G548 PolarHBondContact O-N 3.46Å; G548-R569 PolarHBondContact O-NE 3.08Å; G548-R569 PolarHBondContact O-NH2 2.8Å; G548-R569 VanDerWaalsContact O-NH2 3.12Å; G548-K570 CarbonylContact C-O 3.58Å; G548-K570 VanDerWaalsContact CA-C 3.44Å; G548-K570 VanDerWaalsContact CA-O 3.28Å; G548-K570 WeakPolarHBondContact CA-O 3.25Å
549	N	95.7	Very high	93.6	Very high	127 Å²	127	52 Å²	52	68%	0.679	25%	0.245	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-58.3	145.9	175.2	-69	-31.9	0	0	0	110.4	R569 K570	N549-R569 CarbonylContact O-C 3.54Å; N549-R569 VanDerWaalsContact O-CA 3.28Å; N549-R569 WeakPolarHBondContact O-CA 3.45Å; N549-K570 PolarHBondContact N-O 3.4Å; N549-K570 PolarHBondContact O-N 3.17Å
550	F	96.5	Very high	93	Very high	25 Å²	25	57.4 Å²	57.4	11%	0.11	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	136.3	175.6	165.4	-90.5	0	0	0	110.3	I398 Y401 D402 L436 P437 M552 F567 E568	I398-F550 HydrophobicContact CG2-CE2 4.14Å; I398-F550 HydrophobicContact CG2-CZ 3.73Å; Y401-F550 HydrophobicContact CD1-CE1 4.43Å; Y401-F550 HydrophobicContact CD1-CZ 4.33Å; Y401-F550 HydrophobicContact CE1-CE1 4.47Å; D402-F550 HydrophobicContact CB-CE1 4.01Å; D402-F550 HydrophobicContact CB-CZ 4.45Å; D402-F550 VanDerWaalsContact OD1-CE1 3.29Å; D402-F550 WeakPolarHBondContact OD1-CE1 3.49Å; L436-F550 HydrophobicContact CD2-CD2 3.71Å; L436-F550 HydrophobicContact CD2-CE2 3.25Å; L436-F550 HydrophobicContact CD2-CZ 3.99Å; P437-F550 HydrophobicContact CG-CB 3.43Å; P437-F550 VanDerWaalsContact CG-CB 3.43Å; P437-F550 HydrophobicContact CG-CG 4.16Å; F550-M552 HydrophobicContact CE1-CG 3.99Å; F550-M552 HydrophobicContact CE1-SD 4.4Å; F550-M552 HydrophobicContact CE2-SD 4.28Å; F550-M552 HydrophobicContact CZ-CG 3.79Å; F550-M552 HydrophobicContact CZ-SD 3.6Å; F550-F567 HydrophobicContact CD2-CB 4.04Å; F550-F567 AromaticContact CD2-CD2 3.53Å; F550-F567 HydrophobicContact CD2-CD2 3.53Å; F550-F567 HydrophobicContact CD2-CE2 4.1Å; F550-F567 AromaticContact CD2-CG 3.92Å; F550-F567 HydrophobicContact CD2-CG 3.92Å; F550-F567 HydrophobicContact CE2-CB 3.47Å; F550-F567 VanDerWaalsContact CE2-CB 3.47Å; F550-F567 AromaticContact CE2-CD1 3.98Å; F550-F567 HydrophobicContact CE2-CD1 3.98Å; F550-F567 AromaticContact CE2-CD2 3.5Å; F550-F567 HydrophobicContact CE2-CD2 3.5Å; F550-F567 VanDerWaalsContact CE2-CD2 3.5Å; F550-F567 HydrophobicContact CE2-CE2 4.14Å; F550-F567 AromaticContact CE2-CG 3.39Å; F550-F567 HydrophobicContact CE2-CG 3.39Å; F550-F567 HydrophobicContact CZ-CB 4.14Å; F550-F567 HydrophobicContact CZ-CG 4.4Å; F550-E568 WeakPolarHBondContact CA-O 3.47Å
551	R	95.3	Very high	92.4	Very high	128 Å²	128	63.6 Å²	63.6	48%	0.483	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	122.7	177.1	179.5	174.3	67.1	153	3.6	110.7	F567 E568	R551-F567 CarbonylContact O-C 3.55Å; R551-F567 VanDerWaalsContact O-CA 3.29Å; R551-F567 WeakPolarHBondContact O-CA 3.35Å; R551-F567 WeakPolarHBondContact O-CB 3.23Å; R551-E568 IonicContact CZ-OE2 3.22Å; R551-E568 VanDerWaalsContact CZ-OE2 3.22Å; R551-E568 PolarHBondContact N-O 2.53Å; R551-E568 IonicContact NE-OE2 3.9Å; R551-E568 PolarHBondContact NE-OE2 3.26Å; R551-E568 IonicContact NH2-OE1 2.87Å; R551-E568 IonicContact NH2-OE2 2.68Å; R551-E568 PolarHBondContact NH2-OE2 3.05Å; R551-E568 PolarHBondContact O-N 2.57Å
552	M	94.3	Very high	91.9	Very high	29 Å²	29	58.5 Å²	58.5	14%	0.143	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	133.5	169.5	-71.8	-63.9	-75.3	0	0	111	I398 D402 F550 F567	I398-M552 HydrophobicContact CG2-CE 4.28Å; I398-M552 HydrophobicContact CG2-SD 3.6Å; D402-M552 HydrophobicContact CB-CG 3.75Å; D402-M552 VanDerWaalsContact CG-CG 3.44Å; D402-M552 WeakPolarHBondContact OD2-CG 3.49Å; F550-M552 HydrophobicContact CE1-CG 3.99Å; F550-M552 HydrophobicContact CE1-SD 4.4Å; F550-M552 HydrophobicContact CE2-SD 4.28Å; F550-M552 HydrophobicContact CZ-CG 3.79Å; F550-M552 HydrophobicContact CZ-SD 3.6Å; M552-F567 HydrophobicContact SD-CB 3.91Å
553	L	94	Very high	91.5	Very high	13 Å²	13	59.5 Å²	59.5	7%	0.068	28%	0.283	C	S	.	.			trans	-99.4	118.5	172.4	-58.8	-175.9	0	0	0	108.1	T559 I566 E568 I578 F592 V597	L553-T559 WeakPolarHBondContact O-CG2 3.23Å; L553-I566 HydrophobicContact CB-CB 4.26Å; L553-I566 HydrophobicContact CB-CG2 3.93Å; L553-I566 HydrophobicContact CD1-CG2 3.89Å; L553-I566 HydrophobicContact CG-CG2 4.32Å; L553-I566 PolarHBondContact N-O 3.41Å; L553-E568 HydrophobicContact CD2-CB 4.44Å; L553-I578 HydrophobicContact CD1-CG2 4.43Å; L553-F592 HydrophobicContact CB-CZ 4.14Å; L553-V597 HydrophobicContact CD1-CG1 4.46Å; L553-V597 HydrophobicContact CD1-CG2 3.99Å; L553-V597 HydrophobicContact CD2-CG2 3.94Å
554	K	89.6	Confident	91.2	Very high	140 Å²	140	57.9 Å²	57.9	61%	0.609	28%	0.275	S	S	*	.			trans	-104.4	143.4	-172.4	-60.3	-174	179.9	-175.5	0	111.8
555	S	87.5	Confident	91	Very high	33 Å²	33	59.3 Å²	59.3	23%	0.231	28%	0.282	C	S	.	.			trans	-151.7	122.9	171.9	168.2	0	0	0	0	108.7	R557 I558 T559 E560	S555-R557 VanDerWaalsContact C-N 3.26Å; S555-R557 PolarHBondContact O-N 3.09Å; S555-I558 PolarHBondContact O-N 3.07Å; S555-I558 PolarHBondContact OG-N 2.96Å; S555-T559 PolarHBondContact N-OG1 2.71Å; S555-T559 PolarHBondContact O-N 3.4Å; S555-T559 PolarHBondContact O-OG1 3.49Å; S555-E560 PolarHBondContact O-N 3.3Å
556	S	85.3	Confident	90.9	Very high	74 Å²	74	59.3 Å²	59.3	52%	0.517	28%	0.282	S	S	.	.	I	π-helix	trans	-51.1	-48.6	179.1	53.5	0	0	0	0	111.8	E560 E561	S556-E560 WeakPolarHBondContact CA-OE2 3.41Å; S556-E560 WeakPolarHBondContact O-CB 3.47Å; S556-E560 PolarHBondContact O-N 3.47Å; S556-E561 WeakPolarHBondContact O-CG 3.39Å; S556-E561 PolarHBondContact O-N 2.64Å
557	R	86.2	Confident	90.9	Very high	168 Å²	168	58 Å²	58	63%	0.634	28%	0.275	S	S	*	.	I	π-helix	trans	-71.5	-43.4	179.9	-171.4	176.5	178.8	173.1	0.7	113.6	S555 E561 L562	S555-R557 VanDerWaalsContact C-N 3.26Å; S555-R557 PolarHBondContact O-N 3.09Å; R557-E561 WeakPolarHBondContact O-CB 3.49Å; R557-L562 WeakPolarHBondContact O-CG 3.24Å; R557-L562 PolarHBondContact O-N 3.04Å
558	I	87.7	Confident	91	Very high	4 Å²	4	55.6 Å²	55.6	2%	0.021	27%	0.267	C	S	.	.	I	π-helix	trans	-89.6	-45.8	-169.4	-58.3	-57	0	0	0	111.8	S555 L562 F564 I566 T591 F592 L626	S555-I558 PolarHBondContact O-N 3.07Å; S555-I558 PolarHBondContact OG-N 2.96Å; I558-L562 HydrophobicContact CD1-CD1 3.93Å; I558-L562 CarbonylContact O-C 3.55Å; I558-L562 WeakPolarHBondContact O-CB 3.31Å; I558-F564 HydrophobicContact CG2-CB 3.75Å; I558-F564 HydrophobicContact CG2-CD2 3.85Å; I558-F564 HydrophobicContact CG2-CG 3.93Å; I558-F564 WeakPolarHBondContact O-CB 3.45Å; I558-F564 WeakPolarHBondContact O-CD2 3.38Å; I558-F564 PolarHBondContact O-N 2.9Å; I558-F564 VanDerWaalsContact O-N 3.14Å; I558-I566 HydrophobicContact CG2-CD1 3.93Å; I558-T591 WeakPolarHBondContact CD1-O 3.3Å; I558-T591 WeakPolarHBondContact CG1-O 3.46Å; I558-F592 HydrophobicContact CB-CD2 3.99Å; I558-F592 HydrophobicContact CG1-CD2 4.13Å; I558-F592 HydrophobicContact CG2-CD2 3.93Å; I558-L626 HydrophobicContact CG2-CD1 4.37Å
559	T	85.3	Confident	91.1	Very high	25 Å²	25	55.5 Å²	55.5	15%	0.153	27%	0.266	C	S	.	.	I	π-helix	trans	-92.2	-34.2	-174.4	65.3	0	0	0	0	113	L553 S555 F564 I566	L553-T559 WeakPolarHBondContact O-CG2 3.23Å; S555-T559 PolarHBondContact N-OG1 2.71Å; S555-T559 PolarHBondContact O-N 3.4Å; S555-T559 PolarHBondContact O-OG1 3.49Å; T559-F564 VanDerWaalsContact CA-O 3.24Å; T559-F564 WeakPolarHBondContact CA-O 3.36Å; T559-F564 VanDerWaalsContact CB-O 3.29Å; T559-F564 WeakPolarHBondContact CB-O 3.35Å; T559-F564 VanDerWaalsContact CG2-O 3.24Å; T559-F564 WeakPolarHBondContact CG2-O 3.47Å; T559-I566 HydrophobicContact CG2-CB 4.46Å; T559-I566 HydrophobicContact CG2-CD1 4.28Å; T559-I566 HydrophobicContact CG2-CG1 4.25Å
560	E	84.1	Confident	91.1	Very high	132 Å²	132	54.5 Å²	54.5	62%	0.617	26%	0.255	S	S	*	.	I	π-helix	trans	-91.1	-43.6	-178.1	-53.3	172.7	179.1	0	0	112.3	S555 S556	S555-E560 PolarHBondContact O-N 3.3Å; S556-E560 WeakPolarHBondContact CA-OE2 3.41Å; S556-E560 WeakPolarHBondContact O-CB 3.47Å; S556-E560 PolarHBondContact O-N 3.47Å
