A0A087YHU0_POEFO Loading...

Endoplasmic reticulum protein 44

AlphaFold DB , UniProt , Accession A0A087YHU0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 409 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	35.1	Very low	38.6	Very low	231 Å²	231	147.6 Å²	147.6	100%	1.138	80%	0.798	S	S	*	*				0	100.9	0	-139	153.8	107.5	0	0	105.8
2	K	35.6	Very low	39.1	Very low	189 Å²	189	146.4 Å²	146.4	82%	0.822	79%	0.788	S	S	*	*				57.1	132.9	114.7	-65.6	-162.1	162	178.9	0	112.9
3	L	35.4	Very low	39.4	Very low	123 Å²	123	153.5 Å²	153.5	64%	0.644	80%	0.797	S	S	*	*			cis	-177.7	147.7	5.9	-132.2	103.9	0	0	0	105.9
4	F	37.5	Very low	39.6	Very low	167 Å²	167	157.4 Å²	157.4	73%	0.732	81%	0.805	S	S	*	*			trans	54.9	143.1	145.1	-82.5	-111.3	0	0	0	120.1	I6	F4-I6 HydrophobicContact CD1-CD1 4.25Å; F4-I6 HydrophobicContact CD1-CG1 4.49Å; F4-I6 HydrophobicContact CE1-CD1 4.45Å
5	V	38.1	Very low	39.9	Very low	124 Å²	124	152.8 Å²	152.8	75%	0.752	80%	0.8	S	S	*	*				-170.1	119.3	64.5	169.5	0	0	0	0	108
6	I	37.1	Very low	40.1	Very low	133 Å²	133	149.2 Å²	149.2	68%	0.682	80%	0.799	S	S	*	*				63.1	104.3	105.3	-50.6	171.2	0	0	0	118.7	F4	F4-I6 HydrophobicContact CD1-CD1 4.25Å; F4-I6 HydrophobicContact CD1-CG1 4.49Å; F4-I6 HydrophobicContact CE1-CD1 4.45Å
7	S	36.1	Very low	40.2	Very low	106 Å²	106	147.6 Å²	147.6	74%	0.741	80%	0.796	S	S	*	*			trans	63.1	166.5	130.9	-145.5	0	0	0	0	122.7
8	P	49	Very low	40.6	Very low	115 Å²	115	147.8 Å²	147.8	75%	0.747	80%	0.795	S	S	*	*				-124.9	165.8	-53.7	31.5	-15.5	0	0	0	112.3
9	S	37.2	Very low	40.6	Very low	123 Å²	123	147.5 Å²	147.5	86%	0.86	79%	0.792	S	S	*	*			trans	-141	133.9	149.6	59.4	0	0	0	0	110.5
10	L	38.6	Very low	40.6	Very low	150 Å²	150	146.6 Å²	146.6	79%	0.785	79%	0.786	S	S	*	*			trans	-92.6	114.7	-162.8	-176.3	71.6	0	0	0	108.9	I12	L10-I12 HydrophobicContact CD2-CD1 3.88Å; L10-I12 HydrophobicContact CD2-CG1 4.2Å; L10-I12 HydrophobicContact CG-CD1 4.36Å; L10-I12 HydrophobicContact CG-CG1 4.11Å; L10-I12 PolarHBondContact O-N 3.04Å
11	D	44.8	Very low	40.8	Very low	163 Å²	163	145.4 Å²	145.4	87%	0.872	78%	0.784	S	S	*	*			trans	-72.6	106.5	170.4	-86.9	-39	0	0	0	110.1
12	I	44.6	Very low	41.3	Very low	133 Å²	133	141.6 Å²	141.6	68%	0.682	77%	0.765	S	S	*	*			trans	-111	103.4	164.2	-60.3	178.9	0	0	0	107.3	L10 F14	L10-I12 HydrophobicContact CD2-CD1 3.88Å; L10-I12 HydrophobicContact CD2-CG1 4.2Å; L10-I12 HydrophobicContact CG-CD1 4.36Å; L10-I12 HydrophobicContact CG-CG1 4.11Å; L10-I12 PolarHBondContact O-N 3.04Å; I12-F14 PolarHBondContact O-N 2.83Å
13	R	43.8	Very low	41.7	Very low	239 Å²	239	135.7 Å²	135.7	90%	0.902	76%	0.758	S	S	*	*			trans	-68.1	124.1	170.6	-69.5	-176.7	174.4	-167.6	-1.9	109.1	A15	R13-A15 PolarHBondContact O-N 3.17Å
14	F	42.2	Very low	41.9	Very low	208 Å²	208	137.8 Å²	137.8	91%	0.912	77%	0.769	S	S	*	*			trans	-55.8	121.8	175.3	-94.1	-105.6	0	0	0	111.8	I12	I12-F14 PolarHBondContact O-N 2.83Å
15	A	42.8	Very low	42.3	Very low	88 Å²	88	135 Å²	135	73%	0.727	77%	0.77	S	S	*	*			trans	-84	115.4	160.5	0	0	0	0	0	108.3	R13 V17	R13-A15 PolarHBondContact O-N 3.17Å; A15-V17 PolarHBondContact O-N 2.99Å
16	A	43.3	Very low	42.6	Very low	95 Å²	95	134.6 Å²	134.6	79%	0.785	77%	0.768	S	S	*	*			trans	-77.8	106.9	170.9	0	0	0	0	0	109	I18	A16-I18 PolarHBondContact O-N 3.14Å
17	V	42.5	Very low	43.1	Very low	123 Å²	123	134.2 Å²	134.2	75%	0.745	77%	0.774	S	S	*	*			trans	-79.1	105.8	168.2	176.2	0	0	0	0	107.5	A15 L19	A15-V17 PolarHBondContact O-N 2.99Å; V17-L19 HydrophobicContact CG1-CD1 4.49Å; V17-L19 PolarHBondContact O-N 3.23Å
18	I	46.8	Very low	43.6	Very low	151 Å²	151	131.3 Å²	131.3	77%	0.774	76%	0.761	S	S	*	*			trans	-76.5	101.8	167.7	-64.8	176	0	0	0	106.8	A16 L20	A16-I18 PolarHBondContact O-N 3.14Å; I18-L20 PolarHBondContact O-N 3.29Å
19	L	40.6	Very low	43.7	Very low	141 Å²	141	132.4 Å²	132.4	74%	0.738	76%	0.756	S	S	*	*			trans	-76	98.6	170.7	-147.7	95.4	0	0	0	107.7	V17 V21	V17-L19 HydrophobicContact CG1-CD1 4.49Å; V17-L19 PolarHBondContact O-N 3.23Å; L19-V21 HydrophobicContact CD2-CG2 4.45Å; L19-V21 PolarHBondContact O-N 2.81Å
20	L	41.9	Very low	44.6	Very low	130 Å²	130	126.8 Å²	126.8	68%	0.681	72%	0.717	S	S	*	*			trans	-69.4	97.5	170.1	-164.3	95.2	0	0	0	107.6	I18 M22	I18-L20 PolarHBondContact O-N 3.29Å; L20-M22 VanDerWaalsContact C-N 3.25Å; L20-M22 HydrophobicContact CD2-CE 3.81Å; L20-M22 HydrophobicContact CD2-CG 3.87Å; L20-M22 PolarHBondContact O-N 2.63Å
21	V	43.9	Very low	46.4	Very low	121 Å²	121	128 Å²	128	73%	0.733	72%	0.719	S	S	*	*			trans	-69.7	90.6	168	-179.6	0	0	0	0	106.6	L19 G23	L19-V21 HydrophobicContact CD2-CG2 4.45Å; L19-V21 PolarHBondContact O-N 2.81Å; V21-G23 PolarHBondContact O-N 3.43Å; V21-G23 VanDerWaalsContact O-N 3.08Å
22	M	46.4	Very low	48.8	Very low	151 Å²	151	121.7 Å²	121.7	74%	0.744	69%	0.685	S	S	*	*			trans	-62	109.2	159.6	-67.4	-172.2	-165.9	0	0	105.9	L20 L24	L20-M22 VanDerWaalsContact C-N 3.25Å; L20-M22 HydrophobicContact CD2-CE 3.81Å; L20-M22 HydrophobicContact CD2-CG 3.87Å; L20-M22 PolarHBondContact O-N 2.63Å; M22-L24 PolarHBondContact O-N 3.4Å
23	G	42.3	Very low	51.2	Low	66 Å²	66	117.6 Å²	117.6	68%	0.68	67%	0.666	S	S	*	*			trans	-55.8	107.1	167.6	0	0	0	0	0	107.6	V21 S25	V21-G23 PolarHBondContact O-N 3.43Å; V21-G23 VanDerWaalsContact O-N 3.08Å; G23-S25 PolarHBondContact O-N 2.99Å
24	L	41.3	Very low	53.8	Low	166 Å²	166	109 Å²	109	87%	0.869	64%	0.643	S	S	*	*			trans	-61.3	97.1	160.3	-79.8	155.8	0	0	0	105	M22 T26	M22-L24 PolarHBondContact O-N 3.4Å; L24-T26 VanDerWaalsContact C-N 3.28Å; L24-T26 PolarHBondContact O-N 3.08Å
25	S	44.3	Very low	56.4	Low	109 Å²	109	99.3 Å²	99.3	76%	0.762	60%	0.6	S	S	*	*			trans	-57.2	101.7	159.5	46.4	0	0	0	0	105.7	G23	G23-S25 PolarHBondContact O-N 2.99Å
26	T	45.3	Very low	59.1	Low	115 Å²	115	97.4 Å²	97.4	71%	0.706	58%	0.578	S	S	*	*	P	Polyproline II helix	trans	-53.9	125	163.7	42.5	0	0	0	0	105.9	L24 G28	L24-T26 VanDerWaalsContact C-N 3.28Å; L24-T26 PolarHBondContact O-N 3.08Å; T26-G28 PolarHBondContact O-N 3.29Å
27	P	46.7	Very low	61.6	Low	125 Å²	125	96 Å²	96	81%	0.812	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-51.8	118.2	169.9	20.7	-29.1	0	0	0	106.2
28	G	46.5	Very low	64.2	Low	45 Å²	45	94.8 Å²	94.8	46%	0.464	56%	0.559	S	S	.	*	P	Polyproline II helix	trans	-54.5	142.2	-159.7	0	0	0	0	0	110.7	T26 R77	T26-G28 PolarHBondContact O-N 3.29Å; G28-R77 PolarHBondContact O-NH1 3.04Å; G28-R77 PolarHBondContact O-NH2 3.1Å
29	Q	51	Low	66.6	Low	138 Å²	138	89.5 Å²	89.5	65%	0.645	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-62.6	145.7	169.7	-167.7	165.7	-1.2	0	0	109.4	E31 E70 R77	Q29-E31 PolarHBondContact O-N 2.8Å; Q29-E31 VanDerWaalsContact O-N 3.15Å; Q29-E70 PolarHBondContact NE2-OE1 3.09Å; Q29-R77 VanDerWaalsContact C-NH2 3.26Å; Q29-R77 PolarHBondContact O-NH1 3.28Å
30	A	56.6	Low	69.3	Low	5 Å²	5	82.9 Å²	82.9	4%	0.041	50%	0.498	C	S	.	.			trans	-71.1	111.5	179.4	0	0	0	0	0	106.9	I32 S73 N74 R77	A30-I32 PolarHBondContact O-N 3.12Å; A30-I32 VanDerWaalsContact O-N 3.11Å; A30-S73 VanDerWaalsContact CB-OG 3.27Å; A30-S73 WeakPolarHBondContact CB-OG 3.4Å; A30-N74 WeakPolarHBondContact CA-OD1 3.21Å; A30-N74 WeakPolarHBondContact CB-OD1 3.32Å; A30-N74 PolarHBondContact N-OD1 2.95Å; A30-R77 VanDerWaalsContact CB-CZ 3.46Å
31	E	77.8	Confident	71.8	Confident	177 Å²	177	79.7 Å²	79.7	83%	0.827	48%	0.481	S	S	*	.			trans	-74.7	103.8	174.4	-168.8	171.5	-175.7	0	0	107.5	Q29 V33	Q29-E31 PolarHBondContact O-N 2.8Å; Q29-E31 VanDerWaalsContact O-N 3.15Å; E31-V33 PolarHBondContact O-N 3.33Å
32	I	94.2	Very high	74.4	Confident	30 Å²	30	79 Å²	79	15%	0.154	47%	0.474	C	S	.	.	P	Polyproline II helix	trans	-63.8	116.7	168	-64.4	165.5	0	0	0	107.1	A30 S34 F69 E70 R90	A30-I32 PolarHBondContact O-N 3.12Å; A30-I32 VanDerWaalsContact O-N 3.11Å; I32-S34 PolarHBondContact O-N 3.27Å; I32-F69 HydrophobicContact CD1-CD1 3.79Å; I32-F69 HydrophobicContact CD1-CE1 4.43Å; I32-F69 HydrophobicContact CG1-CD1 4.36Å; I32-F69 HydrophobicContact CG2-CD1 4.46Å; I32-F69 HydrophobicContact CG2-CE1 4.14Å; I32-E70 HydrophobicContact CD1-CB 3.76Å; I32-E70 HydrophobicContact CD1-CG 4.12Å; I32-R90 HydrophobicContact CG2-CB 4Å; I32-R90 HydrophobicContact CG2-CG 3.83Å
33	V	95.9	Very high	76.7	Confident	47 Å²	47	73.5 Å²	73.5	29%	0.285	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	123.6	-177.8	-173.4	0	0	0	0	109.3	E31 L35 V43 V87 F88 A89 R90	E31-V33 PolarHBondContact O-N 3.33Å; V33-L35 HydrophobicContact CG1-CD2 3.9Å; V33-V43 HydrophobicContact CG1-CG1 4.33Å; V33-V43 HydrophobicContact CG1-CG2 4.2Å; V33-V87 HydrophobicContact CG2-CG1 4.18Å; V33-F88 PolarHBondContact N-O 3.2Å; V33-A89 HydrophobicContact CB-CB 4.17Å; V33-A89 CarbonylContact O-C 3.49Å; V33-A89 WeakPolarHBondContact O-CA 3.48Å; V33-A89 WeakPolarHBondContact O-CB 3.33Å; V33-R90 PolarHBondContact O-N 3.42Å
34	S	97.5	Very high	79.3	Confident	59 Å²	59	70.5 Å²	70.5	41%	0.413	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	116.5	173	-54.4	0	0	0	0	108.4	I32 N39 R90	I32-S34 PolarHBondContact O-N 3.27Å; S34-N39 PolarHBondContact O-ND2 3Å; S34-N39 VanDerWaalsContact O-ND2 3.09Å; S34-R90 PolarHBondContact OG-NE 2.84Å; S34-R90 PolarHBondContact OG-NH2 2.89Å; S34-R90 VanDerWaalsContact OG-NH2 3.14Å
35	L	98	Very high	81.8	Confident	3 Å²	3	66.9 Å²	66.9	2%	0.016	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-92.4	136.3	-174.8	-58.8	175.4	0	0	0	111	V33 N39 I40 V43 L44 V52 A89 R90 V91	V33-L35 HydrophobicContact CG1-CD2 3.9Å; L35-N39 VanDerWaalsContact CA-OD1 3.28Å; L35-N39 WeakPolarHBondContact CA-OD1 3.39Å; L35-I40 HydrophobicContact CB-CB 4.38Å; L35-I40 HydrophobicContact CB-CD1 4.32Å; L35-I40 HydrophobicContact CB-CG1 4.39Å; L35-I40 HydrophobicContact CD1-CD1 4.22Å; L35-I40 HydrophobicContact CD1-CG1 4.16Å; L35-V43 HydrophobicContact CD2-CB 3.8Å; L35-V43 HydrophobicContact CD2-CG1 3.77Å; L35-V43 HydrophobicContact CD2-CG2 4.03Å; L35-L44 HydrophobicContact CD1-CD2 4.33Å; L35-V52 HydrophobicContact CD1-CG1 3.87Å; L35-V52 HydrophobicContact CD1-CG2 4.16Å; L35-A89 HydrophobicContact CD1-CB 3.59Å; L35-A89 HydrophobicContact CD2-CB 4.14Å; L35-A89 HydrophobicContact CG-CB 3.77Å; L35-R90 PolarHBondContact N-O 2.86Å; L35-V91 HydrophobicContact CB-CG2 3.83Å; L35-V91 HydrophobicContact CD1-CG2 4.08Å; L35-V91 HydrophobicContact CG-CG2 4.48Å
36	D	97.6	Very high	84.2	Confident	49 Å²	49	66.1 Å²	66.1	26%	0.262	39%	0.386	S	S	.	.			trans	-136.6	175.9	174.4	63.1	46.6	0	0	0	110	S38 N39 I40 H96	D36-S38 PolarHBondContact O-N 3.49Å; D36-S38 VanDerWaalsContact O-N 3.07Å; D36-S38 VanDerWaalsContact OD1-CA 3.32Å; D36-S38 WeakPolarHBondContact OD1-CA 2.85Å; D36-S38 VanDerWaalsContact OD1-CB 3.26Å; D36-S38 WeakPolarHBondContact OD1-CB 3.28Å; D36-S38 PolarHBondContact OD1-N 3.22Å; D36-S38 PolarHBondContact OD1-OG 3.04Å; D36-N39 PolarHBondContact N-OD1 2.92Å; D36-N39 PolarHBondContact O-N 3.04Å; D36-N39 PolarHBondContact O-OD1 3.03Å; D36-N39 PolarHBondContact OD1-N 3.13Å; D36-N39 VanDerWaalsContact OD1-N 3.15Å; D36-I40 VanDerWaalsContact O-CB 3.29Å; D36-I40 WeakPolarHBondContact O-CB 3.17Å; D36-I40 WeakPolarHBondContact O-CG2 3.13Å; D36-I40 PolarHBondContact O-N 3.08Å; D36-H96 WeakPolarHBondContact CB-CE1 3.26Å
37	S	95.8	Very high	86.5	Confident	64 Å²	64	60.7 Å²	60.7	45%	0.448	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-13	-175.6	-39.6	0	0	0	0	113.3	D98	S37-D98 PolarHBondContact OG-OD2 3.25Å
38	S	97.1	Very high	88.6	Confident	99 Å²	99	56 Å²	56	69%	0.692	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-25	178.6	78.4	0	0	0	0	113.7	D36	D36-S38 PolarHBondContact O-N 3.49Å; D36-S38 VanDerWaalsContact O-N 3.07Å; D36-S38 VanDerWaalsContact OD1-CA 3.32Å; D36-S38 WeakPolarHBondContact OD1-CA 2.85Å; D36-S38 VanDerWaalsContact OD1-CB 3.26Å; D36-S38 WeakPolarHBondContact OD1-CB 3.28Å; D36-S38 PolarHBondContact OD1-N 3.22Å; D36-S38 PolarHBondContact OD1-OG 3.04Å
39	N	97.3	Very high	90.8	Very high	39 Å²	39	54 Å²	54	21%	0.209	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119	-16.9	-173.5	72.3	19.6	0	0	0	114.7	S34 L35 D36 D41 D42 V43	S34-N39 PolarHBondContact O-ND2 3Å; S34-N39 VanDerWaalsContact O-ND2 3.09Å; L35-N39 VanDerWaalsContact CA-OD1 3.28Å; L35-N39 WeakPolarHBondContact CA-OD1 3.39Å; D36-N39 PolarHBondContact N-OD1 2.92Å; D36-N39 PolarHBondContact O-N 3.04Å; D36-N39 PolarHBondContact O-OD1 3.03Å; D36-N39 PolarHBondContact OD1-N 3.13Å; D36-N39 VanDerWaalsContact OD1-N 3.15Å; N39-D41 PolarHBondContact O-N 3.46Å; N39-D42 PolarHBondContact O-N 3.03Å; N39-V43 HydrophobicContact CB-CG2 4.35Å; N39-V43 WeakPolarHBondContact O-CG2 3.44Å; N39-V43 PolarHBondContact O-N 3.18Å
40	I	97.6	Very high	93	Very high	3 Å²	3	47.4 Å²	47.4	2%	0.015	28%	0.275	C	S	.	.	H	α-helix	trans	-60.9	-45.2	-166.9	-174.7	159.9	0	0	0	113.4	L35 D36 L44 V91 I99 Y103	L35-I40 HydrophobicContact CB-CB 4.38Å; L35-I40 HydrophobicContact CB-CD1 4.32Å; L35-I40 HydrophobicContact CB-CG1 4.39Å; L35-I40 HydrophobicContact CD1-CD1 4.22Å; L35-I40 HydrophobicContact CD1-CG1 4.16Å; D36-I40 VanDerWaalsContact O-CB 3.29Å; D36-I40 WeakPolarHBondContact O-CB 3.17Å; D36-I40 WeakPolarHBondContact O-CG2 3.13Å; D36-I40 PolarHBondContact O-N 3.08Å; I40-L44 HydrophobicContact CD1-CD1 4.19Å; I40-L44 HydrophobicContact CG1-CD1 3.59Å; I40-L44 HydrophobicContact CG1-CG 4.13Å; I40-L44 WeakPolarHBondContact O-CB 3.48Å; I40-L44 WeakPolarHBondContact O-CG 3.46Å; I40-L44 PolarHBondContact O-N 2.9Å; I40-V91 HydrophobicContact CD1-CG2 4.49Å; I40-I99 HydrophobicContact CD1-CD1 4.06Å; I40-I99 HydrophobicContact CD1-CG1 4.5Å; I40-I99 HydrophobicContact CD1-CG2 3.5Å; I40-I99 HydrophobicContact CG2-CD1 4.43Å; I40-Y103 HydrophobicContact CD1-CE2 3.71Å
41	D	96	Very high	95	Very high	62 Å²	62	47.1 Å²	47.1	33%	0.332	27%	0.273	S	S	.	.	H	α-helix	trans	-65.9	-42.8	-178.7	-67.7	-55.1	0	0	0	110.4	N39 N45 R102	N39-D41 PolarHBondContact O-N 3.46Å; D41-N45 WeakPolarHBondContact O-CB 3.42Å; D41-N45 PolarHBondContact O-N 3.47Å; D41-N45 PolarHBondContact O-ND2 2.86Å; D41-R102 IonicContact OD1-CZ 3.83Å; D41-R102 VanDerWaalsContact OD1-CZ 3.31Å; D41-R102 IonicContact OD1-NH1 3.31Å; D41-R102 PolarHBondContact OD1-NH1 2.79Å; D41-R102 IonicContact OD1-NH2 3.84Å; D41-R102 PolarHBondContact OD1-NH2 3.15Å; D41-R102 IonicContact OD2-NH1 2.8Å; D41-R102 PolarHBondContact OD2-NH1 2.56Å
42	D	96.6	Very high	96	Very high	107 Å²	107	38.7 Å²	38.7	57%	0.572	23%	0.233	S	C	*	.	H	α-helix	trans	-65.3	-45.4	178.8	-73.8	-19.5	0	0	0	112.3	N39 N46	N39-D42 PolarHBondContact O-N 3.03Å; D42-N46 WeakPolarHBondContact O-CB 3.44Å; D42-N46 PolarHBondContact O-N 3.07Å; D42-N46 PolarHBondContact O-ND2 3.14Å
43	V	96.1	Very high	96.2	Very high	36 Å²	36	37.4 Å²	37.4	22%	0.218	23%	0.227	C	C	.	.	H	α-helix	trans	-63.9	-47.3	180	173.8	0	0	0	0	110.4	V33 L35 N39 A47 V87	V33-V43 HydrophobicContact CG1-CG1 4.33Å; V33-V43 HydrophobicContact CG1-CG2 4.2Å; L35-V43 HydrophobicContact CD2-CB 3.8Å; L35-V43 HydrophobicContact CD2-CG1 3.77Å; L35-V43 HydrophobicContact CD2-CG2 4.03Å; N39-V43 HydrophobicContact CB-CG2 4.35Å; N39-V43 WeakPolarHBondContact O-CG2 3.44Å; N39-V43 PolarHBondContact O-N 3.18Å; V43-A47 WeakPolarHBondContact O-CB 3.14Å; V43-A47 PolarHBondContact O-N 2.81Å; V43-V87 HydrophobicContact CG1-CG1 4.02Å
44	L	96.3	Very high	96.3	Very high	3 Å²	3	35.1 Å²	35.1	2%	0.016	21%	0.213	C	C	.	.	H	α-helix	trans	-69.9	-41	-177.1	-63.5	179.6	0	0	0	112	L35 I40 N46 A47 A50 V52 F114 G117	L35-L44 HydrophobicContact CD1-CD2 4.33Å; I40-L44 HydrophobicContact CD1-CD1 4.19Å; I40-L44 HydrophobicContact CG1-CD1 3.59Å; I40-L44 HydrophobicContact CG1-CG 4.13Å; I40-L44 WeakPolarHBondContact O-CB 3.48Å; I40-L44 WeakPolarHBondContact O-CG 3.46Å; I40-L44 PolarHBondContact O-N 2.9Å; L44-N46 VanDerWaalsContact C-N 3.28Å; L44-N46 PolarHBondContact O-N 3.37Å; L44-A47 PolarHBondContact O-N 2.81Å; L44-A50 HydrophobicContact CD2-CB 3.78Å; L44-V52 HydrophobicContact CD2-CG2 3.78Å; L44-F114 HydrophobicContact CD1-CD1 3.86Å; L44-F114 HydrophobicContact CD1-CE1 3.79Å; L44-F114 HydrophobicContact CD1-CG 4.26Å; L44-F114 HydrophobicContact CD1-CZ 4.15Å; L44-F114 HydrophobicContact CD2-CB 4.24Å; L44-F114 HydrophobicContact CD2-CD1 4.44Å; L44-F114 HydrophobicContact CD2-CD2 4.15Å; L44-F114 HydrophobicContact CD2-CG 4.04Å; L44-G117 WeakPolarHBondContact O-CA 3.2Å; L44-G117 PolarHBondContact O-N 3.12Å
45	N	94	Very high	96.4	Very high	89 Å²	89	32.9 Å²	32.9	48%	0.476	20%	0.196	S	C	.	.	H	α-helix	trans	-64.6	-32	179.5	-72.9	-27.4	0	0	0	112.8	D41 G117	D41-N45 WeakPolarHBondContact O-CB 3.42Å; D41-N45 PolarHBondContact O-N 3.47Å; D41-N45 PolarHBondContact O-ND2 2.86Å; N45-G117 WeakPolarHBondContact OD1-CA 3.25Å
46	N	94.1	Very high	96.4	Very high	93 Å²	93	32.8 Å²	32.8	50%	0.497	20%	0.195	S	C	.	.	H	α-helix	trans	-90.2	-5.6	-179.7	-71.6	-63.5	0	0	0	114.1	D42 L44	D42-N46 WeakPolarHBondContact O-CB 3.44Å; D42-N46 PolarHBondContact O-N 3.07Å; D42-N46 PolarHBondContact O-ND2 3.14Å; L44-N46 VanDerWaalsContact C-N 3.28Å; L44-N46 PolarHBondContact O-N 3.37Å
47	A	93.3	Very high	96.3	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.008	21%	0.205	C	C	.	.			trans	-91.3	123.5	178.6	0	0	0	0	0	111.1	V43 L44 V49 A50 K84 V87 N116	V43-A47 WeakPolarHBondContact O-CB 3.14Å; V43-A47 PolarHBondContact O-N 2.81Å; L44-A47 PolarHBondContact O-N 2.81Å; A47-V49 VanDerWaalsContact C-N 3.34Å; A47-V49 PolarHBondContact O-N 3.25Å; A47-A50 HydrophobicContact CB-CB 3.82Å; A47-K84 CarbonylContact C-O 3.5Å; A47-K84 WeakPolarHBondContact CA-O 3.34Å; A47-V87 HydrophobicContact CB-CB 3.98Å; A47-V87 HydrophobicContact CB-CG2 3.59Å; A47-N116 WeakPolarHBondContact O-CA 3.28Å; A47-N116 PolarHBondContact O-N 2.72Å; A47-N116 PolarHBondContact O-OD1 2.94Å
48	G	91.1	Very high	96.3	Very high	27 Å²	27	38.4 Å²	38.4	28%	0.278	21%	0.209	S	C	.	.	S	Bend	trans	-56.7	-50.5	171.4	0	0	0	0	0	110.9	K84 R115 N116	G48-K84 PolarHBondContact N-O 2.9Å; G48-R115 WeakPolarHBondContact O-CA 3.29Å; G48-N116 WeakPolarHBondContact CA-OD1 3.35Å
49	V	94.3	Very high	96.3	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.012	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	132.3	166.3	174.1	0	0	0	0	109.1	A47 Q85 V86 V87 L113 F114 R115 I137	A47-V49 VanDerWaalsContact C-N 3.34Å; A47-V49 PolarHBondContact O-N 3.25Å; V49-Q85 PolarHBondContact N-O 3.2Å; V49-V86 CarbonylContact O-C 3.47Å; V49-V86 WeakPolarHBondContact O-CA 3.14Å; V49-V87 PolarHBondContact O-N 3.15Å; V49-L113 HydrophobicContact CG1-CD1 3.45Å; V49-L113 VanDerWaalsContact CG1-CD1 3.45Å; V49-L113 HydrophobicContact CG1-CG 4.2Å; V49-F114 CarbonylContact C-O 3.53Å; V49-F114 WeakPolarHBondContact CA-O 3.33Å; V49-R115 HydrophobicContact CG2-CG 4.19Å; V49-I137 HydrophobicContact CG1-CD1 4.45Å
50	A	96.9	Very high	96.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	128.4	169.1	0	0	0	0	0	111.4	L44 A47 V87 L113 F114	L44-A50 HydrophobicContact CD2-CB 3.78Å; A47-A50 HydrophobicContact CB-CB 3.82Å; A50-V87 CarbonylContact C-O 3.58Å; A50-V87 VanDerWaalsContact CA-O 3.23Å; A50-V87 WeakPolarHBondContact CA-O 3.37Å; A50-V87 HydrophobicContact CB-CB 4.05Å; A50-L113 CarbonylContact O-C 3.54Å; A50-L113 WeakPolarHBondContact O-CA 3.26Å; A50-F114 HydrophobicContact CB-CB 4.21Å; A50-F114 PolarHBondContact N-O 3.22Å; A50-F114 PolarHBondContact O-N 2.92Å
51	L	98.2	Very high	96.3	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	117.9	169.3	-176.5	62.7	0	0	0	108.7	F69 V87 F88 A89 L111 L113 I133 F136 I137	L51-F69 HydrophobicContact CD2-CE2 3.72Å; L51-F69 HydrophobicContact CD2-CZ 4.43Å; L51-F69 HydrophobicContact CG-CE2 3.88Å; L51-F69 HydrophobicContact CG-CZ 4.21Å; L51-V87 PolarHBondContact N-O 3.24Å; L51-F88 HydrophobicContact CD2-CE1 4.02Å; L51-F88 HydrophobicContact CD2-CZ 4.17Å; L51-A89 PolarHBondContact O-N 2.81Å; L51-L111 HydrophobicContact CD1-CB 4.3Å; L51-L111 HydrophobicContact CG-CD2 4.43Å; L51-L113 HydrophobicContact CB-CD1 4.38Å; L51-L113 HydrophobicContact CD1-CD1 4.29Å; L51-I133 HydrophobicContact CD2-CG2 3.8Å; L51-F136 HydrophobicContact CD1-CE1 4.22Å; L51-I137 HydrophobicContact CB-CD1 3.99Å; L51-I137 HydrophobicContact CD2-CD1 4.05Å; L51-I137 HydrophobicContact CD2-CG1 4.5Å
52	V	98.6	Very high	96.4	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	122.4	-173.5	-172.7	0	0	0	0	110.3	L35 L44 F54 A89 V91 L111 K112 F114	L35-V52 HydrophobicContact CD1-CG1 3.87Å; L35-V52 HydrophobicContact CD1-CG2 4.16Å; L44-V52 HydrophobicContact CD2-CG2 3.78Å; V52-F54 HydrophobicContact CB-CD2 4.42Å; V52-F54 HydrophobicContact CB-CE2 3.82Å; V52-F54 HydrophobicContact CB-CZ 4.39Å; V52-F54 HydrophobicContact CG1-CD2 4.06Å; V52-F54 HydrophobicContact CG1-CE1 4.48Å; V52-F54 HydrophobicContact CG1-CE2 3.58Å; V52-F54 HydrophobicContact CG1-CZ 3.83Å; V52-A89 CarbonylContact C-O 3.58Å; V52-A89 WeakPolarHBondContact CA-O 3.41Å; V52-A89 HydrophobicContact CG2-CB 4.31Å; V52-V91 HydrophobicContact CG1-CG2 3.84Å; V52-L111 WeakPolarHBondContact O-CA 3.5Å; V52-K112 PolarHBondContact N-O 3.47Å; V52-K112 PolarHBondContact O-N 2.93Å; V52-F114 HydrophobicContact CB-CD2 4.3Å; V52-F114 HydrophobicContact CB-CE2 3.93Å; V52-F114 HydrophobicContact CG2-CD2 3.52Å; V52-F114 HydrophobicContact CG2-CE2 3.53Å
53	N	98.6	Very high	96.5	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.011	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	107.5	172.6	178.8	23.2	0	0	0	111	F69 A89 R90 V91 P109 L111	N53-F69 HydrophobicContact CB-CD1 4.27Å; N53-F69 HydrophobicContact CB-CE1 3.93Å; N53-F69 HydrophobicContact CB-CE2 4.29Å; N53-F69 HydrophobicContact CB-CZ 3.94Å; N53-A89 PolarHBondContact N-O 3.14Å; N53-R90 HydrophobicContact CB-CB 4.34Å; N53-R90 CarbonylContact O-C 3.45Å; N53-R90 VanDerWaalsContact O-CA 3.23Å; N53-R90 WeakPolarHBondContact O-CA 3.29Å; N53-V91 PolarHBondContact O-N 2.82Å; N53-P109 WeakPolarHBondContact OD1-CB 3.38Å; N53-L111 HydrophobicContact CB-CD2 3.76Å
54	F	98.6	Very high	96.6	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	114.3	170.8	-65.2	-93.8	0	0	0	109.1	V52 V91 I99 Y103 I105 P109 T110 K112 F114	V52-F54 HydrophobicContact CB-CD2 4.42Å; V52-F54 HydrophobicContact CB-CE2 3.82Å; V52-F54 HydrophobicContact CB-CZ 4.39Å; V52-F54 HydrophobicContact CG1-CD2 4.06Å; V52-F54 HydrophobicContact CG1-CE1 4.48Å; V52-F54 HydrophobicContact CG1-CE2 3.58Å; V52-F54 HydrophobicContact CG1-CZ 3.83Å; F54-V91 HydrophobicContact CD1-CB 3.75Å; F54-V91 HydrophobicContact CD1-CG1 4.07Å; F54-V91 HydrophobicContact CD1-CG2 4.03Å; F54-V91 HydrophobicContact CE1-CB 4.02Å; F54-V91 HydrophobicContact CE1-CG1 4.29Å; F54-V91 HydrophobicContact CE1-CG2 3.78Å; F54-V91 HydrophobicContact CG-CB 4.47Å; F54-V91 HydrophobicContact CZ-CG2 4.35Å; F54-I99 HydrophobicContact CE1-CG2 4.11Å; F54-Y103 AromaticContact CE1-CD2 3.77Å; F54-Y103 HydrophobicContact CE1-CD2 3.77Å; F54-Y103 HydrophobicContact CE1-CG 4.27Å; F54-Y103 AromaticContact CZ-CD2 3.71Å; F54-Y103 HydrophobicContact CZ-CD2 3.71Å; F54-Y103 HydrophobicContact CZ-CE2 4.43Å; F54-Y103 AromaticContact CZ-CG 3.96Å; F54-Y103 HydrophobicContact CZ-CG 3.96Å; F54-I105 HydrophobicContact CB-CD1 3.87Å; F54-I105 HydrophobicContact CB-CG1 4Å; F54-I105 HydrophobicContact CB-CG2 4.14Å; F54-I105 HydrophobicContact CD1-CD1 3.66Å; F54-I105 HydrophobicContact CD1-CG1 3.55Å; F54-I105 HydrophobicContact CD2-CD1 3.7Å; F54-I105 HydrophobicContact CD2-CG1 4.48Å; F54-I105 HydrophobicContact CE1-CD1 4.06Å; F54-I105 HydrophobicContact CE1-CG1 4.1Å; F54-I105 HydrophobicContact CE2-CD1 4.12Å; F54-I105 HydrophobicContact CG-CD1 3.45Å; F54-I105 VanDerWaalsContact CG-CD1 3.45Å; F54-I105 HydrophobicContact CG-CG1 3.76Å; F54-I105 HydrophobicContact CZ-CD1 4.28Å; F54-P109 VanDerWaalsContact O-CA 3.32Å; F54-P109 WeakPolarHBondContact O-CA 3.48Å; F54-T110 PolarHBondContact N-O 2.84Å; F54-T110 PolarHBondContact O-N 2.85Å; F54-K112 HydrophobicContact CD2-CG 4.18Å; F54-K112 HydrophobicContact CE2-CB 3.96Å; F54-K112 HydrophobicContact CE2-CD 4Å; F54-K112 HydrophobicContact CE2-CG 3.89Å; F54-F114 HydrophobicContact CE2-CE2 4.34Å; F54-F114 HydrophobicContact CZ-CE2 4.48Å; F54-F114 HydrophobicContact CZ-CZ 4.4Å
55	Y	98.4	Very high	96.7	Very high	12 Å²	12	42.1 Å²	42.1	5%	0.047	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	170.8	-168.7	79.2	-78.7	0	0	0	112.6	D57 H66 R90 V91 D92 C93	Y55-D57 WeakPolarHBondContact CE2-OD1 3.32Å; Y55-H66 AromaticContact CD2-CE1 3.58Å; Y55-H66 AromaticContact CD2-NE2 3.25Å; Y55-H66 WeakPolarHBondContact CD2-NE2 3.46Å; Y55-H66 AromaticContact CE2-CE1 3.67Å; Y55-H66 AromaticContact CE2-NE2 3.71Å; Y55-H66 AromaticContact CG-NE2 3.68Å; Y55-R90 HydrophobicContact CD1-CB 4.06Å; Y55-R90 HydrophobicContact CE1-CB 3.78Å; Y55-R90 HydrophobicContact CE1-CG 3.89Å; Y55-R90 PolarHBondContact OH-NH1 3.08Å; Y55-R90 VanDerWaalsContact OH-NH1 3.17Å; Y55-V91 WeakPolarHBondContact CD1-O 3.35Å; Y55-V91 VanDerWaalsContact CE1-C 3.45Å; Y55-V91 WeakPolarHBondContact CE1-O 3.34Å; Y55-V91 PolarHBondContact N-O 2.97Å; Y55-D92 HydrophobicContact CE1-CB 4.08Å; Y55-C93 WeakPolarHBondContact O-CB 3.5Å; Y55-C93 PolarHBondContact O-N 2.76Å
56	A	97.4	Very high	96.8	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.188	C	C	.	.			trans	-137.4	144.1	167.2	0	0	0	0	0	109.2	W58 C59 Y108	A56-W58 VanDerWaalsContact C-N 3.29Å; A56-W58 HydrophobicContact CB-CD2 4.4Å; A56-W58 HydrophobicContact CB-CZ2 4.19Å; A56-W58 PolarHBondContact O-N 3.43Å; A56-C59 HydrophobicContact CB-CB 4.36Å; A56-C59 WeakPolarHBondContact O-CB 3.38Å; A56-C59 PolarHBondContact O-N 2.94Å; A56-C59 VanDerWaalsContact O-N 3.13Å; A56-Y108 HydrophobicContact CB-CD2 3.58Å; A56-Y108 HydrophobicContact CB-CE2 3.61Å; A56-Y108 HydrophobicContact CB-CG 4.25Å
57	D	96.5	Very high	97	Very high	89 Å²	89	39.5 Å²	39.5	48%	0.476	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-31.5	-173.1	-87.6	-22.2	0	0	0	113.1	Y55 C59 Q63	Y55-D57 WeakPolarHBondContact CE2-OD1 3.32Å; D57-C59 VanDerWaalsContact C-N 3.3Å; D57-Q63 PolarHBondContact O-NE2 3.46Å
58	W	95	Very high	97.2	Very high	142 Å²	142	41.5 Å²	41.5	54%	0.538	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-10.8	178.3	55.9	-94.6	0	0	0	113.3	A56 R60 D94 Y108 T400	A56-W58 VanDerWaalsContact C-N 3.29Å; A56-W58 HydrophobicContact CB-CD2 4.4Å; A56-W58 HydrophobicContact CB-CZ2 4.19Å; A56-W58 PolarHBondContact O-N 3.43Å; W58-R60 PolarHBondContact O-N 2.71Å; W58-D94 PolarHBondContact NE1-OD1 2.88Å; W58-D94 VanDerWaalsContact NE1-OD1 3.17Å; W58-D94 PolarHBondContact NE1-OD2 2.89Å; W58-Y108 HydrophobicContact CH2-CD2 4.42Å; W58-Y108 HydrophobicContact CZ2-CD2 4.22Å; W58-Y108 HydrophobicContact CZ2-CE2 4Å; W58-T400 HydrophobicContact CH2-CG2 3.34Å; W58-T400 HydrophobicContact CZ3-CG2 3.35Å