561	E	85.4	Confident	91.1	Very high	133 Å²	133	53.5 Å²	53.5	62%	0.621	25%	0.252	S	S	*	.	S	Bend	trans	-86.7	-34.8	-179.7	-68.7	172.5	-165.2	0	0	113.8	S556 R557	S556-E561 WeakPolarHBondContact O-CG 3.39Å; S556-E561 PolarHBondContact O-N 2.64Å; R557-E561 WeakPolarHBondContact O-CB 3.49Å
562	L	86.9	Confident	91	Very high	18 Å²	18	56 Å²	56	9%	0.094	27%	0.269	C	S	.	.	S	Bend	trans	-104.2	3.2	-174.6	-64.9	-179.1	0	0	0	114.3	R557 I558 F564 R582 V588	R557-L562 WeakPolarHBondContact O-CG 3.24Å; R557-L562 PolarHBondContact O-N 3.04Å; I558-L562 HydrophobicContact CD1-CD1 3.93Å; I558-L562 CarbonylContact O-C 3.55Å; I558-L562 WeakPolarHBondContact O-CB 3.31Å; L562-F564 VanDerWaalsContact C-N 3.26Å; L562-F564 HydrophobicContact CB-CD2 3.75Å; L562-F564 HydrophobicContact CB-CE2 3.94Å; L562-F564 HydrophobicContact CD1-CE2 4.44Å; L562-F564 PolarHBondContact O-N 3.04Å; L562-R582 PolarHBondContact O-NE 3.43Å; L562-R582 PolarHBondContact O-NH2 2.95Å; L562-V588 HydrophobicContact CD1-CG1 4.32Å; L562-V588 HydrophobicContact CD2-CB 3.93Å; L562-V588 HydrophobicContact CD2-CG1 3.48Å; L562-V588 VanDerWaalsContact CD2-CG1 3.48Å
563	D	87.8	Confident	90.9	Very high	74 Å²	74	57.6 Å²	57.6	40%	0.396	29%	0.292	S	S	.	.			trans	55	34	176.8	-63.6	-19.2	0	0	0	114	K584	D563-K584 IonicContact OD2-NZ 3.57Å
564	F	91.1	Very high	91	Very high	1 Å²	1	58 Å²	58	0%	0.004	29%	0.294	C	S	.	.			trans	-83	130.6	167	-73.7	-95.1	0	0	0	109.9	I558 T559 L562 I566 V580 R582 L626 M633	I558-F564 HydrophobicContact CG2-CB 3.75Å; I558-F564 HydrophobicContact CG2-CD2 3.85Å; I558-F564 HydrophobicContact CG2-CG 3.93Å; I558-F564 WeakPolarHBondContact O-CB 3.45Å; I558-F564 WeakPolarHBondContact O-CD2 3.38Å; I558-F564 PolarHBondContact O-N 2.9Å; I558-F564 VanDerWaalsContact O-N 3.14Å; T559-F564 VanDerWaalsContact CA-O 3.24Å; T559-F564 WeakPolarHBondContact CA-O 3.36Å; T559-F564 VanDerWaalsContact CB-O 3.29Å; T559-F564 WeakPolarHBondContact CB-O 3.35Å; T559-F564 VanDerWaalsContact CG2-O 3.24Å; T559-F564 WeakPolarHBondContact CG2-O 3.47Å; L562-F564 VanDerWaalsContact C-N 3.26Å; L562-F564 HydrophobicContact CB-CD2 3.75Å; L562-F564 HydrophobicContact CB-CE2 3.94Å; L562-F564 HydrophobicContact CD1-CE2 4.44Å; L562-F564 PolarHBondContact O-N 3.04Å; F564-I566 HydrophobicContact CB-CD1 4.31Å; F564-I566 HydrophobicContact CB-CG1 4.21Å; F564-V580 HydrophobicContact CD1-CG1 3.91Å; F564-R582 HydrophobicContact CD1-CB 4.14Å; F564-R582 HydrophobicContact CD1-CG 4.37Å; F564-R582 HydrophobicContact CE1-CB 4.3Å; F564-R582 HydrophobicContact CE1-CG 4.46Å; F564-L626 HydrophobicContact CD1-CB 4.5Å; F564-L626 HydrophobicContact CD1-CD1 3.94Å; F564-L626 HydrophobicContact CE1-CB 3.74Å; F564-L626 HydrophobicContact CE1-CD1 4.02Å; F564-L626 HydrophobicContact CE1-CG 4.48Å; F564-L626 HydrophobicContact CG-CD1 4.43Å; F564-L626 HydrophobicContact CZ-CB 3.94Å; F564-M633 HydrophobicContact CE1-CE 4.01Å; F564-M633 HydrophobicContact CE1-SD 3.88Å
565	E	93.1	Very high	91.2	Very high	30 Å²	30	53.6 Å²	53.6	14%	0.14	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	113.6	174.4	-59.4	-172.5	127.1	0	0	108.7	D397 I398 L581	D397-E565 WeakPolarHBondContact CB-OE1 3.43Å; I398-E565 HydrophobicContact CD1-CB 4.41Å; I398-E565 PolarHBondContact N-OE1 3.44Å; E565-L581 HydrophobicContact CB-CB 4.28Å; E565-L581 PolarHBondContact N-O 3.15Å; E565-L581 PolarHBondContact O-N 2.9Å
566	I	95.3	Very high	91.7	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	128.6	-174.5	-52.6	-178.8	0	0	0	108.7	L553 I558 T559 F564 I578 V579 V580 F592 F594 L626	L553-I566 HydrophobicContact CB-CB 4.26Å; L553-I566 HydrophobicContact CB-CG2 3.93Å; L553-I566 HydrophobicContact CD1-CG2 3.89Å; L553-I566 HydrophobicContact CG-CG2 4.32Å; L553-I566 PolarHBondContact N-O 3.41Å; I558-I566 HydrophobicContact CG2-CD1 3.93Å; T559-I566 HydrophobicContact CG2-CB 4.46Å; T559-I566 HydrophobicContact CG2-CD1 4.28Å; T559-I566 HydrophobicContact CG2-CG1 4.25Å; F564-I566 HydrophobicContact CB-CD1 4.31Å; F564-I566 HydrophobicContact CB-CG1 4.21Å; I566-I578 HydrophobicContact CG2-CG2 4.26Å; I566-V579 VanDerWaalsContact CA-O 3.31Å; I566-V579 WeakPolarHBondContact CA-O 3.26Å; I566-V580 HydrophobicContact CD1-CG1 4.47Å; I566-V580 HydrophobicContact CD1-CG2 4.37Å; I566-V580 HydrophobicContact CG1-CB 4.49Å; I566-V580 HydrophobicContact CG1-CG1 4.16Å; I566-V580 HydrophobicContact CG1-CG2 4.19Å; I566-V580 HydrophobicContact CG2-CG2 4.16Å; I566-F592 HydrophobicContact CD1-CB 4.3Å; I566-F592 HydrophobicContact CD1-CD1 4.45Å; I566-F592 HydrophobicContact CD1-CD2 3.48Å; I566-F592 VanDerWaalsContact CD1-CD2 3.48Å; I566-F592 HydrophobicContact CD1-CE2 3.82Å; I566-F592 HydrophobicContact CD1-CG 3.82Å; I566-F592 HydrophobicContact CD1-CZ 4.44Å; I566-F594 HydrophobicContact CG2-CE1 3.91Å; I566-L626 HydrophobicContact CD1-CD1 4.3Å
567	F	96.6	Very high	92.3	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	159.4	176.5	66.5	-92.5	0	0	0	112.7	I398 L435 L436 F550 R551 M552 R569 I578 V579 L581	I398-F567 HydrophobicContact CD1-CD1 4.04Å; I398-F567 HydrophobicContact CD1-CE1 3.66Å; L435-F567 HydrophobicContact CB-CE2 4.47Å; L435-F567 HydrophobicContact CB-CZ 3.84Å; L436-F567 HydrophobicContact CD2-CD1 4.44Å; L436-F567 HydrophobicContact CD2-CD2 4.48Å; L436-F567 HydrophobicContact CD2-CE1 3.98Å; L436-F567 HydrophobicContact CD2-CE2 4.02Å; L436-F567 HydrophobicContact CD2-CZ 3.73Å; L436-F567 HydrophobicContact CG-CZ 4.33Å; F550-F567 HydrophobicContact CD2-CB 4.04Å; F550-F567 AromaticContact CD2-CD2 3.53Å; F550-F567 HydrophobicContact CD2-CD2 3.53Å; F550-F567 HydrophobicContact CD2-CE2 4.1Å; F550-F567 AromaticContact CD2-CG 3.92Å; F550-F567 HydrophobicContact CD2-CG 3.92Å; F550-F567 HydrophobicContact CE2-CB 3.47Å; F550-F567 VanDerWaalsContact CE2-CB 3.47Å; F550-F567 AromaticContact CE2-CD1 3.98Å; F550-F567 HydrophobicContact CE2-CD1 3.98Å; F550-F567 AromaticContact CE2-CD2 3.5Å; F550-F567 HydrophobicContact CE2-CD2 3.5Å; F550-F567 VanDerWaalsContact CE2-CD2 3.5Å; F550-F567 HydrophobicContact CE2-CE2 4.14Å; F550-F567 AromaticContact CE2-CG 3.39Å; F550-F567 HydrophobicContact CE2-CG 3.39Å; F550-F567 HydrophobicContact CZ-CB 4.14Å; F550-F567 HydrophobicContact CZ-CG 4.4Å; R551-F567 CarbonylContact O-C 3.55Å; R551-F567 VanDerWaalsContact O-CA 3.29Å; R551-F567 WeakPolarHBondContact O-CA 3.35Å; R551-F567 WeakPolarHBondContact O-CB 3.23Å; M552-F567 HydrophobicContact SD-CB 3.91Å; F567-R569 HydrophobicContact CD2-CG 3.94Å; F567-R569 HydrophobicContact CE2-CG 3.68Å; F567-I578 WeakPolarHBondContact O-CA 3.48Å; F567-V579 HydrophobicContact CD1-CB 4.02Å; F567-V579 HydrophobicContact CD1-CG1 4.21Å; F567-V579 HydrophobicContact CD2-CB 4.14Å; F567-V579 HydrophobicContact CD2-CG2 4.35Å; F567-V579 HydrophobicContact CE1-CB 3.61Å; F567-V579 HydrophobicContact CE1-CG1 3.45Å; F567-V579 VanDerWaalsContact CE1-CG1 3.45Å; F567-V579 HydrophobicContact CE1-CG2 4.36Å; F567-V579 HydrophobicContact CE2-CB 3.75Å; F567-V579 HydrophobicContact CE2-CG1 4.3Å; F567-V579 HydrophobicContact CE2-CG2 3.69Å; F567-V579 HydrophobicContact CG-CB 4.27Å; F567-V579 HydrophobicContact CZ-CB 3.49Å; F567-V579 VanDerWaalsContact CZ-CB 3.49Å; F567-V579 HydrophobicContact CZ-CG1 3.52Å; F567-V579 HydrophobicContact CZ-CG2 3.72Å; F567-V579 PolarHBondContact N-O 3.43Å; F567-V579 PolarHBondContact O-N 3.05Å; F567-L581 HydrophobicContact CE1-CD1 3.84Å
568	E	97.6	Very high	92.9	Very high	12 Å²	12	41 Å²	41	6%	0.056	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	139.4	173.9	-178.1	-171.9	-151.1	0	0	110.1	F550 R551 L553 K570 A576 F577 V597	F550-E568 WeakPolarHBondContact CA-O 3.47Å; R551-E568 IonicContact CZ-OE2 3.22Å; R551-E568 VanDerWaalsContact CZ-OE2 3.22Å; R551-E568 PolarHBondContact N-O 2.53Å; R551-E568 IonicContact NE-OE2 3.9Å; R551-E568 PolarHBondContact NE-OE2 3.26Å; R551-E568 IonicContact NH2-OE1 2.87Å; R551-E568 IonicContact NH2-OE2 2.68Å; R551-E568 PolarHBondContact NH2-OE2 3.05Å; R551-E568 PolarHBondContact O-N 2.57Å; L553-E568 HydrophobicContact CD2-CB 4.44Å; E568-K570 HydrophobicContact CG-CB 4.26Å; E568-A576 HydrophobicContact CG-CB 4.28Å; E568-F577 CarbonylContact C-O 3.59Å; E568-F577 VanDerWaalsContact CA-O 3.3Å; E568-F577 WeakPolarHBondContact CA-O 3.21Å; E568-V597 HydrophobicContact CG-CG1 4.25Å; E568-V597 WeakPolarHBondContact OE1-CG1 3.14Å