59	C	97.4	Very high	97.5	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.186	C	C	.	.			trans	-77	111.4	178.8	173.7	0	0	0	0	110.6	A56 D57 F61 S62 Q63 T400	A56-C59 HydrophobicContact CB-CB 4.36Å; A56-C59 WeakPolarHBondContact O-CB 3.38Å; A56-C59 PolarHBondContact O-N 2.94Å; A56-C59 VanDerWaalsContact O-N 3.13Å; D57-C59 VanDerWaalsContact C-N 3.3Å; C59-F61 PolarHBondContact O-N 3.03Å; C59-S62 WeakPolarHBondContact O-CB 3.29Å; C59-S62 PolarHBondContact O-N 2.95Å; C59-S62 PolarHBondContact SG-N 3.42Å; C59-S62 VanDerWaalsContact SG-N 3.37Å; C59-S62 PolarHBondContact SG-OG 3.09Å; C59-S62 VanDerWaalsContact SG-OG 3.39Å; C59-Q63 WeakPolarHBondContact O-CG 3.24Å; C59-Q63 PolarHBondContact O-N 3.34Å; C59-T400 PolarHBondContact SG-OG1 3.36Å
60	R	97.6	Very high	97.7	Very high	177 Å²	177	43.3 Å²	43.3	67%	0.668	20%	0.2	S	C	*	.	H	α-helix	trans	-53	-39.9	176.4	178.8	-179.5	169.8	177.4	-1.4	112.6	W58 S62 Q63 M64	W58-R60 PolarHBondContact O-N 2.71Å; R60-S62 VanDerWaalsContact C-N 3.35Å; R60-Q63 PolarHBondContact O-N 3.32Å; R60-M64 HydrophobicContact CG-SD 4.25Å; R60-M64 VanDerWaalsContact O-CG 3.31Å; R60-M64 WeakPolarHBondContact O-CG 3.23Å; R60-M64 PolarHBondContact O-N 2.78Å
61	F	98.1	Very high	97.7	Very high	39 Å²	39	48.5 Å²	48.5	17%	0.171	22%	0.224	C	C	.	.	H	α-helix	trans	-70.8	-31.7	-179.2	-59.1	-67.4	0	0	0	112.8	C59 L65 E396 T397 R398 Y399	C59-F61 PolarHBondContact O-N 3.03Å; F61-L65 WeakPolarHBondContact O-CB 3.4Å; F61-L65 PolarHBondContact O-N 3.05Å; F61-L65 VanDerWaalsContact O-N 3.15Å; F61-E396 WeakPolarHBondContact CE2-O 3.28Å; F61-E396 WeakPolarHBondContact CZ-O 3.48Å; F61-T397 WeakPolarHBondContact CE1-O 3.3Å; F61-T397 VanDerWaalsContact CZ-O 3.23Å; F61-T397 WeakPolarHBondContact CZ-O 3.34Å; F61-R398 VanDerWaalsContact CG-O 3.31Å; F61-R398 WeakPolarHBondContact CG-O 3.43Å; F61-Y399 VanDerWaalsContact CE2-C 3.5Å; F61-Y399 WeakPolarHBondContact CE2-O 3.4Å
62	S	98.1	Very high	97.6	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-67.4	-48.1	172.4	-68.8	0	0	0	0	110.6	C59 R60 M64 L65 H66	C59-S62 WeakPolarHBondContact O-CB 3.29Å; C59-S62 PolarHBondContact O-N 2.95Å; C59-S62 PolarHBondContact SG-N 3.42Å; C59-S62 VanDerWaalsContact SG-N 3.37Å; C59-S62 PolarHBondContact SG-OG 3.09Å; C59-S62 VanDerWaalsContact SG-OG 3.39Å; R60-S62 VanDerWaalsContact C-N 3.35Å; S62-M64 VanDerWaalsContact C-N 3.26Å; S62-M64 PolarHBondContact O-N 3.31Å; S62-L65 WeakPolarHBondContact O-CA 3.3Å; S62-L65 PolarHBondContact O-N 2.75Å; S62-H66 PolarHBondContact O-CD2 3.33Å; S62-H66 PolarHBondContact O-N 3.44Å; S62-H66 PolarHBondContact O-NE2 2.92Å
63	Q	98.1	Very high	97.5	Very high	102 Å²	102	49 Å²	49	48%	0.477	23%	0.227	S	C	.	.	H	α-helix	trans	-55.1	-42.2	175.6	-64.7	168.6	5.5	0	0	112.1	D57 C59 R60 L65 P67	D57-Q63 PolarHBondContact O-NE2 3.46Å; C59-Q63 WeakPolarHBondContact O-CG 3.24Å; C59-Q63 PolarHBondContact O-N 3.34Å; R60-Q63 PolarHBondContact O-N 3.32Å; Q63-L65 VanDerWaalsContact C-N 3.33Å; Q63-L65 PolarHBondContact O-N 3.46Å; Q63-P67 WeakPolarHBondContact O-CD 3.08Å
64	M	98	Very high	97.4	Very high	108 Å²	108	50.7 Å²	50.7	53%	0.532	24%	0.236	S	C	.	.	H	α-helix	trans	-66.5	-32.6	175.9	-71.4	175.4	63.9	0	0	113.1	R60 S62	R60-M64 HydrophobicContact CG-SD 4.25Å; R60-M64 VanDerWaalsContact O-CG 3.31Å; R60-M64 WeakPolarHBondContact O-CG 3.23Å; R60-M64 PolarHBondContact O-N 2.78Å; S62-M64 VanDerWaalsContact C-N 3.26Å; S62-M64 PolarHBondContact O-N 3.31Å
65	L	98.3	Very high	97.2	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-77.8	-30.3	179.9	177.7	62.2	0	0	0	112.5	F61 S62 Q63 I68 F69 P109 L111 R128 I133	F61-L65 WeakPolarHBondContact O-CB 3.4Å; F61-L65 PolarHBondContact O-N 3.05Å; F61-L65 VanDerWaalsContact O-N 3.15Å; S62-L65 WeakPolarHBondContact O-CA 3.3Å; S62-L65 PolarHBondContact O-N 2.75Å; Q63-L65 VanDerWaalsContact C-N 3.33Å; Q63-L65 PolarHBondContact O-N 3.46Å; L65-I68 HydrophobicContact CD1-CB 4.41Å; L65-I68 WeakPolarHBondContact O-CB 3.15Å; L65-I68 PolarHBondContact O-N 3.08Å; L65-I68 VanDerWaalsContact O-N 3.09Å; L65-F69 HydrophobicContact CD1-CB 4.39Å; L65-F69 HydrophobicContact CG-CB 4.29Å; L65-F69 WeakPolarHBondContact O-CB 3.44Å; L65-F69 PolarHBondContact O-N 2.89Å; L65-P109 HydrophobicContact CB-CG 4.3Å; L65-P109 HydrophobicContact CD2-CB 3.64Å; L65-P109 HydrophobicContact CD2-CG 3.58Å; L65-L111 HydrophobicContact CD2-CD1 3.99Å; L65-L111 HydrophobicContact CD2-CD2 4.26Å; L65-L111 HydrophobicContact CD2-CG 4.21Å; L65-R128 HydrophobicContact CD1-CB 4.13Å; L65-R128 HydrophobicContact CD1-CG 4.14Å; L65-I133 HydrophobicContact CD1-CD1 4.04Å
66	H	97.3	Very high	97	Very high	48 Å²	48	52.6 Å²	52.6	22%	0.222	25%	0.247	C	C	.	.	H	α-helix	trans	-48.1	-57	-176.1	-70.2	178	0	0	0	114.5	Y55 S62 I68 F69 E70	Y55-H66 AromaticContact CD2-CE1 3.58Å; Y55-H66 AromaticContact CD2-NE2 3.25Å; Y55-H66 WeakPolarHBondContact CD2-NE2 3.46Å; Y55-H66 AromaticContact CE2-CE1 3.67Å; Y55-H66 AromaticContact CE2-NE2 3.71Å; Y55-H66 AromaticContact CG-NE2 3.68Å; S62-H66 PolarHBondContact O-CD2 3.33Å; S62-H66 PolarHBondContact O-N 3.44Å; S62-H66 PolarHBondContact O-NE2 2.92Å; H66-I68 VanDerWaalsContact C-N 3.28Å; H66-I68 PolarHBondContact O-N 2.8Å; H66-F69 PolarHBondContact O-N 2.87Å; H66-E70 PolarHBondContact O-N 2.82Å
67	P	97.1	Very high	96.8	Very high	79 Å²	79	56.2 Å²	56.2	51%	0.513	26%	0.261	S	S	.	.	H	α-helix	trans	-64.7	-33.9	-179.1	25.1	-34.5	0	0	0	112.5	Q63 E71	Q63-P67 WeakPolarHBondContact O-CD 3.08Å; P67-E71 WeakPolarHBondContact O-CB 3.39Å; P67-E71 PolarHBondContact O-N 3.28Å
68	I	98.1	Very high	96.6	Very high	44 Å²	44	59.4 Å²	59.4	23%	0.226	27%	0.273	C	S	.	.	H	α-helix	trans	-68	-41.9	179.3	-56.8	179.2	0	0	0	110.5	L65 H66 A72 R128 S129 V130 I133	L65-I68 HydrophobicContact CD1-CB 4.41Å; L65-I68 WeakPolarHBondContact O-CB 3.15Å; L65-I68 PolarHBondContact O-N 3.08Å; L65-I68 VanDerWaalsContact O-N 3.09Å; H66-I68 VanDerWaalsContact C-N 3.28Å; H66-I68 PolarHBondContact O-N 2.8Å; I68-A72 VanDerWaalsContact O-CB 3.29Å; I68-A72 WeakPolarHBondContact O-CB 3.43Å; I68-A72 PolarHBondContact O-N 2.8Å; I68-R128 VanDerWaalsContact CD1-O 3.22Å; I68-R128 WeakPolarHBondContact CD1-O 3.34Å; I68-S129 VanDerWaalsContact CG2-C 3.49Å; I68-V130 HydrophobicContact CG2-CG2 3.93Å; I68-I133 HydrophobicContact CG2-CD1 4.15Å
69	F	98.1	Very high	96.6	Very high	2 Å²	2	56.6 Å²	56.6	1%	0.009	27%	0.265	C	S	.	.	H	α-helix	trans	-68.4	-38.8	179.9	-166	-107.6	0	0	0	111.6	I32 L51 N53 L65 H66 S73 F88 A89 L111 I133	I32-F69 HydrophobicContact CD1-CD1 3.79Å; I32-F69 HydrophobicContact CD1-CE1 4.43Å; I32-F69 HydrophobicContact CG1-CD1 4.36Å; I32-F69 HydrophobicContact CG2-CD1 4.46Å; I32-F69 HydrophobicContact CG2-CE1 4.14Å; L51-F69 HydrophobicContact CD2-CE2 3.72Å; L51-F69 HydrophobicContact CD2-CZ 4.43Å; L51-F69 HydrophobicContact CG-CE2 3.88Å; L51-F69 HydrophobicContact CG-CZ 4.21Å; N53-F69 HydrophobicContact CB-CD1 4.27Å; N53-F69 HydrophobicContact CB-CE1 3.93Å; N53-F69 HydrophobicContact CB-CE2 4.29Å; N53-F69 HydrophobicContact CB-CZ 3.94Å; L65-F69 HydrophobicContact CD1-CB 4.39Å; L65-F69 HydrophobicContact CG-CB 4.29Å; L65-F69 WeakPolarHBondContact O-CB 3.44Å; L65-F69 PolarHBondContact O-N 2.89Å; H66-F69 PolarHBondContact O-N 2.87Å; F69-S73 WeakPolarHBondContact O-CB 3.36Å; F69-S73 PolarHBondContact O-N 2.91Å; F69-F88 HydrophobicContact CD1-CD1 4.13Å; F69-F88 HydrophobicContact CD2-CD1 4.1Å; F69-F88 HydrophobicContact CD2-CE1 4.17Å; F69-F88 HydrophobicContact CE1-CB 4.13Å; F69-F88 AromaticContact CE1-CD1 3.69Å; F69-F88 HydrophobicContact CE1-CD1 3.69Å; F69-F88 HydrophobicContact CE1-CG 4.37Å; F69-F88 AromaticContact CE2-CD1 3.63Å; F69-F88 HydrophobicContact CE2-CD1 3.63Å; F69-F88 AromaticContact CE2-CE1 3.84Å; F69-F88 HydrophobicContact CE2-CE1 3.84Å; F69-F88 HydrophobicContact CG-CD1 4.32Å; F69-F88 HydrophobicContact CZ-CB 4.29Å; F69-F88 AromaticContact CZ-CD1 3.42Å; F69-F88 HydrophobicContact CZ-CD1 3.42Å; F69-F88 VanDerWaalsContact CZ-CD1 3.42Å; F69-F88 HydrophobicContact CZ-CE1 4.1Å; F69-F88 HydrophobicContact CZ-CG 4.18Å; F69-A89 WeakPolarHBondContact CE1-O 3.36Å; F69-L111 HydrophobicContact CD2-CD2 3.95Å; F69-L111 HydrophobicContact CE2-CD2 3.51Å; F69-L111 HydrophobicContact CZ-CD2 4.24Å; F69-I133 HydrophobicContact CD2-CD1 4.47Å
70	E	96.9	Very high	96.4	Very high	65 Å²	65	58.3 Å²	58.3	30%	0.304	27%	0.273	S	S	.	.	H	α-helix	trans	-66.1	-46.8	174.8	-170.8	175.8	-178.2	0	0	112.2	Q29 I32 H66 A72 S73 N74	Q29-E70 PolarHBondContact NE2-OE1 3.09Å; I32-E70 HydrophobicContact CD1-CB 3.76Å; I32-E70 HydrophobicContact CD1-CG 4.12Å; H66-E70 PolarHBondContact O-N 2.82Å; E70-A72 PolarHBondContact O-N 2.9Å; E70-S73 WeakPolarHBondContact O-CB 3.01Å; E70-S73 PolarHBondContact O-N 3.29Å; E70-N74 PolarHBondContact O-N 2.92Å; E70-N74 PolarHBondContact O-ND2 2.91Å; E70-N74 VanDerWaalsContact O-ND2 3.15Å
71	E	96.8	Very high	96	Very high	109 Å²	109	54.6 Å²	54.6	51%	0.509	27%	0.272	S	S	.	.	H	α-helix	trans	-64.6	-40.7	177.2	-169.3	176.7	174.6	0	0	112	P67 S73 N74 I75 V130	P67-E71 WeakPolarHBondContact O-CB 3.39Å; P67-E71 PolarHBondContact O-N 3.28Å; E71-S73 VanDerWaalsContact C-N 3.34Å; E71-S73 PolarHBondContact O-N 3.35Å; E71-N74 WeakPolarHBondContact O-CB 3.49Å; E71-N74 PolarHBondContact O-N 2.76Å; E71-I75 PolarHBondContact O-N 3.5Å; E71-I75 VanDerWaalsContact O-N 3.13Å; E71-V130 HydrophobicContact CB-CG1 4.36Å; E71-V130 HydrophobicContact CB-CG2 3.86Å; E71-V130 HydrophobicContact CG-CG1 3.98Å; E71-V130 HydrophobicContact CG-CG2 3.96Å
72	A	97.1	Very high	95.7	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-61.5	-41.5	173.6	0	0	0	0	0	112.1	I68 E70 N74 I75 V76 F88 V130 I133	I68-A72 VanDerWaalsContact O-CB 3.29Å; I68-A72 WeakPolarHBondContact O-CB 3.43Å; I68-A72 PolarHBondContact O-N 2.8Å; E70-A72 PolarHBondContact O-N 2.9Å; A72-N74 VanDerWaalsContact C-N 3.32Å; A72-N74 PolarHBondContact O-N 3.2Å; A72-I75 PolarHBondContact O-N 2.86Å; A72-V76 WeakPolarHBondContact O-CB 3.41Å; A72-V76 VanDerWaalsContact O-CG2 3.28Å; A72-V76 WeakPolarHBondContact O-CG2 3.38Å; A72-V76 PolarHBondContact O-N 3.21Å; A72-F88 HydrophobicContact CB-CE1 4.25Å; A72-V130 HydrophobicContact CB-CG1 4.38Å; A72-I133 HydrophobicContact CB-CB 3.92Å; A72-I133 HydrophobicContact CB-CG2 3.71Å
73	S	96.8	Very high	95	Very high	9 Å²	9	62 Å²	62	6%	0.063	32%	0.317	C	S	.	.	H	α-helix	trans	-60.3	-41.2	175.7	-176.9	0	0	0	0	112.1	A30 F69 E70 E71 R77 F88	A30-S73 VanDerWaalsContact CB-OG 3.27Å; A30-S73 WeakPolarHBondContact CB-OG 3.4Å; F69-S73 WeakPolarHBondContact O-CB 3.36Å; F69-S73 PolarHBondContact O-N 2.91Å; E70-S73 WeakPolarHBondContact O-CB 3.01Å; E70-S73 PolarHBondContact O-N 3.29Å; E71-S73 VanDerWaalsContact C-N 3.34Å; E71-S73 PolarHBondContact O-N 3.35Å; S73-R77 WeakPolarHBondContact O-CB 3.46Å; S73-R77 PolarHBondContact O-N 2.96Å; S73-F88 WeakPolarHBondContact OG-CB 3.35Å; S73-F88 WeakPolarHBondContact OG-CG 3.38Å
74	N	95.2	Very high	94.5	Very high	38 Å²	38	62.9 Å²	62.9	20%	0.203	32%	0.319	C	S	.	.	H	α-helix	trans	-60.5	-51.4	176.5	-72.8	-44.3	0	0	0	111.8	A30 E70 E71 A72 V76 R77 E78	A30-N74 WeakPolarHBondContact CA-OD1 3.21Å; A30-N74 WeakPolarHBondContact CB-OD1 3.32Å; A30-N74 PolarHBondContact N-OD1 2.95Å; E70-N74 PolarHBondContact O-N 2.92Å; E70-N74 PolarHBondContact O-ND2 2.91Å; E70-N74 VanDerWaalsContact O-ND2 3.15Å; E71-N74 WeakPolarHBondContact O-CB 3.49Å; E71-N74 PolarHBondContact O-N 2.76Å; A72-N74 VanDerWaalsContact C-N 3.32Å; A72-N74 PolarHBondContact O-N 3.2Å; N74-V76 PolarHBondContact O-N 3.39Å; N74-R77 PolarHBondContact O-N 2.78Å; N74-R77 PolarHBondContact OD1-NH2 3.38Å; N74-E78 PolarHBondContact O-N 3.47Å
75	I	94.8	Very high	94.3	Very high	51 Å²	51	61.1 Å²	61.1	26%	0.262	31%	0.31	S	S	.	.	H	α-helix	trans	-59.8	-47.9	179.4	-67.6	177.1	0	0	0	110.9	E71 A72 R77 E78 E79 V130 A134	E71-I75 PolarHBondContact O-N 3.5Å; E71-I75 VanDerWaalsContact O-N 3.13Å; A72-I75 PolarHBondContact O-N 2.86Å; I75-R77 VanDerWaalsContact C-N 3.3Å; I75-R77 PolarHBondContact O-N 3.29Å; I75-E78 WeakPolarHBondContact O-CB 3.4Å; I75-E78 PolarHBondContact O-N 3.21Å; I75-E79 PolarHBondContact O-N 2.78Å; I75-V130 HydrophobicContact CD1-CG1 3.38Å; I75-A134 HydrophobicContact CG2-CB 4.36Å
76	V	94.9	Very high	94.1	Very high	2 Å²	2	61.8 Å²	61.8	1%	0.012	31%	0.314	C	S	.	.	H	α-helix	trans	-61.8	-40	-178.3	167.4	0	0	0	0	111.2	A72 N74 E78 E79 F80 V86 F88 A134 I137	A72-V76 WeakPolarHBondContact O-CB 3.41Å; A72-V76 VanDerWaalsContact O-CG2 3.28Å; A72-V76 WeakPolarHBondContact O-CG2 3.38Å; A72-V76 PolarHBondContact O-N 3.21Å; N74-V76 PolarHBondContact O-N 3.39Å; V76-E78 VanDerWaalsContact C-N 3.32Å; V76-E78 PolarHBondContact O-N 3.02Å; V76-E79 PolarHBondContact O-N 3.4Å; V76-E79 VanDerWaalsContact O-N 3.16Å; V76-F80 HydrophobicContact CG1-CD2 3.83Å; V76-F80 VanDerWaalsContact O-CD2 3.31Å; V76-F80 WeakPolarHBondContact O-CD2 3.49Å; V76-F80 PolarHBondContact O-N 3.46Å; V76-V86 HydrophobicContact CG1-CB 4.02Å; V76-V86 HydrophobicContact CG1-CG1 3.72Å; V76-V86 HydrophobicContact CG1-CG2 4.27Å; V76-F88 HydrophobicContact CB-CE2 4.06Å; V76-F88 HydrophobicContact CB-CZ 4.39Å; V76-F88 HydrophobicContact CG1-CE2 3.91Å; V76-F88 HydrophobicContact CG2-CE2 4.17Å; V76-F88 HydrophobicContact CG2-CZ 4.07Å; V76-A134 HydrophobicContact CG2-CB 4.05Å; V76-I137 HydrophobicContact CG1-CB 4.47Å; V76-I137 HydrophobicContact CG1-CG2 3.69Å; V76-I137 HydrophobicContact CG2-CB 4.1Å; V76-I137 HydrophobicContact CG2-CG1 4.29Å; V76-I137 HydrophobicContact CG2-CG2 4.19Å
77	R	92.4	Very high	94.1	Very high	75 Å²	75	60.3 Å²	60.3	28%	0.283	31%	0.309	S	S	.	.	H	α-helix	trans	-70.6	-27.5	179.5	-177.5	-174.9	54.5	162.4	-2.3	113.1	G28 Q29 A30 S73 N74 I75 E79 F80 P81	G28-R77 PolarHBondContact O-NH1 3.04Å; G28-R77 PolarHBondContact O-NH2 3.1Å; Q29-R77 VanDerWaalsContact C-NH2 3.26Å; Q29-R77 PolarHBondContact O-NH1 3.28Å; A30-R77 VanDerWaalsContact CB-CZ 3.46Å; S73-R77 WeakPolarHBondContact O-CB 3.46Å; S73-R77 PolarHBondContact O-N 2.96Å; N74-R77 PolarHBondContact O-N 2.78Å; N74-R77 PolarHBondContact OD1-NH2 3.38Å; I75-R77 VanDerWaalsContact C-N 3.3Å; I75-R77 PolarHBondContact O-N 3.29Å; R77-E79 VanDerWaalsContact C-N 3.26Å; R77-F80 CarbonylContact O-C 3.48Å; R77-F80 VanDerWaalsContact O-C 3.28Å; R77-P81 VanDerWaalsContact O-CA 3.25Å; R77-P81 WeakPolarHBondContact O-CA 3.39Å
78	E	93.2	Very high	94.1	Very high	157 Å²	157	57 Å²	57	73%	0.734	29%	0.286	S	S	*	.	H	α-helix	trans	-64	-36	170.2	-70.6	178.9	-176.8	0	0	111.4	N74 I75 V76	N74-E78 PolarHBondContact O-N 3.47Å; I75-E78 WeakPolarHBondContact O-CB 3.4Å; I75-E78 PolarHBondContact O-N 3.21Å; V76-E78 VanDerWaalsContact C-N 3.32Å; V76-E78 PolarHBondContact O-N 3.02Å
79	E	93.9	Very high	94.1	Very high	82 Å²	82	54.9 Å²	54.9	38%	0.383	28%	0.275	S	S	.	.	H	α-helix	trans	-80.1	-35.1	178	-65.3	175.7	-171.8	0	0	113.1	I75 V76 R77 P81 R138	I75-E79 PolarHBondContact O-N 2.78Å; V76-E79 PolarHBondContact O-N 3.4Å; V76-E79 VanDerWaalsContact O-N 3.16Å; R77-E79 VanDerWaalsContact C-N 3.26Å; E79-P81 WeakPolarHBondContact O-CD 3.32Å; E79-R138 IonicContact OE1-CZ 3.47Å; E79-R138 IonicContact OE1-NE 3.89Å; E79-R138 PolarHBondContact OE1-NE 2.88Å; E79-R138 IonicContact OE1-NH2 3.72Å; E79-R138 PolarHBondContact OE1-NH2 3.34Å; E79-R138 IonicContact OE2-CZ 2.64Å; E79-R138 IonicContact OE2-NE 3.64Å; E79-R138 PolarHBondContact OE2-NE 3.16Å; E79-R138 IonicContact OE2-NH2 3.29Å; E79-R138 PolarHBondContact OE2-NH2 3.36Å
80	F	92.9	Very high	94.1	Very high	36 Å²	36	58.8 Å²	58.8	16%	0.158	29%	0.29	C	S	.	.			trans	-124.8	78.6	-178.1	-54.5	-75.8	0	0	0	109.3	V76 R77 D82 V86 R138 Q141	V76-F80 HydrophobicContact CG1-CD2 3.83Å; V76-F80 VanDerWaalsContact O-CD2 3.31Å; V76-F80 WeakPolarHBondContact O-CD2 3.49Å; V76-F80 PolarHBondContact O-N 3.46Å; R77-F80 CarbonylContact O-C 3.48Å; R77-F80 VanDerWaalsContact O-C 3.28Å; F80-D82 VanDerWaalsContact C-N 3.27Å; F80-D82 PolarHBondContact O-N 3.46Å; F80-V86 HydrophobicContact CB-CG2 3.96Å; F80-V86 HydrophobicContact CD2-CG2 4.18Å; F80-V86 HydrophobicContact CG-CG2 4.03Å; F80-R138 HydrophobicContact CE2-CG 4.31Å; F80-Q141 HydrophobicContact CD1-CG 4.24Å; F80-Q141 HydrophobicContact CE1-CB 3.98Å; F80-Q141 HydrophobicContact CE1-CG 3.73Å; F80-Q141 HydrophobicContact CE2-CG 4.13Å; F80-Q141 HydrophobicContact CZ-CB 3.95Å; F80-Q141 HydrophobicContact CZ-CG 3.67Å
81	P	89.9	Confident	94.2	Very high	99 Å²	99	55.7 Å²	55.7	64%	0.643	28%	0.275	S	S	*	.			trans	-72.9	-15.5	-170.8	28.5	-36.2	0	0	0	114.2	R77 E79 T83	R77-P81 VanDerWaalsContact O-CA 3.25Å; R77-P81 WeakPolarHBondContact O-CA 3.39Å; E79-P81 WeakPolarHBondContact O-CD 3.32Å; P81-T83 PolarHBondContact O-N 3.44Å
82	D	91.4	Very high	94.3	Very high	90 Å²	90	51.1 Å²	51.1	48%	0.481	26%	0.255	S	S	.	.			trans	-69.7	111.2	171.2	-177.3	-8	0	0	0	109.8	F80 K84 Q85	F80-D82 VanDerWaalsContact C-N 3.27Å; F80-D82 PolarHBondContact O-N 3.46Å; D82-K84 PolarHBondContact O-N 2.88Å; D82-K84 PolarHBondContact OD1-N 3.33Å; D82-Q85 HydrophobicContact CB-CB 3.89Å; D82-Q85 WeakPolarHBondContact O-CB 3.36Å; D82-Q85 PolarHBondContact O-N 2.89Å
83	T	84	Confident	94.3	Very high	105 Å²	105	51.3 Å²	51.3	64%	0.644	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-18.7	-179.9	56.1	0	0	0	0	114.7	P81 V87	P81-T83 PolarHBondContact O-N 3.44Å; T83-V87 WeakPolarHBondContact O-CG2 3.38Å
84	K	88.4	Confident	94.2	Very high	120 Å²	120	54.8 Å²	54.8	52%	0.522	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-16.5	176.1	-65.3	-171.7	178.7	-172.7	0	113	A47 G48 D82	A47-K84 CarbonylContact C-O 3.5Å; A47-K84 WeakPolarHBondContact CA-O 3.34Å; G48-K84 PolarHBondContact N-O 2.9Å; D82-K84 PolarHBondContact O-N 2.88Å; D82-K84 PolarHBondContact OD1-N 3.33Å
85	Q	92	Very high	94.2	Very high	71 Å²	71	59.5 Å²	59.5	33%	0.332	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-47.6	-179.9	-176.4	177.9	2.9	0	0	111.2	V49 D82	V49-Q85 PolarHBondContact N-O 3.2Å; D82-Q85 HydrophobicContact CB-CB 3.89Å; D82-Q85 WeakPolarHBondContact O-CB 3.36Å; D82-Q85 PolarHBondContact O-N 2.89Å
86	V	95.4	Very high	94.3	Very high	16 Å²	16	59 Å²	59	10%	0.097	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	123.1	174.3	-171	0	0	0	0	111	V49 V76 F80 F88 I137 Q141	V49-V86 CarbonylContact O-C 3.47Å; V49-V86 WeakPolarHBondContact O-CA 3.14Å; V76-V86 HydrophobicContact CG1-CB 4.02Å; V76-V86 HydrophobicContact CG1-CG1 3.72Å; V76-V86 HydrophobicContact CG1-CG2 4.27Å; F80-V86 HydrophobicContact CB-CG2 3.96Å; F80-V86 HydrophobicContact CD2-CG2 4.18Å; F80-V86 HydrophobicContact CG-CG2 4.03Å; V86-F88 HydrophobicContact CG1-CD2 4.1Å; V86-F88 HydrophobicContact CG1-CE2 3.87Å; V86-I137 HydrophobicContact CG1-CG2 3.87Å; V86-I137 HydrophobicContact CG2-CG2 4.08Å; V86-Q141 HydrophobicContact CG2-CG 4.22Å
87	V	96.4	Very high	94.3	Very high	17 Å²	17	62.7 Å²	62.7	10%	0.103	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	130.2	177.1	178.3	0	0	0	0	110.1	V33 V43 A47 V49 A50 L51 T83 A89	V33-V87 HydrophobicContact CG2-CG1 4.18Å; V43-V87 HydrophobicContact CG1-CG1 4.02Å; A47-V87 HydrophobicContact CB-CB 3.98Å; A47-V87 HydrophobicContact CB-CG2 3.59Å; V49-V87 PolarHBondContact O-N 3.15Å; A50-V87 CarbonylContact C-O 3.58Å; A50-V87 VanDerWaalsContact CA-O 3.23Å; A50-V87 WeakPolarHBondContact CA-O 3.37Å; A50-V87 HydrophobicContact CB-CB 4.05Å; L51-V87 PolarHBondContact N-O 3.24Å; T83-V87 WeakPolarHBondContact O-CG2 3.38Å; V87-A89 HydrophobicContact CG1-CB 4.36Å
88	F	98	Very high	94.4	Very high	8 Å²	8	62.9 Å²	62.9	4%	0.035	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	127.4	166.2	-83.6	-120	0	0	0	108.1	V33 L51 F69 A72 S73 V76 V86 I133 I137	V33-F88 PolarHBondContact N-O 3.2Å; L51-F88 HydrophobicContact CD2-CE1 4.02Å; L51-F88 HydrophobicContact CD2-CZ 4.17Å; F69-F88 HydrophobicContact CD1-CD1 4.13Å; F69-F88 HydrophobicContact CD2-CD1 4.1Å; F69-F88 HydrophobicContact CD2-CE1 4.17Å; F69-F88 HydrophobicContact CE1-CB 4.13Å; F69-F88 AromaticContact CE1-CD1 3.69Å; F69-F88 HydrophobicContact CE1-CD1 3.69Å; F69-F88 HydrophobicContact CE1-CG 4.37Å; F69-F88 AromaticContact CE2-CD1 3.63Å; F69-F88 HydrophobicContact CE2-CD1 3.63Å; F69-F88 AromaticContact CE2-CE1 3.84Å; F69-F88 HydrophobicContact CE2-CE1 3.84Å; F69-F88 HydrophobicContact CG-CD1 4.32Å; F69-F88 HydrophobicContact CZ-CB 4.29Å; F69-F88 AromaticContact CZ-CD1 3.42Å; F69-F88 HydrophobicContact CZ-CD1 3.42Å; F69-F88 VanDerWaalsContact CZ-CD1 3.42Å; F69-F88 HydrophobicContact CZ-CE1 4.1Å; F69-F88 HydrophobicContact CZ-CG 4.18Å; A72-F88 HydrophobicContact CB-CE1 4.25Å; S73-F88 WeakPolarHBondContact OG-CB 3.35Å; S73-F88 WeakPolarHBondContact OG-CG 3.38Å; V76-F88 HydrophobicContact CB-CE2 4.06Å; V76-F88 HydrophobicContact CB-CZ 4.39Å; V76-F88 HydrophobicContact CG1-CE2 3.91Å; V76-F88 HydrophobicContact CG2-CE2 4.17Å; V76-F88 HydrophobicContact CG2-CZ 4.07Å; V86-F88 HydrophobicContact CG1-CD2 4.1Å; V86-F88 HydrophobicContact CG1-CE2 3.87Å; F88-I133 HydrophobicContact CE1-CG2 3.92Å; F88-I133 HydrophobicContact CZ-CG2 4.1Å; F88-I137 HydrophobicContact CE2-CD1 4.29Å; F88-I137 HydrophobicContact CE2-CG1 3.97Å; F88-I137 HydrophobicContact CZ-CD1 4.33Å; F88-I137 HydrophobicContact CZ-CG1 3.8Å
89	A	98.3	Very high	94.6	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	164.1	-176.5	0	0	0	0	0	111.8	V33 L35 L51 V52 N53 F69 V87	V33-A89 HydrophobicContact CB-CB 4.17Å; V33-A89 CarbonylContact O-C 3.49Å; V33-A89 WeakPolarHBondContact O-CA 3.48Å; V33-A89 WeakPolarHBondContact O-CB 3.33Å; L35-A89 HydrophobicContact CD1-CB 3.59Å; L35-A89 HydrophobicContact CD2-CB 4.14Å; L35-A89 HydrophobicContact CG-CB 3.77Å; L51-A89 PolarHBondContact O-N 2.81Å; V52-A89 CarbonylContact C-O 3.58Å; V52-A89 WeakPolarHBondContact CA-O 3.41Å; V52-A89 HydrophobicContact CG2-CB 4.31Å; N53-A89 PolarHBondContact N-O 3.14Å; F69-A89 WeakPolarHBondContact CE1-O 3.36Å; V87-A89 HydrophobicContact CG1-CB 4.36Å
90	R	98.3	Very high	94.6	Very high	85 Å²	85	52.1 Å²	52.1	32%	0.321	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	147.9	179.2	67.7	-177.2	-178.4	145.7	-0.9	111.5	I32 V33 S34 L35 N53 Y55	I32-R90 HydrophobicContact CG2-CB 4Å; I32-R90 HydrophobicContact CG2-CG 3.83Å; V33-R90 PolarHBondContact O-N 3.42Å; S34-R90 PolarHBondContact OG-NE 2.84Å; S34-R90 PolarHBondContact OG-NH2 2.89Å; S34-R90 VanDerWaalsContact OG-NH2 3.14Å; L35-R90 PolarHBondContact N-O 2.86Å; N53-R90 HydrophobicContact CB-CB 4.34Å; N53-R90 CarbonylContact O-C 3.45Å; N53-R90 VanDerWaalsContact O-CA 3.23Å; N53-R90 WeakPolarHBondContact O-CA 3.29Å; Y55-R90 HydrophobicContact CD1-CB 4.06Å; Y55-R90 HydrophobicContact CE1-CB 3.78Å; Y55-R90 HydrophobicContact CE1-CG 3.89Å; Y55-R90 PolarHBondContact OH-NH1 3.08Å; Y55-R90 VanDerWaalsContact OH-NH1 3.17Å
91	V	98.6	Very high	94.7	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	116.7	175.3	177.6	0	0	0	0	108	L35 I40 V52 N53 F54 Y55 C93 H96 I99	L35-V91 HydrophobicContact CB-CG2 3.83Å; L35-V91 HydrophobicContact CD1-CG2 4.08Å; L35-V91 HydrophobicContact CG-CG2 4.48Å; I40-V91 HydrophobicContact CD1-CG2 4.49Å; V52-V91 HydrophobicContact CG1-CG2 3.84Å; N53-V91 PolarHBondContact O-N 2.82Å; F54-V91 HydrophobicContact CD1-CB 3.75Å; F54-V91 HydrophobicContact CD1-CG1 4.07Å; F54-V91 HydrophobicContact CD1-CG2 4.03Å; F54-V91 HydrophobicContact CE1-CB 4.02Å; F54-V91 HydrophobicContact CE1-CG1 4.29Å; F54-V91 HydrophobicContact CE1-CG2 3.78Å; F54-V91 HydrophobicContact CG-CB 4.47Å; F54-V91 HydrophobicContact CZ-CG2 4.35Å; Y55-V91 WeakPolarHBondContact CD1-O 3.35Å; Y55-V91 VanDerWaalsContact CE1-C 3.45Å; Y55-V91 WeakPolarHBondContact CE1-O 3.34Å; Y55-V91 PolarHBondContact N-O 2.97Å; V91-C93 PolarHBondContact O-N 3.48Å; V91-H96 HydrophobicContact CG1-CB 4.15Å; V91-I99 HydrophobicContact CG1-CB 4.15Å; V91-I99 HydrophobicContact CG1-CG2 3.82Å; V91-I99 HydrophobicContact CG2-CG2 4.13Å
92	D	98.1	Very high	94.9	Very high	13 Å²	13	58.8 Å²	58.8	7%	0.07	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	108.1	166.2	-178.2	-18.6	0	0	0	108.2	Y55 D94 Q95 H96	Y55-D92 HydrophobicContact CE1-CB 4.08Å; D92-D94 VanDerWaalsContact C-N 3.32Å; D92-D94 WeakPolarHBondContact OD1-CB 3.18Å; D92-D94 PolarHBondContact OD1-N 2.96Å; D92-Q95 HydrophobicContact CB-CB 4.23Å; D92-Q95 HydrophobicContact CB-CG 4.42Å; D92-Q95 PolarHBondContact O-N 2.77Å; D92-Q95 PolarHBondContact OD1-N 3.47Å; D92-Q95 VanDerWaalsContact OD2-CD 3.31Å; D92-Q95 WeakPolarHBondContact OD2-CG 3.46Å; D92-Q95 PolarHBondContact OD2-NE2 3.4Å; D92-H96 WeakPolarHBondContact O-CB 3.38Å; D92-H96 PolarHBondContact O-CD2 3.23Å; D92-H96 PolarHBondContact O-N 3.16Å
93	C	97.5	Very high	95	Very high	4 Å²	4	55.5 Å²	55.5	3%	0.027	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-16.2	-174.6	-63	0	0	0	0	113.3	Y55 V91 S97 A100 Y108	Y55-C93 WeakPolarHBondContact O-CB 3.5Å; Y55-C93 PolarHBondContact O-N 2.76Å; V91-C93 PolarHBondContact O-N 3.48Å; C93-S97 PolarHBondContact O-N 3.2Å; C93-A100 HydrophobicContact CB-CB 3.87Å; C93-Y108 HydrophobicContact CB-CE1 3.5Å; C93-Y108 VanDerWaalsContact CB-CE1 3.5Å; C93-Y108 VanDerWaalsContact CB-OH 3.23Å; C93-Y108 WeakPolarHBondContact CB-OH 3.4Å
94	D	93.9	Very high	95.4	Very high	82 Å²	82	59.7 Å²	59.7	44%	0.439	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-39.4	171.7	-70.3	-31.1	0	0	0	109.8	W58 D92	W58-D94 PolarHBondContact NE1-OD1 2.88Å; W58-D94 VanDerWaalsContact NE1-OD1 3.17Å; W58-D94 PolarHBondContact NE1-OD2 2.89Å; D92-D94 VanDerWaalsContact C-N 3.32Å; D92-D94 WeakPolarHBondContact OD1-CB 3.18Å; D92-D94 PolarHBondContact OD1-N 2.96Å
95	Q	96.8	Very high	95.7	Very high	137 Å²	137	54.3 Å²	54.3	64%	0.64	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-35	177.5	-66	-174.6	40	0	0	113.1	D92	D92-Q95 HydrophobicContact CB-CB 4.23Å; D92-Q95 HydrophobicContact CB-CG 4.42Å; D92-Q95 PolarHBondContact O-N 2.77Å; D92-Q95 PolarHBondContact OD1-N 3.47Å; D92-Q95 VanDerWaalsContact OD2-CD 3.31Å; D92-Q95 WeakPolarHBondContact OD2-CG 3.46Å; D92-Q95 PolarHBondContact OD2-NE2 3.4Å
96	H	97.1	Very high	95.8	Very high	39 Å²	39	53.3 Å²	53.3	18%	0.181	25%	0.253	C	S	.	.			trans	-120	60.9	-174.5	-56.2	-68.3	0	0	0	112	D36 V91 D92 D98 I99 A100	D36-H96 WeakPolarHBondContact CB-CE1 3.26Å; V91-H96 HydrophobicContact CG1-CB 4.15Å; D92-H96 WeakPolarHBondContact O-CB 3.38Å; D92-H96 PolarHBondContact O-CD2 3.23Å; D92-H96 PolarHBondContact O-N 3.16Å; H96-D98 PolarHBondContact O-N 3.17Å; H96-I99 HydrophobicContact CB-CB 4.07Å; H96-I99 HydrophobicContact CB-CD1 3.74Å; H96-I99 HydrophobicContact CB-CG1 3.97Å; H96-I99 PolarHBondContact O-N 2.9Å; H96-I99 VanDerWaalsContact O-N 3.15Å; H96-A100 PolarHBondContact O-N 2.64Å
97	S	94.1	Very high	95.8	Very high	81 Å²	81	52.6 Å²	52.6	57%	0.566	25%	0.248	S	C	*	.	H	α-helix	trans	-61.6	-29.6	179.4	60.9	0	0	0	0	113.5	C93 A100 Q101	C93-S97 PolarHBondContact O-N 3.2Å; S97-A100 PolarHBondContact O-N 3.44Å; S97-Q101 WeakPolarHBondContact O-CB 3.48Å; S97-Q101 PolarHBondContact O-N 3.29Å
98	D	94.5	Very high	95.9	Very high	79 Å²	79	52.5 Å²	52.5	42%	0.422	25%	0.246	S	C	.	.	H	α-helix	trans	-61.8	-44.7	172.9	62.1	-41.3	0	0	0	111.6	S37 H96 Q101 R102	S37-D98 PolarHBondContact OG-OD2 3.25Å; H96-D98 PolarHBondContact O-N 3.17Å; D98-Q101 PolarHBondContact O-N 3.22Å; D98-R102 WeakPolarHBondContact O-CB 3.42Å; D98-R102 PolarHBondContact O-N 3.06Å
99	I	96.8	Very high	95.9	Very high	4 Å²	4	52.2 Å²	52.2	2%	0.021	25%	0.245	C	C	.	.	H	α-helix	trans	-67.2	-45.4	176	-59	-178.8	0	0	0	110.4	I40 F54 V91 H96 Q101 R102 Y103	I40-I99 HydrophobicContact CD1-CD1 4.06Å; I40-I99 HydrophobicContact CD1-CG1 4.5Å; I40-I99 HydrophobicContact CD1-CG2 3.5Å; I40-I99 HydrophobicContact CG2-CD1 4.43Å; F54-I99 HydrophobicContact CE1-CG2 4.11Å; V91-I99 HydrophobicContact CG1-CB 4.15Å; V91-I99 HydrophobicContact CG1-CG2 3.82Å; V91-I99 HydrophobicContact CG2-CG2 4.13Å; H96-I99 HydrophobicContact CB-CB 4.07Å; H96-I99 HydrophobicContact CB-CD1 3.74Å; H96-I99 HydrophobicContact CB-CG1 3.97Å; H96-I99 PolarHBondContact O-N 2.9Å; H96-I99 VanDerWaalsContact O-N 3.15Å; I99-Q101 VanDerWaalsContact C-N 3.27Å; I99-Q101 PolarHBondContact O-N 2.78Å; I99-R102 WeakPolarHBondContact O-CB 3.39Å; I99-R102 PolarHBondContact O-N 3.07Å; I99-Y103 HydrophobicContact CG2-CD2 3.79Å; I99-Y103 HydrophobicContact CG2-CE2 3.86Å; I99-Y103 WeakPolarHBondContact O-CD2 3.46Å; I99-Y103 PolarHBondContact O-N 3.02Å; I99-Y103 VanDerWaalsContact O-N 3.08Å
100	A	95.3	Very high	95.9	Very high	9 Å²	9	52.3 Å²	52.3	7%	0.074	25%	0.245	C	C	.	.	H	α-helix	trans	-59	-40.2	176.9	0	0	0	0	0	111.7	C93 H96 S97 R104 I105	C93-A100 HydrophobicContact CB-CB 3.87Å; H96-A100 PolarHBondContact O-N 2.64Å; S97-A100 PolarHBondContact O-N 3.44Å; A100-R104 PolarHBondContact O-N 3.22Å; A100-R104 VanDerWaalsContact O-N 3.12Å; A100-I105 HydrophobicContact CB-CB 4.32Å; A100-I105 HydrophobicContact CB-CG1 4.34Å; A100-I105 WeakPolarHBondContact O-CG1 3.37Å; A100-I105 PolarHBondContact O-N 3.43Å
101	Q	93.6	Very high	95.9	Very high	136 Å²	136	48.5 Å²	48.5	64%	0.636	23%	0.232	S	C	*	.	H	α-helix	trans	-67.6	-44.4	174.8	-174.3	176.7	2.6	0	0	111.9	S97 D98 I99 Y103 R104	S97-Q101 WeakPolarHBondContact O-CB 3.48Å; S97-Q101 PolarHBondContact O-N 3.29Å; D98-Q101 PolarHBondContact O-N 3.22Å; I99-Q101 VanDerWaalsContact C-N 3.27Å; I99-Q101 PolarHBondContact O-N 2.78Å; Q101-Y103 VanDerWaalsContact C-N 3.26Å; Q101-Y103 PolarHBondContact O-N 3.26Å; Q101-R104 PolarHBondContact O-N 2.96Å
102	R	93.7	Very high	95.9	Very high	138 Å²	138	49.3 Å²	49.3	52%	0.521	24%	0.235	S	C	.	.	H	α-helix	trans	-53.4	-43.1	177.8	-176.4	178.9	-176.9	-174.2	-4.4	111.7	D41 D98 I99	D41-R102 IonicContact OD1-CZ 3.83Å; D41-R102 VanDerWaalsContact OD1-CZ 3.31Å; D41-R102 IonicContact OD1-NH1 3.31Å; D41-R102 PolarHBondContact OD1-NH1 2.79Å; D41-R102 IonicContact OD1-NH2 3.84Å; D41-R102 PolarHBondContact OD1-NH2 3.15Å; D41-R102 IonicContact OD2-NH1 2.8Å; D41-R102 PolarHBondContact OD2-NH1 2.56Å; D98-R102 WeakPolarHBondContact O-CB 3.42Å; D98-R102 PolarHBondContact O-N 3.06Å; I99-R102 WeakPolarHBondContact O-CB 3.39Å; I99-R102 PolarHBondContact O-N 3.07Å
103	Y	94.3	Very high	95.8	Very high	22 Å²	22	48.9 Å²	48.9	9%	0.086	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	10.8	179.8	-62.4	-66	0	0	0	114.5	I40 F54 I99 Q101 I105 K112 F114 M119	I40-Y103 HydrophobicContact CD1-CE2 3.71Å; F54-Y103 AromaticContact CE1-CD2 3.77Å; F54-Y103 HydrophobicContact CE1-CD2 3.77Å; F54-Y103 HydrophobicContact CE1-CG 4.27Å; F54-Y103 AromaticContact CZ-CD2 3.71Å; F54-Y103 HydrophobicContact CZ-CD2 3.71Å; F54-Y103 HydrophobicContact CZ-CE2 4.43Å; F54-Y103 AromaticContact CZ-CG 3.96Å; F54-Y103 HydrophobicContact CZ-CG 3.96Å; I99-Y103 HydrophobicContact CG2-CD2 3.79Å; I99-Y103 HydrophobicContact CG2-CE2 3.86Å; I99-Y103 WeakPolarHBondContact O-CD2 3.46Å; I99-Y103 PolarHBondContact O-N 3.02Å; I99-Y103 VanDerWaalsContact O-N 3.08Å; Q101-Y103 VanDerWaalsContact C-N 3.26Å; Q101-Y103 PolarHBondContact O-N 3.26Å; Y103-I105 VanDerWaalsContact C-N 3.32Å; Y103-I105 PolarHBondContact O-N 3.09Å; Y103-K112 WeakPolarHBondContact O-CE 3.49Å; Y103-K112 PolarHBondContact O-NZ 2.89Å; Y103-F114 HydrophobicContact CD1-CE1 4.07Å; Y103-F114 AromaticContact CD1-CZ 3.89Å; Y103-F114 HydrophobicContact CD1-CZ 3.89Å; Y103-F114 AromaticContact CE1-CE1 3.45Å; Y103-F114 HydrophobicContact CE1-CE1 3.45Å; Y103-F114 VanDerWaalsContact CE1-CE1 3.45Å; Y103-F114 AromaticContact CE1-CZ 3.65Å; Y103-F114 HydrophobicContact CE1-CZ 3.65Å; Y103-F114 HydrophobicContact CE2-CZ 4.47Å; Y103-F114 HydrophobicContact CG-CZ 4.39Å; Y103-F114 AromaticContact CZ-CE1 3.83Å; Y103-F114 AromaticContact CZ-CZ 3.95Å; Y103-M119 HydrophobicContact CD1-SD 3.63Å; Y103-M119 HydrophobicContact CE1-SD 4.38Å; Y103-M119 HydrophobicContact CG-SD 4.49Å
104	R	93.3	Very high	95.6	Very high	193 Å²	193	48.7 Å²	48.7	73%	0.728	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.2	46.6	176.4	-55.5	-179.4	-179.1	177.2	-0.4	112.8	A100 Q101 T106	A100-R104 PolarHBondContact O-N 3.22Å; A100-R104 VanDerWaalsContact O-N 3.12Å; Q101-R104 PolarHBondContact O-N 2.96Å; R104-T106 PolarHBondContact O-N 2.92Å
105	I	94.8	Very high	95.5	Very high	7 Å²	7	46 Å²	46	4%	0.036	22%	0.215	C	C	.	.			trans	-70.2	122.3	177.8	-52.5	-57.2	0	0	0	109.3	F54 A100 Y103 K107 Y108 T110 K112 L402	F54-I105 HydrophobicContact CB-CD1 3.87Å; F54-I105 HydrophobicContact CB-CG1 4Å; F54-I105 HydrophobicContact CB-CG2 4.14Å; F54-I105 HydrophobicContact CD1-CD1 3.66Å; F54-I105 HydrophobicContact CD1-CG1 3.55Å; F54-I105 HydrophobicContact CD2-CD1 3.7Å; F54-I105 HydrophobicContact CD2-CG1 4.48Å; F54-I105 HydrophobicContact CE1-CD1 4.06Å; F54-I105 HydrophobicContact CE1-CG1 4.1Å; F54-I105 HydrophobicContact CE2-CD1 4.12Å; F54-I105 HydrophobicContact CG-CD1 3.45Å; F54-I105 VanDerWaalsContact CG-CD1 3.45Å; F54-I105 HydrophobicContact CG-CG1 3.76Å; F54-I105 HydrophobicContact CZ-CD1 4.28Å; A100-I105 HydrophobicContact CB-CB 4.32Å; A100-I105 HydrophobicContact CB-CG1 4.34Å; A100-I105 WeakPolarHBondContact O-CG1 3.37Å; A100-I105 PolarHBondContact O-N 3.43Å; Y103-I105 VanDerWaalsContact C-N 3.32Å; Y103-I105 PolarHBondContact O-N 3.09Å; I105-K107 WeakPolarHBondContact CG2-O 3.4Å; I105-Y108 HydrophobicContact CG2-CD1 3.96Å; I105-Y108 HydrophobicContact CG2-CE1 3.63Å; I105-T110 HydrophobicContact CD1-CG2 3.96Å; I105-K112 HydrophobicContact CD1-CD 4.17Å; I105-L402 HydrophobicContact CG2-CD1 4.49Å
106	T	93.6	Very high	95.1	Very high	49 Å²	49	44.8 Å²	44.8	30%	0.301	21%	0.213	S	C	.	.			trans	-118.7	-1.6	-178.2	53.9	0	0	0	0	113	R104 L402	R104-T106 PolarHBondContact O-N 2.92Å; T106-L402 WeakPolarHBondContact O-CA 3.42Å; T106-L402 VanDerWaalsContact O-CB 3.27Å; T106-L402 WeakPolarHBondContact O-CB 3.45Å; T106-L402 WeakPolarHBondContact O-CG 3.44Å; T106-L402 PolarHBondContact O-N 3.2Å
107	K	96.1	Very high	94.7	Very high	1 Å²	1	44 Å²	44	0%	0.004	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	154.4	-179.1	64.8	-170.4	-176.6	-66.8	0	111.7	I105 T110 E123 E259 P394 Y399 T400 I401	I105-K107 WeakPolarHBondContact CG2-O 3.4Å; K107-T110 VanDerWaalsContact CG-OG1 3.27Å; K107-T110 WeakPolarHBondContact CG-OG1 3.18Å; K107-T110 PolarHBondContact O-OG1 3.31Å; K107-E123 IonicContact NZ-OE1 3.16Å; K107-E123 IonicContact NZ-OE2 3.8Å; K107-E123 PolarHBondContact NZ-OE2 3.24Å; K107-E259 WeakPolarHBondContact CD-OE1 3.09Å; K107-E259 WeakPolarHBondContact CE-OE1 3.37Å; K107-E259 IonicContact NZ-OE1 3.46Å; K107-E259 PolarHBondContact NZ-OE1 3.02Å; K107-E259 IonicContact NZ-OE2 2.71Å; K107-E259 PolarHBondContact NZ-OE2 3.25Å; K107-P394 HydrophobicContact CD-CB 3.72Å; K107-P394 HydrophobicContact CD-CG 3.95Å; K107-Y399 HydrophobicContact CB-CD1 4.37Å; K107-Y399 HydrophobicContact CB-CG 4.37Å; K107-Y399 HydrophobicContact CD-CD1 3.85Å; K107-Y399 HydrophobicContact CD-CD2 4.07Å; K107-Y399 HydrophobicContact CD-CE1 3.94Å; K107-Y399 HydrophobicContact CD-CE2 4.18Å; K107-Y399 HydrophobicContact CD-CG 3.94Å; K107-Y399 HydrophobicContact CG-CD1 4.03Å; K107-Y399 HydrophobicContact CG-CE1 4.38Å; K107-Y399 HydrophobicContact CG-CG 4.35Å; K107-T400 CarbonylContact C-O 3.56Å; K107-T400 WeakPolarHBondContact CA-O 3.2Å; K107-I401 HydrophobicContact CB-CD1 3.89Å
108	Y	97.8	Very high	94.4	Very high	16 Å²	16	42.7 Å²	42.7	6%	0.063	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	144.8	174.6	-54.6	-46.1	0	0	0	112.5	A56 W58 C93 I105 Y399 T400 L402	A56-Y108 HydrophobicContact CB-CD2 3.58Å; A56-Y108 HydrophobicContact CB-CE2 3.61Å; A56-Y108 HydrophobicContact CB-CG 4.25Å; W58-Y108 HydrophobicContact CH2-CD2 4.42Å; W58-Y108 HydrophobicContact CZ2-CD2 4.22Å; W58-Y108 HydrophobicContact CZ2-CE2 4Å; C93-Y108 HydrophobicContact CB-CE1 3.5Å; C93-Y108 VanDerWaalsContact CB-CE1 3.5Å; C93-Y108 VanDerWaalsContact CB-OH 3.23Å; C93-Y108 WeakPolarHBondContact CB-OH 3.4Å; I105-Y108 HydrophobicContact CG2-CD1 3.96Å; I105-Y108 HydrophobicContact CG2-CE1 3.63Å; Y108-Y399 CarbonylContact O-C 3.51Å; Y108-Y399 VanDerWaalsContact O-CA 3.28Å; Y108-Y399 WeakPolarHBondContact O-CA 3.39Å; Y108-T400 HydrophobicContact CD2-CG2 4.44Å; Y108-T400 PolarHBondContact N-O 3.48Å; Y108-T400 PolarHBondContact O-N 2.96Å; Y108-L402 HydrophobicContact CD1-CD1 4.49Å; Y108-L402 HydrophobicContact CD2-CD2 3.84Å; Y108-L402 HydrophobicContact CE1-CD1 3.82Å; Y108-L402 HydrophobicContact CE2-CD1 3.91Å; Y108-L402 HydrophobicContact CE2-CD2 3.41Å; Y108-L402 VanDerWaalsContact CE2-CD2 3.41Å; Y108-L402 HydrophobicContact CE2-CG 4.17Å; Y108-L402 VanDerWaalsContact CZ-CD1 3.47Å; Y108-L402 WeakPolarHBondContact OH-CD1 3.49Å
109	P	98	Very high	94.2	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.013	20%	0.198	C	C	.	.	S	Bend	cis	-70.7	147.1	-18.6	29.8	-33	0	0	0	110.5	N53 F54 L65 Y399	N53-P109 WeakPolarHBondContact OD1-CB 3.38Å; F54-P109 VanDerWaalsContact O-CA 3.32Å; F54-P109 WeakPolarHBondContact O-CA 3.48Å; L65-P109 HydrophobicContact CB-CG 4.3Å; L65-P109 HydrophobicContact CD2-CB 3.64Å; L65-P109 HydrophobicContact CD2-CG 3.58Å; P109-Y399 WeakPolarHBondContact O-CD1 3.31Å; P109-Y399 WeakPolarHBondContact O-CE1 3.27Å
110	T	98.2	Very high	93.9	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.006	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	129.4	169.2	-70.6	0	0	0	0	109.2	F54 I105 K107 K112 E123	F54-T110 PolarHBondContact N-O 2.84Å; F54-T110 PolarHBondContact O-N 2.85Å; I105-T110 HydrophobicContact CD1-CG2 3.96Å; K107-T110 VanDerWaalsContact CG-OG1 3.27Å; K107-T110 WeakPolarHBondContact CG-OG1 3.18Å; K107-T110 PolarHBondContact O-OG1 3.31Å; T110-K112 HydrophobicContact CG2-CG 3.89Å; T110-E123 WeakPolarHBondContact CG2-OE1 3.46Å
111	L	98.4	Very high	93.3	Very high	6 Å²	6	46.4 Å²	46.4	3%	0.031	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	109.6	-179.7	-73.4	167.8	0	0	0	109.5	L51 V52 N53 L65 F69 E123 Y124	L51-L111 HydrophobicContact CD1-CB 4.3Å; L51-L111 HydrophobicContact CG-CD2 4.43Å; V52-L111 WeakPolarHBondContact O-CA 3.5Å; N53-L111 HydrophobicContact CB-CD2 3.76Å; L65-L111 HydrophobicContact CD2-CD1 3.99Å; L65-L111 HydrophobicContact CD2-CD2 4.26Å; L65-L111 HydrophobicContact CD2-CG 4.21Å; F69-L111 HydrophobicContact CD2-CD2 3.95Å; F69-L111 HydrophobicContact CE2-CD2 3.51Å; F69-L111 HydrophobicContact CZ-CD2 4.24Å; L111-E123 WeakPolarHBondContact O-CA 3.28Å; L111-Y124 HydrophobicContact CB-CD1 4.42Å; L111-Y124 HydrophobicContact CD1-CD1 3.55Å; L111-Y124 HydrophobicContact CD1-CE1 4.25Å; L111-Y124 HydrophobicContact CD1-CG 4.42Å; L111-Y124 PolarHBondContact O-N 3.5Å
112	K	97.5	Very high	93	Very high	17 Å²	17	43.9 Å²	43.9	7%	0.074	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	141.4	177.9	-57.3	-166.2	177	-93.2	0	111.2	V52 F54 Y103 I105 T110 F114 M119 E123	V52-K112 PolarHBondContact N-O 3.47Å; V52-K112 PolarHBondContact O-N 2.93Å; F54-K112 HydrophobicContact CD2-CG 4.18Å; F54-K112 HydrophobicContact CE2-CB 3.96Å; F54-K112 HydrophobicContact CE2-CD 4Å; F54-K112 HydrophobicContact CE2-CG 3.89Å; Y103-K112 WeakPolarHBondContact O-CE 3.49Å; Y103-K112 PolarHBondContact O-NZ 2.89Å; I105-K112 HydrophobicContact CD1-CD 4.17Å; T110-K112 HydrophobicContact CG2-CG 3.89Å; K112-F114 HydrophobicContact CB-CE2 3.81Å; K112-F114 HydrophobicContact CB-CZ 4.45Å; K112-M119 HydrophobicContact CD-CG 4.32Å; K112-M119 HydrophobicContact CD-SD 3.56Å; K112-M119 VanDerWaalsContact CD-SD 3.56Å; K112-E123 WeakPolarHBondContact CE-OE1 3.39Å; K112-E123 HydrophobicContact CG-CG 4.36Å; K112-E123 IonicContact NZ-OE1 3.68Å; K112-E123 PolarHBondContact NZ-OE1 3.01Å
113	L	95.9	Very high	93	Very high	3 Å²	3	38.5 Å²	38.5	2%	0.016	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	139.4	175.3	-165.5	73.8	0	0	0	109.7	V49 A50 L51 M120 F136 I137 Q140	V49-L113 HydrophobicContact CG1-CD1 3.45Å; V49-L113 VanDerWaalsContact CG1-CD1 3.45Å; V49-L113 HydrophobicContact CG1-CG 4.2Å; A50-L113 CarbonylContact O-C 3.54Å; A50-L113 WeakPolarHBondContact O-CA 3.26Å; L51-L113 HydrophobicContact CB-CD1 4.38Å; L51-L113 HydrophobicContact CD1-CD1 4.29Å; L113-M120 HydrophobicContact CB-CB 4.09Å; L113-M120 HydrophobicContact CB-CG 4.09Å; L113-M120 HydrophobicContact CD2-CG 4.06Å; L113-M120 HydrophobicContact CG-CG 4.19Å; L113-M120 WeakPolarHBondContact O-CB 3.45Å; L113-M120 PolarHBondContact O-N 2.89Å; L113-F136 HydrophobicContact CD1-CE1 4.01Å; L113-F136 HydrophobicContact CD1-CZ 4.47Å; L113-F136 HydrophobicContact CD2-CE1 4.4Å; L113-F136 HydrophobicContact CD2-CZ 4.06Å; L113-I137 HydrophobicContact CD1-CD1 4.31Å; L113-Q140 HydrophobicContact CD2-CB 4.18Å; L113-Q140 VanDerWaalsContact CD2-CD 3.45Å; L113-Q140 HydrophobicContact CD2-CG 3.52Å; L113-Q140 VanDerWaalsContact CD2-OE1 3.25Å
114	F	94.9	Very high	93.1	Very high	1 Å²	1	38.5 Å²	38.5	0%	0.004	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	149.1	174	-64.7	-102.9	0	0	0	109.5	L44 V49 A50 V52 F54 Y103 K112 M118 M119	L44-F114 HydrophobicContact CD1-CD1 3.86Å; L44-F114 HydrophobicContact CD1-CE1 3.79Å; L44-F114 HydrophobicContact CD1-CG 4.26Å; L44-F114 HydrophobicContact CD1-CZ 4.15Å; L44-F114 HydrophobicContact CD2-CB 4.24Å; L44-F114 HydrophobicContact CD2-CD1 4.44Å; L44-F114 HydrophobicContact CD2-CD2 4.15Å; L44-F114 HydrophobicContact CD2-CG 4.04Å; V49-F114 CarbonylContact C-O 3.53Å; V49-F114 WeakPolarHBondContact CA-O 3.33Å; A50-F114 HydrophobicContact CB-CB 4.21Å; A50-F114 PolarHBondContact N-O 3.22Å; A50-F114 PolarHBondContact O-N 2.92Å; V52-F114 HydrophobicContact CB-CD2 4.3Å; V52-F114 HydrophobicContact CB-CE2 3.93Å; V52-F114 HydrophobicContact CG2-CD2 3.52Å; V52-F114 HydrophobicContact CG2-CE2 3.53Å; F54-F114 HydrophobicContact CE2-CE2 4.34Å; F54-F114 HydrophobicContact CZ-CE2 4.48Å; F54-F114 HydrophobicContact CZ-CZ 4.4Å; Y103-F114 HydrophobicContact CD1-CE1 4.07Å; Y103-F114 AromaticContact CD1-CZ 3.89Å; Y103-F114 HydrophobicContact CD1-CZ 3.89Å; Y103-F114 AromaticContact CE1-CE1 3.45Å; Y103-F114 HydrophobicContact CE1-CE1 3.45Å; Y103-F114 VanDerWaalsContact CE1-CE1 3.45Å; Y103-F114 AromaticContact CE1-CZ 3.65Å; Y103-F114 HydrophobicContact CE1-CZ 3.65Å; Y103-F114 HydrophobicContact CE2-CZ 4.47Å; Y103-F114 HydrophobicContact CG-CZ 4.39Å; Y103-F114 AromaticContact CZ-CE1 3.83Å; Y103-F114 AromaticContact CZ-CZ 3.95Å; K112-F114 HydrophobicContact CB-CE2 3.81Å; K112-F114 HydrophobicContact CB-CZ 4.45Å; F114-M118 CarbonylContact C-O 3.45Å; F114-M118 WeakPolarHBondContact CA-O 3.41Å; F114-M119 HydrophobicContact CD1-CB 3.82Å; F114-M119 HydrophobicContact CD1-CG 4.31Å; F114-M119 HydrophobicContact CE1-CB 3.54Å; F114-M119 HydrophobicContact CE1-CG 3.82Å; F114-M119 HydrophobicContact CZ-CB 4.2Å; F114-M119 HydrophobicContact CZ-CG 3.95Å; F114-M119 HydrophobicContact CZ-SD 4.39Å
115	R	90.8	Very high	93.1	Very high	26 Å²	26	30.9 Å²	30.9	10%	0.098	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	117.8	172.3	-70.9	-175.7	-178.4	-96.9	-2.8	109.6	G48 V49 G117 M118 M120 Q140 N184	G48-R115 WeakPolarHBondContact O-CA 3.29Å; V49-R115 HydrophobicContact CG2-CG 4.19Å; R115-G117 PolarHBondContact O-N 3.39Å; R115-M118 PolarHBondContact N-O 2.8Å; R115-M118 WeakPolarHBondContact O-CB 3.35Å; R115-M118 PolarHBondContact O-N 3.27Å; R115-M120 HydrophobicContact CG-CG 4.45Å; R115-M120 HydrophobicContact CG-SD 4.26Å; R115-Q140 PolarHBondContact NH1-O 3.17Å; R115-Q140 PolarHBondContact NH2-O 3.15Å; R115-N184 PolarHBondContact NH1-OD1 3.26Å
116	N	88.8	Confident	93.1	Very high	111 Å²	111	32.2 Å²	32.2	59%	0.594	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	48	48.4	179.6	-53.7	-46.9	0	0	0	111.4	A47 G48 M118	A47-N116 WeakPolarHBondContact O-CA 3.28Å; A47-N116 PolarHBondContact O-N 2.72Å; A47-N116 PolarHBondContact O-OD1 2.94Å; G48-N116 WeakPolarHBondContact CA-OD1 3.35Å; N116-M118 PolarHBondContact O-N 2.98Å
117	G	88.9	Confident	93.2	Very high	21 Å²	21	36.6 Å²	36.6	22%	0.216	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.4	-17.2	-177.8	0	0	0	0	0	115.9	L44 N45 R115	L44-G117 WeakPolarHBondContact O-CA 3.2Å; L44-G117 PolarHBondContact O-N 3.12Å; N45-G117 WeakPolarHBondContact OD1-CA 3.25Å; R115-G117 PolarHBondContact O-N 3.39Å
118	M	87.3	Confident	93.2	Very high	55 Å²	55	39 Å²	39	27%	0.271	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	122	-177.1	-171.6	161.3	-175.6	0	0	111.7	F114 R115 N116 M120 I185 F231	F114-M118 CarbonylContact C-O 3.45Å; F114-M118 WeakPolarHBondContact CA-O 3.41Å; R115-M118 PolarHBondContact N-O 2.8Å; R115-M118 WeakPolarHBondContact O-CB 3.35Å; R115-M118 PolarHBondContact O-N 3.27Å; N116-M118 PolarHBondContact O-N 2.98Å; M118-M120 PolarHBondContact O-N 2.86Å; M118-I185 HydrophobicContact CE-CD1 3.3Å; M118-I185 HydrophobicContact CE-CG1 3.73Å; M118-I185 HydrophobicContact CE-CG2 4.27Å; M118-I185 HydrophobicContact SD-CD1 3.35Å; M118-I185 WeakPolarHBondContact SD-CD1 3.33Å; M118-I185 HydrophobicContact SD-CG1 3.68Å; M118-F231 HydrophobicContact CE-CZ 4.15Å; M118-F231 HydrophobicContact SD-CZ 4.17Å
119	M	91.1	Very high	93.2	Very high	73 Å²	73	39.4 Å²	39.4	36%	0.36	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	129.3	174	-170.1	-177.6	67.1	0	0	110.5	Y103 K112 F114	Y103-M119 HydrophobicContact CD1-SD 3.63Å; Y103-M119 HydrophobicContact CE1-SD 4.38Å; Y103-M119 HydrophobicContact CG-SD 4.49Å; K112-M119 HydrophobicContact CD-CG 4.32Å; K112-M119 HydrophobicContact CD-SD 3.56Å; K112-M119 VanDerWaalsContact CD-SD 3.56Å; F114-M119 HydrophobicContact CD1-CB 3.82Å; F114-M119 HydrophobicContact CD1-CG 4.31Å; F114-M119 HydrophobicContact CE1-CB 3.54Å; F114-M119 HydrophobicContact CE1-CG 3.82Å; F114-M119 HydrophobicContact CZ-CB 4.2Å; F114-M119 HydrophobicContact CZ-CG 3.95Å; F114-M119 HydrophobicContact CZ-SD 4.39Å
120	M	89.6	Confident	93.2	Very high	11 Å²	11	40.4 Å²	40.4	5%	0.054	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	148.8	174.1	-66.3	-57.8	-43.9	0	0	111.3	L113 R115 M118 N184 I185	L113-M120 HydrophobicContact CB-CB 4.09Å; L113-M120 HydrophobicContact CB-CG 4.09Å; L113-M120 HydrophobicContact CD2-CG 4.06Å; L113-M120 HydrophobicContact CG-CG 4.19Å; L113-M120 WeakPolarHBondContact O-CB 3.45Å; L113-M120 PolarHBondContact O-N 2.89Å; R115-M120 HydrophobicContact CG-CG 4.45Å; R115-M120 HydrophobicContact CG-SD 4.26Å; M118-M120 PolarHBondContact O-N 2.86Å; M120-N184 VanDerWaalsContact CE-O 3.28Å; M120-N184 WeakPolarHBondContact CE-O 3.21Å; M120-I185 VanDerWaalsContact CE-O 3.32Å; M120-I185 WeakPolarHBondContact CE-O 3.34Å
121	K	82	Confident	93.2	Very high	85 Å²	85	44.7 Å²	44.7	37%	0.37	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	-46.1	-178.5	-175.5	-173.8	173.5	-163.5	0	112	E256	K121-E256 VanDerWaalsContact CE-OE1 3.29Å; K121-E256 WeakPolarHBondContact CE-OE1 3.42Å; K121-E256 IonicContact NZ-OE1 2.74Å
122	R	87.6	Confident	93.1	Very high	83 Å²	83	45.4 Å²	45.4	31%	0.313	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	132.6	-174.9	-60	-167.8	-175.8	174.2	10.3	111.4	D188 D189 E256	R122-D188 PolarHBondContact NH2-O 2.92Å; R122-D189 IonicContact CZ-OD1 3.49Å; R122-D189 IonicContact NH2-OD1 2.82Å; R122-D189 PolarHBondContact NH2-OD1 3.03Å; R122-E256 IonicContact NE-OE2 3.3Å
123	E	94.3	Very high	93.2	Very high	25 Å²	25	44.6 Å²	44.6	12%	0.117	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	157.2	169.7	-57	-173.8	165.6	0	0	110.5	K107 T110 L111 K112 R125	K107-E123 IonicContact NZ-OE1 3.16Å; K107-E123 IonicContact NZ-OE2 3.8Å; K107-E123 PolarHBondContact NZ-OE2 3.24Å; T110-E123 WeakPolarHBondContact CG2-OE1 3.46Å; L111-E123 WeakPolarHBondContact O-CA 3.28Å; K112-E123 WeakPolarHBondContact CE-OE1 3.39Å; K112-E123 HydrophobicContact CG-CG 4.36Å; K112-E123 IonicContact NZ-OE1 3.68Å; K112-E123 PolarHBondContact NZ-OE1 3.01Å; E123-R125 HydrophobicContact CB-CG 4.32Å; E123-R125 PolarHBondContact O-N 3.35Å; E123-R125 IonicContact OE2-CZ 3.82Å; E123-R125 IonicContact OE2-NH1 2.64Å; E123-R125 IonicContact OE2-NH2 2.71Å; E123-R125 PolarHBondContact OE2-NH2 3.38Å
124	Y	95.8	Very high	93.2	Very high	22 Å²	22	44.5 Å²	44.5	9%	0.086	23%	0.232	C	C	.	.			trans	-77.7	108.7	167.9	179.9	-95.3	0	0	0	110.3	L111 Q127 A132 I133 F136	L111-Y124 HydrophobicContact CB-CD1 4.42Å; L111-Y124 HydrophobicContact CD1-CD1 3.55Å; L111-Y124 HydrophobicContact CD1-CE1 4.25Å; L111-Y124 HydrophobicContact CD1-CG 4.42Å; L111-Y124 PolarHBondContact O-N 3.5Å; Y124-Q127 PolarHBondContact OH-O 3.35Å; Y124-A132 VanDerWaalsContact OH-CB 3.3Å; Y124-A132 WeakPolarHBondContact OH-CB 3.32Å; Y124-A132 PolarHBondContact OH-O 2.88Å; Y124-I133 HydrophobicContact CE1-CG1 3.85Å; Y124-I133 PolarHBondContact OH-N 2.79Å; Y124-F136 HydrophobicContact CD2-CB 3.9Å; Y124-F136 AromaticContact CD2-CD1 3.55Å; Y124-F136 HydrophobicContact CD2-CD1 3.55Å; Y124-F136 AromaticContact CD2-CD2 3.74Å; Y124-F136 HydrophobicContact CD2-CD2 3.74Å; Y124-F136 AromaticContact CD2-CE1 3.91Å; Y124-F136 HydrophobicContact CD2-CE1 3.91Å; Y124-F136 HydrophobicContact CD2-CE2 4.1Å; Y124-F136 AromaticContact CD2-CG 3.44Å; Y124-F136 HydrophobicContact CD2-CG 3.44Å; Y124-F136 VanDerWaalsContact CD2-CG 3.44Å; Y124-F136 HydrophobicContact CD2-CZ 4.17Å; Y124-F136 HydrophobicContact CE2-CB 3.58Å; Y124-F136 HydrophobicContact CE2-CD1 4.11Å; Y124-F136 HydrophobicContact CE2-CD2 4.13Å; Y124-F136 AromaticContact CE2-CG 3.68Å; Y124-F136 HydrophobicContact CE2-CG 3.68Å; Y124-F136 HydrophobicContact CG-CD1 4.27Å; Y124-F136 HydrophobicContact CG-CE1 4.38Å
125	R	94.4	Very high	93.3	Very high	34 Å²	34	47.8 Å²	47.8	13%	0.128	25%	0.249	C	C	.	.			trans	-110.8	2.9	-179.9	-56.5	-177.7	-173.3	-87.8	-0.5	113.8	E123 E255 E259 R398	E123-R125 HydrophobicContact CB-CG 4.32Å; E123-R125 PolarHBondContact O-N 3.35Å; E123-R125 IonicContact OE2-CZ 3.82Å; E123-R125 IonicContact OE2-NH1 2.64Å; E123-R125 IonicContact OE2-NH2 2.71Å; E123-R125 PolarHBondContact OE2-NH2 3.38Å; R125-E255 IonicContact CZ-OE1 3.91Å; R125-E255 IonicContact NH1-OE1 2.97Å; R125-E255 PolarHBondContact NH1-OE1 3.01Å; R125-E259 IonicContact CZ-OE1 2.86Å; R125-E259 IonicContact CZ-OE2 2.64Å; R125-E259 VanDerWaalsContact NH1-CD 3.29Å; R125-E259 IonicContact NH1-OE1 3.55Å; R125-E259 PolarHBondContact NH1-OE1 3.02Å; R125-E259 IonicContact NH1-OE2 3.37Å; R125-E259 PolarHBondContact NH1-OE2 2.85Å; R125-E259 VanDerWaalsContact NH2-CD 3.29Å; R125-E259 IonicContact NH2-OE1 3.54Å; R125-E259 IonicContact NH2-OE2 3.74Å; R125-E259 PolarHBondContact NH2-OE2 3.17Å; R125-R398 PolarHBondContact O-NH1 3.15Å; R125-R398 PolarHBondContact O-NH2 3.42Å
126	G	93.9	Very high	93.5	Very high	34 Å²	34	48.1 Å²	48.1	35%	0.351	25%	0.251	S	S	.	.	S	Bend	trans	-67	-171.6	-177.6	0	0	0	0	0	114	R128 R398	G126-R128 PolarHBondContact O-N 3.34Å; G126-R398 PolarHBondContact O-NH2 3.23Å
127	Q	95.6	Very high	93.9	Very high	142 Å²	142	42.8 Å²	42.8	66%	0.664	22%	0.223	S	C	*	.			trans	-63.1	130.5	177.7	-174.9	178.2	13.4	0	0	110.7	Y124 S129 A132	Y124-Q127 PolarHBondContact OH-O 3.35Å; Q127-S129 PolarHBondContact O-N 3.17Å; Q127-A132 HydrophobicContact CB-CB 4.03Å; Q127-A132 WeakPolarHBondContact O-CB 3.34Å
128	R	96.9	Very high	94.1	Very high	51 Å²	51	45.6 Å²	45.6	19%	0.192	23%	0.227	C	C	.	.			trans	-81.8	68.1	175	-64.9	178.5	-173.3	149.9	3.9	110.6	L65 I68 G126 R398	L65-R128 HydrophobicContact CD1-CB 4.13Å; L65-R128 HydrophobicContact CD1-CG 4.14Å; I68-R128 VanDerWaalsContact CD1-O 3.22Å; I68-R128 WeakPolarHBondContact CD1-O 3.34Å; G126-R128 PolarHBondContact O-N 3.34Å; R128-R398 PolarHBondContact NH1-O 2.86Å; R128-R398 PolarHBondContact NH2-O 2.99Å; R128-R398 VanDerWaalsContact NH2-O 3.12Å
129	S	98	Very high	94.4	Very high	24 Å²	24	48.5 Å²	48.5	17%	0.168	24%	0.24	C	C	.	.	S	Bend	trans	-122.2	157.6	169.8	67.3	0	0	0	0	109.8	I68 Q127 T131 A132 I133	I68-S129 VanDerWaalsContact CG2-C 3.49Å; Q127-S129 PolarHBondContact O-N 3.17Å; S129-T131 VanDerWaalsContact C-N 3.29Å; S129-T131 PolarHBondContact O-N 2.91Å; S129-T131 PolarHBondContact OG-OG1 2.86Å; S129-A132 PolarHBondContact O-N 3.17Å; S129-A132 VanDerWaalsContact OG-CB 3.26Å; S129-A132 WeakPolarHBondContact OG-CB 3.37Å; S129-A132 PolarHBondContact OG-N 3.4Å; S129-I133 WeakPolarHBondContact O-CG1 3.28Å; S129-I133 PolarHBondContact O-N 3.35Å; S129-I133 VanDerWaalsContact O-N 3.1Å
130	V	97.6	Very high	94.4	Very high	23 Å²	23	45.4 Å²	45.4	14%	0.139	23%	0.225	C	C	.	.	H	α-helix	trans	-55.4	-48.6	179.2	175.5	0	0	0	0	110.6	I68 E71 A72 I75 I133 A134	I68-V130 HydrophobicContact CG2-CG2 3.93Å; E71-V130 HydrophobicContact CB-CG1 4.36Å; E71-V130 HydrophobicContact CB-CG2 3.86Å; E71-V130 HydrophobicContact CG-CG1 3.98Å; E71-V130 HydrophobicContact CG-CG2 3.96Å; A72-V130 HydrophobicContact CB-CG1 4.38Å; I75-V130 HydrophobicContact CD1-CG1 3.38Å; V130-I133 PolarHBondContact O-N 2.02Å; V130-A134 WeakPolarHBondContact O-CB 3.43Å; V130-A134 PolarHBondContact O-N 2.86Å
131	T	97.6	Very high	94.4	Very high	92 Å²	92	47.3 Å²	47.3	56%	0.564	23%	0.233	S	C	*	.	H	α-helix	trans	-61	-47.5	180	52.2	0	0	0	0	112.3	S129 I133 A134 D135	S129-T131 VanDerWaalsContact C-N 3.29Å; S129-T131 PolarHBondContact O-N 2.91Å; S129-T131 PolarHBondContact OG-OG1 2.86Å; T131-I133 VanDerWaalsContact C-N 3.33Å; T131-I133 PolarHBondContact O-N 3.04Å; T131-A134 PolarHBondContact O-N 3.3Å; T131-D135 WeakPolarHBondContact O-CB 3.39Å; T131-D135 VanDerWaalsContact O-CG 3.29Å; T131-D135 PolarHBondContact O-N 3.19Å