569	R	97.9	Very high	93.3	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	119.9	165.4	-68.6	-66.5	-55.4	-72.3	2.3	109.3	L435 L436 S544 L545 G548 N549 F567 A576 F577	L435-R569 PolarHBondContact O-NH1 3.19Å; L436-R569 PolarHBondContact O-NH1 3.43Å; S544-R569 WeakPolarHBondContact CB-O 3.25Å; S544-R569 PolarHBondContact O-NH2 2.94Å; L545-R569 VanDerWaalsContact C-NH2 3.3Å; L545-R569 HydrophobicContact CD2-CB 3.74Å; L545-R569 HydrophobicContact CD2-CG 3.76Å; L545-R569 VanDerWaalsContact O-CZ 3.28Å; L545-R569 PolarHBondContact O-NH1 3.01Å; L545-R569 PolarHBondContact O-NH2 3.36Å; G548-R569 PolarHBondContact O-NE 3.08Å; G548-R569 PolarHBondContact O-NH2 2.8Å; G548-R569 VanDerWaalsContact O-NH2 3.12Å; N549-R569 CarbonylContact O-C 3.54Å; N549-R569 VanDerWaalsContact O-CA 3.28Å; N549-R569 WeakPolarHBondContact O-CA 3.45Å; F567-R569 HydrophobicContact CD2-CG 3.94Å; F567-R569 HydrophobicContact CE2-CG 3.68Å; R569-A576 CarbonylContact O-C 3.57Å; R569-A576 WeakPolarHBondContact O-CA 3.17Å; R569-F577 HydrophobicContact CB-CB 4.46Å; R569-F577 PolarHBondContact N-O 2.76Å; R569-F577 PolarHBondContact O-N 2.68Å
570	K	96.6	Very high	93.8	Very high	105 Å²	105	39.6 Å²	39.6	46%	0.457	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	120.3	-174.9	-175.5	175.2	-177	172.9	0	112.8	G548 N549 E568 A576	G548-K570 CarbonylContact C-O 3.58Å; G548-K570 VanDerWaalsContact CA-C 3.44Å; G548-K570 VanDerWaalsContact CA-O 3.28Å; G548-K570 WeakPolarHBondContact CA-O 3.25Å; N549-K570 PolarHBondContact N-O 3.4Å; N549-K570 PolarHBondContact O-N 3.17Å; E568-K570 HydrophobicContact CG-CB 4.26Å; K570-A576 HydrophobicContact CB-CB 3.92Å; K570-A576 HydrophobicContact CD-CB 4.06Å; K570-A576 HydrophobicContact CG-CB 3.9Å
571	A	95.9	Very high	94.3	Very high	5 Å²	5	33.3 Å²	33.3	4%	0.041	18%	0.18	C	C	.	.			trans	-96.1	146.3	165	0	0	0	0	0	110.3	S544 G573 F574	S544-A571 PolarHBondContact OG-N 3.05Å; A571-G573 PolarHBondContact O-N 3.16Å; A571-F574 HydrophobicContact CB-CB 4.18Å; A571-F574 HydrophobicContact CB-CD2 3.85Å; A571-F574 HydrophobicContact CB-CG 4.42Å; A571-F574 PolarHBondContact O-N 3.04Å
572	E	92.9	Very high	94.6	Very high	180 Å²	180	27.1 Å²	27.1	84%	0.841	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	130.3	178.7	-172.1	177.7	177.7	0	0	111.2	F574	E572-F574 WeakPolarHBondContact O-CD2 3.19Å; E572-F574 PolarHBondContact O-N 2.86Å
573	G	92.4	Very high	94.5	Very high	62 Å²	62	30.6 Å²	30.6	64%	0.639	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.8	2.7	-177.6	0	0	0	0	0	115.3	A571	A571-G573 PolarHBondContact O-N 3.16Å
574	F	95	Very high	93.8	Very high	21 Å²	21	32.9 Å²	32.9	9%	0.092	17%	0.171	C	C	.	.	S	Bend	trans	-119	154.1	177.5	-61.8	-78.1	0	0	0	111.6	P90 R92 E543 W547 A571 E572 A576	P90-F574 HydrophobicContact CB-CE2 3.93Å; P90-F574 HydrophobicContact CB-CZ 4.13Å; P90-F574 HydrophobicContact CG-CD2 4.45Å; P90-F574 HydrophobicContact CG-CE1 4.01Å; P90-F574 HydrophobicContact CG-CE2 3.81Å; P90-F574 HydrophobicContact CG-CZ 3.56Å; R92-F574 HydrophobicContact CG-CZ 3.78Å; E543-F574 HydrophobicContact CB-CB 3.96Å; E543-F574 HydrophobicContact CB-CD1 3.66Å; E543-F574 HydrophobicContact CB-CD2 3.87Å; E543-F574 HydrophobicContact CB-CE1 4.13Å; E543-F574 HydrophobicContact CB-CE2 4.31Å; E543-F574 HydrophobicContact CB-CG 3.52Å; E543-F574 HydrophobicContact CB-CZ 4.43Å; E543-F574 VanDerWaalsContact CD-CD1 3.45Å; E543-F574 HydrophobicContact CG-CD1 3.48Å; E543-F574 VanDerWaalsContact CG-CD1 3.48Å; E543-F574 HydrophobicContact CG-CD2 4.32Å; E543-F574 HydrophobicContact CG-CE1 3.55Å; E543-F574 HydrophobicContact CG-CE2 4.36Å; E543-F574 HydrophobicContact CG-CG 3.9Å; E543-F574 HydrophobicContact CG-CZ 3.99Å; W547-F574 HydrophobicContact CZ2-CD2 4.19Å; W547-F574 AromaticContact CZ2-CE2 3.78Å; W547-F574 HydrophobicContact CZ2-CE2 3.78Å; W547-F574 HydrophobicContact CZ2-CZ 4.21Å; A571-F574 HydrophobicContact CB-CB 4.18Å; A571-F574 HydrophobicContact CB-CD2 3.85Å; A571-F574 HydrophobicContact CB-CG 4.42Å; A571-F574 PolarHBondContact O-N 3.04Å; E572-F574 WeakPolarHBondContact O-CD2 3.19Å; E572-F574 PolarHBondContact O-N 2.86Å; F574-A576 PolarHBondContact O-N 3.46Å
575	P	95.4	Very high	92.5	Very high	48 Å²	48	37.1 Å²	37.1	31%	0.312	20%	0.199	S	C	.	.			trans	-54.7	133.5	174.9	-27.7	36.9	0	0	0	112.1	S544 K638 C639	S544-P575 VanDerWaalsContact CB-O 3.28Å; S544-P575 WeakPolarHBondContact CB-O 3.16Å; S544-P575 PolarHBondContact OG-O 3.14Å; P575-K638 HydrophobicContact CB-CD 4.31Å; P575-K638 HydrophobicContact CB-CG 3.98Å; P575-K638 VanDerWaalsContact CG-CE 3.44Å; P575-C639 WeakPolarHBondContact CB-O 3.49Å
576	A	97.2	Very high	91.4	Very high	8 Å²	8	38.5 Å²	38.5	7%	0.066	21%	0.207	C	C	.	.			trans	-75.4	156.6	172.7	0	0	0	0	0	110.6	E568 R569 K570 F574 C639	E568-A576 HydrophobicContact CG-CB 4.28Å; R569-A576 CarbonylContact O-C 3.57Å; R569-A576 WeakPolarHBondContact O-CA 3.17Å; K570-A576 HydrophobicContact CB-CB 3.92Å; K570-A576 HydrophobicContact CD-CB 4.06Å; K570-A576 HydrophobicContact CG-CB 3.9Å; F574-A576 PolarHBondContact O-N 3.46Å; A576-C639 HydrophobicContact CB-CB 4.02Å; A576-C639 WeakPolarHBondContact O-CB 3.3Å; A576-C639 PolarHBondContact O-N 3.08Å
577	F	98.3	Very high	90.2	Very high	3 Å²	3	42.3 Å²	42.3	1%	0.013	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	134.2	170.7	-73.8	-98.2	0	0	0	109.5	I539 N542 L545 E568 R569 K604 V636 F637 K638	I539-F577 HydrophobicContact CD1-CD1 4.36Å; I539-F577 HydrophobicContact CD1-CE1 3.96Å; I539-F577 HydrophobicContact CG1-CE1 4.04Å; N542-F577 HydrophobicContact CB-CE2 3.69Å; N542-F577 HydrophobicContact CB-CZ 3.74Å; L545-F577 HydrophobicContact CD1-CD1 4.25Å; L545-F577 HydrophobicContact CD1-CD2 4.46Å; L545-F577 HydrophobicContact CD1-CE1 4.47Å; L545-F577 HydrophobicContact CD1-CG 4.23Å; L545-F577 HydrophobicContact CD2-CB 4.13Å; L545-F577 HydrophobicContact CD2-CG 4.38Å; L545-F577 HydrophobicContact CG-CB 4.44Å; L545-F577 HydrophobicContact CG-CD2 4.12Å; L545-F577 HydrophobicContact CG-CG 4.15Å; E568-F577 CarbonylContact C-O 3.59Å; E568-F577 VanDerWaalsContact CA-O 3.3Å; E568-F577 WeakPolarHBondContact CA-O 3.21Å; R569-F577 HydrophobicContact CB-CB 4.46Å; R569-F577 PolarHBondContact N-O 2.76Å; R569-F577 PolarHBondContact O-N 2.68Å; F577-K604 HydrophobicContact CE1-CG 4.4Å; F577-V636 HydrophobicContact CD1-CG1 3.92Å; F577-F637 CarbonylContact C-O 3.56Å; F577-F637 VanDerWaalsContact CA-O 3.22Å; F577-F637 WeakPolarHBondContact CA-O 3.44Å; F577-K638 HydrophobicContact CD1-CB 4.27Å; F577-K638 HydrophobicContact CE1-CB 3.91Å; F577-K638 HydrophobicContact CE1-CG 4.17Å; F577-K638 HydrophobicContact CZ-CB 4.35Å; F577-K638 HydrophobicContact CZ-CG 4.1Å
578	I	97.9	Very high	89.6	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	125.7	172.4	-63.6	175	0	0	0	107.3	L553 I566 F567 F594 V597 C598 F637 C639	L553-I578 HydrophobicContact CD1-CG2 4.43Å; I566-I578 HydrophobicContact CG2-CG2 4.26Å; F567-I578 WeakPolarHBondContact O-CA 3.48Å; I578-F594 HydrophobicContact CD1-CB 4.25Å; I578-F594 HydrophobicContact CD1-CD1 3.79Å; I578-F594 HydrophobicContact CD1-CE1 4.48Å; I578-F594 HydrophobicContact CD1-CG 4.22Å; I578-F594 HydrophobicContact CG2-CD1 3.81Å; I578-F594 HydrophobicContact CG2-CE1 3.4Å; I578-F594 VanDerWaalsContact CG2-CE1 3.4Å; I578-F594 HydrophobicContact CG2-CZ 4.03Å; I578-V597 HydrophobicContact CD1-CB 4.2Å; I578-V597 HydrophobicContact CD1-CG1 3.95Å; I578-V597 HydrophobicContact CG1-CG1 4.32Å; I578-C598 HydrophobicContact CD1-CB 3.75Å; I578-F637 HydrophobicContact CB-CB 4.42Å; I578-F637 PolarHBondContact N-O 2.93Å; I578-F637 PolarHBondContact O-N 2.95Å; I578-C639 WeakPolarHBondContact CD1-SG 3.3Å