132	A	97.6	Very high	94.8	Very high	20 Å²	20	47.6 Å²	47.6	17%	0.165	24%	0.242	C	C	.	.	H	α-helix	trans	-68.7	-31.6	-176.1	0	0	0	0	0	112.8	Y124 Q127 S129 F136	Y124-A132 VanDerWaalsContact OH-CB 3.3Å; Y124-A132 WeakPolarHBondContact OH-CB 3.32Å; Y124-A132 PolarHBondContact OH-O 2.88Å; Q127-A132 HydrophobicContact CB-CB 4.03Å; Q127-A132 WeakPolarHBondContact O-CB 3.34Å; S129-A132 PolarHBondContact O-N 3.17Å; S129-A132 VanDerWaalsContact OG-CB 3.26Å; S129-A132 WeakPolarHBondContact OG-CB 3.37Å; S129-A132 PolarHBondContact OG-N 3.4Å; A132-F136 WeakPolarHBondContact O-CB 2.91Å; A132-F136 PolarHBondContact O-N 2.97Å; A132-F136 VanDerWaalsContact O-N 3.14Å
133	I	98.1	Very high	94.8	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-73.3	-44.2	174.1	-66.5	172.2	0	0	0	110.2	L51 L65 I68 F69 A72 F88 Y124 S129 V130 T131 F136 I137	L51-I133 HydrophobicContact CD2-CG2 3.8Å; L65-I133 HydrophobicContact CD1-CD1 4.04Å; I68-I133 HydrophobicContact CG2-CD1 4.15Å; F69-I133 HydrophobicContact CD2-CD1 4.47Å; A72-I133 HydrophobicContact CB-CB 3.92Å; A72-I133 HydrophobicContact CB-CG2 3.71Å; F88-I133 HydrophobicContact CE1-CG2 3.92Å; F88-I133 HydrophobicContact CZ-CG2 4.1Å; Y124-I133 HydrophobicContact CE1-CG1 3.85Å; Y124-I133 PolarHBondContact OH-N 2.79Å; S129-I133 WeakPolarHBondContact O-CG1 3.28Å; S129-I133 PolarHBondContact O-N 3.35Å; S129-I133 VanDerWaalsContact O-N 3.1Å; V130-I133 PolarHBondContact O-N 2.02Å; T131-I133 VanDerWaalsContact C-N 3.33Å; T131-I133 PolarHBondContact O-N 3.04Å; I133-F136 WeakPolarHBondContact O-CB 3.46Å; I133-F136 PolarHBondContact O-N 2.89Å; I133-I137 PolarHBondContact O-N 3.04Å
134	A	96.6	Very high	94.6	Very high	1 Å²	1	47 Å²	47	1%	0.008	25%	0.247	C	C	.	.	H	α-helix	trans	-61.8	-45.8	176.6	0	0	0	0	0	111.7	I75 V76 V130 T131 F136 I137 R138	I75-A134 HydrophobicContact CG2-CB 4.36Å; V76-A134 HydrophobicContact CG2-CB 4.05Å; V130-A134 WeakPolarHBondContact O-CB 3.43Å; V130-A134 PolarHBondContact O-N 2.86Å; T131-A134 PolarHBondContact O-N 3.3Å; A134-F136 VanDerWaalsContact C-N 3.31Å; A134-F136 PolarHBondContact O-N 3.49Å; A134-I137 PolarHBondContact O-N 3.15Å; A134-I137 VanDerWaalsContact O-N 3.15Å; A134-R138 WeakPolarHBondContact O-CG 3.32Å; A134-R138 PolarHBondContact O-N 2.95Å
135	D	97	Very high	94.7	Very high	71 Å²	71	46.1 Å²	46.1	38%	0.38	24%	0.244	S	C	.	.	H	α-helix	trans	-59.9	-41	175.9	-76.3	-31.5	0	0	0	112.2	T131 I137 R138 Q139	T131-D135 WeakPolarHBondContact O-CB 3.39Å; T131-D135 VanDerWaalsContact O-CG 3.29Å; T131-D135 PolarHBondContact O-N 3.19Å; D135-I137 PolarHBondContact O-N 3.17Å; D135-R138 PolarHBondContact O-N 2.94Å; D135-R138 IonicContact OD1-CZ 3.66Å; D135-R138 IonicContact OD1-NH1 3.53Å; D135-R138 PolarHBondContact OD1-NH1 2.79Å; D135-Q139 VanDerWaalsContact O-CG 3.29Å; D135-Q139 WeakPolarHBondContact O-CG 3.43Å; D135-Q139 PolarHBondContact O-N 3.16Å
136	F	95.8	Very high	94.7	Very high	32 Å²	32	50.2 Å²	50.2	14%	0.14	26%	0.263	C	S	.	.	H	α-helix	trans	-59.3	-47.6	174.3	173.4	-109.9	0	0	0	111.3	L51 L113 Y124 A132 I133 A134 R138 Q139 Q140	L51-F136 HydrophobicContact CD1-CE1 4.22Å; L113-F136 HydrophobicContact CD1-CE1 4.01Å; L113-F136 HydrophobicContact CD1-CZ 4.47Å; L113-F136 HydrophobicContact CD2-CE1 4.4Å; L113-F136 HydrophobicContact CD2-CZ 4.06Å; Y124-F136 HydrophobicContact CD2-CB 3.9Å; Y124-F136 AromaticContact CD2-CD1 3.55Å; Y124-F136 HydrophobicContact CD2-CD1 3.55Å; Y124-F136 AromaticContact CD2-CD2 3.74Å; Y124-F136 HydrophobicContact CD2-CD2 3.74Å; Y124-F136 AromaticContact CD2-CE1 3.91Å; Y124-F136 HydrophobicContact CD2-CE1 3.91Å; Y124-F136 HydrophobicContact CD2-CE2 4.1Å; Y124-F136 AromaticContact CD2-CG 3.44Å; Y124-F136 HydrophobicContact CD2-CG 3.44Å; Y124-F136 VanDerWaalsContact CD2-CG 3.44Å; Y124-F136 HydrophobicContact CD2-CZ 4.17Å; Y124-F136 HydrophobicContact CE2-CB 3.58Å; Y124-F136 HydrophobicContact CE2-CD1 4.11Å; Y124-F136 HydrophobicContact CE2-CD2 4.13Å; Y124-F136 AromaticContact CE2-CG 3.68Å; Y124-F136 HydrophobicContact CE2-CG 3.68Å; Y124-F136 HydrophobicContact CG-CD1 4.27Å; Y124-F136 HydrophobicContact CG-CE1 4.38Å; A132-F136 WeakPolarHBondContact O-CB 2.91Å; A132-F136 PolarHBondContact O-N 2.97Å; A132-F136 VanDerWaalsContact O-N 3.14Å; I133-F136 WeakPolarHBondContact O-CB 3.46Å; I133-F136 PolarHBondContact O-N 2.89Å; A134-F136 VanDerWaalsContact C-N 3.31Å; A134-F136 PolarHBondContact O-N 3.49Å; F136-R138 PolarHBondContact O-N 3.38Å; F136-Q139 WeakPolarHBondContact O-CB 2.94Å; F136-Q139 PolarHBondContact O-N 2.97Å; F136-Q140 HydrophobicContact CD2-CG 4.32Å; F136-Q140 HydrophobicContact CE1-CG 4.21Å; F136-Q140 HydrophobicContact CE2-CG 4Å; F136-Q140 HydrophobicContact CZ-CG 3.94Å; F136-Q140 VanDerWaalsContact O-CG 3.26Å; F136-Q140 WeakPolarHBondContact O-CG 3.29Å; F136-Q140 PolarHBondContact O-N 2.81Å
137	I	95.6	Very high	94.9	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-60.6	-44.5	176.1	-66.2	-58.8	0	0	0	111.9	V49 L51 V76 V86 F88 L113 I133 A134 D135 Q139 Q140 Q141	V49-I137 HydrophobicContact CG1-CD1 4.45Å; L51-I137 HydrophobicContact CB-CD1 3.99Å; L51-I137 HydrophobicContact CD2-CD1 4.05Å; L51-I137 HydrophobicContact CD2-CG1 4.5Å; V76-I137 HydrophobicContact CG1-CB 4.47Å; V76-I137 HydrophobicContact CG1-CG2 3.69Å; V76-I137 HydrophobicContact CG2-CB 4.1Å; V76-I137 HydrophobicContact CG2-CG1 4.29Å; V76-I137 HydrophobicContact CG2-CG2 4.19Å; V86-I137 HydrophobicContact CG1-CG2 3.87Å; V86-I137 HydrophobicContact CG2-CG2 4.08Å; F88-I137 HydrophobicContact CE2-CD1 4.29Å; F88-I137 HydrophobicContact CE2-CG1 3.97Å; F88-I137 HydrophobicContact CZ-CD1 4.33Å; F88-I137 HydrophobicContact CZ-CG1 3.8Å; L113-I137 HydrophobicContact CD1-CD1 4.31Å; I133-I137 PolarHBondContact O-N 3.04Å; A134-I137 PolarHBondContact O-N 3.15Å; A134-I137 VanDerWaalsContact O-N 3.15Å; D135-I137 PolarHBondContact O-N 3.17Å; I137-Q139 VanDerWaalsContact C-N 3.29Å; I137-Q139 PolarHBondContact O-N 3.21Å; I137-Q140 CarbonylContact O-C 3.46Å; I137-Q140 WeakPolarHBondContact O-CA 3.41Å; I137-Q140 WeakPolarHBondContact O-CB 3.34Å; I137-Q140 PolarHBondContact O-N 2.87Å; I137-Q141 HydrophobicContact CG2-CG 4.39Å; I137-Q141 WeakPolarHBondContact O-CG 3.4Å; I137-Q141 PolarHBondContact O-N 3.49Å
138	R	94.8	Very high	94.9	Very high	80 Å²	80	45.6 Å²	45.6	30%	0.302	23%	0.232	S	C	.	.	H	α-helix	trans	-56.2	-45	176.5	-68.6	174.5	-166.2	124	3.2	111.3	E79 F80 A134 D135 F136 Q140 Q141 V142	E79-R138 IonicContact OE1-CZ 3.47Å; E79-R138 IonicContact OE1-NE 3.89Å; E79-R138 PolarHBondContact OE1-NE 2.88Å; E79-R138 IonicContact OE1-NH2 3.72Å; E79-R138 PolarHBondContact OE1-NH2 3.34Å; E79-R138 IonicContact OE2-CZ 2.64Å; E79-R138 IonicContact OE2-NE 3.64Å; E79-R138 PolarHBondContact OE2-NE 3.16Å; E79-R138 IonicContact OE2-NH2 3.29Å; E79-R138 PolarHBondContact OE2-NH2 3.36Å; F80-R138 HydrophobicContact CE2-CG 4.31Å; A134-R138 WeakPolarHBondContact O-CG 3.32Å; A134-R138 PolarHBondContact O-N 2.95Å; D135-R138 PolarHBondContact O-N 2.94Å; D135-R138 IonicContact OD1-CZ 3.66Å; D135-R138 IonicContact OD1-NH1 3.53Å; D135-R138 PolarHBondContact OD1-NH1 2.79Å; F136-R138 PolarHBondContact O-N 3.38Å; R138-Q140 VanDerWaalsContact C-N 3.28Å; R138-Q140 PolarHBondContact O-N 3.42Å; R138-Q141 PolarHBondContact O-N 3.03Å; R138-Q141 VanDerWaalsContact O-N 3.1Å; R138-V142 PolarHBondContact O-N 3.45Å
139	Q	91.9	Very high	94.9	Very high	116 Å²	116	49.1 Å²	49.1	54%	0.542	25%	0.251	S	S	.	.	H	α-helix	trans	-61.8	-37.6	175.7	-69.9	169.9	16	0	0	111.8	D135 F136 I137 Q141 V142 R187	D135-Q139 VanDerWaalsContact O-CG 3.29Å; D135-Q139 WeakPolarHBondContact O-CG 3.43Å; D135-Q139 PolarHBondContact O-N 3.16Å; F136-Q139 WeakPolarHBondContact O-CB 2.94Å; F136-Q139 PolarHBondContact O-N 2.97Å; I137-Q139 VanDerWaalsContact C-N 3.29Å; I137-Q139 PolarHBondContact O-N 3.21Å; Q139-Q141 VanDerWaalsContact C-N 3.31Å; Q139-Q141 PolarHBondContact O-N 2.9Å; Q139-V142 WeakPolarHBondContact O-CB 3.31Å; Q139-V142 PolarHBondContact O-N 3.02Å; Q139-R187 PolarHBondContact O-NH2 3.34Å
140	Q	91.2	Very high	94.8	Very high	8 Å²	8	50 Å²	50	4%	0.037	26%	0.257	C	S	.	.	H	α-helix	trans	-70.6	-24.3	175.9	-63.5	-58.4	-39.7	0	0	112.6	L113 R115 F136 I137 R138 V142 R187	L113-Q140 HydrophobicContact CD2-CB 4.18Å; L113-Q140 VanDerWaalsContact CD2-CD 3.45Å; L113-Q140 HydrophobicContact CD2-CG 3.52Å; L113-Q140 VanDerWaalsContact CD2-OE1 3.25Å; R115-Q140 PolarHBondContact NH1-O 3.17Å; R115-Q140 PolarHBondContact NH2-O 3.15Å; F136-Q140 HydrophobicContact CD2-CG 4.32Å; F136-Q140 HydrophobicContact CE1-CG 4.21Å; F136-Q140 HydrophobicContact CE2-CG 4Å; F136-Q140 HydrophobicContact CZ-CG 3.94Å; F136-Q140 VanDerWaalsContact O-CG 3.26Å; F136-Q140 WeakPolarHBondContact O-CG 3.29Å; F136-Q140 PolarHBondContact O-N 2.81Å; I137-Q140 CarbonylContact O-C 3.46Å; I137-Q140 WeakPolarHBondContact O-CA 3.41Å; I137-Q140 WeakPolarHBondContact O-CB 3.34Å; I137-Q140 PolarHBondContact O-N 2.87Å; R138-Q140 VanDerWaalsContact C-N 3.28Å; R138-Q140 PolarHBondContact O-N 3.42Å; Q140-V142 VanDerWaalsContact C-N 3.28Å; Q140-V142 PolarHBondContact O-N 3.32Å; Q140-R187 PolarHBondContact O-NH1 3.27Å
141	Q	90.3	Very high	94.5	Very high	50 Å²	50	51.1 Å²	51.1	23%	0.234	26%	0.261	C	S	.	.	H	α-helix	trans	-77	-13.1	174.3	-68.2	-63.4	-55.8	0	0	113.6	F80 V86 I137 R138 Q139 D143	F80-Q141 HydrophobicContact CD1-CG 4.24Å; F80-Q141 HydrophobicContact CE1-CB 3.98Å; F80-Q141 HydrophobicContact CE1-CG 3.73Å; F80-Q141 HydrophobicContact CE2-CG 4.13Å; F80-Q141 HydrophobicContact CZ-CB 3.95Å; F80-Q141 HydrophobicContact CZ-CG 3.67Å; V86-Q141 HydrophobicContact CG2-CG 4.22Å; I137-Q141 HydrophobicContact CG2-CG 4.39Å; I137-Q141 WeakPolarHBondContact O-CG 3.4Å; I137-Q141 PolarHBondContact O-N 3.49Å; R138-Q141 PolarHBondContact O-N 3.03Å; R138-Q141 VanDerWaalsContact O-N 3.1Å; Q139-Q141 VanDerWaalsContact C-N 3.31Å; Q139-Q141 PolarHBondContact O-N 2.9Å; Q141-D143 PolarHBondContact O-N 3.02Å
142	V	89.6	Confident	94.3	Very high	91 Å²	91	53.5 Å²	53.5	55%	0.552	27%	0.266	S	S	*	.	S	Bend	trans	-69.4	130.9	174.1	-176.7	0	0	0	0	110	R138 Q139 Q140 R187	R138-V142 PolarHBondContact O-N 3.45Å; Q139-V142 WeakPolarHBondContact O-CB 3.31Å; Q139-V142 PolarHBondContact O-N 3.02Å; Q140-V142 VanDerWaalsContact C-N 3.28Å; Q140-V142 PolarHBondContact O-N 3.32Å; V142-R187 PolarHBondContact O-NH1 3.33Å; V142-R187 VanDerWaalsContact O-NH1 3.11Å
143	D	88.6	Confident	94.1	Very high	72 Å²	72	54.9 Å²	54.9	39%	0.385	27%	0.269	S	S	.	.			trans	-52.6	121.2	173.6	-173.3	-16.7	0	0	0	109.5	Q141 V145 K171	Q141-D143 PolarHBondContact O-N 3.02Å; D143-V145 PolarHBondContact O-N 3.12Å; D143-V145 PolarHBondContact OD1-N 3.3Å; D143-K171 IonicContact OD2-NZ 3.56Å
144	P	90.1	Very high	93.8	Very high	23 Å²	23	55.1 Å²	55.1	15%	0.149	27%	0.271	C	S	.	.	S	Bend	trans	-69.2	-15.5	179.9	31	-37.9	0	0	0	113.1	A183 N184 R187	P144-A183 HydrophobicContact CB-CB 4.28Å; P144-A183 HydrophobicContact CG-CB 4.19Å; P144-N184 HydrophobicContact CG-CB 4.39Å; P144-R187 HydrophobicContact CB-CB 3.94Å
145	V	96.5	Very high	93.3	Very high	5 Å²	5	61.2 Å²	61.2	3%	0.03	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	112.2	-177.6	-175.7	0	0	0	0	110.2	D143 E147 Y176 Y179 A183 F192 A194	D143-V145 PolarHBondContact O-N 3.12Å; D143-V145 PolarHBondContact OD1-N 3.3Å; V145-E147 PolarHBondContact O-N 3.08Å; V145-Y176 HydrophobicContact CG1-CE2 4.24Å; V145-Y179 HydrophobicContact CG1-CE1 3.9Å; V145-Y179 HydrophobicContact CG2-CD1 4.28Å; V145-Y179 HydrophobicContact CG2-CE1 4Å; V145-A183 HydrophobicContact CG2-CB 3.46Å; V145-A183 VanDerWaalsContact CG2-CB 3.46Å; V145-F192 HydrophobicContact CG2-CB 4.2Å; V145-A194 HydrophobicContact CG1-CB 3.51Å
146	K	96.1	Very high	93.1	Very high	119 Å²	119	62.8 Å²	62.8	52%	0.517	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	121.5	171.6	-174.5	-169.2	168.5	-154.3	0	110.4	E153 F192 S193 A194	K146-E153 IonicContact NZ-OE2 3.47Å; K146-E153 PolarHBondContact NZ-OE2 3.19Å; K146-F192 PolarHBondContact N-O 2.88Å; K146-S193 CarbonylContact O-C 3.28Å; K146-S193 WeakPolarHBondContact O-CA 3.31Å; K146-S193 VanDerWaalsContact O-CB 3.31Å; K146-S193 WeakPolarHBondContact O-CB 3.4Å; K146-A194 PolarHBondContact O-N 3.14Å
147	E	96.9	Very high	92.9	Very high	76 Å²	76	62.6 Å²	62.6	36%	0.355	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	135.2	171.3	-168.3	170.2	151.3	0	0	111.2	V145 H149 A194 F196	V145-E147 PolarHBondContact O-N 3.08Å; E147-H149 IonicContact OE1-CE1 2.9Å; E147-H149 PolarHBondContact OE1-CE1 2.91Å; E147-H149 IonicContact OE1-ND1 3.58Å; E147-A194 CarbonylContact C-O 3.52Å; E147-A194 WeakPolarHBondContact CA-O 3.46Å; E147-F196 HydrophobicContact CG-CD2 3.89Å; E147-F196 HydrophobicContact CG-CE2 3.87Å
148	I	96.9	Very high	92.8	Very high	4 Å²	4	66 Å²	66	2%	0.021	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	123	178.5	-66.2	-178.3	0	0	0	107.9	S150 E153 V154 I165 A194 A195 V199	I148-S150 WeakPolarHBondContact CG2-O 3.38Å; I148-E153 HydrophobicContact CG2-CB 4.2Å; I148-V154 HydrophobicContact CD1-CG2 3.78Å; I148-V154 HydrophobicContact CG2-CG2 3.93Å; I148-I165 HydrophobicContact CD1-CG2 3.84Å; I148-A194 PolarHBondContact N-O 2.99Å; I148-A195 HydrophobicContact CB-CB 4.05Å; I148-A195 HydrophobicContact CG2-CB 4.22Å; I148-V199 HydrophobicContact CG2-CG1 4.44Å
149	H	96.1	Very high	92.6	Very high	124 Å²	124	63.8 Å²	63.8	57%	0.574	33%	0.325	S	S	*	.			trans	-101.4	-11	-177.7	-58.9	-59.9	0	0	0	113.2	E147 E153 V199	E147-H149 IonicContact OE1-CE1 2.9Å; E147-H149 PolarHBondContact OE1-CE1 2.91Å; E147-H149 IonicContact OE1-ND1 3.58Å; H149-E153 PolarHBondContact N-OE1 3.36Å; H149-V199 WeakPolarHBondContact O-CG2 3.47Å
150	S	95.6	Very high	92.4	Very high	44 Å²	44	62.2 Å²	62.2	31%	0.308	33%	0.327	S	S	.	.	S	Bend	trans	-151.7	154	174.7	72.6	0	0	0	0	112.5	I148 E152 E153	I148-S150 WeakPolarHBondContact CG2-O 3.38Å; S150-E152 PolarHBondContact O-N 2.84Å; S150-E153 WeakPolarHBondContact O-CB 3.32Å; S150-E153 PolarHBondContact O-N 3.29Å; S150-E153 VanDerWaalsContact O-N 3.17Å
151	M	91.3	Very high	92.5	Very high	45 Å²	45	67.2 Å²	67.2	22%	0.222	35%	0.349	C	S	.	.	H	α-helix	trans	-66.8	-16.1	175.4	-67.4	-54.6	-63.6	0	0	113.4	E153 V154 N155 Y167 E203	M151-E153 VanDerWaalsContact C-N 3.31Å; M151-V154 HydrophobicContact CE-CB 4.2Å; M151-V154 HydrophobicContact CE-CG1 4.34Å; M151-V154 HydrophobicContact CE-CG2 3.97Å; M151-V154 WeakPolarHBondContact O-CB 3.48Å; M151-V154 PolarHBondContact O-N 2.83Å; M151-V154 HydrophobicContact SD-CG2 4.06Å; M151-N155 PolarHBondContact O-N 2.74Å; M151-N155 PolarHBondContact O-ND2 3.18Å; M151-Y167 HydrophobicContact CE-CE1 4.31Å; M151-Y167 HydrophobicContact SD-CE1 4.33Å; M151-E203 HydrophobicContact CE-CG 3.61Å; M151-E203 WeakPolarHBondContact CE-OE1 3.35Å; M151-E203 HydrophobicContact SD-CG 4.3Å
152	E	92.7	Very high	92.6	Very high	143 Å²	143	68 Å²	68	67%	0.668	35%	0.35	S	S	*	.	H	α-helix	trans	-65	-35.7	172.6	-171.6	175.2	-179.9	0	0	111.8	S150 V154 N155 T156	S150-E152 PolarHBondContact O-N 2.84Å; E152-V154 VanDerWaalsContact C-N 3.31Å; E152-V154 PolarHBondContact O-N 3.48Å; E152-N155 PolarHBondContact O-N 3.05Å; E152-T156 WeakPolarHBondContact O-CG2 3.34Å; E152-T156 PolarHBondContact O-N 3.09Å; E152-T156 PolarHBondContact O-OG1 2.95Å
153	E	94.6	Very high	93	Very high	48 Å²	48	63.9 Å²	63.9	22%	0.224	32%	0.324	C	S	.	.	H	α-helix	trans	-66.2	-32.7	175	-68.3	-174.9	-110.9	0	0	112.5	K146 I148 H149 S150 M151 N155 T156 I157	K146-E153 IonicContact NZ-OE2 3.47Å; K146-E153 PolarHBondContact NZ-OE2 3.19Å; I148-E153 HydrophobicContact CG2-CB 4.2Å; H149-E153 PolarHBondContact N-OE1 3.36Å; S150-E153 WeakPolarHBondContact O-CB 3.32Å; S150-E153 PolarHBondContact O-N 3.29Å; S150-E153 VanDerWaalsContact O-N 3.17Å; M151-E153 VanDerWaalsContact C-N 3.31Å; E153-N155 VanDerWaalsContact C-N 3.33Å; E153-T156 WeakPolarHBondContact CA-OG1 3.46Å; E153-I157 PolarHBondContact O-N 2.92Å
154	V	90.8	Very high	93.5	Very high	6 Å²	6	60.5 Å²	60.5	4%	0.036	31%	0.306	C	S	.	.	H	α-helix	trans	-65.6	-41.1	173.6	178.6	0	0	0	0	110.2	I148 M151 E152 T156 I157 I165 Y167	I148-V154 HydrophobicContact CD1-CG2 3.78Å; I148-V154 HydrophobicContact CG2-CG2 3.93Å; M151-V154 HydrophobicContact CE-CB 4.2Å; M151-V154 HydrophobicContact CE-CG1 4.34Å; M151-V154 HydrophobicContact CE-CG2 3.97Å; M151-V154 WeakPolarHBondContact O-CB 3.48Å; M151-V154 PolarHBondContact O-N 2.83Å; M151-V154 HydrophobicContact SD-CG2 4.06Å; E152-V154 VanDerWaalsContact C-N 3.31Å; E152-V154 PolarHBondContact O-N 3.48Å; V154-T156 VanDerWaalsContact C-N 3.32Å; V154-I157 VanDerWaalsContact O-CG2 3.27Å; V154-I157 WeakPolarHBondContact O-CG2 3.35Å; V154-I165 HydrophobicContact CG1-CD1 4Å; V154-Y167 WeakPolarHBondContact CG1-OH 3.33Å; V154-Y167 HydrophobicContact CG2-CE1 4.43Å
155	N	87.5	Confident	93.8	Very high	129 Å²	129	59.4 Å²	59.4	69%	0.69	30%	0.299	S	S	*	.	H	α-helix	trans	-73.4	-24.3	-178.3	-66.1	-29.2	0	0	0	113.1	M151 E152 E153	M151-N155 PolarHBondContact O-N 2.74Å; M151-N155 PolarHBondContact O-ND2 3.18Å; E152-N155 PolarHBondContact O-N 3.05Å; E153-N155 VanDerWaalsContact C-N 3.33Å
156	T	91.5	Very high	93.9	Very high	104 Å²	104	59.1 Å²	59.1	64%	0.638	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.9	10.9	-178.9	53.4	0	0	0	0	113	E152 E153 V154	E152-T156 WeakPolarHBondContact O-CG2 3.34Å; E152-T156 PolarHBondContact O-N 3.09Å; E152-T156 PolarHBondContact O-OG1 2.95Å; E153-T156 WeakPolarHBondContact CA-OG1 3.46Å; V154-T156 VanDerWaalsContact C-N 3.32Å
157	I	92.8	Very high	94	Very high	28 Å²	28	53.6 Å²	53.6	14%	0.144	27%	0.274	C	S	.	.			trans	-62.7	142.1	-179	-157.7	168.3	0	0	0	111.2	E153 V154 R159 N163 I165 K213	E153-I157 PolarHBondContact O-N 2.92Å; V154-I157 VanDerWaalsContact O-CG2 3.27Å; V154-I157 WeakPolarHBondContact O-CG2 3.35Å; I157-R159 PolarHBondContact O-N 3Å; I157-N163 HydrophobicContact CD1-CB 3.79Å; I157-N163 WeakPolarHBondContact CD1-OD1 3.21Å; I157-I165 HydrophobicContact CD1-CD1 3.79Å; I157-I165 HydrophobicContact CD1-CG1 4.2Å; I157-K213 HydrophobicContact CG2-CD 4.01Å
158	D	92.4	Very high	94.1	Very high	71 Å²	71	50 Å²	50	38%	0.38	26%	0.257	S	S	.	.			trans	-64.8	101.2	-178.9	176.9	12.7	0	0	0	111.6	S160 K161 N163	D158-S160 PolarHBondContact O-N 2.87Å; D158-S160 WeakPolarHBondContact OD1-CB 3.42Å; D158-S160 PolarHBondContact OD1-N 2.9Å; D158-S160 PolarHBondContact OD1-OG 2.77Å; D158-S160 PolarHBondContact OD2-OG 2.83Å; D158-S160 VanDerWaalsContact OD2-OG 3.1Å; D158-K161 PolarHBondContact O-N 2.84Å; D158-K161 WeakPolarHBondContact OD2-CD 3.33Å; D158-K161 WeakPolarHBondContact OD2-CE 3.17Å; D158-K161 IonicContact OD2-NZ 3.75Å; D158-N163 PolarHBondContact O-ND2 2.71Å
159	R	91.1	Very high	94.1	Very high	33 Å²	33	54.8 Å²	54.8	13%	0.125	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	2.7	177.3	-60.3	-60.4	-67.2	-105.8	2.2	113.9	I157 P214 V215 G216 E217 V219 D221	I157-R159 PolarHBondContact O-N 3Å; R159-P214 PolarHBondContact NE-O 3.02Å; R159-P214 PolarHBondContact NH2-O 3.2Å; R159-P214 VanDerWaalsContact NH2-O 3.15Å; R159-V215 WeakPolarHBondContact O-CA 3.34Å; R159-G216 PolarHBondContact NH2-O 2.92Å; R159-G216 VanDerWaalsContact NH2-O 3.16Å; R159-G216 PolarHBondContact O-N 2.59Å; R159-E217 WeakPolarHBondContact CB-OE1 3.44Å; R159-E217 VanDerWaalsContact CG-OE1 3.32Å; R159-E217 WeakPolarHBondContact CG-OE1 3.5Å; R159-V219 PolarHBondContact NH2-O 2.73Å; R159-V219 VanDerWaalsContact NH2-O 3.16Å; R159-D221 IonicContact NH1-OD1 2.75Å
160	S	88.8	Confident	94.1	Very high	84 Å²	84	54.2 Å²	54.2	59%	0.587	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-14.9	166.2	77.2	0	0	0	0	112.2	D158	D158-S160 PolarHBondContact O-N 2.87Å; D158-S160 WeakPolarHBondContact OD1-CB 3.42Å; D158-S160 PolarHBondContact OD1-N 2.9Å; D158-S160 PolarHBondContact OD1-OG 2.77Å; D158-S160 PolarHBondContact OD2-OG 2.83Å; D158-S160 VanDerWaalsContact OD2-OG 3.1Å
161	K	91.3	Very high	94.1	Very high	112 Å²	112	56.3 Å²	56.3	49%	0.487	28%	0.28	S	S	.	.	S	Bend	trans	-114.2	161.3	179.8	-63.1	178.4	-172.8	174.5	0	111.6	D158 N163	D158-K161 PolarHBondContact O-N 2.84Å; D158-K161 WeakPolarHBondContact OD2-CD 3.33Å; D158-K161 WeakPolarHBondContact OD2-CE 3.17Å; D158-K161 IonicContact OD2-NZ 3.75Å; K161-N163 PolarHBondContact O-ND2 2.71Å
162	R	94.4	Very high	94.3	Very high	68 Å²	68	60 Å²	60	26%	0.257	30%	0.301	S	S	.	.			trans	-77.6	123.9	168.7	-67.9	-175	-169.8	80.1	12.3	108.4	T191 Y212 V215 K241	R162-T191 PolarHBondContact O-N 2.85Å; R162-Y212 HydrophobicContact CB-CE2 3.96Å; R162-Y212 HydrophobicContact CG-CE2 4.25Å; R162-V215 HydrophobicContact CG-CG2 3.85Å; R162-K241 WeakPolarHBondContact CD-O 3.49Å
163	N	97.1	Very high	94.5	Very high	3 Å²	3	54 Å²	54	2%	0.016	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	131.1	-178.8	-60.5	-85.5	0	0	0	110.1	I157 D158 K161 T191 Y212 K213	I157-N163 HydrophobicContact CD1-CB 3.79Å; I157-N163 WeakPolarHBondContact CD1-OD1 3.21Å; D158-N163 PolarHBondContact O-ND2 2.71Å; K161-N163 PolarHBondContact O-ND2 2.71Å; N163-T191 WeakPolarHBondContact CA-O 3.45Å; N163-T191 VanDerWaalsContact OD1-CB 3.31Å; N163-T191 WeakPolarHBondContact OD1-CB 3.44Å; N163-Y212 WeakPolarHBondContact O-CA 3.35Å; N163-Y212 WeakPolarHBondContact O-CD2 3.49Å; N163-K213 HydrophobicContact CB-CB 4.29Å; N163-K213 PolarHBondContact N-O 2.77Å; N163-K213 PolarHBondContact O-N 3.45Å
164	I	98.1	Very high	94.7	Very high	1 Å²	1	57.4 Å²	57.4	1%	0.005	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	129.1	165.1	-63	-174.7	0	0	0	107.3	Y179 T191 F192 S193 V210 I211 Y212 W237 A238 C242	I164-Y179 HydrophobicContact CG2-CE2 3.64Å; I164-Y179 PolarHBondContact O-OH 2.98Å; I164-T191 PolarHBondContact N-O 3.31Å; I164-F192 HydrophobicContact CB-CD1 3.88Å; I164-F192 HydrophobicContact CB-CE1 3.83Å; I164-F192 HydrophobicContact CD1-CE1 3.73Å; I164-F192 HydrophobicContact CD1-CZ 3.92Å; I164-F192 HydrophobicContact CG1-CE1 4.24Å; I164-F192 HydrophobicContact CG2-CD1 4.11Å; I164-F192 HydrophobicContact CG2-CE1 4.04Å; I164-F192 WeakPolarHBondContact O-CA 3.48Å; I164-S193 PolarHBondContact O-N 3.27Å; I164-V210 HydrophobicContact CG2-CG1 3.45Å; I164-V210 VanDerWaalsContact CG2-CG1 3.45Å; I164-I211 WeakPolarHBondContact CA-O 3.4Å; I164-Y212 HydrophobicContact CG1-CD2 3.99Å; I164-W237 HydrophobicContact CD1-CZ3 4.25Å; I164-W237 HydrophobicContact CG2-CZ3 4.47Å; I164-A238 HydrophobicContact CD1-CB 3.69Å; I164-C242 WeakPolarHBondContact CD1-SG 3.45Å
165	I	98.2	Very high	95	Very high	0 Å²	0	59 Å²	59	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	124.3	-179.2	-51.4	178.6	0	0	0	108.5	I148 V154 I157 Y167 S193 V210 I211 K213	I148-I165 HydrophobicContact CD1-CG2 3.84Å; V154-I165 HydrophobicContact CG1-CD1 4Å; I157-I165 HydrophobicContact CD1-CD1 3.79Å; I157-I165 HydrophobicContact CD1-CG1 4.2Å; I165-Y167 HydrophobicContact CB-CE2 4.43Å; I165-Y167 HydrophobicContact CG2-CE1 3.96Å; I165-Y167 HydrophobicContact CG2-CE2 3.98Å; I165-S193 WeakPolarHBondContact CA-O 3.43Å; I165-V210 WeakPolarHBondContact O-CA 3.48Å; I165-I211 HydrophobicContact CB-CD1 4.43Å; I165-I211 HydrophobicContact CB-CG1 3.91Å; I165-I211 PolarHBondContact N-O 2.9Å; I165-I211 PolarHBondContact O-N 3.47Å; I165-K213 HydrophobicContact CD1-CD 3.8Å; I165-K213 HydrophobicContact CD1-CG 4.36Å
166	G	98.1	Very high	95.5	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	134.8	173.2	0	0	0	0	0	112	F168 Y179 S193 A194 A195	G166-F168 VanDerWaalsContact CA-CE2 3.46Å; G166-Y179 PolarHBondContact N-OH 2.87Å; G166-S193 PolarHBondContact N-O 3.42Å; G166-A194 CarbonylContact O-C 3.56Å; G166-A194 WeakPolarHBondContact O-CA 3.25Å; G166-A195 PolarHBondContact O-N 3.42Å
167	Y	98.2	Very high	95.6	Very high	2 Å²	2	52.1 Å²	52.1	1%	0.008	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	111.4	175	-60.6	-76	0	0	0	107.9	M151 V154 I165 A195 E203 R204 D208 N209 I211	M151-Y167 HydrophobicContact CE-CE1 4.31Å; M151-Y167 HydrophobicContact SD-CE1 4.33Å; V154-Y167 WeakPolarHBondContact CG1-OH 3.33Å; V154-Y167 HydrophobicContact CG2-CE1 4.43Å; I165-Y167 HydrophobicContact CB-CE2 4.43Å; I165-Y167 HydrophobicContact CG2-CE1 3.96Å; I165-Y167 HydrophobicContact CG2-CE2 3.98Å; Y167-A195 HydrophobicContact CD1-CB 3.92Å; Y167-A195 HydrophobicContact CE1-CB 4.27Å; Y167-E203 HydrophobicContact CD1-CB 3.75Å; Y167-E203 HydrophobicContact CD1-CG 3.93Å; Y167-E203 HydrophobicContact CD2-CB 3.9Å; Y167-E203 HydrophobicContact CD2-CG 4.45Å; Y167-E203 HydrophobicContact CE1-CB 4.02Å; Y167-E203 HydrophobicContact CE1-CG 3.69Å; Y167-E203 HydrophobicContact CE2-CB 4.13Å; Y167-E203 HydrophobicContact CE2-CG 4.21Å; Y167-E203 HydrophobicContact CG-CB 3.7Å; Y167-E203 HydrophobicContact CG-CG 4.31Å; Y167-R204 WeakPolarHBondContact O-CD 3.41Å; Y167-D208 VanDerWaalsContact O-CA 3.25Å; Y167-D208 WeakPolarHBondContact O-CA 3.47Å; Y167-N209 WeakPolarHBondContact CD2-OD1 3.23Å; Y167-N209 PolarHBondContact N-O 3.2Å; Y167-N209 PolarHBondContact O-N 2.68Å; Y167-N209 VanDerWaalsContact O-N 3.07Å; Y167-I211 HydrophobicContact CE2-CD1 3.74Å; Y167-I211 HydrophobicContact CE2-CG1 3.83Å; Y167-I211 HydrophobicContact CE2-CG2 4.32Å
168	F	98.4	Very high	95.8	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	151.7	-175.7	-53.7	-82	0	0	0	111.6	G166 N175 Y176 Y179 A194 A195 F196 G197 S200 R204 D208 V210 L228	G166-F168 VanDerWaalsContact CA-CE2 3.46Å; F168-N175 HydrophobicContact CD1-CB 4.02Å; F168-N175 HydrophobicContact CE1-CB 4.05Å; F168-Y176 AromaticContact CD2-CD2 3.72Å; F168-Y176 HydrophobicContact CD2-CD2 3.72Å; F168-Y176 AromaticContact CE2-CD2 3.66Å; F168-Y176 HydrophobicContact CE2-CD2 3.66Å; F168-Y176 HydrophobicContact CE2-CE2 4.38Å; F168-Y176 HydrophobicContact CG-CD2 4.32Å; F168-Y176 HydrophobicContact CZ-CD2 4.23Å; F168-Y179 AromaticContact CE2-CD1 3.8Å; F168-Y179 HydrophobicContact CE2-CD1 3.8Å; F168-Y179 HydrophobicContact CE2-CE1 4.19Å; F168-Y179 HydrophobicContact CE2-CG 4.02Å; F168-Y179 AromaticContact CZ-CD1 3.8Å; F168-Y179 HydrophobicContact CZ-CD1 3.8Å; F168-Y179 AromaticContact CZ-CD2 3.99Å; F168-Y179 HydrophobicContact CZ-CD2 3.99Å; F168-Y179 HydrophobicContact CZ-CE1 4.47Å; F168-Y179 AromaticContact CZ-CG 3.52Å; F168-Y179 HydrophobicContact CZ-CG 3.52Å; F168-A194 HydrophobicContact CD2-CB 4.14Å; F168-A194 HydrophobicContact CE2-CB 4.05Å; F168-A195 PolarHBondContact N-O 3.45Å; F168-F196 HydrophobicContact CB-CD1 3.8Å; F168-F196 HydrophobicContact CB-CE1 3.91Å; F168-F196 HydrophobicContact CD2-CD1 4.43Å; F168-F196 AromaticContact CD2-CE1 3.85Å; F168-F196 HydrophobicContact CD2-CE1 3.85Å; F168-F196 HydrophobicContact CG-CE1 4.23Å; F168-F196 VanDerWaalsContact O-CA 3.29Å; F168-F196 WeakPolarHBondContact O-CA 3.41Å; F168-G197 PolarHBondContact O-N 2.98Å; F168-S200 PolarHBondContact O-OG 2.84Å; F168-R204 PolarHBondContact O-NE 3.19Å; F168-D208 WeakPolarHBondContact CA-OD1 3.08Å; F168-D208 HydrophobicContact CD1-CB 4.07Å; F168-V210 HydrophobicContact CZ-CG2 4.13Å; F168-L228 HydrophobicContact CE1-CD1 4.31Å