579	V	97.7	Very high	89.2	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	131.8	179.8	178.7	0	0	0	0	108.3	L435 I566 F567 L581 Y635 V636	L435-V579 HydrophobicContact CB-CG2 4.44Å; L435-V579 HydrophobicContact CD1-CG1 3.71Å; L435-V579 HydrophobicContact CD1-CG2 4.32Å; L435-V579 HydrophobicContact CD2-CG2 4.41Å; I566-V579 VanDerWaalsContact CA-O 3.31Å; I566-V579 WeakPolarHBondContact CA-O 3.26Å; F567-V579 HydrophobicContact CD1-CB 4.02Å; F567-V579 HydrophobicContact CD1-CG1 4.21Å; F567-V579 HydrophobicContact CD2-CB 4.14Å; F567-V579 HydrophobicContact CD2-CG2 4.35Å; F567-V579 HydrophobicContact CE1-CB 3.61Å; F567-V579 HydrophobicContact CE1-CG1 3.45Å; F567-V579 VanDerWaalsContact CE1-CG1 3.45Å; F567-V579 HydrophobicContact CE1-CG2 4.36Å; F567-V579 HydrophobicContact CE2-CB 3.75Å; F567-V579 HydrophobicContact CE2-CG1 4.3Å; F567-V579 HydrophobicContact CE2-CG2 3.69Å; F567-V579 HydrophobicContact CG-CB 4.27Å; F567-V579 HydrophobicContact CZ-CB 3.49Å; F567-V579 VanDerWaalsContact CZ-CB 3.49Å; F567-V579 HydrophobicContact CZ-CG1 3.52Å; F567-V579 HydrophobicContact CZ-CG2 3.72Å; F567-V579 PolarHBondContact N-O 3.43Å; F567-V579 PolarHBondContact O-N 3.05Å; V579-L581 HydrophobicContact CG1-CD1 4.03Å; V579-L581 HydrophobicContact CG1-CD2 4.08Å; V579-L581 HydrophobicContact CG1-CG 3.77Å; V579-Y635 WeakPolarHBondContact CA-O 2.97Å; V579-V636 HydrophobicContact CG2-CG1 4.24Å; V579-V636 HydrophobicContact CG2-CG2 4.35Å
580	V	95.6	Very high	88.7	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	119.9	173.8	-180	0	0	0	0	107.7	F564 I566 F594 L626 M633 Y635 F637	F564-V580 HydrophobicContact CD1-CG1 3.91Å; I566-V580 HydrophobicContact CD1-CG1 4.47Å; I566-V580 HydrophobicContact CD1-CG2 4.37Å; I566-V580 HydrophobicContact CG1-CB 4.49Å; I566-V580 HydrophobicContact CG1-CG1 4.16Å; I566-V580 HydrophobicContact CG1-CG2 4.19Å; I566-V580 HydrophobicContact CG2-CG2 4.16Å; V580-F594 HydrophobicContact CG2-CE1 4.44Å; V580-F594 HydrophobicContact CG2-CZ 3.76Å; V580-L626 HydrophobicContact CG1-CD1 3.89Å; V580-L626 HydrophobicContact CG1-CD2 4.11Å; V580-L626 HydrophobicContact CG2-CD2 4.44Å; V580-M633 HydrophobicContact CG1-SD 4.28Å; V580-Y635 PolarHBondContact N-O 3.19Å; V580-Y635 PolarHBondContact O-N 3.01Å; V580-F637 HydrophobicContact CG2-CE2 4.11Å
581	L	94.6	Very high	88.5	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	146.2	179.3	-61.5	170	0	0	0	110	I398 V428 A431 E565 F567 V579 M633 I634	I398-L581 HydrophobicContact CD1-CD1 3.27Å; V428-L581 HydrophobicContact CG1-CB 3.94Å; V428-L581 HydrophobicContact CG1-CD1 4.32Å; V428-L581 HydrophobicContact CG1-CD2 4.47Å; V428-L581 HydrophobicContact CG1-CG 4.46Å; A431-L581 HydrophobicContact CB-CD2 4.49Å; E565-L581 HydrophobicContact CB-CB 4.28Å; E565-L581 PolarHBondContact N-O 3.15Å; E565-L581 PolarHBondContact O-N 2.9Å; F567-L581 HydrophobicContact CE1-CD1 3.84Å; V579-L581 HydrophobicContact CG1-CD1 4.03Å; V579-L581 HydrophobicContact CG1-CD2 4.08Å; V579-L581 HydrophobicContact CG1-CG 3.77Å; L581-M633 CarbonylContact C-O 3.51Å; L581-M633 VanDerWaalsContact CA-O 3.31Å; L581-M633 WeakPolarHBondContact CA-O 3.39Å; L581-I634 HydrophobicContact CD2-CB 3.97Å; L581-I634 HydrophobicContact CD2-CG1 3.67Å; L581-I634 HydrophobicContact CD2-CG2 3.75Å
582	R	90.6	Very high	88.4	Confident	2 Å²	2	45.5 Å²	45.5	1%	0.008	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	114.6	169.4	-162.9	-174.2	-162.8	177.7	10.4	110.1	V428 L562 F564 N586 V588 S628 P632 M633	V428-R582 WeakPolarHBondContact CG2-O 3.47Å; L562-R582 PolarHBondContact O-NE 3.43Å; L562-R582 PolarHBondContact O-NH2 2.95Å; F564-R582 HydrophobicContact CD1-CB 4.14Å; F564-R582 HydrophobicContact CD1-CG 4.37Å; F564-R582 HydrophobicContact CE1-CB 4.3Å; F564-R582 HydrophobicContact CE1-CG 4.46Å; R582-N586 PolarHBondContact NH1-O 3.16Å; R582-V588 PolarHBondContact NH1-O 3.32Å; R582-V588 PolarHBondContact NH2-O 3.13Å; R582-S628 PolarHBondContact NH1-OG 3.08Å; R582-P632 CarbonylContact O-C 3.58Å; R582-P632 VanDerWaalsContact O-CA 3.29Å; R582-P632 WeakPolarHBondContact O-CA 3.4Å; R582-M633 HydrophobicContact CB-CB 3.93Å; R582-M633 PolarHBondContact N-O 3.3Å; R582-M633 PolarHBondContact O-N 3.33Å
583	K	85	Confident	88.4	Confident	91 Å²	91	39.8 Å²	39.8	40%	0.396	24%	0.243	S	C	.	.			trans	-79.7	-50.7	179.6	178.4	170.2	169.5	165.1	0	112.6	N396 D426 V428	N396-K583 PolarHBondContact OD1-NZ 3.38Å; D426-K583 WeakPolarHBondContact OD2-CE 3.5Å; D426-K583 IonicContact OD2-NZ 2.66Å; D426-K583 PolarHBondContact OD2-NZ 3.17Å; V428-K583 HydrophobicContact CB-CB 4.13Å; V428-K583 HydrophobicContact CG1-CB 4.21Å; V428-K583 HydrophobicContact CG2-CB 4.25Å
584	K	73.7	Confident	88.5	Confident	123 Å²	123	36.8 Å²	36.8	54%	0.535	21%	0.212	S	C	.	.	S	Bend	trans	-75.8	131.4	-172.7	-70.4	-179.4	-171.6	162.7	0	111.2	D563 N586	D563-K584 IonicContact OD2-NZ 3.57Å; K584-N586 VanDerWaalsContact C-N 3.27Å; K584-N586 PolarHBondContact O-N 3.5Å
585	P	64.5	Low	88.3	Confident	90 Å²	90	39.1 Å²	39.1	58%	0.584	23%	0.231	S	C	*	.			trans	-73.1	82.9	172.4	32.4	-35.9	0	0	0	109.8	G630	P585-G630 VanDerWaalsContact CB-C 3.44Å; P585-G630 WeakPolarHBondContact CB-O 3.33Å
586	N	69.3	Low	87.9	Confident	58 Å²	58	41.8 Å²	41.8	31%	0.31	25%	0.251	S	S	.	.			trans	-102.7	130.5	169	177.8	-10.4	0	0	0	108.4	R582 K584 V588 S628	R582-N586 PolarHBondContact NH1-O 3.16Å; K584-N586 VanDerWaalsContact C-N 3.27Å; K584-N586 PolarHBondContact O-N 3.5Å; N586-V588 PolarHBondContact O-N 2.99Å; N586-V588 WeakPolarHBondContact OD1-CG2 3.42Å; N586-V588 PolarHBondContact OD1-N 3.39Å; N586-S628 WeakPolarHBondContact O-CB 2.8Å; N586-S628 PolarHBondContact O-OG 2.87Å
587	A	69.1	Low	87.5	Confident	80 Å²	80	42.8 Å²	42.8	66%	0.661	26%	0.256	S	S	*	.			trans	-69.5	-14.8	-178.1	0	0	0	0	0	113.7	S589	A587-S589 PolarHBondContact O-N 2.99Å
588	V	85.1	Confident	87.1	Confident	75 Å²	75	42.9 Å²	42.9	46%	0.455	26%	0.257	S	S	.	.			trans	-75.6	118.9	-177.1	-174.7	0	0	0	0	110.3	L562 R582 N586	L562-V588 HydrophobicContact CD1-CG1 4.32Å; L562-V588 HydrophobicContact CD2-CB 3.93Å; L562-V588 HydrophobicContact CD2-CG1 3.48Å; L562-V588 VanDerWaalsContact CD2-CG1 3.48Å; R582-V588 PolarHBondContact NH1-O 3.32Å; R582-V588 PolarHBondContact NH2-O 3.13Å; N586-V588 PolarHBondContact O-N 2.99Å; N586-V588 WeakPolarHBondContact OD1-CG2 3.42Å; N586-V588 PolarHBondContact OD1-N 3.39Å
589	S	88.6	Confident	86.8	Confident	26 Å²	26	47 Å²	47	18%	0.182	29%	0.286	C	S	.	.			trans	-85.8	158.9	175.1	-59.3	0	0	0	0	111.1	A587 Y625 L626 K627 S628	A587-S589 PolarHBondContact O-N 2.99Å; S589-Y625 VanDerWaalsContact CB-CZ 3.48Å; S589-Y625 WeakPolarHBondContact CB-OH 3.36Å; S589-Y625 PolarHBondContact OG-OH 2.88Å; S589-L626 WeakPolarHBondContact CA-O 3Å; S589-L626 WeakPolarHBondContact CB-O 3.26Å; S589-K627 WeakPolarHBondContact OG-CA 2.86Å; S589-S628 PolarHBondContact OG-N 2.85Å
590	G	88.6	Confident	86.5	Confident	4 Å²	4	48.6 Å²	48.6	4%	0.041	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	169.7	-179.1	0	0	0	0	0	112.7	L626	G590-L626 PolarHBondContact N-O 2.87Å; G590-L626 VanDerWaalsContact N-O 3.16Å; G590-L626 PolarHBondContact O-N 3.31Å
591	T	91.7	Very high	86.5	Confident	66 Å²	66	48.7 Å²	48.7	41%	0.405	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	125.4	168.2	-58.3	0	0	0	0	108.7	I558 R623 V624	I558-T591 WeakPolarHBondContact CD1-O 3.3Å; I558-T591 WeakPolarHBondContact CG1-O 3.46Å; T591-R623 HydrophobicContact CG2-CB 4.4Å; T591-V624 WeakPolarHBondContact CA-O 3.41Å
592	F	93.3	Very high	86.6	Confident	18 Å²	18	49 Å²	49	8%	0.079	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	138.5	175.6	-164.3	-84	0	0	0	109.6	L553 I558 I566 F594 V624 L626	L553-F592 HydrophobicContact CB-CZ 4.14Å; I558-F592 HydrophobicContact CB-CD2 3.99Å; I558-F592 HydrophobicContact CG1-CD2 4.13Å; I558-F592 HydrophobicContact CG2-CD2 3.93Å; I566-F592 HydrophobicContact CD1-CB 4.3Å; I566-F592 HydrophobicContact CD1-CD1 4.45Å; I566-F592 HydrophobicContact CD1-CD2 3.48Å; I566-F592 VanDerWaalsContact CD1-CD2 3.48Å; I566-F592 HydrophobicContact CD1-CE2 3.82Å; I566-F592 HydrophobicContact CD1-CG 3.82Å; I566-F592 HydrophobicContact CD1-CZ 4.44Å; F592-F594 HydrophobicContact CB-CE2 4.24Å; F592-F594 HydrophobicContact CB-CZ 4.08Å; F592-F594 AromaticContact CD1-CD1 3.33Å; F592-F594 HydrophobicContact CD1-CD1 3.33Å; F592-F594 HydrophobicContact CD1-CD2 4.11Å; F592-F594 AromaticContact CD1-CE1 3.17Å; F592-F594 HydrophobicContact CD1-CE1 3.17Å; F592-F594 HydrophobicContact CD1-CE2 4.02Å; F592-F594 AromaticContact CD1-CG 3.8Å; F592-F594 HydrophobicContact CD1-CG 3.8Å; F592-F594 AromaticContact CD1-CZ 3.55Å; F592-F594 HydrophobicContact CD1-CZ 3.55Å; F592-F594 AromaticContact CE1-CD1 3.45Å; F592-F594 HydrophobicContact CE1-CD1 3.45Å; F592-F594 VanDerWaalsContact CE1-CD1 3.45Å; F592-F594 AromaticContact CE1-CE1 3.49Å; F592-F594 HydrophobicContact CE1-CE1 3.49Å; F592-F594 VanDerWaalsContact CE1-CE1 3.49Å; F592-F594 HydrophobicContact CE1-CG 4.24Å; F592-F594 HydrophobicContact CE1-CZ 4.31Å; F592-F594 HydrophobicContact CG-CE1 4.05Å; F592-F594 HydrophobicContact CG-CZ 4.07Å; F592-V624 PolarHBondContact N-O 2.67Å; F592-V624 VanDerWaalsContact N-O 3.08Å; F592-V624 PolarHBondContact O-N 2.93Å; F592-L626 HydrophobicContact CB-CD1 4.08Å
593	D	93.2	Very high	86.9	Confident	60 Å²	60	48.9 Å²	48.9	32%	0.321	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	105.9	179.1	-168	-17.1	0	0	0	109.9	S595 R623	D593-S595 VanDerWaalsContact C-N 3.32Å; D593-S595 VanDerWaalsContact CG-OG 3.28Å; D593-S595 WeakPolarHBondContact OD1-CB 3.2Å; D593-S595 PolarHBondContact OD1-N 3.03Å; D593-S595 PolarHBondContact OD1-OG 2.65Å; D593-R623 HydrophobicContact CB-CG 3.89Å; D593-R623 VanDerWaalsContact CG-CG 3.4Å; D593-R623 WeakPolarHBondContact OD2-CG 3.33Å
594	F	93.5	Very high	87.5	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	29%	0.292	C	S	.	.			trans	-88.6	2.9	-178.5	-63.9	-69.3	0	0	0	113.3	I566 I578 V580 F592 S596 V597 C598 I601 Q622 V624	I566-F594 HydrophobicContact CG2-CE1 3.91Å; I578-F594 HydrophobicContact CD1-CB 4.25Å; I578-F594 HydrophobicContact CD1-CD1 3.79Å; I578-F594 HydrophobicContact CD1-CE1 4.48Å; I578-F594 HydrophobicContact CD1-CG 4.22Å; I578-F594 HydrophobicContact CG2-CD1 3.81Å; I578-F594 HydrophobicContact CG2-CE1 3.4Å; I578-F594 VanDerWaalsContact CG2-CE1 3.4Å; I578-F594 HydrophobicContact CG2-CZ 4.03Å; V580-F594 HydrophobicContact CG2-CE1 4.44Å; V580-F594 HydrophobicContact CG2-CZ 3.76Å; F592-F594 HydrophobicContact CB-CE2 4.24Å; F592-F594 HydrophobicContact CB-CZ 4.08Å; F592-F594 AromaticContact CD1-CD1 3.33Å; F592-F594 HydrophobicContact CD1-CD1 3.33Å; F592-F594 HydrophobicContact CD1-CD2 4.11Å; F592-F594 AromaticContact CD1-CE1 3.17Å; F592-F594 HydrophobicContact CD1-CE1 3.17Å; F592-F594 HydrophobicContact CD1-CE2 4.02Å; F592-F594 AromaticContact CD1-CG 3.8Å; F592-F594 HydrophobicContact CD1-CG 3.8Å; F592-F594 AromaticContact CD1-CZ 3.55Å; F592-F594 HydrophobicContact CD1-CZ 3.55Å; F592-F594 AromaticContact CE1-CD1 3.45Å; F592-F594 HydrophobicContact CE1-CD1 3.45Å; F592-F594 VanDerWaalsContact CE1-CD1 3.45Å; F592-F594 AromaticContact CE1-CE1 3.49Å; F592-F594 HydrophobicContact CE1-CE1 3.49Å; F592-F594 VanDerWaalsContact CE1-CE1 3.49Å; F592-F594 HydrophobicContact CE1-CG 4.24Å; F592-F594 HydrophobicContact CE1-CZ 4.31Å; F592-F594 HydrophobicContact CG-CE1 4.05Å; F592-F594 HydrophobicContact CG-CZ 4.07Å; F594-S596 PolarHBondContact O-N 2.6Å; F594-S596 VanDerWaalsContact O-N 3.09Å; F594-V597 PolarHBondContact O-N 2.95Å; F594-C598 PolarHBondContact O-N 3.4Å; F594-I601 HydrophobicContact CB-CD1 3.44Å; F594-I601 VanDerWaalsContact CB-CD1 3.44Å; F594-I601 HydrophobicContact CB-CG1 4.43Å; F594-I601 HydrophobicContact CD2-CD1 3.58Å; F594-I601 HydrophobicContact CG-CD1 3.83Å; F594-Q622 HydrophobicContact CB-CB 4.49Å; F594-Q622 PolarHBondContact N-O 2.94Å; F594-V624 HydrophobicContact CD2-CB 4.02Å; F594-V624 HydrophobicContact CD2-CG2 3.65Å; F594-V624 HydrophobicContact CE2-CB 3.76Å; F594-V624 HydrophobicContact CE2-CG1 4.35Å; F594-V624 HydrophobicContact CE2-CG2 3.82Å
595	S	91	Very high	88.7	Confident	69 Å²	69	41.8 Å²	41.8	48%	0.483	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-26	-178	57	0	0	0	0	114	D593 V597	D593-S595 VanDerWaalsContact C-N 3.32Å; D593-S595 VanDerWaalsContact CG-OG 3.28Å; D593-S595 WeakPolarHBondContact OD1-CB 3.2Å; D593-S595 PolarHBondContact OD1-N 3.03Å; D593-S595 PolarHBondContact OD1-OG 2.65Å; S595-V597 VanDerWaalsContact C-N 3.3Å; S595-V597 PolarHBondContact O-N 3.41Å
596	S	87.9	Confident	90.1	Very high	104 Å²	104	38 Å²	38	73%	0.727	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75	-15.7	176.3	61.4	0	0	0	0	114.4	F594	F594-S596 PolarHBondContact O-N 2.6Å; F594-S596 VanDerWaalsContact O-N 3.09Å
597	V	88	Confident	91.3	Very high	30 Å²	30	36.8 Å²	36.8	18%	0.182	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.5	-31.8	-175	-173.6	0	0	0	0	111.5	L553 E568 I578 F594 S595	L553-V597 HydrophobicContact CD1-CG1 4.46Å; L553-V597 HydrophobicContact CD1-CG2 3.99Å; L553-V597 HydrophobicContact CD2-CG2 3.94Å; E568-V597 HydrophobicContact CG-CG1 4.25Å; E568-V597 WeakPolarHBondContact OE1-CG1 3.14Å; I578-V597 HydrophobicContact CD1-CB 4.2Å; I578-V597 HydrophobicContact CD1-CG1 3.95Å; I578-V597 HydrophobicContact CG1-CG1 4.32Å; F594-V597 PolarHBondContact O-N 2.95Å; S595-V597 VanDerWaalsContact C-N 3.3Å; S595-V597 PolarHBondContact O-N 3.41Å
598	C	91.2	Very high	92.3	Very high	4 Å²	4	34.1 Å²	34.1	3%	0.027	21%	0.21	C	C	.	.			trans	-143.4	126.7	-162.1	-156.1	0	0	0	0	111	I578 F594 S600 I601 C639	I578-C598 HydrophobicContact CD1-CB 3.75Å; F594-C598 PolarHBondContact O-N 3.4Å; C598-S600 PolarHBondContact SG-O 2.9Å; C598-I601 HydrophobicContact CB-CG1 4.12Å; C598-C639 HydrophobicContact CB-CB 4.18Å; C598-C639 WeakPolarHBondContact CB-SG 3.32Å; C598-C639 WeakPolarHBondContact SG-CA 3.32Å; C598-C639 WeakPolarHBondContact SG-CB 3.18Å; C598-C639 CovalentContact SG-SG 2.04Å; C598-C639 PolarHBondContact SG-SG 3.48Å
599	S	89.8	Confident	92.6	Very high	86 Å²	86	34.4 Å²	34.4	60%	0.601	21%	0.213	S	C	*	.	S	Bend	trans	-75	-39.8	175.3	30.3	0	0	0	0	112.5	Q622 E640	S599-Q622 PolarHBondContact O-NE2 2.88Å; S599-E640 WeakPolarHBondContact CB-O 3.31Å; S599-E640 PolarHBondContact OG-O 3.29Å
600	S	93.4	Very high	92.6	Very high	35 Å²	35	34.6 Å²	34.6	25%	0.245	21%	0.212	C	C	.	.	S	Bend	trans	-140.2	138	175.6	-175.5	0	0	0	0	110	C598 C639 E640	C598-S600 PolarHBondContact SG-O 2.9Å; S600-C639 WeakPolarHBondContact O-CA 3.16Å; S600-E640 WeakPolarHBondContact CB-O 3.19Å; S600-E640 PolarHBondContact N-O 2.79Å; S600-E640 PolarHBondContact O-N 2.94Å
601	I	94.7	Very high	92.6	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	125.5	-174.5	-54.8	174.4	0	0	0	108.3	F594 C598 V619 Q622 V624 F637	F594-I601 HydrophobicContact CB-CD1 3.44Å; F594-I601 VanDerWaalsContact CB-CD1 3.44Å; F594-I601 HydrophobicContact CB-CG1 4.43Å; F594-I601 HydrophobicContact CD2-CD1 3.58Å; F594-I601 HydrophobicContact CG-CD1 3.83Å; C598-I601 HydrophobicContact CB-CG1 4.12Å; I601-V619 PolarHBondContact O-N 2.9Å; I601-Q622 HydrophobicContact CD1-CB 3.98Å; I601-Q622 HydrophobicContact CD1-CG 4.27Å; I601-Q622 HydrophobicContact CG1-CG 4.41Å; I601-V624 HydrophobicContact CD1-CG2 3.98Å; I601-F637 HydrophobicContact CG2-CB 3.43Å; I601-F637 VanDerWaalsContact CG2-CB 3.43Å; I601-F637 HydrophobicContact CG2-CD1 3.42Å; I601-F637 VanDerWaalsContact CG2-CD1 3.42Å; I601-F637 HydrophobicContact CG2-CD2 4.29Å; I601-F637 HydrophobicContact CG2-CE1 4.24Å; I601-F637 HydrophobicContact CG2-CG 3.45Å; I601-F637 VanDerWaalsContact CG2-CG 3.45Å
602	I	97	Very high	92.5	Very high	7 Å²	7	47.3 Å²	47.3	4%	0.036	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	115.6	179.8	-58.5	175.5	0	0	0	108.7	K604 P618 F637 K638 E640	I602-K604 HydrophobicContact CG2-CD 4.48Å; I602-K604 PolarHBondContact O-N 3.29Å; I602-P618 HydrophobicContact CD1-CG 4.33Å; I602-P618 HydrophobicContact CG1-CB 4.34Å; I602-P618 HydrophobicContact CG1-CG 4.15Å; I602-F637 CarbonylContact O-C 3.49Å; I602-F637 WeakPolarHBondContact O-CA 2.94Å; I602-K638 PolarHBondContact N-O 2.55Å; I602-K638 PolarHBondContact O-N 3.11Å; I602-E640 HydrophobicContact CD1-CB 4.34Å; I602-E640 HydrophobicContact CD1-CG 3.87Å; I602-E640 WeakPolarHBondContact CD1-OE2 2.86Å