169	E	97.6	Very high	96.1	Very high	105 Å²	105	48.5 Å²	48.5	49%	0.491	24%	0.24	S	C	.	.	S	Bend	trans	-63.1	-48.5	169.2	-174.6	67.7	-122.1	0	0	110.6	G197 R204 D208	E169-G197 VanDerWaalsContact O-CA 3.23Å; E169-G197 WeakPolarHBondContact O-CA 3.29Å; E169-G197 PolarHBondContact O-N 3.11Å; E169-R204 VanDerWaalsContact CA-CZ 3.46Å; E169-R204 IonicContact OE1-NH2 3.29Å; E169-R204 PolarHBondContact OE1-NH2 3.18Å; E169-R204 IonicContact OE2-CZ 3.14Å; E169-R204 IonicContact OE2-NH1 2.63Å; E169-R204 PolarHBondContact OE2-NH1 3.23Å; E169-R204 IonicContact OE2-NH2 2.81Å; E169-R204 PolarHBondContact OE2-NH2 3.22Å; E169-D208 PolarHBondContact N-OD1 3.47Å
170	Q	96.4	Very high	96.3	Very high	112 Å²	112	49.7 Å²	49.7	52%	0.523	25%	0.248	S	C	.	.			trans	-146.7	151.6	-175	65.1	-174	21.1	0	0	111.5	D172 S173	Q170-D172 PolarHBondContact NE2-O 2.79Å; Q170-S173 PolarHBondContact O-OG 2.65Å
171	K	95.8	Very high	96.4	Very high	88 Å²	88	50.5 Å²	50.5	38%	0.383	24%	0.241	S	C	.	.	S	Bend	trans	-67	-36.1	179.2	-166	170	-175.1	167.1	0	112.2	D143 S173 Y176 F196	D143-K171 IonicContact OD2-NZ 3.56Å; K171-S173 VanDerWaalsContact C-N 3.31Å; K171-S173 PolarHBondContact O-N 3.37Å; K171-S173 VanDerWaalsContact O-N 3.08Å; K171-Y176 HydrophobicContact CD-CE1 4.23Å; K171-Y176 WeakPolarHBondContact CE-OH 3.25Å; K171-Y176 HydrophobicContact CG-CD1 3.77Å; K171-Y176 HydrophobicContact CG-CE1 3.49Å; K171-Y176 VanDerWaalsContact CG-CE1 3.49Å; K171-Y176 HydrophobicContact CG-CG 4.49Å; K171-Y176 WeakPolarHBondContact O-CB 3.36Å; K171-Y176 WeakPolarHBondContact O-CD1 3.32Å; K171-F196 HydrophobicContact CB-CD1 4.14Å; K171-F196 HydrophobicContact CB-CE1 3.87Å; K171-F196 HydrophobicContact CB-CE2 4.49Å; K171-F196 HydrophobicContact CB-CZ 4.04Å; K171-F196 HydrophobicContact CD-CE2 4.37Å; K171-F196 HydrophobicContact CD-CZ 4.27Å; K171-F196 HydrophobicContact CG-CE1 4.11Å; K171-F196 HydrophobicContact CG-CE2 4.4Å; K171-F196 HydrophobicContact CG-CZ 3.87Å
172	D	95.4	Very high	96.5	Very high	123 Å²	123	45.2 Å²	45.2	66%	0.658	22%	0.218	S	C	*	.	S	Bend	trans	-87.3	71.3	176.2	-167.5	27.5	0	0	0	111	Q170 H177	Q170-D172 PolarHBondContact NE2-O 2.79Å; D172-H177 IonicContact OD1-CE1 3.35Å; D172-H177 IonicContact OD1-NE2 3.03Å; D172-H177 PolarHBondContact OD1-NE2 2.71Å
173	S	96.7	Very high	96.6	Very high	17 Å²	17	42 Å²	42	12%	0.119	21%	0.205	C	C	.	.	S	Bend	trans	-136.8	147.5	176.8	64	0	0	0	0	110.8	Q170 K171 N175 Y176 H177	Q170-S173 PolarHBondContact O-OG 2.65Å; K171-S173 VanDerWaalsContact C-N 3.31Å; K171-S173 PolarHBondContact O-N 3.37Å; K171-S173 VanDerWaalsContact O-N 3.08Å; S173-N175 PolarHBondContact O-N 2.98Å; S173-Y176 PolarHBondContact O-N 2.92Å; S173-Y176 WeakPolarHBondContact OG-CB 3.23Å; S173-Y176 PolarHBondContact OG-N 3.1Å; S173-H177 PolarHBondContact O-CD2 2.7Å; S173-H177 PolarHBondContact O-N 3.11Å
174	D	97.2	Very high	96.2	Very high	120 Å²	120	43 Å²	43	64%	0.642	21%	0.21	S	C	*	.	H	α-helix	trans	-56.8	-32.8	176.5	-65.5	-22.2	0	0	0	112.2	T178 T229	D174-T178 WeakPolarHBondContact O-CB 3.44Å; D174-T178 PolarHBondContact O-N 3.45Å; D174-T178 PolarHBondContact O-OG1 3.25Å; D174-T229 HydrophobicContact CB-CG2 4.11Å
175	N	97.8	Very high	95.8	Very high	40 Å²	40	43.4 Å²	43.4	21%	0.214	21%	0.213	C	C	.	.	H	α-helix	trans	-62.3	-49.7	174.5	-67.5	-24	0	0	0	111.4	F168 S173 T178 Y179 D208 L228 T229	F168-N175 HydrophobicContact CD1-CB 4.02Å; F168-N175 HydrophobicContact CE1-CB 4.05Å; S173-N175 PolarHBondContact O-N 2.98Å; N175-T178 PolarHBondContact O-N 3.29Å; N175-Y179 WeakPolarHBondContact O-CB 3.46Å; N175-Y179 PolarHBondContact O-N 3Å; N175-D208 PolarHBondContact ND2-OD2 3.39Å; N175-L228 HydrophobicContact CB-CB 4.02Å; N175-L228 HydrophobicContact CB-CD1 4.4Å; N175-L228 WeakPolarHBondContact OD1-CB 3.4Å; N175-T229 WeakPolarHBondContact OD1-CG2 3.47Å
176	Y	97.8	Very high	95.5	Very high	4 Å²	4	43.5 Å²	43.5	2%	0.016	21%	0.213	C	C	.	.	H	α-helix	trans	-68.1	-41.7	179	179.7	-103.2	0	0	0	111.8	V145 F168 K171 S173 T178 Y179 E180 A194 F196	V145-Y176 HydrophobicContact CG1-CE2 4.24Å; F168-Y176 AromaticContact CD2-CD2 3.72Å; F168-Y176 HydrophobicContact CD2-CD2 3.72Å; F168-Y176 AromaticContact CE2-CD2 3.66Å; F168-Y176 HydrophobicContact CE2-CD2 3.66Å; F168-Y176 HydrophobicContact CE2-CE2 4.38Å; F168-Y176 HydrophobicContact CG-CD2 4.32Å; F168-Y176 HydrophobicContact CZ-CD2 4.23Å; K171-Y176 HydrophobicContact CD-CE1 4.23Å; K171-Y176 WeakPolarHBondContact CE-OH 3.25Å; K171-Y176 HydrophobicContact CG-CD1 3.77Å; K171-Y176 HydrophobicContact CG-CE1 3.49Å; K171-Y176 VanDerWaalsContact CG-CE1 3.49Å; K171-Y176 HydrophobicContact CG-CG 4.49Å; K171-Y176 WeakPolarHBondContact O-CB 3.36Å; K171-Y176 WeakPolarHBondContact O-CD1 3.32Å; S173-Y176 PolarHBondContact O-N 2.92Å; S173-Y176 WeakPolarHBondContact OG-CB 3.23Å; S173-Y176 PolarHBondContact OG-N 3.1Å; Y176-T178 VanDerWaalsContact C-N 3.26Å; Y176-T178 PolarHBondContact O-N 3.06Å; Y176-Y179 HydrophobicContact CD2-CD1 4.22Å; Y176-Y179 HydrophobicContact CE2-CD1 4.18Å; Y176-Y179 CarbonylContact O-C 3.55Å; Y176-Y179 WeakPolarHBondContact O-CA 3.39Å; Y176-Y179 WeakPolarHBondContact O-CB 3.31Å; Y176-Y179 PolarHBondContact O-N 3.41Å; Y176-Y179 VanDerWaalsContact O-N 3.08Å; Y176-E180 HydrophobicContact CE1-CB 4.23Å; Y176-E180 WeakPolarHBondContact O-CB 3.29Å; Y176-E180 PolarHBondContact O-N 3.3Å; Y176-A194 HydrophobicContact CD2-CB 4.47Å; Y176-A194 HydrophobicContact CE2-CB 3.9Å; Y176-F196 AromaticContact CD2-CE1 3.66Å; Y176-F196 HydrophobicContact CD2-CE1 3.66Å; Y176-F196 AromaticContact CD2-CZ 3.69Å; Y176-F196 HydrophobicContact CD2-CZ 3.69Å; Y176-F196 HydrophobicContact CE1-CZ 4.45Å; Y176-F196 AromaticContact CE2-CE1 3.92Å; Y176-F196 HydrophobicContact CE2-CE1 3.92Å; Y176-F196 AromaticContact CE2-CZ 3.42Å; Y176-F196 HydrophobicContact CE2-CZ 3.42Å; Y176-F196 VanDerWaalsContact CE2-CZ 3.42Å; Y176-F196 HydrophobicContact CG-CE1 4.05Å; Y176-F196 HydrophobicContact CG-CZ 4.32Å; Y176-F196 AromaticContact CZ-CZ 3.8Å
177	H	95.1	Very high	95.2	Very high	83 Å²	83	45.9 Å²	45.9	38%	0.384	22%	0.222	S	C	.	.	H	α-helix	trans	-59.4	-39.1	177.1	-70.4	-50.6	0	0	0	111.8	D172 S173 K181	D172-H177 IonicContact OD1-CE1 3.35Å; D172-H177 IonicContact OD1-NE2 3.03Å; D172-H177 PolarHBondContact OD1-NE2 2.71Å; S173-H177 PolarHBondContact O-CD2 2.7Å; S173-H177 PolarHBondContact O-N 3.11Å; H177-K181 WeakPolarHBondContact O-CB 3.3Å; H177-K181 PolarHBondContact O-N 3.48Å
178	T	96.3	Very high	94.7	Very high	20 Å²	20	48.9 Å²	48.9	12%	0.123	24%	0.239	C	C	.	.	H	α-helix	trans	-65.8	-44.7	173.5	-58.4	0	0	0	0	111.6	D174 N175 Y176 K181 V182 L228 F231	D174-T178 WeakPolarHBondContact O-CB 3.44Å; D174-T178 PolarHBondContact O-N 3.45Å; D174-T178 PolarHBondContact O-OG1 3.25Å; N175-T178 PolarHBondContact O-N 3.29Å; Y176-T178 VanDerWaalsContact C-N 3.26Å; Y176-T178 PolarHBondContact O-N 3.06Å; T178-K181 PolarHBondContact O-N 2.86Å; T178-V182 WeakPolarHBondContact O-CG2 3.38Å; T178-V182 PolarHBondContact O-N 3.03Å; T178-V182 VanDerWaalsContact O-N 3.09Å; T178-L228 WeakPolarHBondContact CB-O 3.39Å; T178-L228 WeakPolarHBondContact CG2-O 3.07Å; T178-L228 PolarHBondContact OG1-O 2.82Å; T178-F231 HydrophobicContact CG2-CB 4.12Å; T178-F231 HydrophobicContact CG2-CD2 4.46Å
179	Y	97.6	Very high	94.3	Very high	3 Å²	3	50.4 Å²	50.4	1%	0.012	25%	0.247	C	C	.	.	H	α-helix	trans	-61.6	-45.8	177	178.5	-100.7	0	0	0	112.8	V145 I164 G166 F168 N175 Y176 K181 V182 A183 F192 S193 A194 V210	V145-Y179 HydrophobicContact CG1-CE1 3.9Å; V145-Y179 HydrophobicContact CG2-CD1 4.28Å; V145-Y179 HydrophobicContact CG2-CE1 4Å; I164-Y179 HydrophobicContact CG2-CE2 3.64Å; I164-Y179 PolarHBondContact O-OH 2.98Å; G166-Y179 PolarHBondContact N-OH 2.87Å; F168-Y179 AromaticContact CE2-CD1 3.8Å; F168-Y179 HydrophobicContact CE2-CD1 3.8Å; F168-Y179 HydrophobicContact CE2-CE1 4.19Å; F168-Y179 HydrophobicContact CE2-CG 4.02Å; F168-Y179 AromaticContact CZ-CD1 3.8Å; F168-Y179 HydrophobicContact CZ-CD1 3.8Å; F168-Y179 AromaticContact CZ-CD2 3.99Å; F168-Y179 HydrophobicContact CZ-CD2 3.99Å; F168-Y179 HydrophobicContact CZ-CE1 4.47Å; F168-Y179 AromaticContact CZ-CG 3.52Å; F168-Y179 HydrophobicContact CZ-CG 3.52Å; N175-Y179 WeakPolarHBondContact O-CB 3.46Å; N175-Y179 PolarHBondContact O-N 3Å; Y176-Y179 HydrophobicContact CD2-CD1 4.22Å; Y176-Y179 HydrophobicContact CE2-CD1 4.18Å; Y176-Y179 CarbonylContact O-C 3.55Å; Y176-Y179 WeakPolarHBondContact O-CA 3.39Å; Y176-Y179 WeakPolarHBondContact O-CB 3.31Å; Y176-Y179 PolarHBondContact O-N 3.41Å; Y176-Y179 VanDerWaalsContact O-N 3.08Å; Y179-K181 VanDerWaalsContact C-N 3.31Å; Y179-K181 PolarHBondContact O-N 2.95Å; Y179-V182 PolarHBondContact O-N 3.4Å; Y179-V182 VanDerWaalsContact O-N 3.16Å; Y179-A183 WeakPolarHBondContact O-CB 3.44Å; Y179-A183 PolarHBondContact O-N 2.58Å; Y179-F192 HydrophobicContact CE1-CD1 4.44Å; Y179-F192 HydrophobicContact CE2-CD1 4.06Å; Y179-F192 AromaticContact CZ-CD1 3.8Å; Y179-S193 PolarHBondContact OH-N 3.41Å; Y179-S193 PolarHBondContact OH-O 2.78Å; Y179-A194 HydrophobicContact CE1-CB 4.33Å; Y179-V210 HydrophobicContact CD2-CG1 4.38Å; Y179-V210 HydrophobicContact CD2-CG2 3.77Å; Y179-V210 HydrophobicContact CE2-CG1 3.95Å; Y179-V210 HydrophobicContact CE2-CG2 3.97Å
180	E	95.1	Very high	94.1	Very high	59 Å²	59	46 Å²	46	28%	0.276	23%	0.227	S	C	.	.	H	α-helix	trans	-60.7	-40.9	176.6	-173.8	-169.2	-119.2	0	0	110.8	Y176 V182 A183 N184	Y176-E180 HydrophobicContact CE1-CB 4.23Å; Y176-E180 WeakPolarHBondContact O-CB 3.29Å; Y176-E180 PolarHBondContact O-N 3.3Å; E180-V182 PolarHBondContact O-N 2.95Å; E180-A183 PolarHBondContact O-N 3.47Å; E180-N184 WeakPolarHBondContact O-CB 3.26Å; E180-N184 PolarHBondContact O-N 3.26Å; E180-N184 PolarHBondContact O-ND2 3.44Å
181	K	91.4	Very high	94.1	Very high	101 Å²	101	43 Å²	43	44%	0.439	22%	0.216	S	C	.	.	H	α-helix	trans	-61.5	-42.9	174.4	-169.5	177.9	176.8	-178.9	0	111.8	H177 T178 Y179 N184 I185 F231	H177-K181 WeakPolarHBondContact O-CB 3.3Å; H177-K181 PolarHBondContact O-N 3.48Å; T178-K181 PolarHBondContact O-N 2.86Å; Y179-K181 VanDerWaalsContact C-N 3.31Å; Y179-K181 PolarHBondContact O-N 2.95Å; K181-N184 PolarHBondContact O-N 3.31Å; K181-I185 VanDerWaalsContact O-CD1 3.29Å; K181-I185 WeakPolarHBondContact O-CD1 3.45Å; K181-I185 WeakPolarHBondContact O-CG1 3.46Å; K181-I185 PolarHBondContact O-N 2.89Å; K181-F231 HydrophobicContact CB-CD2 4.4Å; K181-F231 HydrophobicContact CB-CE2 4.26Å; K181-F231 HydrophobicContact CD-CD2 3.73Å; K181-F231 HydrophobicContact CD-CE2 3.66Å; K181-F231 HydrophobicContact CD-CZ 4.4Å; K181-F231 HydrophobicContact CG-CD2 4.12Å; K181-F231 HydrophobicContact CG-CE2 3.7Å
182	V	94.4	Very high	94.2	Very high	1 Å²	1	39 Å²	39	1%	0.006	20%	0.199	C	C	.	.	H	α-helix	trans	-64.7	-45.6	175.3	172.9	0	0	0	0	111.4	T178 Y179 E180 N184 I185 L186 F192 F231 T234 A238	T178-V182 WeakPolarHBondContact O-CG2 3.38Å; T178-V182 PolarHBondContact O-N 3.03Å; T178-V182 VanDerWaalsContact O-N 3.09Å; Y179-V182 PolarHBondContact O-N 3.4Å; Y179-V182 VanDerWaalsContact O-N 3.16Å; E180-V182 PolarHBondContact O-N 2.95Å; V182-N184 VanDerWaalsContact C-N 3.29Å; V182-N184 PolarHBondContact O-N 3.32Å; V182-I185 PolarHBondContact O-N 2.94Å; V182-I185 VanDerWaalsContact O-N 3.1Å; V182-L186 HydrophobicContact CG1-CD1 3.93Å; V182-L186 PolarHBondContact O-N 3.35Å; V182-F192 HydrophobicContact CG1-CE1 4.32Å; V182-F231 HydrophobicContact CG2-CD2 4.06Å; V182-F231 HydrophobicContact CG2-CE2 3.94Å; V182-T234 HydrophobicContact CG2-CG2 4.09Å; V182-A238 HydrophobicContact CG1-CB 3.57Å
183	A	95.1	Very high	94.3	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-58.5	-41.4	177.2	0	0	0	0	0	111.7	P144 V145 Y179 E180 I185 L186 R187 F192	P144-A183 HydrophobicContact CB-CB 4.28Å; P144-A183 HydrophobicContact CG-CB 4.19Å; V145-A183 HydrophobicContact CG2-CB 3.46Å; V145-A183 VanDerWaalsContact CG2-CB 3.46Å; Y179-A183 WeakPolarHBondContact O-CB 3.44Å; Y179-A183 PolarHBondContact O-N 2.58Å; E180-A183 PolarHBondContact O-N 3.47Å; A183-I185 VanDerWaalsContact C-N 3.29Å; A183-I185 PolarHBondContact O-N 3.44Å; A183-L186 PolarHBondContact O-N 2.83Å; A183-R187 WeakPolarHBondContact O-CA 3.39Å; A183-R187 VanDerWaalsContact O-CB 3.29Å; A183-R187 WeakPolarHBondContact O-CB 3.42Å; A183-R187 PolarHBondContact O-N 2.88Å; A183-F192 HydrophobicContact CB-CB 3.72Å; A183-F192 HydrophobicContact CB-CD1 3.55Å; A183-F192 HydrophobicContact CB-CD2 3.92Å; A183-F192 HydrophobicContact CB-CE1 4.13Å; A183-F192 HydrophobicContact CB-CE2 4.46Å; A183-F192 HydrophobicContact CB-CG 3.44Å; A183-F192 VanDerWaalsContact CB-CG 3.44Å
184	N	89.6	Confident	94.4	Very high	23 Å²	23	32.5 Å²	32.5	12%	0.123	16%	0.164	C	C	.	.	H	α-helix	trans	-57.6	-40.3	175.1	-89.3	-68.6	0	0	0	112.8	R115 M120 P144 E180 K181 V182 R187	R115-N184 PolarHBondContact NH1-OD1 3.26Å; M120-N184 VanDerWaalsContact CE-O 3.28Å; M120-N184 WeakPolarHBondContact CE-O 3.21Å; P144-N184 HydrophobicContact CG-CB 4.39Å; E180-N184 WeakPolarHBondContact O-CB 3.26Å; E180-N184 PolarHBondContact O-N 3.26Å; E180-N184 PolarHBondContact O-ND2 3.44Å; K181-N184 PolarHBondContact O-N 3.31Å; V182-N184 VanDerWaalsContact C-N 3.29Å; V182-N184 PolarHBondContact O-N 3.32Å; N184-R187 WeakPolarHBondContact O-CG 3.47Å
185	I	89.3	Confident	94.4	Very high	11 Å²	11	26.8 Å²	26.8	6%	0.056	13%	0.133	C	C	.	.	H	α-helix	trans	-74.5	-40.8	-177.7	-59	152.5	0	0	0	111.3	M118 M120 K181 V182 A183 F231 Y235	M118-I185 HydrophobicContact CE-CD1 3.3Å; M118-I185 HydrophobicContact CE-CG1 3.73Å; M118-I185 HydrophobicContact CE-CG2 4.27Å; M118-I185 HydrophobicContact SD-CD1 3.35Å; M118-I185 WeakPolarHBondContact SD-CD1 3.33Å; M118-I185 HydrophobicContact SD-CG1 3.68Å; M120-I185 VanDerWaalsContact CE-O 3.32Å; M120-I185 WeakPolarHBondContact CE-O 3.34Å; K181-I185 VanDerWaalsContact O-CD1 3.29Å; K181-I185 WeakPolarHBondContact O-CD1 3.45Å; K181-I185 WeakPolarHBondContact O-CG1 3.46Å; K181-I185 PolarHBondContact O-N 2.89Å; V182-I185 PolarHBondContact O-N 2.94Å; V182-I185 VanDerWaalsContact O-N 3.1Å; A183-I185 VanDerWaalsContact C-N 3.29Å; A183-I185 PolarHBondContact O-N 3.44Å; I185-F231 HydrophobicContact CD1-CE2 3.71Å; I185-F231 HydrophobicContact CD1-CZ 3.52Å; I185-Y235 HydrophobicContact CB-CE2 4.19Å; I185-Y235 HydrophobicContact CD1-CD2 4.02Å; I185-Y235 HydrophobicContact CD1-CE2 4.13Å; I185-Y235 HydrophobicContact CG2-CD2 4.5Å; I185-Y235 HydrophobicContact CG2-CE2 3.61Å
186	L	92.3	Very high	94.4	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.01	13%	0.128	C	C	.	.	H	α-helix	trans	-102.6	10.3	-171	-61.9	178.3	0	0	0	113.6	V182 A183 D188 D189 C190 F192 Y235 A238 Q239	V182-L186 HydrophobicContact CG1-CD1 3.93Å; V182-L186 PolarHBondContact O-N 3.35Å; A183-L186 PolarHBondContact O-N 2.83Å; L186-D188 PolarHBondContact O-N 3.46Å; L186-D189 PolarHBondContact O-N 3.01Å; L186-C190 PolarHBondContact O-N 2.96Å; L186-F192 HydrophobicContact CB-CE2 3.76Å; L186-F192 HydrophobicContact CB-CZ 3.72Å; L186-F192 HydrophobicContact CD1-CZ 4.33Å; L186-Y235 HydrophobicContact CD1-CD2 4.43Å; L186-Y235 HydrophobicContact CD1-CE2 4.36Å; L186-Y235 HydrophobicContact CD2-CE2 4.08Å; L186-Y235 HydrophobicContact CG-CE2 4.17Å; L186-A238 HydrophobicContact CD1-CB 3.7Å; L186-Q239 HydrophobicContact CD1-CB 4.29Å
187	R	90.8	Very high	94.4	Very high	50 Å²	50	26.9 Å²	26.9	19%	0.189	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-27.6	-176.5	61.2	178.4	-72.3	157.5	-0.7	114.9	Q139 Q140 V142 P144 A183 N184	Q139-R187 PolarHBondContact O-NH2 3.34Å; Q140-R187 PolarHBondContact O-NH1 3.27Å; V142-R187 PolarHBondContact O-NH1 3.33Å; V142-R187 VanDerWaalsContact O-NH1 3.11Å; P144-R187 HydrophobicContact CB-CB 3.94Å; A183-R187 WeakPolarHBondContact O-CA 3.39Å; A183-R187 VanDerWaalsContact O-CB 3.29Å; A183-R187 WeakPolarHBondContact O-CB 3.42Å; A183-R187 PolarHBondContact O-N 2.88Å; N184-R187 WeakPolarHBondContact O-CG 3.47Å
188	D	88	Confident	94.4	Very high	65 Å²	65	27.5 Å²	27.5	35%	0.348	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-7.1	-179	-57	-37.5	0	0	0	112.9	R122 L186	R122-D188 PolarHBondContact NH2-O 2.92Å; L186-D188 PolarHBondContact O-N 3.46Å
189	D	90.4	Very high	94.4	Very high	32 Å²	32	28.6 Å²	28.6	17%	0.171	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.1	-24.2	-178.2	-59.6	-43.6	0	0	0	112.3	R122 L186 C242 V243	R122-D189 IonicContact CZ-OD1 3.49Å; R122-D189 IonicContact NH2-OD1 2.82Å; R122-D189 PolarHBondContact NH2-OD1 3.03Å; L186-D189 PolarHBondContact O-N 3.01Å; D189-C242 HydrophobicContact CB-CB 4.13Å; D189-V243 HydrophobicContact CB-CG2 4.38Å
190	C	94.1	Very high	94.4	Very high	11 Å²	11	28.4 Å²	28.4	7%	0.074	16%	0.163	C	C	.	.	S	Bend	trans	-144.9	153.7	-179.8	-96.5	0	0	0	0	112.3	L186 F192 C242	L186-C190 PolarHBondContact O-N 2.96Å; C190-F192 HydrophobicContact CB-CD2 4.1Å; C190-F192 HydrophobicContact CB-CE2 3.46Å; C190-F192 VanDerWaalsContact CB-CE2 3.46Å; C190-F192 HydrophobicContact CB-CZ 3.97Å; C190-F192 WeakPolarHBondContact O-CD2 3.26Å; C190-C242 HydrophobicContact CB-CB 3.82Å; C190-C242 WeakPolarHBondContact CB-SG 3.47Å; C190-C242 WeakPolarHBondContact SG-CA 3.15Å; C190-C242 WeakPolarHBondContact SG-CB 3.36Å; C190-C242 CovalentContact SG-SG 2.02Å; C190-C242 PolarHBondContact SG-SG 3.15Å
191	T	96.2	Very high	94.4	Very high	49 Å²	49	28 Å²	28	30%	0.301	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	129.9	164.1	-49.7	0	0	0	0	109.3	R162 N163 I164	R162-T191 PolarHBondContact O-N 2.85Å; N163-T191 WeakPolarHBondContact CA-O 3.45Å; N163-T191 VanDerWaalsContact OD1-CB 3.31Å; N163-T191 WeakPolarHBondContact OD1-CB 3.44Å; I164-T191 PolarHBondContact N-O 3.31Å
192	F	97.8	Very high	94.5	Very high	4 Å²	4	25.9 Å²	25.9	2%	0.018	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	137.3	175.1	-70.1	-98	0	0	0	110.6	V145 K146 I164 Y179 V182 A183 L186 C190	V145-F192 HydrophobicContact CG2-CB 4.2Å; K146-F192 PolarHBondContact N-O 2.88Å; I164-F192 HydrophobicContact CB-CD1 3.88Å; I164-F192 HydrophobicContact CB-CE1 3.83Å; I164-F192 HydrophobicContact CD1-CE1 3.73Å; I164-F192 HydrophobicContact CD1-CZ 3.92Å; I164-F192 HydrophobicContact CG1-CE1 4.24Å; I164-F192 HydrophobicContact CG2-CD1 4.11Å; I164-F192 HydrophobicContact CG2-CE1 4.04Å; I164-F192 WeakPolarHBondContact O-CA 3.48Å; Y179-F192 HydrophobicContact CE1-CD1 4.44Å; Y179-F192 HydrophobicContact CE2-CD1 4.06Å; Y179-F192 AromaticContact CZ-CD1 3.8Å; V182-F192 HydrophobicContact CG1-CE1 4.32Å; A183-F192 HydrophobicContact CB-CB 3.72Å; A183-F192 HydrophobicContact CB-CD1 3.55Å; A183-F192 HydrophobicContact CB-CD2 3.92Å; A183-F192 HydrophobicContact CB-CE1 4.13Å; A183-F192 HydrophobicContact CB-CE2 4.46Å; A183-F192 HydrophobicContact CB-CG 3.44Å; A183-F192 VanDerWaalsContact CB-CG 3.44Å; L186-F192 HydrophobicContact CB-CE2 3.76Å; L186-F192 HydrophobicContact CB-CZ 3.72Å; L186-F192 HydrophobicContact CD1-CZ 4.33Å; C190-F192 HydrophobicContact CB-CD2 4.1Å; C190-F192 HydrophobicContact CB-CE2 3.46Å; C190-F192 VanDerWaalsContact CB-CE2 3.46Å; C190-F192 HydrophobicContact CB-CZ 3.97Å; C190-F192 WeakPolarHBondContact O-CD2 3.26Å
193	S	97.9	Very high	94.5	Very high	5 Å²	5	29.5 Å²	29.5	4%	0.035	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	157.2	174.6	-56.3	0	0	0	0	111.3	K146 I164 I165 G166 Y179	K146-S193 CarbonylContact O-C 3.28Å; K146-S193 WeakPolarHBondContact O-CA 3.31Å; K146-S193 VanDerWaalsContact O-CB 3.31Å; K146-S193 WeakPolarHBondContact O-CB 3.4Å; I164-S193 PolarHBondContact O-N 3.27Å; I165-S193 WeakPolarHBondContact CA-O 3.43Å; G166-S193 PolarHBondContact N-O 3.42Å; Y179-S193 PolarHBondContact OH-N 3.41Å; Y179-S193 PolarHBondContact OH-O 2.78Å
194	A	98.1	Very high	94.5	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	140.5	178.8	0	0	0	0	0	112.7	V145 K146 E147 I148 G166 F168 Y176 Y179 F196	V145-A194 HydrophobicContact CG1-CB 3.51Å; K146-A194 PolarHBondContact O-N 3.14Å; E147-A194 CarbonylContact C-O 3.52Å; E147-A194 WeakPolarHBondContact CA-O 3.46Å; I148-A194 PolarHBondContact N-O 2.99Å; G166-A194 CarbonylContact O-C 3.56Å; G166-A194 WeakPolarHBondContact O-CA 3.25Å; F168-A194 HydrophobicContact CD2-CB 4.14Å; F168-A194 HydrophobicContact CE2-CB 4.05Å; Y176-A194 HydrophobicContact CD2-CB 4.47Å; Y176-A194 HydrophobicContact CE2-CB 3.9Å; Y179-A194 HydrophobicContact CE1-CB 4.33Å; A194-F196 HydrophobicContact CB-CE1 4.37Å; A194-F196 HydrophobicContact CB-CE2 3.98Å; A194-F196 HydrophobicContact CB-CZ 3.68Å
195	A	97.9	Very high	94.6	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	145.1	171.5	0	0	0	0	0	110.3	I148 G166 Y167 F168 V199 S200	I148-A195 HydrophobicContact CB-CB 4.05Å; I148-A195 HydrophobicContact CG2-CB 4.22Å; G166-A195 PolarHBondContact O-N 3.42Å; Y167-A195 HydrophobicContact CD1-CB 3.92Å; Y167-A195 HydrophobicContact CE1-CB 4.27Å; F168-A195 PolarHBondContact N-O 3.45Å; A195-V199 HydrophobicContact CB-CG1 4.07Å; A195-S200 WeakPolarHBondContact O-CB 3.5Å
196	F	97.8	Very high	94.6	Very high	26 Å²	26	43.5 Å²	43.5	11%	0.114	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	155.1	-174.2	-56.4	-76.3	0	0	0	113.6	E147 F168 K171 Y176 A194 A198 V199 S200	E147-F196 HydrophobicContact CG-CD2 3.89Å; E147-F196 HydrophobicContact CG-CE2 3.87Å; F168-F196 HydrophobicContact CB-CD1 3.8Å; F168-F196 HydrophobicContact CB-CE1 3.91Å; F168-F196 HydrophobicContact CD2-CD1 4.43Å; F168-F196 AromaticContact CD2-CE1 3.85Å; F168-F196 HydrophobicContact CD2-CE1 3.85Å; F168-F196 HydrophobicContact CG-CE1 4.23Å; F168-F196 VanDerWaalsContact O-CA 3.29Å; F168-F196 WeakPolarHBondContact O-CA 3.41Å; K171-F196 HydrophobicContact CB-CD1 4.14Å; K171-F196 HydrophobicContact CB-CE1 3.87Å; K171-F196 HydrophobicContact CB-CE2 4.49Å; K171-F196 HydrophobicContact CB-CZ 4.04Å; K171-F196 HydrophobicContact CD-CE2 4.37Å; K171-F196 HydrophobicContact CD-CZ 4.27Å; K171-F196 HydrophobicContact CG-CE1 4.11Å; K171-F196 HydrophobicContact CG-CE2 4.4Å; K171-F196 HydrophobicContact CG-CZ 3.87Å; Y176-F196 AromaticContact CD2-CE1 3.66Å; Y176-F196 HydrophobicContact CD2-CE1 3.66Å; Y176-F196 AromaticContact CD2-CZ 3.69Å; Y176-F196 HydrophobicContact CD2-CZ 3.69Å; Y176-F196 HydrophobicContact CE1-CZ 4.45Å; Y176-F196 AromaticContact CE2-CE1 3.92Å; Y176-F196 HydrophobicContact CE2-CE1 3.92Å; Y176-F196 AromaticContact CE2-CZ 3.42Å; Y176-F196 HydrophobicContact CE2-CZ 3.42Å; Y176-F196 VanDerWaalsContact CE2-CZ 3.42Å; Y176-F196 HydrophobicContact CG-CE1 4.05Å; Y176-F196 HydrophobicContact CG-CZ 4.32Å; Y176-F196 AromaticContact CZ-CZ 3.8Å; A194-F196 HydrophobicContact CB-CE1 4.37Å; A194-F196 HydrophobicContact CB-CE2 3.98Å; A194-F196 HydrophobicContact CB-CZ 3.68Å; F196-A198 PolarHBondContact O-N 2.84Å; F196-V199 WeakPolarHBondContact O-CB 3.42Å; F196-V199 PolarHBondContact O-N 2.86Å; F196-V199 VanDerWaalsContact O-N 3.09Å; F196-S200 PolarHBondContact O-N 3.02Å
197	G	96.6	Very high	94.8	Very high	20 Å²	20	44.8 Å²	44.8	21%	0.206	27%	0.271	C	S	.	.	H	α-helix	trans	53.8	-121.4	169.6	0	0	0	0	0	114.1	F168 E169 V199 S200 A201 R204	F168-G197 PolarHBondContact O-N 2.98Å; E169-G197 VanDerWaalsContact O-CA 3.23Å; E169-G197 WeakPolarHBondContact O-CA 3.29Å; E169-G197 PolarHBondContact O-N 3.11Å; G197-V199 VanDerWaalsContact C-N 3.3Å; G197-V199 PolarHBondContact O-N 3.15Å; G197-S200 PolarHBondContact N-OG 2.89Å; G197-S200 PolarHBondContact O-N 2.76Å; G197-S200 PolarHBondContact O-OG 3.08Å; G197-S200 VanDerWaalsContact O-OG 3.14Å; G197-A201 PolarHBondContact O-N 2.95Å; G197-A201 VanDerWaalsContact O-N 3.08Å; G197-R204 PolarHBondContact O-NH2 3.21Å
198	A	96.1	Very high	95.2	Very high	96 Å²	96	44.1 Å²	44.1	79%	0.793	27%	0.271	S	S	*	.	H	α-helix	trans	-66.8	-29.2	-178.1	0	0	0	0	0	113.1	F196	F196-A198 PolarHBondContact O-N 2.84Å
199	V	96.4	Very high	95.6	Very high	42 Å²	42	41.9 Å²	41.9	26%	0.255	26%	0.259	S	S	.	.	H	α-helix	trans	-69.3	-42.3	179.2	-178.4	0	0	0	0	110.7	I148 H149 A195 F196 G197	I148-V199 HydrophobicContact CG2-CG1 4.44Å; H149-V199 WeakPolarHBondContact O-CG2 3.47Å; A195-V199 HydrophobicContact CB-CG1 4.07Å; F196-V199 WeakPolarHBondContact O-CB 3.42Å; F196-V199 PolarHBondContact O-N 2.86Å; F196-V199 VanDerWaalsContact O-N 3.09Å; G197-V199 VanDerWaalsContact C-N 3.3Å; G197-V199 PolarHBondContact O-N 3.15Å
200	S	96.4	Very high	96	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-84.7	-11.1	-179.9	58.9	0	0	0	0	113.5	F168 A195 F196 G197 S202 E203 R204	F168-S200 PolarHBondContact O-OG 2.84Å; A195-S200 WeakPolarHBondContact O-CB 3.5Å; F196-S200 PolarHBondContact O-N 3.02Å; G197-S200 PolarHBondContact N-OG 2.89Å; G197-S200 PolarHBondContact O-N 2.76Å; G197-S200 PolarHBondContact O-OG 3.08Å; G197-S200 VanDerWaalsContact O-OG 3.14Å; S200-S202 VanDerWaalsContact C-N 3.25Å; S200-S202 PolarHBondContact O-N 3.42Å; S200-S202 VanDerWaalsContact O-N 3.14Å; S200-E203 PolarHBondContact O-N 2.97Å; S200-R204 WeakPolarHBondContact O-CG 3.19Å; S200-R204 PolarHBondContact O-N 3.3Å; S200-R204 WeakPolarHBondContact OG-CD 3.49Å; S200-R204 PolarHBondContact OG-NE 3.27Å
201	A	95.8	Very high	96.1	Very high	51 Å²	51	40.6 Å²	40.6	42%	0.421	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-35.9	-171.3	0	0	0	0	0	113.9	G197 E203 R204	G197-A201 PolarHBondContact O-N 2.95Å; G197-A201 VanDerWaalsContact O-N 3.08Å; A201-E203 VanDerWaalsContact C-N 3.27Å; A201-E203 PolarHBondContact O-N 3.37Å; A201-R204 PolarHBondContact O-N 2.77Å
202	S	93.9	Very high	96.2	Very high	56 Å²	56	39.1 Å²	39.1	39%	0.392	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-20.9	178.3	59.9	0	0	0	0	113.7	S200 F205	S200-S202 VanDerWaalsContact C-N 3.25Å; S200-S202 PolarHBondContact O-N 3.42Å; S200-S202 VanDerWaalsContact O-N 3.14Å; S202-F205 WeakPolarHBondContact O-CE2 3.35Å; S202-F205 WeakPolarHBondContact O-CZ 3.47Å
203	E	94.6	Very high	96.1	Very high	77 Å²	77	39.9 Å²	39.9	36%	0.36	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-10.5	179.6	-60.8	-58.8	149.6	0	0	112.2	M151 Y167 S200 A201 F205 N209	M151-E203 HydrophobicContact CE-CG 3.61Å; M151-E203 WeakPolarHBondContact CE-OE1 3.35Å; M151-E203 HydrophobicContact SD-CG 4.3Å; Y167-E203 HydrophobicContact CD1-CB 3.75Å; Y167-E203 HydrophobicContact CD1-CG 3.93Å; Y167-E203 HydrophobicContact CD2-CB 3.9Å; Y167-E203 HydrophobicContact CD2-CG 4.45Å; Y167-E203 HydrophobicContact CE1-CB 4.02Å; Y167-E203 HydrophobicContact CE1-CG 3.69Å; Y167-E203 HydrophobicContact CE2-CB 4.13Å; Y167-E203 HydrophobicContact CE2-CG 4.21Å; Y167-E203 HydrophobicContact CG-CB 3.7Å; Y167-E203 HydrophobicContact CG-CG 4.31Å; S200-E203 PolarHBondContact O-N 2.97Å; A201-E203 VanDerWaalsContact C-N 3.27Å; A201-E203 PolarHBondContact O-N 3.37Å; E203-F205 PolarHBondContact O-N 3.47Å; E203-N209 PolarHBondContact O-ND2 3.35Å