603	P	97.4	Very high	92.4	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	130.7	174.6	-20.1	34.7	0	0	0	110.8	I606 F613 I615 D616 Q617 V619 F637	P603-I606 HydrophobicContact CB-CD1 3.99Å; P603-I606 HydrophobicContact CB-CG1 3.84Å; P603-F613 HydrophobicContact CB-CB 4.21Å; P603-F613 HydrophobicContact CG-CB 3.99Å; P603-F613 HydrophobicContact CG-CD1 4.06Å; P603-F613 HydrophobicContact CG-CG 4.49Å; P603-I615 HydrophobicContact CB-CD1 4.23Å; P603-D616 PolarHBondContact O-N 2.78Å; P603-Q617 WeakPolarHBondContact CD-O 3.42Å; P603-V619 HydrophobicContact CG-CG2 3.74Å; P603-F637 HydrophobicContact CB-CD1 4.13Å; P603-F637 HydrophobicContact CB-CE1 4.14Å; P603-F637 HydrophobicContact CG-CD1 4.1Å; P603-F637 HydrophobicContact CG-CE1 4.01Å
604	K	97.7	Very high	92.4	Very high	57 Å²	57	46.9 Å²	46.9	25%	0.248	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	-38.9	174.7	-65	-55.8	-167.1	-174.2	0	112.4	I539 F577 I602 D616 V636 K638	I539-K604 HydrophobicContact CD1-CB 3.48Å; I539-K604 VanDerWaalsContact CD1-CB 3.48Å; I539-K604 HydrophobicContact CD1-CG 4.18Å; F577-K604 HydrophobicContact CE1-CG 4.4Å; I602-K604 HydrophobicContact CG2-CD 4.48Å; I602-K604 PolarHBondContact O-N 3.29Å; K604-D616 VanDerWaalsContact CD-OD1 3.24Å; K604-D616 WeakPolarHBondContact CD-OD1 3.44Å; K604-D616 WeakPolarHBondContact CE-OD1 3.42Å; K604-D616 IonicContact NZ-OD1 2.73Å; K604-D616 PolarHBondContact NZ-OD1 3.49Å; K604-V636 PolarHBondContact N-O 3.16Å; K604-K638 HydrophobicContact CD-CB 4.47Å; K604-K638 HydrophobicContact CG-CB 3.89Å
605	I	97.5	Very high	92.4	Very high	8 Å²	8	50.4 Å²	50.4	4%	0.041	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	131.2	173.3	-59.6	178	0	0	0	107.4	L532 D535 L536 I539 Y635 V636	L532-I605 HydrophobicContact CD1-CG2 3.49Å; L532-I605 VanDerWaalsContact CD1-CG2 3.49Å; D535-I605 HydrophobicContact CB-CD1 3.84Å; D535-I605 HydrophobicContact CB-CG1 4.15Å; L536-I605 HydrophobicContact CD2-CD1 3.93Å; L536-I605 HydrophobicContact CG-CD1 4.22Å; I539-I605 HydrophobicContact CB-CD1 4.12Å; I539-I605 HydrophobicContact CD1-CD1 3.99Å; I539-I605 HydrophobicContact CD1-CG1 4.07Å; I539-I605 HydrophobicContact CG2-CD1 3.68Å; I605-Y635 CarbonylContact O-C 3.56Å; I605-Y635 WeakPolarHBondContact O-CA 3.43Å; I605-V636 HydrophobicContact CB-CB 4.01Å; I605-V636 HydrophobicContact CB-CG2 4.09Å; I605-V636 HydrophobicContact CD1-CG2 4.37Å; I605-V636 HydrophobicContact CG1-CB 4.45Å; I605-V636 PolarHBondContact N-O 3.41Å; I605-V636 PolarHBondContact O-N 3.47Å
606	I	95.1	Very high	92.7	Very high	10 Å²	10	52 Å²	52	5%	0.051	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	105	178.8	-61.6	-66.8	0	0	0	108.3	P603 P608 N610 F613 I615 Y635 F637	P603-I606 HydrophobicContact CB-CD1 3.99Å; P603-I606 HydrophobicContact CB-CG1 3.84Å; I606-P608 CarbonylContact O-C 3.49Å; I606-N610 HydrophobicContact CG2-CB 3.79Å; I606-F613 HydrophobicContact CD1-CB 3.91Å; I606-F613 HydrophobicContact CD1-CG 4.21Å; I606-F613 HydrophobicContact CG1-CB 3.8Å; I606-F613 HydrophobicContact CG2-CB 4.27Å; I606-I615 HydrophobicContact CB-CD1 4.08Å; I606-I615 HydrophobicContact CG1-CD1 3.68Å; I606-Y635 HydrophobicContact CB-CD1 4.36Å; I606-Y635 HydrophobicContact CB-CE1 4.46Å; I606-Y635 HydrophobicContact CD1-CD1 3.84Å; I606-Y635 HydrophobicContact CD1-CD2 4.06Å; I606-Y635 HydrophobicContact CD1-CE1 4.38Å; I606-Y635 HydrophobicContact CD1-CG 3.67Å; I606-Y635 HydrophobicContact CG2-CD1 3.96Å; I606-Y635 HydrophobicContact CG2-CE1 3.61Å; I606-F637 HydrophobicContact CD1-CE1 3.83Å; I606-F637 HydrophobicContact CD1-CZ 4.02Å
607	Y	93.8	Very high	93	Very high	33 Å²	33	52.5 Å²	52.5	13%	0.129	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	132.1	175.2	-171.7	-85.3	0	0	0	111.2	L427 I527 L532 P632 M633 I634 Y635	L427-Y607 HydrophobicContact CD1-CD1 4.29Å; L427-Y607 HydrophobicContact CD1-CE1 3.43Å; L427-Y607 VanDerWaalsContact CD1-CE1 3.43Å; L427-Y607 HydrophobicContact CD1-CE2 4.46Å; L427-Y607 WeakPolarHBondContact CD1-OH 3.31Å; I527-Y607 HydrophobicContact CG2-CD2 3.99Å; I527-Y607 HydrophobicContact CG2-CE2 4.32Å; L532-Y607 HydrophobicContact CB-CD2 4.44Å; L532-Y607 HydrophobicContact CD2-CD1 4.2Å; L532-Y607 HydrophobicContact CD2-CD2 3.81Å; L532-Y607 HydrophobicContact CD2-CE2 4.24Å; L532-Y607 HydrophobicContact CD2-CG 3.77Å; Y607-P632 HydrophobicContact CE1-CG 4.44Å; Y607-M633 CarbonylContact O-C 3.53Å; Y607-M633 WeakPolarHBondContact O-CA 3.47Å; Y607-I634 PolarHBondContact N-O 3.01Å; Y607-I634 PolarHBondContact O-N 3.39Å; Y607-Y635 VanDerWaalsContact O-CE1 3.28Å; Y607-Y635 WeakPolarHBondContact O-CE1 3.48Å
608	P	90.6	Very high	93.3	Very high	24 Å²	24	55.1 Å²	55.1	16%	0.156	30%	0.297	C	S	.	.	S	Bend	cis	-63.2	159.1	-10	29.6	-36.5	0	0	0	111.3	I606 N610 Q631 P632	I606-P608 CarbonylContact O-C 3.49Å; P608-N610 PolarHBondContact O-N 3.33Å; P608-Q631 HydrophobicContact CG-CB 4.24Å; P608-P632 WeakPolarHBondContact CD-O 3.45Å
609	P	89.7	Confident	93.4	Very high	80 Å²	80	56.5 Å²	56.5	52%	0.519	31%	0.306	S	S	.	.			trans	-58.3	131.3	-175.6	-24.4	34.5	0	0	0	112.3	I527	I527-P609 HydrophobicContact CB-CG 3.74Å; I527-P609 HydrophobicContact CD1-CB 3.9Å; I527-P609 HydrophobicContact CD1-CG 3.48Å; I527-P609 VanDerWaalsContact CD1-CG 3.48Å; I527-P609 HydrophobicContact CG1-CG 4.13Å; I527-P609 HydrophobicContact CG2-CG 4.05Å
610	N	89.6	Confident	93.3	Very high	31 Å²	31	56.7 Å²	56.7	17%	0.166	32%	0.321	C	S	.	.			trans	-130	113.8	-179.5	-175.1	-13.9	0	0	0	110.3	I606 P608 N612 F613	I606-N610 HydrophobicContact CG2-CB 3.79Å; P608-N610 PolarHBondContact O-N 3.33Å; N610-N612 PolarHBondContact O-N 2.72Å; N610-N612 WeakPolarHBondContact OD1-CB 3.19Å; N610-N612 PolarHBondContact OD1-N 2.93Å; N610-N612 VanDerWaalsContact OD1-N 3.08Å; N610-F613 HydrophobicContact CB-CD2 4.13Å; N610-F613 PolarHBondContact O-N 2.96Å
611	K	87.5	Confident	93.2	Very high	205 Å²	205	57.5 Å²	57.5	89%	0.891	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-21	-177.8	-64.5	-177.6	179.9	-179.8	0	113.9	F613	K611-F613 VanDerWaalsContact C-N 3.27Å
612	N	89.5	Confident	93	Very high	132 Å²	132	60.5 Å²	60.5	71%	0.706	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-10.4	177.1	-60.4	-37.4	0	0	0	113.1	N610 P614	N610-N612 PolarHBondContact O-N 2.72Å; N610-N612 WeakPolarHBondContact OD1-CB 3.19Å; N610-N612 PolarHBondContact OD1-N 2.93Å; N610-N612 VanDerWaalsContact OD1-N 3.08Å; N612-P614 VanDerWaalsContact O-CD 3.31Å; N612-P614 WeakPolarHBondContact O-CD 3.48Å
613	F	91.9	Very high	92.8	Very high	18 Å²	18	67.9 Å²	67.9	8%	0.079	37%	0.368	C	S	.	.	S	Bend	trans	-116.9	74.6	172.5	-66.4	-67.6	0	0	0	109.7	P603 I606 N610 K611 I615 V619 V624 Y635 F637	P603-F613 HydrophobicContact CB-CB 4.21Å; P603-F613 HydrophobicContact CG-CB 3.99Å; P603-F613 HydrophobicContact CG-CD1 4.06Å; P603-F613 HydrophobicContact CG-CG 4.49Å; I606-F613 HydrophobicContact CD1-CB 3.91Å; I606-F613 HydrophobicContact CD1-CG 4.21Å; I606-F613 HydrophobicContact CG1-CB 3.8Å; I606-F613 HydrophobicContact CG2-CB 4.27Å; N610-F613 HydrophobicContact CB-CD2 4.13Å; N610-F613 PolarHBondContact O-N 2.96Å; K611-F613 VanDerWaalsContact C-N 3.27Å; F613-I615 PolarHBondContact O-N 3.08Å; F613-V619 HydrophobicContact CD1-CG2 3.94Å; F613-V619 HydrophobicContact CE1-CG1 4.26Å; F613-V619 HydrophobicContact CE1-CG2 4.13Å; F613-V624 HydrophobicContact CE1-CG1 3.77Å; F613-V624 HydrophobicContact CZ-CG1 3.49Å; F613-V624 VanDerWaalsContact CZ-CG1 3.49Å; F613-Y635 HydrophobicContact CD2-CE2 4.28Å; F613-Y635 HydrophobicContact CE2-CE2 4.09Å; F613-F637 HydrophobicContact CD1-CE1 4.22Å; F613-F637 HydrophobicContact CE1-CE1 4.46Å
614	P	92.7	Very high	92.5	Very high	50 Å²	50	68 Å²	68	33%	0.325	37%	0.369	S	S	.	.			trans	-58.8	128.5	172.4	23	-30.5	0	0	0	110.2	N612 Q617	N612-P614 VanDerWaalsContact O-CD 3.31Å; N612-P614 WeakPolarHBondContact O-CD 3.48Å; P614-Q617 HydrophobicContact CB-CB 4.07Å; P614-Q617 HydrophobicContact CB-CG 4.2Å; P614-Q617 HydrophobicContact CG-CB 3.85Å; P614-Q617 HydrophobicContact CG-CG 4.41Å; P614-Q617 PolarHBondContact O-N 3.27Å
615	I	95.1	Very high	92.2	Very high	75 Å²	75	71.5 Å²	71.5	39%	0.385	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	141.3	177.2	-56.9	-55	0	0	0	109.3	P603 I606 F613 Q617	P603-I615 HydrophobicContact CB-CD1 4.23Å; I606-I615 HydrophobicContact CB-CD1 4.08Å; I606-I615 HydrophobicContact CG1-CD1 3.68Å; F613-I615 PolarHBondContact O-N 3.08Å; I615-Q617 PolarHBondContact O-N 3.35Å