204	R	94.5	Very high	95.8	Very high	28 Å²	28	40.3 Å²	40.3	11%	0.106	25%	0.247	C	C	.	.			trans	-99.5	38.2	-174.1	-65.8	-175.2	-53.1	105.8	-1.2	114.1	Y167 F168 E169 G197 S200 A201 S206 G207 D208	Y167-R204 WeakPolarHBondContact O-CD 3.41Å; F168-R204 PolarHBondContact O-NE 3.19Å; E169-R204 VanDerWaalsContact CA-CZ 3.46Å; E169-R204 IonicContact OE1-NH2 3.29Å; E169-R204 PolarHBondContact OE1-NH2 3.18Å; E169-R204 IonicContact OE2-CZ 3.14Å; E169-R204 IonicContact OE2-NH1 2.63Å; E169-R204 PolarHBondContact OE2-NH1 3.23Å; E169-R204 IonicContact OE2-NH2 2.81Å; E169-R204 PolarHBondContact OE2-NH2 3.22Å; G197-R204 PolarHBondContact O-NH2 3.21Å; S200-R204 WeakPolarHBondContact O-CG 3.19Å; S200-R204 PolarHBondContact O-N 3.3Å; S200-R204 WeakPolarHBondContact OG-CD 3.49Å; S200-R204 PolarHBondContact OG-NE 3.27Å; A201-R204 PolarHBondContact O-N 2.77Å; R204-S206 PolarHBondContact O-N 3.13Å; R204-S206 VanDerWaalsContact O-N 3.14Å; R204-G207 WeakPolarHBondContact CA-O 3.39Å; R204-G207 WeakPolarHBondContact CB-O 3.23Å; R204-G207 WeakPolarHBondContact CG-O 3.42Å; R204-G207 PolarHBondContact O-N 3.38Å; R204-D208 IonicContact NH1-OD1 2.68Å
205	F	90.9	Very high	95.4	Very high	186 Å²	186	43.5 Å²	43.5	82%	0.816	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-31.3	178.2	-61.7	-71.6	0	0	0	113.7	S202 E203	S202-F205 WeakPolarHBondContact O-CE2 3.35Å; S202-F205 WeakPolarHBondContact O-CZ 3.47Å; E203-F205 PolarHBondContact O-N 3.47Å
206	S	91.1	Very high	94.9	Very high	113 Å²	113	44.9 Å²	44.9	79%	0.79	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.5	13.3	178.1	53.6	0	0	0	0	113.2	R204	R204-S206 PolarHBondContact O-N 3.13Å; R204-S206 VanDerWaalsContact O-N 3.14Å
207	G	95.6	Very high	94.3	Very high	29 Å²	29	51 Å²	51	30%	0.299	31%	0.309	S	S	.	.	S	Bend	trans	94.1	-163	-170.5	0	0	0	0	0	112.7	R204 N209	R204-G207 WeakPolarHBondContact CA-O 3.39Å; R204-G207 WeakPolarHBondContact CB-O 3.23Å; R204-G207 WeakPolarHBondContact CG-O 3.42Å; R204-G207 PolarHBondContact O-N 3.38Å; G207-N209 PolarHBondContact O-N 3.43Å; G207-N209 PolarHBondContact O-ND2 3.42Å
208	D	98.1	Very high	93.6	Very high	36 Å²	36	53.6 Å²	53.6	19%	0.193	34%	0.335	C	S	.	.	S	Bend	trans	-58.2	135.1	178.9	-65.6	-6.4	0	0	0	110.8	Y167 F168 E169 N175 R204 L228	Y167-D208 VanDerWaalsContact O-CA 3.25Å; Y167-D208 WeakPolarHBondContact O-CA 3.47Å; F168-D208 WeakPolarHBondContact CA-OD1 3.08Å; F168-D208 HydrophobicContact CD1-CB 4.07Å; E169-D208 PolarHBondContact N-OD1 3.47Å; N175-D208 PolarHBondContact ND2-OD2 3.39Å; R204-D208 IonicContact NH1-OD1 2.68Å; D208-L228 HydrophobicContact CB-CD1 3.92Å
209	N	97.4	Very high	93.2	Very high	19 Å²	19	51.8 Å²	51.8	10%	0.102	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	160.6	-179.2	67	89.8	0	0	0	111.4	Y167 E203 G207	Y167-N209 WeakPolarHBondContact CD2-OD1 3.23Å; Y167-N209 PolarHBondContact N-O 3.2Å; Y167-N209 PolarHBondContact O-N 2.68Å; Y167-N209 VanDerWaalsContact O-N 3.07Å; E203-N209 PolarHBondContact O-ND2 3.35Å; G207-N209 PolarHBondContact O-N 3.43Å; G207-N209 PolarHBondContact O-ND2 3.42Å
210	V	98.1	Very high	93.1	Very high	2 Å²	2	54.4 Å²	54.4	1%	0.012	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	135	178.9	172.3	0	0	0	0	108.4	I164 I165 F168 Y179 Y224 L228 W237	I164-V210 HydrophobicContact CG2-CG1 3.45Å; I164-V210 VanDerWaalsContact CG2-CG1 3.45Å; I165-V210 WeakPolarHBondContact O-CA 3.48Å; F168-V210 HydrophobicContact CZ-CG2 4.13Å; Y179-V210 HydrophobicContact CD2-CG1 4.38Å; Y179-V210 HydrophobicContact CD2-CG2 3.77Å; Y179-V210 HydrophobicContact CE2-CG1 3.95Å; Y179-V210 HydrophobicContact CE2-CG2 3.97Å; V210-Y224 WeakPolarHBondContact O-CB 3.37Å; V210-Y224 PolarHBondContact O-N 3.36Å; V210-L228 HydrophobicContact CB-CD2 4.13Å; V210-L228 HydrophobicContact CG2-CD1 4.33Å; V210-L228 HydrophobicContact CG2-CD2 3.44Å; V210-L228 VanDerWaalsContact CG2-CD2 3.44Å; V210-W237 HydrophobicContact CG1-CH2 4.3Å; V210-W237 HydrophobicContact CG1-CZ3 3.92Å
211	I	97.1	Very high	93	Very high	13 Å²	13	57.4 Å²	57.4	7%	0.067	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	150.9	175.6	69.1	169.6	0	0	0	110.6	I164 I165 Y167 K213 L222 V223	I164-I211 WeakPolarHBondContact CA-O 3.4Å; I165-I211 HydrophobicContact CB-CD1 4.43Å; I165-I211 HydrophobicContact CB-CG1 3.91Å; I165-I211 PolarHBondContact N-O 2.9Å; I165-I211 PolarHBondContact O-N 3.47Å; Y167-I211 HydrophobicContact CE2-CD1 3.74Å; Y167-I211 HydrophobicContact CE2-CG1 3.83Å; Y167-I211 HydrophobicContact CE2-CG2 4.32Å; I211-K213 HydrophobicContact CD1-CG 4.23Å; I211-L222 CarbonylContact C-O 3.56Å; I211-L222 WeakPolarHBondContact CA-O 3.49Å; I211-V223 HydrophobicContact CG2-CG2 4.17Å
212	Y	97.5	Very high	92.9	Very high	19 Å²	19	58.6 Å²	58.6	8%	0.075	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	125.2	168.4	168.1	-114.4	0	0	0	108.9	R162 N163 I164 P214 D221 L222 K241	R162-Y212 HydrophobicContact CB-CE2 3.96Å; R162-Y212 HydrophobicContact CG-CE2 4.25Å; N163-Y212 WeakPolarHBondContact O-CA 3.35Å; N163-Y212 WeakPolarHBondContact O-CD2 3.49Å; I164-Y212 HydrophobicContact CG1-CD2 3.99Å; Y212-P214 HydrophobicContact CD1-CG 3.92Å; Y212-P214 HydrophobicContact CE1-CB 3.87Å; Y212-P214 HydrophobicContact CE1-CG 3.57Å; Y212-P214 WeakPolarHBondContact O-CD 3.42Å; Y212-D221 WeakPolarHBondContact O-CA 3.48Å; Y212-L222 HydrophobicContact CD1-CB 4.32Å; Y212-L222 HydrophobicContact CD1-CD1 4.03Å; Y212-L222 HydrophobicContact CD1-CG 4.38Å; Y212-L222 HydrophobicContact CE1-CD1 4.49Å; Y212-L222 PolarHBondContact N-O 3.17Å; Y212-L222 PolarHBondContact O-N 3.37Å; Y212-K241 HydrophobicContact CD1-CB 3.9Å; Y212-K241 HydrophobicContact CD1-CD 3.73Å; Y212-K241 HydrophobicContact CD1-CG 3.89Å; Y212-K241 HydrophobicContact CD2-CB 3.87Å; Y212-K241 HydrophobicContact CE1-CB 3.98Å; Y212-K241 HydrophobicContact CE1-CD 3.92Å; Y212-K241 HydrophobicContact CE1-CG 4.29Å; Y212-K241 HydrophobicContact CE2-CB 3.99Å; Y212-K241 HydrophobicContact CG-CB 3.81Å; Y212-K241 HydrophobicContact CG-CD 4.37Å; Y212-K241 HydrophobicContact CG-CG 4.01Å; Y212-K241 PolarHBondContact OH-O 3.5Å
213	K	95.7	Very high	93.1	Very high	19 Å²	19	59.6 Å²	59.6	8%	0.083	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	108.7	171.2	-63.8	-169.1	173.3	-77.7	0	108.7	I157 N163 I165 I211 D221	I157-K213 HydrophobicContact CG2-CD 4.01Å; N163-K213 HydrophobicContact CB-CB 4.29Å; N163-K213 PolarHBondContact N-O 2.77Å; N163-K213 PolarHBondContact O-N 3.45Å; I165-K213 HydrophobicContact CD1-CD 3.8Å; I165-K213 HydrophobicContact CD1-CG 4.36Å; I211-K213 HydrophobicContact CD1-CG 4.23Å; K213-D221 IonicContact NZ-OD1 3.8Å; K213-D221 PolarHBondContact NZ-OD1 3.17Å; K213-D221 IonicContact NZ-OD2 2.76Å; K213-D221 PolarHBondContact NZ-OD2 3Å
214	P	92.8	Very high	93.2	Very high	15 Å²	15	56.8 Å²	56.8	10%	0.097	34%	0.337	C	S	.	.			trans	-66.3	163.6	178	-17.1	30.7	0	0	0	112.5	R159 Y212 V219	R159-P214 PolarHBondContact NE-O 3.02Å; R159-P214 PolarHBondContact NH2-O 3.2Å; R159-P214 VanDerWaalsContact NH2-O 3.15Å; Y212-P214 HydrophobicContact CD1-CG 3.92Å; Y212-P214 HydrophobicContact CE1-CB 3.87Å; Y212-P214 HydrophobicContact CE1-CG 3.57Å; Y212-P214 WeakPolarHBondContact O-CD 3.42Å; P214-V219 HydrophobicContact CB-CB 4.27Å; P214-V219 HydrophobicContact CB-CG1 3.8Å; P214-V219 HydrophobicContact CG-CB 4.4Å; P214-V219 HydrophobicContact CG-CG1 3.7Å
215	V	89.8	Confident	93.2	Very high	66 Å²	66	63.2 Å²	63.2	40%	0.4	37%	0.373	S	S	.	.	S	Bend	trans	-61.1	138.8	169.4	177.2	0	0	0	0	109.5	R159 R162	R159-V215 WeakPolarHBondContact O-CA 3.34Å; R162-V215 HydrophobicContact CG-CG2 3.85Å
216	G	85.9	Confident	93.4	Very high	29 Å²	29	56 Å²	56	30%	0.299	35%	0.351	S	S	.	.	S	Bend	trans	101	142.2	177.8	0	0	0	0	0	113.6	R159	R159-G216 PolarHBondContact NH2-O 2.92Å; R159-G216 VanDerWaalsContact NH2-O 3.16Å; R159-G216 PolarHBondContact O-N 2.59Å
217	E	85.3	Confident	93.7	Very high	155 Å²	155	53.4 Å²	53.4	72%	0.724	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	139.4	175.2	-66.6	-62.2	163.5	0	0	110.7	R159 V219	R159-E217 WeakPolarHBondContact CB-OE1 3.44Å; R159-E217 VanDerWaalsContact CG-OE1 3.32Å; R159-E217 WeakPolarHBondContact CG-OE1 3.5Å; E217-V219 VanDerWaalsContact C-N 3.27Å; E217-V219 PolarHBondContact O-N 2.94Å
218	G	83	Confident	93.7	Very high	74 Å²	74	52.6 Å²	52.6	76%	0.763	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.9	-1.5	178.2	0	0	0	0	0	115.8
219	V	88.1	Confident	93.7	Very high	59 Å²	59	54.7 Å²	54.7	36%	0.358	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-74	127	169.9	-170.5	0	0	0	0	108.8	R159 P214 E217	R159-V219 PolarHBondContact NH2-O 2.73Å; R159-V219 VanDerWaalsContact NH2-O 3.16Å; P214-V219 HydrophobicContact CB-CB 4.27Å; P214-V219 HydrophobicContact CB-CG1 3.8Å; P214-V219 HydrophobicContact CG-CB 4.4Å; P214-V219 HydrophobicContact CG-CG1 3.7Å; E217-V219 VanDerWaalsContact C-N 3.27Å; E217-V219 PolarHBondContact O-N 2.94Å
220	P	92.8	Very high	93.6	Very high	97 Å²	97	56.7 Å²	56.7	63%	0.63	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-64.9	144.3	-177.1	26.5	-34.8	0	0	0	111.6
221	D	94.7	Very high	93.5	Very high	63 Å²	63	58.7 Å²	58.7	34%	0.337	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-68.5	147.1	175.7	-61.4	-9.5	0	0	0	110.6	R159 Y212 K213	R159-D221 IonicContact NH1-OD1 2.75Å; Y212-D221 WeakPolarHBondContact O-CA 3.48Å; K213-D221 IonicContact NZ-OD1 3.8Å; K213-D221 PolarHBondContact NZ-OD1 3.17Å; K213-D221 IonicContact NZ-OD2 2.76Å; K213-D221 PolarHBondContact NZ-OD2 3Å
222	L	95.1	Very high	93.3	Very high	75 Å²	75	63.2 Å²	63.2	39%	0.393	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	122.1	176.3	-59.7	-178.4	0	0	0	109.8	I211 Y212 K241	I211-L222 CarbonylContact C-O 3.56Å; I211-L222 WeakPolarHBondContact CA-O 3.49Å; Y212-L222 HydrophobicContact CD1-CB 4.32Å; Y212-L222 HydrophobicContact CD1-CD1 4.03Å; Y212-L222 HydrophobicContact CD1-CG 4.38Å; Y212-L222 HydrophobicContact CE1-CD1 4.49Å; Y212-L222 PolarHBondContact N-O 3.17Å; Y212-L222 PolarHBondContact O-N 3.37Å; L222-K241 HydrophobicContact CD1-CD 4.06Å
223	V	96.3	Very high	93.2	Very high	77 Å²	77	66.7 Å²	66.7	47%	0.467	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	135.1	179.2	-174.4	0	0	0	0	109.9	I211 L225	I211-V223 HydrophobicContact CG2-CG2 4.17Å; V223-L225 HydrophobicContact CB-CD2 4.47Å; V223-L225 HydrophobicContact CG1-CD2 4.15Å
224	Y	97.3	Very high	93.3	Very high	18 Å²	18	66 Å²	66	7%	0.071	40%	0.396	C	S	.	.			trans	-76.6	123.8	168.3	176.7	-118.6	0	0	0	110	V210 G226 S227 L228 L233 T234 W237	V210-Y224 WeakPolarHBondContact O-CB 3.37Å; V210-Y224 PolarHBondContact O-N 3.36Å; Y224-G226 WeakPolarHBondContact CE1-O 3.36Å; Y224-G226 VanDerWaalsContact CZ-C 3.45Å; Y224-G226 WeakPolarHBondContact OH-CA 3.27Å; Y224-S227 PolarHBondContact OH-O 3.36Å; Y224-L228 HydrophobicContact CD1-CD2 3.64Å; Y224-L228 HydrophobicContact CD1-CG 4.26Å; Y224-L228 HydrophobicContact CE1-CD2 3.73Å; Y224-L228 HydrophobicContact CE1-CG 4.2Å; Y224-L233 VanDerWaalsContact OH-CB 3.28Å; Y224-L233 WeakPolarHBondContact OH-CB 3.29Å; Y224-T234 PolarHBondContact OH-N 3.3Å; Y224-T234 PolarHBondContact OH-OG1 3.02Å; Y224-W237 HydrophobicContact CD2-CB 3.82Å; Y224-W237 AromaticContact CD2-CD1 3.81Å; Y224-W237 AromaticContact CD2-CD2 3.6Å; Y224-W237 HydrophobicContact CD2-CD2 3.6Å; Y224-W237 HydrophobicContact CD2-CE3 4.07Å; Y224-W237 AromaticContact CD2-CG 3.47Å; Y224-W237 HydrophobicContact CD2-CG 3.47Å; Y224-W237 VanDerWaalsContact CD2-CG 3.47Å; Y224-W237 HydrophobicContact CE2-CB 3.8Å; Y224-W237 HydrophobicContact CE2-CD2 4.46Å; Y224-W237 AromaticContact CE2-CG 3.98Å; Y224-W237 HydrophobicContact CE2-CG 3.98Å; Y224-W237 HydrophobicContact CG-CD2 4.14Å; Y224-W237 HydrophobicContact CG-CE3 4.26Å; Y224-W237 HydrophobicContact CG-CG 4.45Å
225	L	95.8	Very high	93.4	Very high	163 Å²	163	67.5 Å²	67.5	85%	0.853	40%	0.4	S	S	*	.			trans	-104.7	-0.9	-177.5	-57.9	178.4	0	0	0	113.3	V223	V223-L225 HydrophobicContact CB-CD2 4.47Å; V223-L225 HydrophobicContact CG1-CD2 4.15Å
226	G	94.8	Very high	93.6	Very high	34 Å²	34	68.3 Å²	68.3	35%	0.351	41%	0.405	S	S	.	.	S	Bend	trans	-83.6	176.4	179.5	0	0	0	0	0	112.6	Y224 L228	Y224-G226 WeakPolarHBondContact CE1-O 3.36Å; Y224-G226 VanDerWaalsContact CZ-C 3.45Å; Y224-G226 WeakPolarHBondContact OH-CA 3.27Å; G226-L228 PolarHBondContact O-N 3.3Å
227	S	96.5	Very high	94.1	Very high	59 Å²	59	69 Å²	69	41%	0.413	40%	0.399	S	S	.	.			trans	-73.1	126.9	175.5	174.9	0	0	0	0	110.6	Y224 T229 N230 T234	Y224-S227 PolarHBondContact OH-O 3.36Å; S227-T229 VanDerWaalsContact C-N 3.33Å; S227-T229 PolarHBondContact OG-OG1 3.14Å; S227-T229 VanDerWaalsContact OG-OG1 3.04Å; S227-N230 PolarHBondContact O-N 2.75Å; S227-T234 PolarHBondContact O-OG1 2.79Å
228	L	96.8	Very high	94.6	Very high	13 Å²	13	61.7 Å²	61.7	7%	0.068	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-18.4	177.6	-74.1	173.5	0	0	0	113.8	F168 N175 T178 D208 V210 Y224 G226 N230 T234	F168-L228 HydrophobicContact CE1-CD1 4.31Å; N175-L228 HydrophobicContact CB-CB 4.02Å; N175-L228 HydrophobicContact CB-CD1 4.4Å; N175-L228 WeakPolarHBondContact OD1-CB 3.4Å; T178-L228 WeakPolarHBondContact CB-O 3.39Å; T178-L228 WeakPolarHBondContact CG2-O 3.07Å; T178-L228 PolarHBondContact OG1-O 2.82Å; D208-L228 HydrophobicContact CB-CD1 3.92Å; V210-L228 HydrophobicContact CB-CD2 4.13Å; V210-L228 HydrophobicContact CG2-CD1 4.33Å; V210-L228 HydrophobicContact CG2-CD2 3.44Å; V210-L228 VanDerWaalsContact CG2-CD2 3.44Å; Y224-L228 HydrophobicContact CD1-CD2 3.64Å; Y224-L228 HydrophobicContact CD1-CG 4.26Å; Y224-L228 HydrophobicContact CE1-CD2 3.73Å; Y224-L228 HydrophobicContact CE1-CG 4.2Å; G226-L228 PolarHBondContact O-N 3.3Å; L228-N230 VanDerWaalsContact C-N 3.28Å; L228-T234 HydrophobicContact CD2-CG2 4.44Å
229	T	96.3	Very high	95.1	Very high	80 Å²	80	61.5 Å²	61.5	49%	0.491	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-11.9	172.6	57.6	0	0	0	0	112.4	D174 N175 S227	D174-T229 HydrophobicContact CB-CG2 4.11Å; N175-T229 WeakPolarHBondContact OD1-CG2 3.47Å; S227-T229 VanDerWaalsContact C-N 3.33Å; S227-T229 PolarHBondContact OG-OG1 3.14Å; S227-T229 VanDerWaalsContact OG-OG1 3.04Å
230	N	97	Very high	95.2	Very high	61 Å²	61	63.9 Å²	63.9	33%	0.326	36%	0.355	S	S	.	.			trans	-90.8	106.3	176	-171.3	-51.4	0	0	0	110.2	S227 L228 D232 L233 T234	S227-N230 PolarHBondContact O-N 2.75Å; L228-N230 VanDerWaalsContact C-N 3.28Å; N230-D232 PolarHBondContact OD1-N 2.96Å; N230-D232 VanDerWaalsContact OD1-N 3.08Å; N230-L233 HydrophobicContact CB-CB 4.23Å; N230-L233 HydrophobicContact CB-CD1 4.08Å; N230-L233 HydrophobicContact CB-CG 4.28Å; N230-L233 PolarHBondContact OD1-N 3.25Å; N230-T234 WeakPolarHBondContact O-CB 3.31Å; N230-T234 PolarHBondContact O-N 2.81Å; N230-T234 VanDerWaalsContact O-N 3.12Å; N230-T234 PolarHBondContact O-OG1 3.45Å
231	F	94.3	Very high	95.3	Very high	43 Å²	43	61 Å²	61	19%	0.189	33%	0.333	C	S	.	.	H	α-helix	trans	-58.6	-47.9	179	172.5	-100.4	0	0	0	112.8	M118 T178 K181 V182 I185 L233 T234 Y235	M118-F231 HydrophobicContact CE-CZ 4.15Å; M118-F231 HydrophobicContact SD-CZ 4.17Å; T178-F231 HydrophobicContact CG2-CB 4.12Å; T178-F231 HydrophobicContact CG2-CD2 4.46Å; K181-F231 HydrophobicContact CB-CD2 4.4Å; K181-F231 HydrophobicContact CB-CE2 4.26Å; K181-F231 HydrophobicContact CD-CD2 3.73Å; K181-F231 HydrophobicContact CD-CE2 3.66Å; K181-F231 HydrophobicContact CD-CZ 4.4Å; K181-F231 HydrophobicContact CG-CD2 4.12Å; K181-F231 HydrophobicContact CG-CE2 3.7Å; V182-F231 HydrophobicContact CG2-CD2 4.06Å; V182-F231 HydrophobicContact CG2-CE2 3.94Å; I185-F231 HydrophobicContact CD1-CE2 3.71Å; I185-F231 HydrophobicContact CD1-CZ 3.52Å; F231-L233 PolarHBondContact O-N 3.32Å; F231-T234 PolarHBondContact O-N 3.16Å; F231-Y235 HydrophobicContact CZ-CD2 4.4Å; F231-Y235 HydrophobicContact CZ-CG 4.27Å; F231-Y235 WeakPolarHBondContact O-CB 3.38Å; F231-Y235 PolarHBondContact O-N 3.46Å
232	D	93.4	Very high	95.2	Very high	108 Å²	108	58.1 Å²	58.1	58%	0.578	32%	0.317	S	S	*	.	H	α-helix	trans	-64.9	-41.4	-173.6	-63.5	-40	0	0	0	112.3	N230 T236	N230-D232 PolarHBondContact OD1-N 2.96Å; N230-D232 VanDerWaalsContact OD1-N 3.08Å; D232-T236 VanDerWaalsContact O-CB 3.24Å; D232-T236 WeakPolarHBondContact O-CB 3.29Å; D232-T236 PolarHBondContact O-N 3.36Å; D232-T236 PolarHBondContact O-OG1 3.48Å
233	L	96.6	Very high	94.9	Very high	92 Å²	92	56.2 Å²	56.2	48%	0.482	31%	0.309	S	S	.	.	H	α-helix	trans	-67.2	-44.8	176.5	-67	179.5	0	0	0	111.6	Y224 N230 F231 W237	Y224-L233 VanDerWaalsContact OH-CB 3.28Å; Y224-L233 WeakPolarHBondContact OH-CB 3.29Å; N230-L233 HydrophobicContact CB-CB 4.23Å; N230-L233 HydrophobicContact CB-CD1 4.08Å; N230-L233 HydrophobicContact CB-CG 4.28Å; N230-L233 PolarHBondContact OD1-N 3.25Å; F231-L233 PolarHBondContact O-N 3.32Å; L233-W237 WeakPolarHBondContact O-CB 3.43Å; L233-W237 PolarHBondContact O-N 3.3Å
234	T	96.7	Very high	94.5	Very high	4 Å²	4	54.1 Å²	54.1	3%	0.025	30%	0.297	C	S	.	.	H	α-helix	trans	-66.3	-43.9	-179.5	-53.6	0	0	0	0	110.5	V182 Y224 S227 L228 N230 F231 A238	V182-T234 HydrophobicContact CG2-CG2 4.09Å; Y224-T234 PolarHBondContact OH-N 3.3Å; Y224-T234 PolarHBondContact OH-OG1 3.02Å; S227-T234 PolarHBondContact O-OG1 2.79Å; L228-T234 HydrophobicContact CD2-CG2 4.44Å; N230-T234 WeakPolarHBondContact O-CB 3.31Å; N230-T234 PolarHBondContact O-N 2.81Å; N230-T234 VanDerWaalsContact O-N 3.12Å; N230-T234 PolarHBondContact O-OG1 3.45Å; F231-T234 PolarHBondContact O-N 3.16Å; T234-A238 VanDerWaalsContact O-CB 3.3Å; T234-A238 WeakPolarHBondContact O-CB 3.4Å; T234-A238 PolarHBondContact O-N 2.8Å
235	Y	94.8	Very high	94.2	Very high	47 Å²	47	55.4 Å²	55.4	18%	0.184	31%	0.305	C	S	.	.	H	α-helix	trans	-62.3	-49.6	176.5	174.9	-104.5	0	0	0	111.6	I185 L186 F231 W237 A238 Q239	I185-Y235 HydrophobicContact CB-CE2 4.19Å; I185-Y235 HydrophobicContact CD1-CD2 4.02Å; I185-Y235 HydrophobicContact CD1-CE2 4.13Å; I185-Y235 HydrophobicContact CG2-CD2 4.5Å; I185-Y235 HydrophobicContact CG2-CE2 3.61Å; L186-Y235 HydrophobicContact CD1-CD2 4.43Å; L186-Y235 HydrophobicContact CD1-CE2 4.36Å; L186-Y235 HydrophobicContact CD2-CE2 4.08Å; L186-Y235 HydrophobicContact CG-CE2 4.17Å; F231-Y235 HydrophobicContact CZ-CD2 4.4Å; F231-Y235 HydrophobicContact CZ-CG 4.27Å; F231-Y235 WeakPolarHBondContact O-CB 3.38Å; F231-Y235 PolarHBondContact O-N 3.46Å; Y235-W237 VanDerWaalsContact C-N 3.34Å; Y235-W237 PolarHBondContact O-N 3.19Å; Y235-A238 PolarHBondContact O-N 2.98Å; Y235-Q239 WeakPolarHBondContact O-CB 3.31Å; Y235-Q239 PolarHBondContact O-N 3.35Å; Y235-Q239 PolarHBondContact OH-NE2 3.04Å
236	T	94.1	Very high	94.2	Very high	84 Å²	84	47.9 Å²	47.9	52%	0.515	27%	0.265	S	S	.	.	H	α-helix	trans	-62.5	-42.7	-178.2	-59	0	0	0	0	111	D232 D240	D232-T236 VanDerWaalsContact O-CB 3.24Å; D232-T236 WeakPolarHBondContact O-CB 3.29Å; D232-T236 PolarHBondContact O-N 3.36Å; D232-T236 PolarHBondContact O-OG1 3.48Å; T236-D240 WeakPolarHBondContact O-CB 3.43Å; T236-D240 PolarHBondContact O-N 2.84Å
237	W	96.4	Very high	94.2	Very high	42 Å²	42	48.1 Å²	48.1	16%	0.159	26%	0.256	C	S	.	.	H	α-helix	trans	-64.7	-46.4	176.5	178.2	91.7	0	0	0	111.9	I164 V210 Y224 L233 Y235 D240 K241	I164-W237 HydrophobicContact CD1-CZ3 4.25Å; I164-W237 HydrophobicContact CG2-CZ3 4.47Å; V210-W237 HydrophobicContact CG1-CH2 4.3Å; V210-W237 HydrophobicContact CG1-CZ3 3.92Å; Y224-W237 HydrophobicContact CD2-CB 3.82Å; Y224-W237 AromaticContact CD2-CD1 3.81Å; Y224-W237 AromaticContact CD2-CD2 3.6Å; Y224-W237 HydrophobicContact CD2-CD2 3.6Å; Y224-W237 HydrophobicContact CD2-CE3 4.07Å; Y224-W237 AromaticContact CD2-CG 3.47Å; Y224-W237 HydrophobicContact CD2-CG 3.47Å; Y224-W237 VanDerWaalsContact CD2-CG 3.47Å; Y224-W237 HydrophobicContact CE2-CB 3.8Å; Y224-W237 HydrophobicContact CE2-CD2 4.46Å; Y224-W237 AromaticContact CE2-CG 3.98Å; Y224-W237 HydrophobicContact CE2-CG 3.98Å; Y224-W237 HydrophobicContact CG-CD2 4.14Å; Y224-W237 HydrophobicContact CG-CE3 4.26Å; Y224-W237 HydrophobicContact CG-CG 4.45Å; L233-W237 WeakPolarHBondContact O-CB 3.43Å; L233-W237 PolarHBondContact O-N 3.3Å; Y235-W237 VanDerWaalsContact C-N 3.34Å; Y235-W237 PolarHBondContact O-N 3.19Å; W237-D240 PolarHBondContact O-N 2.83Å; W237-K241 HydrophobicContact CD2-CG 4.41Å; W237-K241 HydrophobicContact CZ2-CG 4.29Å; W237-K241 WeakPolarHBondContact O-CG 3.43Å; W237-K241 PolarHBondContact O-N 2.95Å
238	A	96.3	Very high	94.1	Very high	2 Å²	2	49.2 Å²	49.2	2%	0.017	25%	0.254	C	S	.	.	H	α-helix	trans	-64.3	-42.2	178.6	0	0	0	0	0	111.4	I164 V182 L186 T234 Y235 D240 K241 C242	I164-A238 HydrophobicContact CD1-CB 3.69Å; V182-A238 HydrophobicContact CG1-CB 3.57Å; L186-A238 HydrophobicContact CD1-CB 3.7Å; T234-A238 VanDerWaalsContact O-CB 3.3Å; T234-A238 WeakPolarHBondContact O-CB 3.4Å; T234-A238 PolarHBondContact O-N 2.8Å; Y235-A238 PolarHBondContact O-N 2.98Å; A238-D240 PolarHBondContact O-N 3.24Å; A238-K241 PolarHBondContact O-N 3.35Å; A238-K241 VanDerWaalsContact O-N 3.15Å; A238-C242 VanDerWaalsContact O-CB 3.26Å; A238-C242 WeakPolarHBondContact O-CB 3.28Å; A238-C242 PolarHBondContact O-N 3.17Å; A238-C242 PolarHBondContact O-SG 3.21Å
239	Q	93.2	Very high	94	Very high	71 Å²	71	48.6 Å²	48.6	33%	0.332	25%	0.251	S	S	.	.	H	α-helix	trans	-59.9	-45.2	177.2	-175.5	-179.8	33.4	0	0	111.5	L186 Y235 K241 C242 V243	L186-Q239 HydrophobicContact CD1-CB 4.29Å; Y235-Q239 WeakPolarHBondContact O-CB 3.31Å; Y235-Q239 PolarHBondContact O-N 3.35Å; Y235-Q239 PolarHBondContact OH-NE2 3.04Å; Q239-K241 VanDerWaalsContact C-N 3.25Å; Q239-K241 PolarHBondContact O-N 3.37Å; Q239-C242 PolarHBondContact O-N 3.49Å; Q239-V243 HydrophobicContact CG-CG2 4.21Å; Q239-V243 WeakPolarHBondContact O-CB 3.29Å; Q239-V243 PolarHBondContact O-N 2.84Å
240	D	90.9	Very high	93.8	Very high	108 Å²	108	45.8 Å²	45.8	58%	0.578	23%	0.234	S	C	*	.	H	α-helix	trans	-60.4	-34.3	176.4	178.4	73	0	0	0	112.5	T236 W237 A238	T236-D240 WeakPolarHBondContact O-CB 3.43Å; T236-D240 PolarHBondContact O-N 2.84Å; W237-D240 PolarHBondContact O-N 2.83Å; A238-D240 PolarHBondContact O-N 3.24Å
241	K	93.3	Very high	93.5	Very high	38 Å²	38	48.6 Å²	48.6	17%	0.165	24%	0.243	C	C	.	.	H	α-helix	trans	-81.6	-36.1	177.3	-60.2	-56.9	171.8	-70.2	0	113.4	R162 Y212 L222 W237 A238 Q239	R162-K241 WeakPolarHBondContact CD-O 3.49Å; Y212-K241 HydrophobicContact CD1-CB 3.9Å; Y212-K241 HydrophobicContact CD1-CD 3.73Å; Y212-K241 HydrophobicContact CD1-CG 3.89Å; Y212-K241 HydrophobicContact CD2-CB 3.87Å; Y212-K241 HydrophobicContact CE1-CB 3.98Å; Y212-K241 HydrophobicContact CE1-CD 3.92Å; Y212-K241 HydrophobicContact CE1-CG 4.29Å; Y212-K241 HydrophobicContact CE2-CB 3.99Å; Y212-K241 HydrophobicContact CG-CB 3.81Å; Y212-K241 HydrophobicContact CG-CD 4.37Å; Y212-K241 HydrophobicContact CG-CG 4.01Å; Y212-K241 PolarHBondContact OH-O 3.5Å; L222-K241 HydrophobicContact CD1-CD 4.06Å; W237-K241 HydrophobicContact CD2-CG 4.41Å; W237-K241 HydrophobicContact CZ2-CG 4.29Å; W237-K241 WeakPolarHBondContact O-CG 3.43Å; W237-K241 PolarHBondContact O-N 2.95Å; A238-K241 PolarHBondContact O-N 3.35Å; A238-K241 VanDerWaalsContact O-N 3.15Å; Q239-K241 VanDerWaalsContact C-N 3.25Å; Q239-K241 PolarHBondContact O-N 3.37Å
242	C	92.6	Very high	93.2	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.007	27%	0.267	C	S	.	.	H	α-helix	trans	-83	-33.2	-174.6	-68.8	0	0	0	0	113.9	I164 D189 C190 A238 Q239 P244	I164-C242 WeakPolarHBondContact CD1-SG 3.45Å; D189-C242 HydrophobicContact CB-CB 4.13Å; C190-C242 HydrophobicContact CB-CB 3.82Å; C190-C242 WeakPolarHBondContact CB-SG 3.47Å; C190-C242 WeakPolarHBondContact SG-CA 3.15Å; C190-C242 WeakPolarHBondContact SG-CB 3.36Å; C190-C242 CovalentContact SG-SG 2.02Å; C190-C242 PolarHBondContact SG-SG 3.15Å; A238-C242 VanDerWaalsContact O-CB 3.26Å; A238-C242 WeakPolarHBondContact O-CB 3.28Å; A238-C242 PolarHBondContact O-N 3.17Å; A238-C242 PolarHBondContact O-SG 3.21Å; Q239-C242 PolarHBondContact O-N 3.49Å; C242-P244 VanDerWaalsContact O-CD 3.25Å; C242-P244 WeakPolarHBondContact O-CD 3.4Å
243	V	89	Confident	93	Very high	35 Å²	35	49.8 Å²	49.8	21%	0.212	25%	0.247	C	C	.	.	S	Bend	trans	-102.3	98.6	-178	-172.8	0	0	0	0	108.8	D189 Q239	D189-V243 HydrophobicContact CB-CG2 4.38Å; Q239-V243 HydrophobicContact CG-CG2 4.21Å; Q239-V243 WeakPolarHBondContact O-CB 3.29Å; Q239-V243 PolarHBondContact O-N 2.84Å
244	P	89	Confident	92.8	Very high	33 Å²	33	45.4 Å²	45.4	21%	0.214	22%	0.224	C	C	.	.			trans	-66.6	154.5	-177.9	31.8	-38.7	0	0	0	111.2	C242 V246 R247	C242-P244 VanDerWaalsContact O-CD 3.25Å; C242-P244 WeakPolarHBondContact O-CD 3.4Å; P244-V246 VanDerWaalsContact C-N 3.29Å; P244-V246 WeakPolarHBondContact CB-O 3.14Å; P244-V246 VanDerWaalsContact CG-O 3.31Å; P244-V246 WeakPolarHBondContact CG-O 3.33Å; P244-V246 PolarHBondContact O-N 3.45Å; P244-R247 HydrophobicContact CG-CG 4.08Å; P244-R247 VanDerWaalsContact O-CG 3.31Å; P244-R247 WeakPolarHBondContact O-CG 3.07Å
245	L	90.9	Very high	92.6	Very high	46 Å²	46	46.2 Å²	46.2	24%	0.241	23%	0.227	C	C	.	.	S	Bend	trans	-59.8	-42.1	173.3	-178.8	61.6	0	0	0	111.6	V284 K292 F297	L245-V284 HydrophobicContact CD2-CG1 3.85Å; L245-V284 HydrophobicContact CG-CG1 4.13Å; L245-K292 HydrophobicContact CD1-CD 4.01Å; L245-K292 HydrophobicContact CD1-CG 4.21Å; L245-F297 HydrophobicContact CD1-CD2 3.72Å; L245-F297 HydrophobicContact CD1-CE2 3.89Å; L245-F297 HydrophobicContact CG-CD2 3.89Å; L245-F297 HydrophobicContact CG-CE2 4.36Å
246	V	95.3	Very high	92.5	Very high	4 Å²	4	45.2 Å²	45.2	2%	0.024	22%	0.224	C	C	.	.	S	Bend	trans	-102.7	113.6	172.9	-171.1	0	0	0	0	108.6	P244 F280 Q281 V284 F297 H299	P244-V246 VanDerWaalsContact C-N 3.29Å; P244-V246 WeakPolarHBondContact CB-O 3.14Å; P244-V246 VanDerWaalsContact CG-O 3.31Å; P244-V246 WeakPolarHBondContact CG-O 3.33Å; P244-V246 PolarHBondContact O-N 3.45Å; V246-F280 HydrophobicContact CG1-CD1 4Å; V246-F280 HydrophobicContact CG1-CE1 3.71Å; V246-F280 HydrophobicContact CG2-CD1 4.47Å; V246-F280 HydrophobicContact CG2-CE1 4.34Å; V246-Q281 HydrophobicContact CB-CG 3.98Å; V246-Q281 HydrophobicContact CG2-CB 4.48Å; V246-Q281 HydrophobicContact CG2-CG 3.91Å; V246-V284 HydrophobicContact CG2-CB 4.07Å; V246-V284 HydrophobicContact CG2-CG1 3.95Å; V246-V284 HydrophobicContact CG2-CG2 4.18Å; V246-F297 WeakPolarHBondContact CA-O 3.37Å; V246-F297 HydrophobicContact CB-CB 4.46Å; V246-F297 HydrophobicContact CG1-CB 4.49Å; V246-F297 HydrophobicContact CG2-CB 4.02Å; V246-H299 HydrophobicContact CG1-CB 4.28Å
247	R	94.3	Very high	92.4	Very high	40 Å²	40	41.4 Å²	41.4	15%	0.151	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	146.1	-174.8	-61.9	173.8	-79.2	174.3	-8	111.5	P244 I249 E260 N296 F297 L298 H299	P244-R247 HydrophobicContact CG-CG 4.08Å; P244-R247 VanDerWaalsContact O-CG 3.31Å; P244-R247 WeakPolarHBondContact O-CG 3.07Å; R247-I249 PolarHBondContact O-N 3.3Å; R247-E260 IonicContact CZ-OE1 3.4Å; R247-E260 IonicContact CZ-OE2 3.95Å; R247-E260 IonicContact NH1-OE1 2.79Å; R247-E260 PolarHBondContact NH1-OE1 3.4Å; R247-E260 IonicContact NH1-OE2 3.6Å; R247-E260 IonicContact NH2-OE1 2.86Å; R247-E260 PolarHBondContact NH2-OE1 3.49Å; R247-E260 IonicContact NH2-OE2 2.64Å; R247-E260 PolarHBondContact NH2-OE2 2.75Å; R247-N296 VanDerWaalsContact NH2-CG 3.32Å; R247-N296 PolarHBondContact NH2-OD1 3.03Å; R247-F297 PolarHBondContact N-O 3.32Å; R247-L298 HydrophobicContact CB-CD2 3.88Å; R247-L298 CarbonylContact O-C 3.44Å; R247-L298 WeakPolarHBondContact O-CA 3.35Å; R247-H299 PolarHBondContact O-CD2 3.39Å; R247-H299 PolarHBondContact O-N 2.92Å
248	E	94.4	Very high	92.1	Very high	81 Å²	81	39.9 Å²	39.9	38%	0.379	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	127.1	169.7	-168.3	-178.9	170.1	0	0	108.7	T250 N253 H299	E248-T250 HydrophobicContact CG-CG2 3.95Å; E248-N253 PolarHBondContact O-ND2 3.4Å; E248-H299 CarbonylContact C-O 3.54Å; E248-H299 WeakPolarHBondContact CA-NE2 3.35Å; E248-H299 WeakPolarHBondContact CA-O 3.43Å; E248-H299 WeakPolarHBondContact CB-NE2 3.35Å; E248-H299 PolarHBondContact N-NE2 2.94Å
249	I	95.3	Very high	91.8	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-89.9	130	166	-177.4	158	0	0	0	109.5	R247 L257 F264 L298 H299 A300 F305 F389 L392	R247-I249 PolarHBondContact O-N 3.3Å; I249-L257 HydrophobicContact CB-CD1 3.84Å; I249-L257 HydrophobicContact CD1-CD1 3.9Å; I249-L257 HydrophobicContact CG1-CD1 3.79Å; I249-F264 HydrophobicContact CD1-CD2 4.16Å; I249-F264 HydrophobicContact CD1-CE2 3.6Å; I249-F264 HydrophobicContact CD1-CZ 4.35Å; I249-L298 HydrophobicContact CB-CD1 4.21Å; I249-L298 HydrophobicContact CD1-CD1 4.04Å; I249-L298 HydrophobicContact CG2-CB 4.37Å; I249-H299 PolarHBondContact N-O 3.05Å; I249-A300 HydrophobicContact CG2-CB 3.53Å; I249-F305 HydrophobicContact CG1-CZ 4.33Å; I249-F305 HydrophobicContact CG2-CZ 4.47Å; I249-F305 WeakPolarHBondContact O-CE2 3.47Å; I249-F305 WeakPolarHBondContact O-CZ 3.15Å; I249-F389 HydrophobicContact CD1-CD1 3.49Å; I249-F389 VanDerWaalsContact CD1-CD1 3.49Å; I249-F389 HydrophobicContact CD1-CE1 3.63Å; I249-F389 HydrophobicContact CG1-CE1 4.27Å; I249-F389 HydrophobicContact CG2-CE1 4.23Å; I249-L392 HydrophobicContact CD1-CD1 4.47Å
250	T	92.9	Very high	91.6	Very high	22 Å²	22	42.9 Å²	42.9	14%	0.135	21%	0.21	C	C	.	.			trans	-129.9	173.7	176.7	77.9	0	0	0	0	109.4	E248 E252 N253 G254	E248-T250 HydrophobicContact CG-CG2 3.95Å; T250-E252 WeakPolarHBondContact CB-OE2 3.33Å; T250-E252 PolarHBondContact O-N 3.45Å; T250-E252 PolarHBondContact OG1-N 2.88Å; T250-E252 PolarHBondContact OG1-OE2 3.17Å; T250-N253 PolarHBondContact N-OD1 3.06Å; T250-N253 PolarHBondContact O-OD1 3.44Å; T250-G254 PolarHBondContact O-N 3.39Å
251	F	89.6	Confident	91.4	Very high	119 Å²	119	40.1 Å²	40.1	52%	0.522	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-25	176.9	-66.6	-66.6	0	0	0	112.3	K304 F305 L392	F251-K304 HydrophobicContact CE2-CB 4.31Å; F251-K304 WeakPolarHBondContact CZ-O 3.46Å; F251-F305 HydrophobicContact CD1-CE1 4.34Å; F251-F305 HydrophobicContact CE1-CD1 4.36Å; F251-F305 AromaticContact CE1-CE1 3.95Å; F251-F305 HydrophobicContact CE1-CE1 3.95Å; F251-F305 HydrophobicContact CE1-CZ 4.49Å; F251-F305 HydrophobicContact CZ-CD1 4.33Å; F251-F305 HydrophobicContact CZ-CE1 4.18Å; F251-L392 HydrophobicContact CD1-CD2 4.21Å
252	E	87.8	Confident	91.4	Very high	148 Å²	148	40.3 Å²	40.3	69%	0.692	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-37.6	-178.9	-59.1	75.1	-163.7	0	0	112	T250	T250-E252 WeakPolarHBondContact CB-OE2 3.33Å; T250-E252 PolarHBondContact O-N 3.45Å; T250-E252 PolarHBondContact OG1-N 2.88Å; T250-E252 PolarHBondContact OG1-OE2 3.17Å
253	N	90.5	Very high	91.6	Very high	28 Å²	28	41.6 Å²	41.6	15%	0.15	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-7.6	-177.2	74.2	6.5	0	0	0	114.3	E248 T250 E255 E256 L257	E248-N253 PolarHBondContact O-ND2 3.4Å; T250-N253 PolarHBondContact N-OD1 3.06Å; T250-N253 PolarHBondContact O-OD1 3.44Å; N253-E255 VanDerWaalsContact C-N 3.28Å; N253-E255 PolarHBondContact O-N 3.27Å; N253-E256 WeakPolarHBondContact O-CB 3.47Å; N253-E256 PolarHBondContact O-N 3.49Å; N253-L257 PolarHBondContact O-N 2.93Å
254	G	92.4	Very high	92.1	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-57.7	-38.1	-177.3	0	0	0	0	0	113.8	T250 L257 T258	T250-G254 PolarHBondContact O-N 3.39Å; G254-L257 PolarHBondContact O-N 3.38Å; G254-T258 WeakPolarHBondContact O-CB 3.47Å; G254-T258 VanDerWaalsContact O-CG2 3.25Å; G254-T258 WeakPolarHBondContact O-CG2 3.27Å; G254-T258 PolarHBondContact O-N 2.64Å; G254-T258 PolarHBondContact O-OG1 3.03Å
255	E	92.4	Very high	92.5	Very high	21 Å²	21	38.3 Å²	38.3	10%	0.098	20%	0.198	C	C	.	.	H	α-helix	trans	-68.5	-32.7	176.4	-163.9	-174.5	112.9	0	0	112	R125 N253 T258 E259 L392 P394 R398 Y399	R125-E255 IonicContact CZ-OE1 3.91Å; R125-E255 IonicContact NH1-OE1 2.97Å; R125-E255 PolarHBondContact NH1-OE1 3.01Å; N253-E255 VanDerWaalsContact C-N 3.28Å; N253-E255 PolarHBondContact O-N 3.27Å; E255-T258 WeakPolarHBondContact CA-OG1 3.49Å; E255-T258 PolarHBondContact O-OG1 3.1Å; E255-E259 WeakPolarHBondContact O-CG 3.19Å; E255-E259 PolarHBondContact O-N 2.99Å; E255-L392 WeakPolarHBondContact CA-O 3.28Å; E255-L392 WeakPolarHBondContact CB-O 3.37Å; E255-P394 HydrophobicContact CG-CB 4.49Å; E255-P394 HydrophobicContact CG-CG 3.83Å; E255-R398 IonicContact OE2-CZ 3.91Å; E255-R398 IonicContact OE2-NH1 2.62Å; E255-R398 PolarHBondContact OE2-NH1 3.35Å; E255-Y399 VanDerWaalsContact OE1-CE2 3.29Å; E255-Y399 WeakPolarHBondContact OE1-CE2 3.36Å; E255-Y399 VanDerWaalsContact OE1-CZ 3.3Å; E255-Y399 PolarHBondContact OE1-OH 3.5Å
256	E	91.1	Very high	92.9	Very high	26 Å²	26	36.1 Å²	36.1	12%	0.121	19%	0.186	C	C	.	.	H	α-helix	trans	-69.8	-47.2	173.1	179.1	-173	165.1	0	0	111.3	K121 R122 N253 T258 E259 E260	K121-E256 VanDerWaalsContact CE-OE1 3.29Å; K121-E256 WeakPolarHBondContact CE-OE1 3.42Å; K121-E256 IonicContact NZ-OE1 2.74Å; R122-E256 IonicContact NE-OE2 3.3Å; N253-E256 WeakPolarHBondContact O-CB 3.47Å; N253-E256 PolarHBondContact O-N 3.49Å; E256-T258 VanDerWaalsContact C-N 3.29Å; E256-T258 PolarHBondContact O-N 3.04Å; E256-E259 PolarHBondContact O-N 3.42Å; E256-E260 PolarHBondContact O-N 3.17Å
257	L	92.2	Very high	93	Very high	4 Å²	4	36 Å²	36	2%	0.021	19%	0.185	C	C	.	.	H	α-helix	trans	-63.3	-35.6	-178.1	-69.6	171.7	0	0	0	112.3	I249 N253 G254 E260 F264 L298	I249-L257 HydrophobicContact CB-CD1 3.84Å; I249-L257 HydrophobicContact CD1-CD1 3.9Å; I249-L257 HydrophobicContact CG1-CD1 3.79Å; N253-L257 PolarHBondContact O-N 2.93Å; G254-L257 PolarHBondContact O-N 3.38Å; L257-E260 WeakPolarHBondContact O-CB 3.25Å; L257-E260 PolarHBondContact O-N 3.41Å; L257-F264 HydrophobicContact CB-CE1 4.13Å; L257-F264 HydrophobicContact CB-CZ 3.63Å; L257-F264 WeakPolarHBondContact O-CE1 3.44Å; L257-L298 HydrophobicContact CD1-CD1 4.17Å; L257-L298 HydrophobicContact CD1-CD2 3.86Å; L257-L298 HydrophobicContact CD2-CD2 4.08Å
258	T	91.1	Very high	93.2	Very high	11 Å²	11	34 Å²	34	7%	0.067	18%	0.178	C	C	.	.	H	α-helix	trans	-72.7	-30.1	178.5	47.7	0	0	0	0	112.5	G254 E255 E256 E260 G261 F264 F327 L392 A393	G254-T258 WeakPolarHBondContact O-CB 3.47Å; G254-T258 VanDerWaalsContact O-CG2 3.25Å; G254-T258 WeakPolarHBondContact O-CG2 3.27Å; G254-T258 PolarHBondContact O-N 2.64Å; G254-T258 PolarHBondContact O-OG1 3.03Å; E255-T258 WeakPolarHBondContact CA-OG1 3.49Å; E255-T258 PolarHBondContact O-OG1 3.1Å; E256-T258 VanDerWaalsContact C-N 3.29Å; E256-T258 PolarHBondContact O-N 3.04Å; T258-E260 PolarHBondContact O-N 2.83Å; T258-G261 PolarHBondContact O-N 2.85Å; T258-G261 VanDerWaalsContact O-N 3.13Å; T258-F264 HydrophobicContact CG2-CE2 3.95Å; T258-F264 HydrophobicContact CG2-CZ 3.72Å; T258-F327 HydrophobicContact CG2-CE1 3.76Å; T258-F327 HydrophobicContact CG2-CZ 3.92Å; T258-L392 HydrophobicContact CG2-CB 4.49Å; T258-A393 HydrophobicContact CG2-CB 4.41Å; T258-A393 WeakPolarHBondContact OG1-CA 3.48Å
259	E	89.3	Confident	93.4	Very high	63 Å²	63	30.7 Å²	30.7	29%	0.294	16%	0.162	S	C	.	.	H	α-helix	trans	-69.6	-18.5	174.6	-80.6	-179.5	-171.3	0	0	114.1	K107 R125 E255 E256 G261 P394	K107-E259 WeakPolarHBondContact CD-OE1 3.09Å; K107-E259 WeakPolarHBondContact CE-OE1 3.37Å; K107-E259 IonicContact NZ-OE1 3.46Å; K107-E259 PolarHBondContact NZ-OE1 3.02Å; K107-E259 IonicContact NZ-OE2 2.71Å; K107-E259 PolarHBondContact NZ-OE2 3.25Å; R125-E259 IonicContact CZ-OE1 2.86Å; R125-E259 IonicContact CZ-OE2 2.64Å; R125-E259 VanDerWaalsContact NH1-CD 3.29Å; R125-E259 IonicContact NH1-OE1 3.55Å; R125-E259 PolarHBondContact NH1-OE1 3.02Å; R125-E259 IonicContact NH1-OE2 3.37Å; R125-E259 PolarHBondContact NH1-OE2 2.85Å; R125-E259 VanDerWaalsContact NH2-CD 3.29Å; R125-E259 IonicContact NH2-OE1 3.54Å; R125-E259 IonicContact NH2-OE2 3.74Å; R125-E259 PolarHBondContact NH2-OE2 3.17Å; E255-E259 WeakPolarHBondContact O-CG 3.19Å; E255-E259 PolarHBondContact O-N 2.99Å; E256-E259 PolarHBondContact O-N 3.42Å; E259-G261 PolarHBondContact O-N 3.48Å; E259-P394 HydrophobicContact CG-CG 3.58Å; E259-P394 WeakPolarHBondContact OE1-CG 3.12Å
260	E	89.6	Confident	93.5	Very high	72 Å²	72	33.6 Å²	33.6	34%	0.336	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-18.2	170.5	-60.4	-176.9	-173.4	0	0	111.9	R247 E256 L257 T258 L262 N296	R247-E260 IonicContact CZ-OE1 3.4Å; R247-E260 IonicContact CZ-OE2 3.95Å; R247-E260 IonicContact NH1-OE1 2.79Å; R247-E260 PolarHBondContact NH1-OE1 3.4Å; R247-E260 IonicContact NH1-OE2 3.6Å; R247-E260 IonicContact NH2-OE1 2.86Å; R247-E260 PolarHBondContact NH2-OE1 3.49Å; R247-E260 IonicContact NH2-OE2 2.64Å; R247-E260 PolarHBondContact NH2-OE2 2.75Å; E256-E260 PolarHBondContact O-N 3.17Å; L257-E260 WeakPolarHBondContact O-CB 3.25Å; L257-E260 PolarHBondContact O-N 3.41Å; T258-E260 PolarHBondContact O-N 2.83Å; E260-L262 PolarHBondContact O-N 3.01Å; E260-N296 PolarHBondContact OE2-ND2 3Å; E260-N296 PolarHBondContact OE2-OD1 3.3Å
261	G	87.6	Confident	93.5	Very high	51 Å²	51	39.9 Å²	39.9	53%	0.526	20%	0.203	S	C	.	.			trans	74.8	4.1	172.6	0	0	0	0	0	114.8	T258 E259	T258-G261 PolarHBondContact O-N 2.85Å; T258-G261 VanDerWaalsContact O-N 3.13Å; E259-G261 PolarHBondContact O-N 3.48Å
262	L	93.1	Very high	93.6	Very high	41 Å²	41	41.2 Å²	41.2	22%	0.215	21%	0.211	C	C	.	.			trans	-92.6	140.9	177.2	-58	-179.7	0	0	0	110.7	E260 F264 G293 N296 F327	E260-L262 PolarHBondContact O-N 3.01Å; L262-F264 WeakPolarHBondContact O-CD1 3.27Å; L262-G293 WeakPolarHBondContact CD2-O 3.16Å; L262-N296 HydrophobicContact CB-CB 4.44Å; L262-F327 WeakPolarHBondContact O-CE2 3.46Å; L262-F327 WeakPolarHBondContact O-CZ 3.48Å
263	P	96.7	Very high	94	Very high	28 Å²	28	36 Å²	36	18%	0.182	19%	0.188	C	C	.	.			trans	-52.5	158.4	167.5	-24.5	34.1	0	0	0	111.9	I295 N296 D325 L352	P263-I295 HydrophobicContact CB-CD1 4.4Å; P263-I295 HydrophobicContact CB-CG1 4.21Å; P263-I295 VanDerWaalsContact O-CG1 3.29Å; P263-I295 WeakPolarHBondContact O-CG1 3.47Å; P263-N296 PolarHBondContact O-N 2.76Å; P263-D325 WeakPolarHBondContact CA-O 2.99Å; P263-L352 HydrophobicContact CB-CD2 3.95Å; P263-L352 HydrophobicContact CG-CD2 4.17Å
264	F	98.1	Very high	94	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	131	178.4	-65.2	-10.9	0	0	0	110.7	I249 L257 T258 L262 I266 N296 L298 I324 D325 F327 F389	I249-F264 HydrophobicContact CD1-CD2 4.16Å; I249-F264 HydrophobicContact CD1-CE2 3.6Å; I249-F264 HydrophobicContact CD1-CZ 4.35Å; L257-F264 HydrophobicContact CB-CE1 4.13Å; L257-F264 HydrophobicContact CB-CZ 3.63Å; L257-F264 WeakPolarHBondContact O-CE1 3.44Å; T258-F264 HydrophobicContact CG2-CE2 3.95Å; T258-F264 HydrophobicContact CG2-CZ 3.72Å; L262-F264 WeakPolarHBondContact O-CD1 3.27Å; F264-I266 HydrophobicContact CB-CD1 3.74Å; F264-I266 HydrophobicContact CB-CG1 3.59Å; F264-I266 HydrophobicContact CD2-CD1 3.99Å; F264-I266 HydrophobicContact CG-CD1 4.36Å; F264-N296 HydrophobicContact CD1-CB 3.82Å; F264-N296 HydrophobicContact CE1-CB 4.21Å; F264-L298 HydrophobicContact CB-CD1 3.97Å; F264-L298 HydrophobicContact CD1-CD1 3.67Å; F264-L298 HydrophobicContact CD2-CD1 3.59Å; F264-L298 HydrophobicContact CE1-CD1 3.95Å; F264-L298 HydrophobicContact CE2-CD1 3.88Å; F264-L298 HydrophobicContact CG-CD1 3.47Å; F264-L298 VanDerWaalsContact CG-CD1 3.47Å; F264-L298 HydrophobicContact CZ-CD1 4.04Å; F264-I324 CarbonylContact O-C 3.57Å; F264-I324 WeakPolarHBondContact O-CA 3.31Å; F264-D325 HydrophobicContact CB-CB 4.39Å; F264-D325 PolarHBondContact N-O 2.86Å; F264-D325 PolarHBondContact O-N 3.04Å; F264-F327 HydrophobicContact CD1-CE1 4.42Å; F264-F327 AromaticContact CD1-CZ 3.92Å; F264-F327 HydrophobicContact CD1-CZ 3.92Å; F264-F327 HydrophobicContact CD2-CE1 4.12Å; F264-F327 HydrophobicContact CD2-CZ 4.39Å; F264-F327 HydrophobicContact CE1-CE1 4.23Å; F264-F327 AromaticContact CE1-CZ 3.57Å; F264-F327 HydrophobicContact CE1-CZ 3.57Å; F264-F327 AromaticContact CE2-CE1 3.91Å; F264-F327 HydrophobicContact CE2-CE1 3.91Å; F264-F327 HydrophobicContact CE2-CZ 4.07Å; F264-F327 HydrophobicContact CG-CE1 4.38Å; F264-F327 HydrophobicContact CG-CZ 4.33Å; F264-F327 AromaticContact CZ-CE1 3.97Å; F264-F327 HydrophobicContact CZ-CE1 3.97Å; F264-F327 AromaticContact CZ-CZ 3.65Å; F264-F327 HydrophobicContact CZ-CZ 3.65Å; F264-F389 HydrophobicContact CD2-CB 3.89Å; F264-F389 HydrophobicContact CD2-CD1 4.15Å; F264-F389 AromaticContact CD2-CG 3.97Å; F264-F389 HydrophobicContact CD2-CG 3.97Å; F264-F389 HydrophobicContact CE2-CB 3.91Å; F264-F389 HydrophobicContact CE2-CD1 4.15Å; F264-F389 HydrophobicContact CE2-CG 4.21Å
265	L	98.4	Very high	94	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	109.4	160	178	67.2	0	0	0	107.7	F280 L288 I295 N296 F297 L298 I322 I324 L345 F348 V349	L265-F280 HydrophobicContact CD2-CE2 4.3Å; L265-F280 HydrophobicContact CD2-CZ 4.17Å; L265-F280 HydrophobicContact CG-CE2 4.39Å; L265-F280 HydrophobicContact CG-CZ 4.06Å; L265-L288 HydrophobicContact CD2-CD1 3.5Å; L265-I295 HydrophobicContact CB-CD1 3.71Å; L265-I295 HydrophobicContact CB-CG1 4.07Å; L265-N296 PolarHBondContact N-O 3.16Å; L265-F297 HydrophobicContact CB-CD1 4.33Å; L265-F297 HydrophobicContact CD2-CD1 3.97Å; L265-F297 HydrophobicContact CD2-CE1 4.33Å; L265-L298 PolarHBondContact O-N 3.23Å; L265-I322 HydrophobicContact CD1-CG2 3.72Å; L265-I324 HydrophobicContact CB-CG1 4.47Å; L265-I324 HydrophobicContact CD1-CD1 4.24Å; L265-I324 HydrophobicContact CD1-CG1 3.61Å; L265-L345 HydrophobicContact CD2-CD1 4.28Å; L265-F348 HydrophobicContact CD1-CD1 4.15Å; L265-F348 HydrophobicContact CD1-CE1 4.2Å; L265-V349 HydrophobicContact CD2-CG2 4.16Å
266	I	98.4	Very high	94.3	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	127.7	-168	-44.6	178.7	0	0	0	110	F264 F268 L298 A300 I322 A323 F389	F264-I266 HydrophobicContact CB-CD1 3.74Å; F264-I266 HydrophobicContact CB-CG1 3.59Å; F264-I266 HydrophobicContact CD2-CD1 3.99Å; F264-I266 HydrophobicContact CG-CD1 4.36Å; I266-F268 HydrophobicContact CB-CE2 4.1Å; I266-F268 HydrophobicContact CB-CZ 4.48Å; I266-F268 HydrophobicContact CD1-CZ 4.39Å; I266-F268 HydrophobicContact CG2-CD2 4.26Å; I266-F268 HydrophobicContact CG2-CE1 4.37Å; I266-F268 HydrophobicContact CG2-CE2 4.01Å; I266-F268 HydrophobicContact CG2-CZ 4.08Å; I266-L298 WeakPolarHBondContact CA-O 3.47Å; I266-L298 HydrophobicContact CG1-CB 4.26Å; I266-L298 HydrophobicContact CG2-CB 4.41Å; I266-A300 HydrophobicContact CG2-CB 3.98Å; I266-I322 WeakPolarHBondContact O-CA 3.45Å; I266-A323 PolarHBondContact N-O 3.39Å; I266-A323 PolarHBondContact O-N 3.38Å; I266-F389 HydrophobicContact CD1-CD1 4.3Å; I266-F389 HydrophobicContact CD1-CD2 3.67Å; I266-F389 HydrophobicContact CD1-CE1 3.97Å; I266-F389 HydrophobicContact CD1-CE2 3.3Å; I266-F389 HydrophobicContact CD1-CG 4.17Å; I266-F389 HydrophobicContact CD1-CZ 3.46Å; I266-F389 VanDerWaalsContact CD1-CZ 3.46Å
267	L	98.6	Very high	94.5	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	116.3	158.8	173.2	67.9	0	0	0	109.8	H269 L277 F280 L298 H299 A300 P320 I322 F336	L267-H269 HydrophobicContact CD2-CB 4.29Å; L267-H269 HydrophobicContact CG-CB 4.23Å; L267-L277 HydrophobicContact CD2-CB 4.32Å; L267-L277 HydrophobicContact CD2-CD1 4.14Å; L267-F280 HydrophobicContact CB-CB 4.5Å; L267-F280 HydrophobicContact CB-CD1 3.61Å; L267-F280 HydrophobicContact CB-CD2 4.31Å; L267-F280 HydrophobicContact CB-CE1 3.77Å; L267-F280 HydrophobicContact CB-CE2 4.45Å; L267-F280 HydrophobicContact CB-CG 3.89Å; L267-F280 HydrophobicContact CB-CZ 4.2Å; L267-F280 HydrophobicContact CD2-CB 3.65Å; L267-F280 HydrophobicContact CD2-CD1 4.03Å; L267-F280 HydrophobicContact CD2-CG 3.96Å; L267-F280 HydrophobicContact CG-CD1 4.43Å; L267-F280 HydrophobicContact CG-CG 4.42Å; L267-L298 PolarHBondContact N-O 3.33Å; L267-H299 HydrophobicContact CB-CB 4.21Å; L267-H299 CarbonylContact O-C 3.46Å; L267-H299 WeakPolarHBondContact O-CA 3.34Å; L267-A300 PolarHBondContact O-N 2.81Å; L267-P320 HydrophobicContact CD1-CB 4.02Å; L267-I322 HydrophobicContact CD1-CG1 3.79Å; L267-F336 HydrophobicContact CD1-CD2 4.2Å; L267-F336 HydrophobicContact CD1-CE2 3.74Å
268	F	98.4	Very high	94.5	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	120.4	163.5	-65	-85	0	0	0	109.2	I266 A300 C302 F305 P308 L309 P320 V321 A323 F389	I266-F268 HydrophobicContact CB-CE2 4.1Å; I266-F268 HydrophobicContact CB-CZ 4.48Å; I266-F268 HydrophobicContact CD1-CZ 4.39Å; I266-F268 HydrophobicContact CG2-CD2 4.26Å; I266-F268 HydrophobicContact CG2-CE1 4.37Å; I266-F268 HydrophobicContact CG2-CE2 4.01Å; I266-F268 HydrophobicContact CG2-CZ 4.08Å; F268-A300 WeakPolarHBondContact CA-O 3.36Å; F268-A300 HydrophobicContact CD1-CB 3.93Å; F268-A300 HydrophobicContact CE1-CB 4.03Å; F268-C302 VanDerWaalsContact CB-SG 3.57Å; F268-F305 HydrophobicContact CD1-CB 4.35Å; F268-F305 HydrophobicContact CE1-CB 3.94Å; F268-P308 HydrophobicContact CE1-CB 4.48Å; F268-P308 HydrophobicContact CZ-CB 4.42Å; F268-L309 HydrophobicContact CB-CD2 3.87Å; F268-L309 HydrophobicContact CD1-CD1 4.43Å; F268-L309 HydrophobicContact CD1-CD2 3.91Å; F268-L309 HydrophobicContact CD1-CG 4.01Å; F268-L309 HydrophobicContact CD2-CD2 3.93Å; F268-L309 HydrophobicContact CE1-CD2 4.4Å; F268-L309 HydrophobicContact CE1-CG 4.33Å; F268-L309 HydrophobicContact CE2-CD2 4.42Å; F268-L309 HydrophobicContact CG-CD2 3.63Å; F268-L309 HydrophobicContact CG-CG 4.25Å; F268-P320 VanDerWaalsContact O-CA 3.31Å; F268-P320 WeakPolarHBondContact O-CA 3.38Å; F268-V321 HydrophobicContact CB-CB 4.39Å; F268-V321 PolarHBondContact N-O 3.44Å; F268-V321 PolarHBondContact O-N 3.49Å; F268-A323 HydrophobicContact CE2-CB 4.21Å; F268-F389 HydrophobicContact CE1-CE2 4.39Å; F268-F389 AromaticContact CE1-CZ 3.95Å; F268-F389 HydrophobicContact CE1-CZ 3.95Å; F268-F389 AromaticContact CZ-CE2 3.71Å; F268-F389 HydrophobicContact CZ-CE2 3.71Å; F268-F389 AromaticContact CZ-CZ 3.7Å; F268-F389 HydrophobicContact CZ-CZ 3.7Å
269	H	98	Very high	94.8	Very high	11 Å²	11	52.4 Å²	52.4	5%	0.051	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	159.3	176.2	69.3	102.3	0	0	0	111.3	L267 D273 H299 A300 C302	L267-H269 HydrophobicContact CD2-CB 4.29Å; L267-H269 HydrophobicContact CG-CB 4.23Å; H269-D273 PolarHBondContact ND1-O 3.04Å; H269-H299 AromaticContact CD2-ND1 3.88Å; H269-H299 AromaticContact CE1-ND1 3.95Å; H269-H299 AromaticContact NE2-CE1 3.89Å; H269-H299 AromaticContact NE2-CG 3.74Å; H269-H299 AromaticContact NE2-ND1 2.93Å; H269-H299 PolarHBondContact NE2-ND1 2.81Å; H269-A300 PolarHBondContact N-O 3.17Å; H269-A300 VanDerWaalsContact N-O 3.08Å; H269-C302 WeakPolarHBondContact CA-SG 3.1Å; H269-C302 PolarHBondContact N-SG 2.64Å; H269-C302 PolarHBondContact O-N 2.82Å; H269-C302 PolarHBondContact O-SG 3.3Å; H269-C302 VanDerWaalsContact O-SG 3.4Å
270	L	97.3	Very high	95.2	Very high	60 Å²	60	49.4 Å²	49.4	31%	0.314	26%	0.258	S	S	.	.			trans	-70.5	149.5	169.7	-65.7	172.2	0	0	0	109.3	E272 D273 C302 P316	L270-E272 PolarHBondContact O-N 3.29Å; L270-E272 VanDerWaalsContact O-N 3.15Å; L270-D273 HydrophobicContact CB-CB 4.3Å; L270-D273 PolarHBondContact O-N 2.63Å; L270-C302 HydrophobicContact CD2-CB 4.23Å; L270-P316 HydrophobicContact CD2-CB 4.25Å
271	K	93.1	Very high	95.4	Very high	155 Å²	155	48.8 Å²	48.8	67%	0.674	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-33.9	-176.6	-175.4	179.6	178.8	-174.3	0	112.9
272	E	92.6	Very high	95.8	Very high	146 Å²	146	50.6 Å²	50.6	68%	0.682	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-15.7	-179.4	-56.7	70.9	-153.2	0	0	113	L270 S274	L270-E272 PolarHBondContact O-N 3.29Å; L270-E272 VanDerWaalsContact O-N 3.15Å; E272-S274 VanDerWaalsContact C-N 3.32Å; E272-S274 PolarHBondContact O-N 2.68Å
273	D	94.3	Very high	95.9	Very high	39 Å²	39	49.7 Å²	49.7	21%	0.209	25%	0.248	C	C	.	.			trans	-84.3	73.6	-179.8	-176.5	10.7	0	0	0	111.2	H269 L270 E275 S276	H269-D273 PolarHBondContact ND1-O 3.04Å; L270-D273 HydrophobicContact CB-CB 4.3Å; L270-D273 PolarHBondContact O-N 2.63Å; D273-E275 VanDerWaalsContact C-N 3.34Å; D273-S276 WeakPolarHBondContact OD1-CB 3.42Å; D273-S276 PolarHBondContact OD1-N 2.62Å; D273-S276 PolarHBondContact OD1-OG 3.35Å; D273-S276 VanDerWaalsContact OD1-OG 3.05Å; D273-S276 WeakPolarHBondContact OD2-CB 3.32Å; D273-S276 PolarHBondContact OD2-OG 2.96Å
274	S	90.6	Very high	95.9	Very high	84 Å²	84	48.3 Å²	48.3	59%	0.587	24%	0.239	S	C	*	.	H	α-helix	trans	-73.4	-25.5	174.8	56.7	0	0	0	0	113	E272 L277 E278	E272-S274 VanDerWaalsContact C-N 3.32Å; E272-S274 PolarHBondContact O-N 2.68Å; S274-L277 PolarHBondContact O-N 2.7Å; S274-E278 WeakPolarHBondContact O-CB 3.38Å; S274-E278 PolarHBondContact O-N 2.92Å
275	E	94.3	Very high	95.7	Very high	118 Å²	118	51.8 Å²	51.8	55%	0.551	26%	0.26	S	S	*	.	H	α-helix	trans	-67	-44.4	-178	-170.7	-172.2	159.5	0	0	111.3	D273 L277 E278 K279	D273-E275 VanDerWaalsContact C-N 3.34Å; E275-L277 VanDerWaalsContact C-N 3.33Å; E275-E278 PolarHBondContact O-N 2.93Å; E275-K279 WeakPolarHBondContact O-CG 3.49Å; E275-K279 PolarHBondContact O-N 3.19Å; E275-K279 VanDerWaalsContact OE1-CE 3.28Å; E275-K279 WeakPolarHBondContact OE1-CE 3.43Å; E275-K279 IonicContact OE1-NZ 2.79Å; E275-K279 PolarHBondContact OE1-NZ 3.25Å
276	S	96.8	Very high	95.5	Very high	10 Å²	10	58.5 Å²	58.5	7%	0.07	29%	0.286	C	S	.	.	H	α-helix	trans	-65.7	-37.9	176.1	-63.1	0	0	0	0	112.2	D273 K279 F280	D273-S276 WeakPolarHBondContact OD1-CB 3.42Å; D273-S276 PolarHBondContact OD1-N 2.62Å; D273-S276 PolarHBondContact OD1-OG 3.35Å; D273-S276 VanDerWaalsContact OD1-OG 3.05Å; D273-S276 WeakPolarHBondContact OD2-CB 3.32Å; D273-S276 PolarHBondContact OD2-OG 2.96Å; S276-K279 PolarHBondContact O-N 2.68Å; S276-F280 WeakPolarHBondContact O-CB 3.43Å; S276-F280 PolarHBondContact O-N 3.08Å
277	L	95.6	Very high	95.3	Very high	27 Å²	27	59.6 Å²	59.6	14%	0.141	29%	0.291	C	S	.	.	H	α-helix	trans	-63	-46.4	175.6	178.6	59	0	0	0	111.5	L267 S274 E275 K279 F280 Q281 H299	L267-L277 HydrophobicContact CD2-CB 4.32Å; L267-L277 HydrophobicContact CD2-CD1 4.14Å; S274-L277 PolarHBondContact O-N 2.7Å; E275-L277 VanDerWaalsContact C-N 3.33Å; L277-K279 PolarHBondContact O-N 2.93Å; L277-F280 PolarHBondContact O-N 3.39Å; L277-Q281 HydrophobicContact CD1-CG 4.14Å; L277-Q281 HydrophobicContact CG-CG 4.46Å; L277-Q281 WeakPolarHBondContact O-CB 3.43Å; L277-Q281 VanDerWaalsContact O-CG 3.29Å; L277-Q281 WeakPolarHBondContact O-CG 3.17Å; L277-Q281 PolarHBondContact O-N 3.01Å; L277-H299 HydrophobicContact CD1-CB 3.69Å
278	E	93.5	Very high	95.2	Very high	116 Å²	116	59.6 Å²	59.6	54%	0.542	29%	0.291	S	S	.	.	H	α-helix	trans	-61.4	-45.5	178	-172.2	-175.1	168.6	0	0	111.4	S274 E275 F280 Q281 N282	S274-E278 WeakPolarHBondContact O-CB 3.38Å; S274-E278 PolarHBondContact O-N 2.92Å; E275-E278 PolarHBondContact O-N 2.93Å; E278-F280 VanDerWaalsContact C-N 3.33Å; E278-F280 PolarHBondContact O-N 2.91Å; E278-Q281 PolarHBondContact O-N 2.75Å; E278-N282 WeakPolarHBondContact O-CB 3.45Å; E278-N282 VanDerWaalsContact O-CG 3.27Å; E278-N282 PolarHBondContact O-N 2.76Å; E278-N282 PolarHBondContact O-ND2 2.98Å
279	K	96.1	Very high	94.9	Very high	80 Å²	80	64.9 Å²	64.9	35%	0.348	32%	0.318	S	S	.	.	H	α-helix	trans	-57.2	-46.4	175.2	-74.5	172.3	-174	165.1	0	111.6	E275 S276 L277 N282 E283 L339	E275-K279 WeakPolarHBondContact O-CG 3.49Å; E275-K279 PolarHBondContact O-N 3.19Å; E275-K279 VanDerWaalsContact OE1-CE 3.28Å; E275-K279 WeakPolarHBondContact OE1-CE 3.43Å; E275-K279 IonicContact OE1-NZ 2.79Å; E275-K279 PolarHBondContact OE1-NZ 3.25Å; S276-K279 PolarHBondContact O-N 2.68Å; L277-K279 PolarHBondContact O-N 2.93Å; K279-N282 PolarHBondContact O-N 3.32Å; K279-E283 WeakPolarHBondContact O-CG 3.33Å; K279-E283 PolarHBondContact O-N 3.25Å; K279-L339 HydrophobicContact CB-CD2 4.21Å
280	F	97.7	Very high	94.6	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-64.4	-45	178.8	-179.9	-110.2	0	0	0	112.3	V246 L265 L267 S276 L277 E278 N282 E283 V284 I322 L339	V246-F280 HydrophobicContact CG1-CD1 4Å; V246-F280 HydrophobicContact CG1-CE1 3.71Å; V246-F280 HydrophobicContact CG2-CD1 4.47Å; V246-F280 HydrophobicContact CG2-CE1 4.34Å; L265-F280 HydrophobicContact CD2-CE2 4.3Å; L265-F280 HydrophobicContact CD2-CZ 4.17Å; L265-F280 HydrophobicContact CG-CE2 4.39Å; L265-F280 HydrophobicContact CG-CZ 4.06Å; L267-F280 HydrophobicContact CB-CB 4.5Å; L267-F280 HydrophobicContact CB-CD1 3.61Å; L267-F280 HydrophobicContact CB-CD2 4.31Å; L267-F280 HydrophobicContact CB-CE1 3.77Å; L267-F280 HydrophobicContact CB-CE2 4.45Å; L267-F280 HydrophobicContact CB-CG 3.89Å; L267-F280 HydrophobicContact CB-CZ 4.2Å; L267-F280 HydrophobicContact CD2-CB 3.65Å; L267-F280 HydrophobicContact CD2-CD1 4.03Å; L267-F280 HydrophobicContact CD2-CG 3.96Å; L267-F280 HydrophobicContact CG-CD1 4.43Å; L267-F280 HydrophobicContact CG-CG 4.42Å; S276-F280 WeakPolarHBondContact O-CB 3.43Å; S276-F280 PolarHBondContact O-N 3.08Å; L277-F280 PolarHBondContact O-N 3.39Å; E278-F280 VanDerWaalsContact C-N 3.33Å; E278-F280 PolarHBondContact O-N 2.91Å; F280-N282 VanDerWaalsContact C-N 3.33Å; F280-N282 PolarHBondContact O-N 2.87Å; F280-E283 PolarHBondContact O-N 3.02Å; F280-V284 HydrophobicContact CD1-CG2 4.2Å; F280-V284 HydrophobicContact CD2-CG2 4.13Å; F280-V284 HydrophobicContact CE1-CG2 3.87Å; F280-V284 HydrophobicContact CE2-CG2 3.79Å; F280-V284 HydrophobicContact CG-CG2 4.33Å; F280-V284 HydrophobicContact CZ-CG2 3.65Å; F280-V284 WeakPolarHBondContact O-CB 3.41Å; F280-V284 VanDerWaalsContact O-CG2 3.26Å; F280-V284 WeakPolarHBondContact O-CG2 3.46Å; F280-V284 PolarHBondContact O-N 3.45Å; F280-I322 HydrophobicContact CD2-CD1 3.73Å; F280-I322 HydrophobicContact CD2-CG1 4.17Å; F280-I322 HydrophobicContact CE2-CD1 4Å; F280-I322 HydrophobicContact CE2-CG1 4.18Å; F280-I322 HydrophobicContact CE2-CG2 4.3Å; F280-L339 HydrophobicContact CB-CD2 4.19Å; F280-L339 HydrophobicContact CD2-CD1 4.14Å; F280-L339 HydrophobicContact CD2-CD2 4.48Å