616	D	95.7	Very high	91.9	Very high	101 Å²	101	71.1 Å²	71.1	54%	0.54	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.1	13.4	179.6	-60.1	-45.1	0	0	0	116	P603 K604	P603-D616 PolarHBondContact O-N 2.78Å; K604-D616 VanDerWaalsContact CD-OD1 3.24Å; K604-D616 WeakPolarHBondContact CD-OD1 3.44Å; K604-D616 WeakPolarHBondContact CE-OD1 3.42Å; K604-D616 IonicContact NZ-OD1 2.73Å; K604-D616 PolarHBondContact NZ-OD1 3.49Å
617	Q	95.4	Very high	91.4	Very high	115 Å²	115	76 Å²	76	54%	0.537	40%	0.4	S	S	.	.	S	Bend	trans	-116.6	130.7	176.3	-66.7	179.5	27.2	0	0	110.8	P603 P614 I615 V619	P603-Q617 WeakPolarHBondContact CD-O 3.42Å; P614-Q617 HydrophobicContact CB-CB 4.07Å; P614-Q617 HydrophobicContact CB-CG 4.2Å; P614-Q617 HydrophobicContact CG-CB 3.85Å; P614-Q617 HydrophobicContact CG-CG 4.41Å; P614-Q617 PolarHBondContact O-N 3.27Å; I615-Q617 PolarHBondContact O-N 3.35Å; Q617-V619 PolarHBondContact O-N 2.87Å
618	P	94.1	Very high	90.8	Very high	85 Å²	85	74.8 Å²	74.8	55%	0.552	40%	0.397	S	S	*	.			trans	-57.2	136.1	178.4	-24.6	33.2	0	0	0	113	I602	I602-P618 HydrophobicContact CD1-CG 4.33Å; I602-P618 HydrophobicContact CG1-CB 4.34Å; I602-P618 HydrophobicContact CG1-CG 4.15Å
619	V	92.3	Very high	90.2	Very high	34 Å²	34	78 Å²	78	21%	0.206	41%	0.413	C	S	.	.			trans	-74.6	132.4	171.5	-171.9	0	0	0	0	108.7	I601 P603 F613 Q617 S621	I601-V619 PolarHBondContact O-N 2.9Å; P603-V619 HydrophobicContact CG-CG2 3.74Å; F613-V619 HydrophobicContact CD1-CG2 3.94Å; F613-V619 HydrophobicContact CE1-CG1 4.26Å; F613-V619 HydrophobicContact CE1-CG2 4.13Å; Q617-V619 PolarHBondContact O-N 2.87Å; V619-S621 WeakPolarHBondContact CG1-O 3.35Å; V619-S621 PolarHBondContact O-N 2.58Å
620	G	88.6	Confident	89.8	Confident	90 Å²	90	75.2 Å²	75.2	93%	0.928	40%	0.398	S	S	*	.	S	Bend	trans	-66.3	-5.2	-177.5	0	0	0	0	0	115.8
621	S	91	Very high	89.7	Confident	52 Å²	52	78.4 Å²	78.4	36%	0.364	41%	0.412	S	S	.	.			trans	-152.4	142.2	178.7	175.5	0	0	0	0	110.6	V619 R623	V619-S621 WeakPolarHBondContact CG1-O 3.35Å; V619-S621 PolarHBondContact O-N 2.58Å; S621-R623 VanDerWaalsContact C-N 3.25Å; S621-R623 PolarHBondContact OG-N 3.08Å; S621-R623 VanDerWaalsContact OG-N 3.12Å
622	Q	91.3	Very high	89.8	Confident	63 Å²	63	70.2 Å²	70.2	29%	0.294	38%	0.38	S	S	.	.	S	Bend	trans	-79.9	-10.1	174.3	-55	77.5	5.3	0	0	112.3	F594 S599 I601 V624	F594-Q622 HydrophobicContact CB-CB 4.49Å; F594-Q622 PolarHBondContact N-O 2.94Å; S599-Q622 PolarHBondContact O-NE2 2.88Å; I601-Q622 HydrophobicContact CD1-CB 3.98Å; I601-Q622 HydrophobicContact CD1-CG 4.27Å; I601-Q622 HydrophobicContact CG1-CG 4.41Å; Q622-V624 PolarHBondContact O-N 2.81Å
623	R	91.9	Very high	89.9	Confident	163 Å²	163	64 Å²	64	62%	0.615	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.2	97.8	168.3	-70	-176.3	72.8	145.1	2.1	108.9	T591 D593 S621	T591-R623 HydrophobicContact CG2-CB 4.4Å; D593-R623 HydrophobicContact CB-CG 3.89Å; D593-R623 VanDerWaalsContact CG-CG 3.4Å; D593-R623 WeakPolarHBondContact OD2-CG 3.33Å; S621-R623 VanDerWaalsContact C-N 3.25Å; S621-R623 PolarHBondContact OG-N 3.08Å; S621-R623 VanDerWaalsContact OG-N 3.12Å
624	V	92	Very high	90.1	Very high	3 Å²	3	63.2 Å²	63.2	2%	0.018	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	126.8	-170.6	177.7	0	0	0	0	109.7	T591 F592 F594 I601 F613 Q622 L626 F637	T591-V624 WeakPolarHBondContact CA-O 3.41Å; F592-V624 PolarHBondContact N-O 2.67Å; F592-V624 VanDerWaalsContact N-O 3.08Å; F592-V624 PolarHBondContact O-N 2.93Å; F594-V624 HydrophobicContact CD2-CB 4.02Å; F594-V624 HydrophobicContact CD2-CG2 3.65Å; F594-V624 HydrophobicContact CE2-CB 3.76Å; F594-V624 HydrophobicContact CE2-CG1 4.35Å; F594-V624 HydrophobicContact CE2-CG2 3.82Å; I601-V624 HydrophobicContact CD1-CG2 3.98Å; F613-V624 HydrophobicContact CE1-CG1 3.77Å; F613-V624 HydrophobicContact CZ-CG1 3.49Å; F613-V624 VanDerWaalsContact CZ-CG1 3.49Å; Q622-V624 PolarHBondContact O-N 2.81Å; V624-L626 HydrophobicContact CG1-CD2 3.87Å; V624-L626 PolarHBondContact O-N 3.12Å; V624-F637 HydrophobicContact CG1-CZ 4.43Å
625	Y	91.2	Very high	90.2	Very high	130 Å²	130	61 Å²	61	51%	0.51	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	111	171.7	-177.4	-103.9	0	0	0	110.1	S589 K627	S589-Y625 VanDerWaalsContact CB-CZ 3.48Å; S589-Y625 WeakPolarHBondContact CB-OH 3.36Å; S589-Y625 PolarHBondContact OG-OH 2.88Å; Y625-K627 HydrophobicContact CD1-CB 3.91Å; Y625-K627 HydrophobicContact CE1-CB 3.6Å; Y625-K627 HydrophobicContact CE1-CG 4Å; Y625-K627 PolarHBondContact O-N 3.47Å
626	L	90	Very high	90.4	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	84.9	178.4	-57.9	176.2	0	0	0	108.4	I558 F564 I566 V580 S589 G590 F592 V624 S628 Y635	I558-L626 HydrophobicContact CG2-CD1 4.37Å; F564-L626 HydrophobicContact CD1-CB 4.5Å; F564-L626 HydrophobicContact CD1-CD1 3.94Å; F564-L626 HydrophobicContact CE1-CB 3.74Å; F564-L626 HydrophobicContact CE1-CD1 4.02Å; F564-L626 HydrophobicContact CE1-CG 4.48Å; F564-L626 HydrophobicContact CG-CD1 4.43Å; F564-L626 HydrophobicContact CZ-CB 3.94Å; I566-L626 HydrophobicContact CD1-CD1 4.3Å; V580-L626 HydrophobicContact CG1-CD1 3.89Å; V580-L626 HydrophobicContact CG1-CD2 4.11Å; V580-L626 HydrophobicContact CG2-CD2 4.44Å; S589-L626 WeakPolarHBondContact CA-O 3Å; S589-L626 WeakPolarHBondContact CB-O 3.26Å; G590-L626 PolarHBondContact N-O 2.87Å; G590-L626 VanDerWaalsContact N-O 3.16Å; G590-L626 PolarHBondContact O-N 3.31Å; F592-L626 HydrophobicContact CB-CD1 4.08Å; V624-L626 HydrophobicContact CG1-CD2 3.87Å; V624-L626 PolarHBondContact O-N 3.12Å; L626-S628 PolarHBondContact O-N 3.2Å; L626-Y635 HydrophobicContact CD2-CD2 4.12Å; L626-Y635 HydrophobicContact CD2-CE2 4.38Å
627	K	84.6	Confident	90.5	Very high	111 Å²	111	52.6 Å²	52.6	48%	0.483	28%	0.284	S	S	.	.			trans	-68.9	122.9	179.6	-174.7	-176.5	174.8	-170.9	0	110	S589 Y625 M633	S589-K627 WeakPolarHBondContact OG-CA 2.86Å; Y625-K627 HydrophobicContact CD1-CB 3.91Å; Y625-K627 HydrophobicContact CE1-CB 3.6Å; Y625-K627 HydrophobicContact CE1-CG 4Å; Y625-K627 PolarHBondContact O-N 3.47Å; K627-M633 WeakPolarHBondContact O-CE 3.43Å
628	S	81.3	Confident	90.6	Very high	9 Å²	9	49 Å²	49	6%	0.063	27%	0.267	C	S	.	.			trans	-102.5	138.4	169.9	-160.2	0	0	0	0	111.2	R582 N586 S589 L626	R582-S628 PolarHBondContact NH1-OG 3.08Å; N586-S628 WeakPolarHBondContact O-CB 2.8Å; N586-S628 PolarHBondContact O-OG 2.87Å; S589-S628 PolarHBondContact OG-N 2.85Å; L626-S628 PolarHBondContact O-N 3.2Å
629	D	79.1	Confident	90.7	Very high	91 Å²	91	45.5 Å²	45.5	49%	0.487	24%	0.244	S	C	.	.			trans	-125.4	11.4	176.9	59.3	-0.7	0	0	0	112.4	Q631	D629-Q631 WeakPolarHBondContact OD1-CB 3.38Å; D629-Q631 PolarHBondContact OD1-N 2.57Å; D629-Q631 VanDerWaalsContact OD1-N 3.13Å
630	G	81	Confident	90.4	Very high	21 Å²	21	50.2 Å²	50.2	22%	0.216	26%	0.264	C	S	.	.	S	Bend	trans	79.8	19.5	-176.3	0	0	0	0	0	113.6	P585	P585-G630 VanDerWaalsContact CB-C 3.44Å; P585-G630 WeakPolarHBondContact CB-O 3.33Å
631	Q	86.5	Confident	90.5	Very high	99 Å²	99	48.2 Å²	48.2	46%	0.463	23%	0.231	S	C	.	.	S	Bend	trans	-107	156.7	165.4	-63.8	-63	-68.5	0	0	110.6	P608 D629 M633	P608-Q631 HydrophobicContact CG-CB 4.24Å; D629-Q631 WeakPolarHBondContact OD1-CB 3.38Å; D629-Q631 PolarHBondContact OD1-N 2.57Å; D629-Q631 VanDerWaalsContact OD1-N 3.13Å; Q631-M633 PolarHBondContact O-N 3.18Å
632	P	90.1	Very high	90.5	Very high	32 Å²	32	48 Å²	48	21%	0.208	22%	0.224	C	C	.	.			trans	-59.4	137.6	169.6	25.2	-33.4	0	0	0	110.3	L427 V428 R582 Y607 P608	L427-P632 HydrophobicContact CD1-CG 4.31Å; V428-P632 HydrophobicContact CG2-CB 3.98Å; R582-P632 CarbonylContact O-C 3.58Å; R582-P632 VanDerWaalsContact O-CA 3.29Å; R582-P632 WeakPolarHBondContact O-CA 3.4Å; Y607-P632 HydrophobicContact CE1-CG 4.44Å; P608-P632 WeakPolarHBondContact CD-O 3.45Å
633	M	92.6	Very high	90.4	Very high	3 Å²	3	47.2 Å²	47.2	2%	0.015	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	131.5	-177.6	-174.7	-174.6	-63.9	0	0	110.6	F564 V580 L581 R582 Y607 K627 Q631 Y635	F564-M633 HydrophobicContact CE1-CE 4.01Å; F564-M633 HydrophobicContact CE1-SD 3.88Å; V580-M633 HydrophobicContact CG1-SD 4.28Å; L581-M633 CarbonylContact C-O 3.51Å; L581-M633 VanDerWaalsContact CA-O 3.31Å; L581-M633 WeakPolarHBondContact CA-O 3.39Å; R582-M633 HydrophobicContact CB-CB 3.93Å; R582-M633 PolarHBondContact N-O 3.3Å; R582-M633 PolarHBondContact O-N 3.33Å; Y607-M633 CarbonylContact O-C 3.53Å; Y607-M633 WeakPolarHBondContact O-CA 3.47Å; K627-M633 WeakPolarHBondContact O-CE 3.43Å; Q631-M633 PolarHBondContact O-N 3.18Å; M633-Y635 HydrophobicContact CE-CE2 4.36Å; M633-Y635 HydrophobicContact CG-CD1 3.65Å; M633-Y635 HydrophobicContact CG-CD2 4.29Å; M633-Y635 HydrophobicContact CG-CE1 3.52Å; M633-Y635 HydrophobicContact CG-CE2 4.21Å; M633-Y635 HydrophobicContact CG-CG 4.04Å; M633-Y635 HydrophobicContact SD-CD1 4.33Å; M633-Y635 HydrophobicContact SD-CD2 3.9Å; M633-Y635 HydrophobicContact SD-CE1 4.14Å; M633-Y635 HydrophobicContact SD-CE2 3.72Å; M633-Y635 HydrophobicContact SD-CG 4.22Å
634	I	95.5	Very high	90.3	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	98.2	173.6	-58.6	154.3	0	0	0	108.6	L427 V428 A431 L435 L532 L536 L581 Y607	L427-I634 HydrophobicContact CB-CD1 3.88Å; L427-I634 WeakPolarHBondContact O-CD1 3.32Å; V428-I634 HydrophobicContact CG2-CG1 4.24Å; A431-I634 HydrophobicContact CB-CD1 3.7Å; A431-I634 HydrophobicContact CB-CG1 4.05Å; A431-I634 HydrophobicContact CB-CG2 4.04Å; L435-I634 HydrophobicContact CD1-CG2 4.42Å; L532-I634 HydrophobicContact CD2-CD1 3.68Å; L536-I634 HydrophobicContact CD2-CG2 4.49Å; L581-I634 HydrophobicContact CD2-CB 3.97Å; L581-I634 HydrophobicContact CD2-CG1 3.67Å; L581-I634 HydrophobicContact CD2-CG2 3.75Å; Y607-I634 PolarHBondContact N-O 3.01Å; Y607-I634 PolarHBondContact O-N 3.39Å
635	Y	95.9	Very high	90.2	Very high	4 Å²	4	42.7 Å²	42.7	2%	0.016	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	127.9	175.5	-62.6	-4	0	0	0	109.5	V579 V580 I605 I606 Y607 F613 L626 M633 F637	V579-Y635 WeakPolarHBondContact CA-O 2.97Å; V580-Y635 PolarHBondContact N-O 3.19Å; V580-Y635 PolarHBondContact O-N 3.01Å; I605-Y635 CarbonylContact O-C 3.56Å; I605-Y635 WeakPolarHBondContact O-CA 3.43Å; I606-Y635 HydrophobicContact CB-CD1 4.36Å; I606-Y635 HydrophobicContact CB-CE1 4.46Å; I606-Y635 HydrophobicContact CD1-CD1 3.84Å; I606-Y635 HydrophobicContact CD1-CD2 4.06Å; I606-Y635 HydrophobicContact CD1-CE1 4.38Å; I606-Y635 HydrophobicContact CD1-CG 3.67Å; I606-Y635 HydrophobicContact CG2-CD1 3.96Å; I606-Y635 HydrophobicContact CG2-CE1 3.61Å; Y607-Y635 VanDerWaalsContact O-CE1 3.28Å; Y607-Y635 WeakPolarHBondContact O-CE1 3.48Å; F613-Y635 HydrophobicContact CD2-CE2 4.28Å; F613-Y635 HydrophobicContact CE2-CE2 4.09Å; L626-Y635 HydrophobicContact CD2-CD2 4.12Å; L626-Y635 HydrophobicContact CD2-CE2 4.38Å; M633-Y635 HydrophobicContact CE-CE2 4.36Å; M633-Y635 HydrophobicContact CG-CD1 3.65Å; M633-Y635 HydrophobicContact CG-CD2 4.29Å; M633-Y635 HydrophobicContact CG-CE1 3.52Å; M633-Y635 HydrophobicContact CG-CE2 4.21Å; M633-Y635 HydrophobicContact CG-CG 4.04Å; M633-Y635 HydrophobicContact SD-CD1 4.33Å; M633-Y635 HydrophobicContact SD-CD2 3.9Å; M633-Y635 HydrophobicContact SD-CE1 4.14Å; M633-Y635 HydrophobicContact SD-CE2 3.72Å; M633-Y635 HydrophobicContact SD-CG 4.22Å; Y635-F637 HydrophobicContact CD2-CE2 4.23Å; Y635-F637 AromaticContact CD2-CZ 3.83Å; Y635-F637 HydrophobicContact CD2-CZ 3.83Å; Y635-F637 HydrophobicContact CG-CE2 4.44Å; Y635-F637 HydrophobicContact CG-CZ 4.22Å
636	V	98.2	Very high	90.2	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	119.9	174.4	-174	0	0	0	0	108.3	L435 I539 F577 V579 K604 I605	L435-V636 HydrophobicContact CD1-CG2 3.85Å; L435-V636 HydrophobicContact CD2-CG2 3.96Å; I539-V636 HydrophobicContact CD1-CB 4.24Å; I539-V636 HydrophobicContact CD1-CG1 3.65Å; F577-V636 HydrophobicContact CD1-CG1 3.92Å; V579-V636 HydrophobicContact CG2-CG1 4.24Å; V579-V636 HydrophobicContact CG2-CG2 4.35Å; K604-V636 PolarHBondContact N-O 3.16Å; I605-V636 HydrophobicContact CB-CB 4.01Å; I605-V636 HydrophobicContact CB-CG2 4.09Å; I605-V636 HydrophobicContact CD1-CG2 4.37Å; I605-V636 HydrophobicContact CG1-CB 4.45Å; I605-V636 PolarHBondContact N-O 3.41Å; I605-V636 PolarHBondContact O-N 3.47Å
637	F	97.8	Very high	90.2	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	140.9	178.1	-55.4	-77.8	0	0	0	110.5	F577 I578 V580 I601 I602 P603 I606 F613 V624 Y635	F577-F637 CarbonylContact C-O 3.56Å; F577-F637 VanDerWaalsContact CA-O 3.22Å; F577-F637 WeakPolarHBondContact CA-O 3.44Å; I578-F637 HydrophobicContact CB-CB 4.42Å; I578-F637 PolarHBondContact N-O 2.93Å; I578-F637 PolarHBondContact O-N 2.95Å; V580-F637 HydrophobicContact CG2-CE2 4.11Å; I601-F637 HydrophobicContact CG2-CB 3.43Å; I601-F637 VanDerWaalsContact CG2-CB 3.43Å; I601-F637 HydrophobicContact CG2-CD1 3.42Å; I601-F637 VanDerWaalsContact CG2-CD1 3.42Å; I601-F637 HydrophobicContact CG2-CD2 4.29Å; I601-F637 HydrophobicContact CG2-CE1 4.24Å; I601-F637 HydrophobicContact CG2-CG 3.45Å; I601-F637 VanDerWaalsContact CG2-CG 3.45Å; I602-F637 CarbonylContact O-C 3.49Å; I602-F637 WeakPolarHBondContact O-CA 2.94Å; P603-F637 HydrophobicContact CB-CD1 4.13Å; P603-F637 HydrophobicContact CB-CE1 4.14Å; P603-F637 HydrophobicContact CG-CD1 4.1Å; P603-F637 HydrophobicContact CG-CE1 4.01Å; I606-F637 HydrophobicContact CD1-CE1 3.83Å; I606-F637 HydrophobicContact CD1-CZ 4.02Å; F613-F637 HydrophobicContact CD1-CE1 4.22Å; F613-F637 HydrophobicContact CE1-CE1 4.46Å; V624-F637 HydrophobicContact CG1-CZ 4.43Å; Y635-F637 HydrophobicContact CD2-CE2 4.23Å; Y635-F637 AromaticContact CD2-CZ 3.83Å; Y635-F637 HydrophobicContact CD2-CZ 3.83Å; Y635-F637 HydrophobicContact CG-CE2 4.44Å; Y635-F637 HydrophobicContact CG-CZ 4.22Å
638	K	97.7	Very high	90.6	Very high	40 Å²	40	34 Å²	34	17%	0.174	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	137.1	167.6	-175.2	-171.4	176.6	-159.5	0	109.2	P575 F577 I602 K604 E640	P575-K638 HydrophobicContact CB-CD 4.31Å; P575-K638 HydrophobicContact CB-CG 3.98Å; P575-K638 VanDerWaalsContact CG-CE 3.44Å; F577-K638 HydrophobicContact CD1-CB 4.27Å; F577-K638 HydrophobicContact CE1-CB 3.91Å; F577-K638 HydrophobicContact CE1-CG 4.17Å; F577-K638 HydrophobicContact CZ-CB 4.35Å; F577-K638 HydrophobicContact CZ-CG 4.1Å; I602-K638 PolarHBondContact N-O 2.55Å; I602-K638 PolarHBondContact O-N 3.11Å; K604-K638 HydrophobicContact CD-CB 4.47Å; K604-K638 HydrophobicContact CG-CB 3.89Å; K638-E640 HydrophobicContact CD-CG 4.47Å; K638-E640 WeakPolarHBondContact CE-OE1 3.35Å; K638-E640 IonicContact NZ-OE1 3.64Å; K638-E640 PolarHBondContact NZ-OE1 2.74Å
639	C	95.8	Very high	91.4	Very high	11 Å²	11	36.1 Å²	36.1	7%	0.074	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	133.8	172.1	-75.9	0	0	0	0	112.2	P575 A576 I578 C598 S600	P575-C639 WeakPolarHBondContact CB-O 3.49Å; A576-C639 HydrophobicContact CB-CB 4.02Å; A576-C639 WeakPolarHBondContact O-CB 3.3Å; A576-C639 PolarHBondContact O-N 3.08Å; I578-C639 WeakPolarHBondContact CD1-SG 3.3Å; C598-C639 HydrophobicContact CB-CB 4.18Å; C598-C639 WeakPolarHBondContact CB-SG 3.32Å; C598-C639 WeakPolarHBondContact SG-CA 3.32Å; C598-C639 WeakPolarHBondContact SG-CB 3.18Å; C598-C639 CovalentContact SG-SG 2.04Å; C598-C639 PolarHBondContact SG-SG 3.48Å; S600-C639 WeakPolarHBondContact O-CA 3.16Å
640	E	86.6	Confident	92.5	Very high	132 Å²	132	31.1 Å²	31.1	62%	0.617	16%	0.162	S	C	*	.			trans	-129.7	0	172.6	-68.3	-170.2	176.2	0	0	112.7	S599 S600 I602 K638	S599-E640 WeakPolarHBondContact CB-O 3.31Å; S599-E640 PolarHBondContact OG-O 3.29Å; S600-E640 WeakPolarHBondContact CB-O 3.19Å; S600-E640 PolarHBondContact N-O 2.79Å; S600-E640 PolarHBondContact O-N 2.94Å; I602-E640 HydrophobicContact CD1-CB 4.34Å; I602-E640 HydrophobicContact CD1-CG 3.87Å; I602-E640 WeakPolarHBondContact CD1-OE2 2.86Å; K638-E640 HydrophobicContact CD-CG 4.47Å; K638-E640 WeakPolarHBondContact CE-OE1 3.35Å; K638-E640 IonicContact NZ-OE1 3.64Å; K638-E640 PolarHBondContact NZ-OE1 2.74Å

Retrieved 640 of 640 residues in 320 ms (Link to these results)

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