281	Q	95.1	Very high	94.5	Very high	59 Å²	59	66.8 Å²	66.8	28%	0.276	33%	0.334	S	S	.	.	H	α-helix	trans	-59.1	-43.5	176.5	-74.2	172.6	-14.5	0	0	112.4	V246 L277 E278 T285	V246-Q281 HydrophobicContact CB-CG 3.98Å; V246-Q281 HydrophobicContact CG2-CB 4.48Å; V246-Q281 HydrophobicContact CG2-CG 3.91Å; L277-Q281 HydrophobicContact CD1-CG 4.14Å; L277-Q281 HydrophobicContact CG-CG 4.46Å; L277-Q281 WeakPolarHBondContact O-CB 3.43Å; L277-Q281 VanDerWaalsContact O-CG 3.29Å; L277-Q281 WeakPolarHBondContact O-CG 3.17Å; L277-Q281 PolarHBondContact O-N 3.01Å; E278-Q281 PolarHBondContact O-N 2.75Å; Q281-T285 WeakPolarHBondContact O-CB 3.49Å; Q281-T285 PolarHBondContact O-N 3.23Å; Q281-T285 PolarHBondContact O-OG1 3.49Å
282	N	94.6	Very high	94.3	Very high	89 Å²	89	66 Å²	66	48%	0.476	33%	0.33	S	S	.	.	H	α-helix	trans	-63	-44.2	177.2	-73.5	-26.4	0	0	0	111.5	E278 K279 F280 T285 R286	E278-N282 WeakPolarHBondContact O-CB 3.45Å; E278-N282 VanDerWaalsContact O-CG 3.27Å; E278-N282 PolarHBondContact O-N 2.76Å; E278-N282 PolarHBondContact O-ND2 2.98Å; K279-N282 PolarHBondContact O-N 3.32Å; F280-N282 VanDerWaalsContact C-N 3.33Å; F280-N282 PolarHBondContact O-N 2.87Å; N282-T285 PolarHBondContact O-N 2.72Å; N282-R286 VanDerWaalsContact O-CB 3.28Å; N282-R286 WeakPolarHBondContact O-CB 2.93Å; N282-R286 PolarHBondContact O-N 2.95Å
283	E	96.7	Very high	94.2	Very high	21 Å²	21	62.1 Å²	62.1	10%	0.098	33%	0.33	C	S	.	.	H	α-helix	trans	-72.6	-36.2	-179.6	-68.5	-58.3	162.1	0	0	113.5	K279 F280 R286 Q287 L339 L345	K279-E283 WeakPolarHBondContact O-CG 3.33Å; K279-E283 PolarHBondContact O-N 3.25Å; F280-E283 PolarHBondContact O-N 3.02Å; E283-R286 VanDerWaalsContact CD-NH2 3.26Å; E283-R286 PolarHBondContact O-N 3.13Å; E283-R286 IonicContact OE1-CZ 3.54Å; E283-R286 IonicContact OE1-NE 3.87Å; E283-R286 IonicContact OE1-NH2 3.45Å; E283-R286 PolarHBondContact OE1-NH2 3.15Å; E283-R286 IonicContact OE2-CZ 3.63Å; E283-R286 IonicContact OE2-NE 3.29Å; E283-R286 PolarHBondContact OE2-NE 2.99Å; E283-R286 IonicContact OE2-NH2 2.77Å; E283-R286 PolarHBondContact OE2-NH2 2.95Å; E283-Q287 VanDerWaalsContact O-CB 3.3Å; E283-Q287 WeakPolarHBondContact O-CB 3.39Å; E283-Q287 WeakPolarHBondContact O-CG 3.29Å; E283-Q287 PolarHBondContact O-N 3.49Å; E283-Q287 PolarHBondContact OE2-NE2 2.86Å; E283-L339 HydrophobicContact CB-CD1 3.92Å; E283-L339 HydrophobicContact CB-CG 4.2Å; E283-L339 HydrophobicContact CG-CD1 4.27Å; E283-L339 HydrophobicContact CG-CG 4.01Å; E283-L345 HydrophobicContact CB-CD2 4.26Å
284	V	96.6	Very high	94.2	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-59.9	-48.2	170.2	169.5	0	0	0	0	110.1	L245 V246 F280 R286 L288 F297 L345	L245-V284 HydrophobicContact CD2-CG1 3.85Å; L245-V284 HydrophobicContact CG-CG1 4.13Å; V246-V284 HydrophobicContact CG2-CB 4.07Å; V246-V284 HydrophobicContact CG2-CG1 3.95Å; V246-V284 HydrophobicContact CG2-CG2 4.18Å; F280-V284 HydrophobicContact CD1-CG2 4.2Å; F280-V284 HydrophobicContact CD2-CG2 4.13Å; F280-V284 HydrophobicContact CE1-CG2 3.87Å; F280-V284 HydrophobicContact CE2-CG2 3.79Å; F280-V284 HydrophobicContact CG-CG2 4.33Å; F280-V284 HydrophobicContact CZ-CG2 3.65Å; F280-V284 WeakPolarHBondContact O-CB 3.41Å; F280-V284 VanDerWaalsContact O-CG2 3.26Å; F280-V284 WeakPolarHBondContact O-CG2 3.46Å; F280-V284 PolarHBondContact O-N 3.45Å; V284-R286 VanDerWaalsContact C-N 3.33Å; V284-R286 PolarHBondContact O-N 3.46Å; V284-L288 HydrophobicContact CG1-CB 4.38Å; V284-L288 HydrophobicContact CG2-CD1 4.27Å; V284-L288 WeakPolarHBondContact O-CA 3.47Å; V284-L288 WeakPolarHBondContact O-CB 2.92Å; V284-L288 PolarHBondContact O-N 2.85Å; V284-F297 HydrophobicContact CG1-CB 3.97Å; V284-F297 HydrophobicContact CG1-CD1 3.81Å; V284-F297 HydrophobicContact CG1-CD2 3.59Å; V284-F297 HydrophobicContact CG1-CE1 4.19Å; V284-F297 HydrophobicContact CG1-CE2 3.98Å; V284-F297 HydrophobicContact CG1-CG 3.49Å; V284-F297 VanDerWaalsContact CG1-CG 3.49Å; V284-F297 HydrophobicContact CG1-CZ 4.27Å; V284-F297 HydrophobicContact CG2-CD1 4.47Å; V284-L345 HydrophobicContact CG2-CD2 4.24Å
285	T	93.8	Very high	94.5	Very high	73 Å²	73	57.8 Å²	57.8	45%	0.448	30%	0.302	S	S	.	.	H	α-helix	trans	-61.4	-42.8	179.1	-57.3	0	0	0	0	111.6	Q281 N282	Q281-T285 WeakPolarHBondContact O-CB 3.49Å; Q281-T285 PolarHBondContact O-N 3.23Å; Q281-T285 PolarHBondContact O-OG1 3.49Å; N282-T285 PolarHBondContact O-N 2.72Å
286	R	94	Very high	94.6	Very high	141 Å²	141	52.5 Å²	52.5	53%	0.532	28%	0.278	S	S	.	.	H	α-helix	trans	-71.8	-41.7	-177.8	-173.6	176.5	73.8	146	0.1	113.1	N282 E283 V284 T340	N282-R286 VanDerWaalsContact O-CB 3.28Å; N282-R286 WeakPolarHBondContact O-CB 2.93Å; N282-R286 PolarHBondContact O-N 2.95Å; E283-R286 VanDerWaalsContact CD-NH2 3.26Å; E283-R286 PolarHBondContact O-N 3.13Å; E283-R286 IonicContact OE1-CZ 3.54Å; E283-R286 IonicContact OE1-NE 3.87Å; E283-R286 IonicContact OE1-NH2 3.45Å; E283-R286 PolarHBondContact OE1-NH2 3.15Å; E283-R286 IonicContact OE2-CZ 3.63Å; E283-R286 IonicContact OE2-NE 3.29Å; E283-R286 PolarHBondContact OE2-NE 2.99Å; E283-R286 IonicContact OE2-NH2 2.77Å; E283-R286 PolarHBondContact OE2-NH2 2.95Å; V284-R286 VanDerWaalsContact C-N 3.33Å; V284-R286 PolarHBondContact O-N 3.46Å; R286-T340 PolarHBondContact NH2-O 2.82Å
287	Q	94.9	Very high	94.7	Very high	22 Å²	22	52.2 Å²	52.2	10%	0.103	28%	0.276	C	S	.	.	H	α-helix	trans	-106.5	-27	-167	-57.5	-169.4	49	0	0	114.3	E283	E283-Q287 VanDerWaalsContact O-CB 3.3Å; E283-Q287 WeakPolarHBondContact O-CB 3.39Å; E283-Q287 WeakPolarHBondContact O-CG 3.29Å; E283-Q287 PolarHBondContact O-N 3.49Å; E283-Q287 PolarHBondContact OE2-NE2 2.86Å
288	L	95.5	Very high	94.8	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.269	C	S	.	.			trans	-120.9	7.4	-164.6	-58	-176.1	0	0	0	114.7	L265 V284 S290 E291 F297 L345 K346 V349	L265-L288 HydrophobicContact CD2-CD1 3.5Å; V284-L288 HydrophobicContact CG1-CB 4.38Å; V284-L288 HydrophobicContact CG2-CD1 4.27Å; V284-L288 WeakPolarHBondContact O-CA 3.47Å; V284-L288 WeakPolarHBondContact O-CB 2.92Å; V284-L288 PolarHBondContact O-N 2.85Å; L288-S290 PolarHBondContact O-N 3.01Å; L288-S290 VanDerWaalsContact O-N 3.12Å; L288-E291 HydrophobicContact CD2-CG 4.3Å; L288-E291 WeakPolarHBondContact O-CA 3.25Å; L288-E291 WeakPolarHBondContact O-CB 3.35Å; L288-E291 PolarHBondContact O-N 3.26Å; L288-F297 HydrophobicContact CB-CE1 3.77Å; L288-F297 HydrophobicContact CB-CZ 3.7Å; L288-F297 HydrophobicContact CD1-CD1 4.18Å; L288-F297 HydrophobicContact CD1-CE1 3.64Å; L288-F297 HydrophobicContact CD1-CZ 4.42Å; L288-F297 HydrophobicContact CG-CE1 4.37Å; L288-F297 WeakPolarHBondContact O-CZ 3.15Å; L288-L345 HydrophobicContact CD1-CD2 3.7Å; L288-L345 HydrophobicContact CD1-CG 3.92Å; L288-L345 HydrophobicContact CG-CD2 4.22Å; L288-L345 HydrophobicContact CG-CG 4.48Å; L288-K346 HydrophobicContact CD2-CB 3.94Å; L288-K346 HydrophobicContact CD2-CG 4.18Å; L288-V349 HydrophobicContact CD1-CG2 4.12Å; L288-V349 HydrophobicContact CD2-CG2 4.09Å
289	I	91.4	Very high	95	Very high	112 Å²	112	46.4 Å²	46.4	57%	0.574	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-58	-30.5	179.9	-160.7	164.1	0	0	0	112.9	E291	I289-E291 PolarHBondContact O-N 3.06Å
290	S	92.4	Very high	95.1	Very high	78 Å²	78	42.6 Å²	42.6	55%	0.545	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-68.6	-20.3	174.4	59.9	0	0	0	0	113.7	L288	L288-S290 PolarHBondContact O-N 3.01Å; L288-S290 VanDerWaalsContact O-N 3.12Å
291	E	94.4	Very high	95.1	Very high	33 Å²	33	43.4 Å²	43.4	15%	0.154	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-96.9	5.3	-175.9	-52	-49.7	136	0	0	112.7	L288 I289 G293 S294 I295 F297 V349	L288-E291 HydrophobicContact CD2-CG 4.3Å; L288-E291 WeakPolarHBondContact O-CA 3.25Å; L288-E291 WeakPolarHBondContact O-CB 3.35Å; L288-E291 PolarHBondContact O-N 3.26Å; I289-E291 PolarHBondContact O-N 3.06Å; E291-G293 PolarHBondContact O-N 3.02Å; E291-S294 WeakPolarHBondContact CA-OG 3.44Å; E291-S294 WeakPolarHBondContact CB-OG 3.3Å; E291-S294 PolarHBondContact O-N 3.49Å; E291-S294 PolarHBondContact O-OG 3.45Å; E291-S294 PolarHBondContact OE2-OG 3.1Å; E291-S294 VanDerWaalsContact OE2-OG 3.09Å; E291-I295 HydrophobicContact CB-CG2 4.16Å; E291-I295 PolarHBondContact O-N 3.4Å; E291-F297 HydrophobicContact CB-CZ 4.26Å; E291-V349 HydrophobicContact CG-CG1 4.43Å
292	K	89.5	Confident	95.1	Very high	137 Å²	137	40.6 Å²	40.6	60%	0.596	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-26.1	-178.7	-176.1	178.8	177.6	-179.6	0	113.6	L245 F297	L245-K292 HydrophobicContact CD1-CD 4.01Å; L245-K292 HydrophobicContact CD1-CG 4.21Å; K292-F297 HydrophobicContact CB-CE2 4.3Å
293	G	91	Very high	95.2	Very high	65 Å²	65	40.1 Å²	40.1	67%	0.67	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-9.8	177.7	0	0	0	0	0	115.1	L262 E291	L262-G293 WeakPolarHBondContact CD2-O 3.16Å; E291-G293 PolarHBondContact O-N 3.02Å
294	S	94.1	Very high	95.1	Very high	32 Å²	32	44.2 Å²	44.2	22%	0.224	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-21	-176	57.2	0	0	0	0	113.2	E291	E291-S294 WeakPolarHBondContact CA-OG 3.44Å; E291-S294 WeakPolarHBondContact CB-OG 3.3Å; E291-S294 PolarHBondContact O-N 3.49Å; E291-S294 PolarHBondContact O-OG 3.45Å; E291-S294 PolarHBondContact OE2-OG 3.1Å; E291-S294 VanDerWaalsContact OE2-OG 3.09Å
295	I	96.4	Very high	95.1	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.238	C	C	.	.			trans	-152.1	147.1	-178.1	-167.6	162.5	0	0	0	111.5	P263 L265 E291 F297 I324 V349 L352	P263-I295 HydrophobicContact CB-CD1 4.4Å; P263-I295 HydrophobicContact CB-CG1 4.21Å; P263-I295 VanDerWaalsContact O-CG1 3.29Å; P263-I295 WeakPolarHBondContact O-CG1 3.47Å; L265-I295 HydrophobicContact CB-CD1 3.71Å; L265-I295 HydrophobicContact CB-CG1 4.07Å; E291-I295 HydrophobicContact CB-CG2 4.16Å; E291-I295 PolarHBondContact O-N 3.4Å; I295-F297 HydrophobicContact CG2-CD1 4.21Å; I295-F297 HydrophobicContact CG2-CE1 3.45Å; I295-F297 VanDerWaalsContact CG2-CE1 3.45Å; I295-F297 HydrophobicContact CG2-CZ 3.92Å; I295-I324 HydrophobicContact CD1-CD1 4.35Å; I295-I324 HydrophobicContact CD1-CG1 4.28Å; I295-V349 HydrophobicContact CD1-CG1 4.29Å; I295-V349 HydrophobicContact CD1-CG2 4.33Å; I295-V349 HydrophobicContact CG2-CG1 4.07Å; I295-L352 HydrophobicContact CD1-CD2 4.22Å
296	N	96.9	Very high	95.2	Very high	8 Å²	8	47.9 Å²	47.9	4%	0.043	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	124	175.6	-92.7	-28.5	0	0	0	111.8	R247 E260 L262 P263 F264 L265 L298	R247-N296 VanDerWaalsContact NH2-CG 3.32Å; R247-N296 PolarHBondContact NH2-OD1 3.03Å; E260-N296 PolarHBondContact OE2-ND2 3Å; E260-N296 PolarHBondContact OE2-OD1 3.3Å; L262-N296 HydrophobicContact CB-CB 4.44Å; P263-N296 PolarHBondContact O-N 2.76Å; F264-N296 HydrophobicContact CD1-CB 3.82Å; F264-N296 HydrophobicContact CE1-CB 4.21Å; L265-N296 PolarHBondContact N-O 3.16Å; N296-L298 HydrophobicContact CB-CG 4.47Å
297	F	98	Very high	95.1	Very high	4 Å²	4	46.1 Å²	46.1	2%	0.018	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	119.4	176.1	-43.2	-61.7	0	0	0	110.3	L245 V246 R247 L265 V284 L288 E291 K292 I295	L245-F297 HydrophobicContact CD1-CD2 3.72Å; L245-F297 HydrophobicContact CD1-CE2 3.89Å; L245-F297 HydrophobicContact CG-CD2 3.89Å; L245-F297 HydrophobicContact CG-CE2 4.36Å; V246-F297 WeakPolarHBondContact CA-O 3.37Å; V246-F297 HydrophobicContact CB-CB 4.46Å; V246-F297 HydrophobicContact CG1-CB 4.49Å; V246-F297 HydrophobicContact CG2-CB 4.02Å; R247-F297 PolarHBondContact N-O 3.32Å; L265-F297 HydrophobicContact CB-CD1 4.33Å; L265-F297 HydrophobicContact CD2-CD1 3.97Å; L265-F297 HydrophobicContact CD2-CE1 4.33Å; V284-F297 HydrophobicContact CG1-CB 3.97Å; V284-F297 HydrophobicContact CG1-CD1 3.81Å; V284-F297 HydrophobicContact CG1-CD2 3.59Å; V284-F297 HydrophobicContact CG1-CE1 4.19Å; V284-F297 HydrophobicContact CG1-CE2 3.98Å; V284-F297 HydrophobicContact CG1-CG 3.49Å; V284-F297 VanDerWaalsContact CG1-CG 3.49Å; V284-F297 HydrophobicContact CG1-CZ 4.27Å; V284-F297 HydrophobicContact CG2-CD1 4.47Å; L288-F297 HydrophobicContact CB-CE1 3.77Å; L288-F297 HydrophobicContact CB-CZ 3.7Å; L288-F297 HydrophobicContact CD1-CD1 4.18Å; L288-F297 HydrophobicContact CD1-CE1 3.64Å; L288-F297 HydrophobicContact CD1-CZ 4.42Å; L288-F297 HydrophobicContact CG-CE1 4.37Å; L288-F297 WeakPolarHBondContact O-CZ 3.15Å; E291-F297 HydrophobicContact CB-CZ 4.26Å; K292-F297 HydrophobicContact CB-CE2 4.3Å; I295-F297 HydrophobicContact CG2-CD1 4.21Å; I295-F297 HydrophobicContact CG2-CE1 3.45Å; I295-F297 VanDerWaalsContact CG2-CE1 3.45Å; I295-F297 HydrophobicContact CG2-CZ 3.92Å
298	L	98.1	Very high	95.1	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	160.6	-174.5	-56.4	174.8	0	0	0	111.4	R247 I249 L257 F264 L265 I266 L267 N296	R247-L298 HydrophobicContact CB-CD2 3.88Å; R247-L298 CarbonylContact O-C 3.44Å; R247-L298 WeakPolarHBondContact O-CA 3.35Å; I249-L298 HydrophobicContact CB-CD1 4.21Å; I249-L298 HydrophobicContact CD1-CD1 4.04Å; I249-L298 HydrophobicContact CG2-CB 4.37Å; L257-L298 HydrophobicContact CD1-CD1 4.17Å; L257-L298 HydrophobicContact CD1-CD2 3.86Å; L257-L298 HydrophobicContact CD2-CD2 4.08Å; F264-L298 HydrophobicContact CB-CD1 3.97Å; F264-L298 HydrophobicContact CD1-CD1 3.67Å; F264-L298 HydrophobicContact CD2-CD1 3.59Å; F264-L298 HydrophobicContact CE1-CD1 3.95Å; F264-L298 HydrophobicContact CE2-CD1 3.88Å; F264-L298 HydrophobicContact CG-CD1 3.47Å; F264-L298 VanDerWaalsContact CG-CD1 3.47Å; F264-L298 HydrophobicContact CZ-CD1 4.04Å; L265-L298 PolarHBondContact O-N 3.23Å; I266-L298 WeakPolarHBondContact CA-O 3.47Å; I266-L298 HydrophobicContact CG1-CB 4.26Å; I266-L298 HydrophobicContact CG2-CB 4.41Å; L267-L298 PolarHBondContact N-O 3.33Å; N296-L298 HydrophobicContact CB-CG 4.47Å
299	H	97.9	Very high	95	Very high	20 Å²	20	45.7 Å²	45.7	9%	0.093	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	152.2	163.2	73.1	98.4	0	0	0	110	V246 R247 E248 I249 L267 H269 L277	V246-H299 HydrophobicContact CG1-CB 4.28Å; R247-H299 PolarHBondContact O-CD2 3.39Å; R247-H299 PolarHBondContact O-N 2.92Å; E248-H299 CarbonylContact C-O 3.54Å; E248-H299 WeakPolarHBondContact CA-NE2 3.35Å; E248-H299 WeakPolarHBondContact CA-O 3.43Å; E248-H299 WeakPolarHBondContact CB-NE2 3.35Å; E248-H299 PolarHBondContact N-NE2 2.94Å; I249-H299 PolarHBondContact N-O 3.05Å; L267-H299 HydrophobicContact CB-CB 4.21Å; L267-H299 CarbonylContact O-C 3.46Å; L267-H299 WeakPolarHBondContact O-CA 3.34Å; H269-H299 AromaticContact CD2-ND1 3.88Å; H269-H299 AromaticContact CE1-ND1 3.95Å; H269-H299 AromaticContact NE2-CE1 3.89Å; H269-H299 AromaticContact NE2-CG 3.74Å; H269-H299 AromaticContact NE2-ND1 2.93Å; H269-H299 PolarHBondContact NE2-ND1 2.81Å; L277-H299 HydrophobicContact CD1-CB 3.69Å
300	A	97.7	Very high	95.1	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	142.8	-175.6	0	0	0	0	0	111.5	I249 I266 L267 F268 H269 C302 F305	I249-A300 HydrophobicContact CG2-CB 3.53Å; I266-A300 HydrophobicContact CG2-CB 3.98Å; L267-A300 PolarHBondContact O-N 2.81Å; F268-A300 WeakPolarHBondContact CA-O 3.36Å; F268-A300 HydrophobicContact CD1-CB 3.93Å; F268-A300 HydrophobicContact CE1-CB 4.03Å; H269-A300 PolarHBondContact N-O 3.17Å; H269-A300 VanDerWaalsContact N-O 3.08Å; A300-C302 PolarHBondContact O-N 3.34Å; A300-F305 HydrophobicContact CB-CD2 3.77Å; A300-F305 HydrophobicContact CB-CE2 4.12Å; A300-F305 HydrophobicContact CB-CG 4.28Å
301	D	97.4	Very high	95	Very high	17 Å²	17	44.4 Å²	44.4	9%	0.091	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	116.3	173.2	179	-13.3	0	0	0	110.4	D303 K304 F305	D301-D303 PolarHBondContact O-N 3.38Å; D301-D303 PolarHBondContact OD1-N 2.64Å; D301-K304 HydrophobicContact CB-CB 4.23Å; D301-K304 HydrophobicContact CB-CD 4.09Å; D301-K304 HydrophobicContact CB-CG 4.16Å; D301-K304 PolarHBondContact O-N 2.61Å; D301-K304 WeakPolarHBondContact OD2-CE 3.34Å; D301-F305 WeakPolarHBondContact O-CD2 3.15Å; D301-F305 PolarHBondContact O-N 3.14Å
302	C	95.8	Very high	95	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-34.5	-179.1	-67.2	0	0	0	0	113.3	F268 H269 L270 A300 F305 R306 L309 P316 C319	F268-C302 VanDerWaalsContact CB-SG 3.57Å; H269-C302 WeakPolarHBondContact CA-SG 3.1Å; H269-C302 PolarHBondContact N-SG 2.64Å; H269-C302 PolarHBondContact O-N 2.82Å; H269-C302 PolarHBondContact O-SG 3.3Å; H269-C302 VanDerWaalsContact O-SG 3.4Å; L270-C302 HydrophobicContact CD2-CB 4.23Å; A300-C302 PolarHBondContact O-N 3.34Å; C302-F305 CarbonylContact O-C 3.57Å; C302-F305 PolarHBondContact O-N 2.64Å; C302-R306 VanDerWaalsContact O-CG 3.3Å; C302-R306 WeakPolarHBondContact O-CG 3.04Å; C302-R306 PolarHBondContact O-N 3.05Å; C302-L309 HydrophobicContact CB-CD1 3.8Å; C302-P316 HydrophobicContact CB-CB 4.08Å; C302-P316 HydrophobicContact CB-CG 4.4Å; C302-C319 HydrophobicContact CB-CB 4.22Å; C302-C319 WeakPolarHBondContact CB-SG 3.4Å; C302-C319 WeakPolarHBondContact SG-CB 3.38Å; C302-C319 CovalentContact SG-SG 2.04Å; C302-C319 PolarHBondContact SG-SG 3.18Å
303	D	95.8	Very high	95.2	Very high	80 Å²	80	45 Å²	45	43%	0.428	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-31.6	-177.7	-81.8	-49.1	0	0	0	112.4	D301 R306	D301-D303 PolarHBondContact O-N 3.38Å; D301-D303 PolarHBondContact OD1-N 2.64Å; D303-R306 WeakPolarHBondContact O-CD 3.38Å; D303-R306 WeakPolarHBondContact O-CG 3.37Å; D303-R306 IonicContact OD1-NH1 3.55Å
304	K	95.8	Very high	95.5	Very high	107 Å²	107	45 Å²	45	47%	0.465	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-35.1	173.4	-65.5	-179.4	-169.9	170.4	0	112	F251 D301	F251-K304 HydrophobicContact CE2-CB 4.31Å; F251-K304 WeakPolarHBondContact CZ-O 3.46Å; D301-K304 HydrophobicContact CB-CB 4.23Å; D301-K304 HydrophobicContact CB-CD 4.09Å; D301-K304 HydrophobicContact CB-CG 4.16Å; D301-K304 PolarHBondContact O-N 2.61Å; D301-K304 WeakPolarHBondContact OD2-CE 3.34Å
305	F	96.1	Very high	95.6	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.009	22%	0.221	C	C	.	.			trans	-105.8	36.2	-174.3	-68.2	-87	0	0	0	114	I249 F251 F268 A300 D301 C302 H307 P308 L309 F389 L392	I249-F305 HydrophobicContact CG1-CZ 4.33Å; I249-F305 HydrophobicContact CG2-CZ 4.47Å; I249-F305 WeakPolarHBondContact O-CE2 3.47Å; I249-F305 WeakPolarHBondContact O-CZ 3.15Å; F251-F305 HydrophobicContact CD1-CE1 4.34Å; F251-F305 HydrophobicContact CE1-CD1 4.36Å; F251-F305 AromaticContact CE1-CE1 3.95Å; F251-F305 HydrophobicContact CE1-CE1 3.95Å; F251-F305 HydrophobicContact CE1-CZ 4.49Å; F251-F305 HydrophobicContact CZ-CD1 4.33Å; F251-F305 HydrophobicContact CZ-CE1 4.18Å; F268-F305 HydrophobicContact CD1-CB 4.35Å; F268-F305 HydrophobicContact CE1-CB 3.94Å; A300-F305 HydrophobicContact CB-CD2 3.77Å; A300-F305 HydrophobicContact CB-CE2 4.12Å; A300-F305 HydrophobicContact CB-CG 4.28Å; D301-F305 WeakPolarHBondContact O-CD2 3.15Å; D301-F305 PolarHBondContact O-N 3.14Å; C302-F305 CarbonylContact O-C 3.57Å; C302-F305 PolarHBondContact O-N 2.64Å; F305-H307 VanDerWaalsContact C-N 3.27Å; F305-H307 PolarHBondContact O-N 3.29Å; F305-P308 HydrophobicContact CB-CG 4.34Å; F305-P308 HydrophobicContact CD1-CG 4.07Å; F305-P308 VanDerWaalsContact O-CD 3.28Å; F305-P308 WeakPolarHBondContact O-CD 3.39Å; F305-L309 PolarHBondContact O-N 2.95Å; F305-L309 VanDerWaalsContact O-N 3.11Å; F305-F389 HydrophobicContact CD1-CE1 4.05Å; F305-F389 HydrophobicContact CD1-CZ 4.24Å; F305-F389 AromaticContact CE1-CE1 3.95Å; F305-F389 HydrophobicContact CE1-CE1 3.95Å; F305-L392 HydrophobicContact CE1-CD1 4.27Å
306	R	95.4	Very high	95.7	Very high	147 Å²	147	47.5 Å²	47.5	56%	0.555	23%	0.226	S	C	*	.	H	α-helix	trans	-57.4	-36.9	176.8	-64.9	174.4	76	124.4	-0.5	113.5	C302 D303 L309 L310 P316	C302-R306 VanDerWaalsContact O-CG 3.3Å; C302-R306 WeakPolarHBondContact O-CG 3.04Å; C302-R306 PolarHBondContact O-N 3.05Å; D303-R306 WeakPolarHBondContact O-CD 3.38Å; D303-R306 WeakPolarHBondContact O-CG 3.37Å; D303-R306 IonicContact OD1-NH1 3.55Å; R306-L309 PolarHBondContact O-N 2.82Å; R306-L310 PolarHBondContact O-N 3.28Å; R306-P316 HydrophobicContact CG-CG 3.76Å
307	H	93.3	Very high	95.6	Very high	104 Å²	104	51.6 Å²	51.6	48%	0.481	26%	0.262	S	S	.	.	H	α-helix	trans	-68.7	-47.3	-179	176.6	-74.5	0	0	0	112.1	F305 L309 L310 H311	F305-H307 VanDerWaalsContact C-N 3.27Å; F305-H307 PolarHBondContact O-N 3.29Å; H307-L309 VanDerWaalsContact C-N 3.33Å; H307-L309 PolarHBondContact O-N 2.93Å; H307-L310 WeakPolarHBondContact O-CB 3.09Å; H307-L310 PolarHBondContact O-N 2.65Å; H307-H311 AromaticContact CE1-CD2 3.76Å; H307-H311 AromaticContact CE1-NE2 3.23Å; H307-H311 PolarHBondContact CE1-NE2 3.15Å; H307-H311 AromaticContact ND1-NE2 3.9Å; H307-H311 PolarHBondContact O-N 3.05Å
308	P	93.4	Very high	95.6	Very high	14 Å²	14	54.8 Å²	54.8	9%	0.091	28%	0.279	C	S	.	.	H	α-helix	trans	-56.8	-39.5	167.3	-32.6	39.1	0	0	0	115.3	F268 F305 L310 H311 S388 F389	F268-P308 HydrophobicContact CE1-CB 4.48Å; F268-P308 HydrophobicContact CZ-CB 4.42Å; F305-P308 HydrophobicContact CB-CG 4.34Å; F305-P308 HydrophobicContact CD1-CG 4.07Å; F305-P308 VanDerWaalsContact O-CD 3.28Å; F305-P308 WeakPolarHBondContact O-CD 3.39Å; P308-L310 VanDerWaalsContact C-N 3.3Å; P308-L310 PolarHBondContact O-N 3.18Å; P308-H311 WeakPolarHBondContact O-CB 3.39Å; P308-H311 PolarHBondContact O-N 2.77Å; P308-S388 VanDerWaalsContact CA-OG 3.32Å; P308-S388 WeakPolarHBondContact CA-OG 3.15Å; P308-S388 WeakPolarHBondContact CG-OG 3.19Å; P308-F389 HydrophobicContact CB-CE2 3.91Å; P308-F389 HydrophobicContact CB-CZ 4.1Å; P308-F389 HydrophobicContact CG-CE2 4.43Å; P308-F389 HydrophobicContact CG-CZ 4.33Å
309	L	93.8	Very high	95.6	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-61.3	-38.9	174.5	-75.9	170.5	0	0	0	112.2	F268 C302 F305 R306 H307 H311 I312 Q313 K314	F268-L309 HydrophobicContact CB-CD2 3.87Å; F268-L309 HydrophobicContact CD1-CD1 4.43Å; F268-L309 HydrophobicContact CD1-CD2 3.91Å; F268-L309 HydrophobicContact CD1-CG 4.01Å; F268-L309 HydrophobicContact CD2-CD2 3.93Å; F268-L309 HydrophobicContact CE1-CD2 4.4Å; F268-L309 HydrophobicContact CE1-CG 4.33Å; F268-L309 HydrophobicContact CE2-CD2 4.42Å; F268-L309 HydrophobicContact CG-CD2 3.63Å; F268-L309 HydrophobicContact CG-CG 4.25Å; C302-L309 HydrophobicContact CB-CD1 3.8Å; F305-L309 PolarHBondContact O-N 2.95Å; F305-L309 VanDerWaalsContact O-N 3.11Å; R306-L309 PolarHBondContact O-N 2.82Å; H307-L309 VanDerWaalsContact C-N 3.33Å; H307-L309 PolarHBondContact O-N 2.93Å; L309-H311 VanDerWaalsContact C-N 3.28Å; L309-H311 PolarHBondContact O-N 2.9Å; L309-I312 HydrophobicContact CD2-CD1 4.32Å; L309-I312 CarbonylContact O-C 3.53Å; L309-I312 WeakPolarHBondContact O-CG1 3.35Å; L309-I312 PolarHBondContact O-N 3.3Å; L309-I312 VanDerWaalsContact O-N 3.13Å; L309-Q313 PolarHBondContact O-N 3.18Å; L309-K314 CarbonylContact C-O 3.21Å; L309-K314 HydrophobicContact CB-CB 4.34Å; L309-K314 HydrophobicContact CD2-CB 4.04Å; L309-K314 PolarHBondContact O-N 2.87Å
310	L	93.6	Very high	95.6	Very high	117 Å²	117	56.5 Å²	56.5	61%	0.613	29%	0.292	S	S	*	.	H	α-helix	trans	-62.7	-33.5	178.5	-175.3	63.8	0	0	0	112.7	R306 H307 P308 I312 Q313 K314	R306-L310 PolarHBondContact O-N 3.28Å; H307-L310 WeakPolarHBondContact O-CB 3.09Å; H307-L310 PolarHBondContact O-N 2.65Å; P308-L310 VanDerWaalsContact C-N 3.3Å; P308-L310 PolarHBondContact O-N 3.18Å; L310-I312 PolarHBondContact O-N 3.34Å; L310-Q313 PolarHBondContact O-N 3.44Å; L310-K314 PolarHBondContact N-O 3.05Å
311	H	90.7	Very high	95.6	Very high	45 Å²	45	56.9 Å²	56.9	21%	0.208	30%	0.295	C	S	.	.	H	α-helix	trans	-58	-37.5	175.9	-84.5	-140.8	0	0	0	111.7	H307 P308 L309 Q313 M330 P385 E386 K391	H307-H311 AromaticContact CE1-CD2 3.76Å; H307-H311 AromaticContact CE1-NE2 3.23Å; H307-H311 PolarHBondContact CE1-NE2 3.15Å; H307-H311 AromaticContact ND1-NE2 3.9Å; H307-H311 PolarHBondContact O-N 3.05Å; P308-H311 WeakPolarHBondContact O-CB 3.39Å; P308-H311 PolarHBondContact O-N 2.77Å; L309-H311 VanDerWaalsContact C-N 3.28Å; L309-H311 PolarHBondContact O-N 2.9Å; H311-Q313 VanDerWaalsContact C-N 3.3Å; H311-M330 HydrophobicContact CB-SD 4.22Å; H311-P385 WeakPolarHBondContact O-CB 3.38Å; H311-E386 PolarHBondContact ND1-O 3.3Å; H311-K391 PolarHBondContact CE1-NZ 2.97Å; H311-K391 PolarHBondContact NE2-NZ 3.13Å
312	I	93.4	Very high	95.6	Very high	12 Å²	12	56.2 Å²	56.2	6%	0.062	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94	17.7	176.4	58.7	170.2	0	0	0	112.9	L309 L310 K314 V321 A323 M330 V332 P385	L309-I312 HydrophobicContact CD2-CD1 4.32Å; L309-I312 CarbonylContact O-C 3.53Å; L309-I312 WeakPolarHBondContact O-CG1 3.35Å; L309-I312 PolarHBondContact O-N 3.3Å; L309-I312 VanDerWaalsContact O-N 3.13Å; L310-I312 PolarHBondContact O-N 3.34Å; I312-K314 HydrophobicContact CD1-CB 4.43Å; I312-K314 HydrophobicContact CD1-CG 4.06Å; I312-K314 HydrophobicContact CG1-CB 4.16Å; I312-K314 HydrophobicContact CG1-CG 3.95Å; I312-K314 PolarHBondContact O-N 2.73Å; I312-V321 HydrophobicContact CD1-CG1 4.1Å; I312-A323 HydrophobicContact CD1-CB 4.07Å; I312-M330 HydrophobicContact CG2-CB 3.48Å; I312-M330 VanDerWaalsContact CG2-CB 3.48Å; I312-M330 HydrophobicContact CG2-CE 3.92Å; I312-M330 HydrophobicContact CG2-CG 4.33Å; I312-M330 HydrophobicContact CG2-SD 4Å; I312-V332 HydrophobicContact CB-CG2 3.68Å; I312-V332 HydrophobicContact CD1-CG2 3.92Å; I312-V332 HydrophobicContact CG1-CG2 4.33Å; I312-V332 HydrophobicContact CG2-CG2 3.93Å; I312-P385 HydrophobicContact CG2-CB 4.44Å
313	Q	94.7	Very high	95.8	Very high	170 Å²	170	56.2 Å²	56.2	79%	0.794	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.5	35.3	178.9	-54.8	173.2	17.8	0	0	113.2	L309 L310 H311	L309-Q313 PolarHBondContact O-N 3.18Å; L310-Q313 PolarHBondContact O-N 3.44Å; H311-Q313 VanDerWaalsContact C-N 3.3Å
314	K	96.9	Very high	95.9	Very high	67 Å²	67	52.4 Å²	52.4	29%	0.291	27%	0.271	S	S	.	.			trans	-115.4	160.4	176.2	-61.7	-60.3	-178.1	178.1	0	111.2	L309 L310 I312 D318 V321	L309-K314 CarbonylContact C-O 3.21Å; L309-K314 HydrophobicContact CB-CB 4.34Å; L309-K314 HydrophobicContact CD2-CB 4.04Å; L309-K314 PolarHBondContact O-N 2.87Å; L310-K314 PolarHBondContact N-O 3.05Å; I312-K314 HydrophobicContact CD1-CB 4.43Å; I312-K314 HydrophobicContact CD1-CG 4.06Å; I312-K314 HydrophobicContact CG1-CB 4.16Å; I312-K314 HydrophobicContact CG1-CG 3.95Å; I312-K314 PolarHBondContact O-N 2.73Å; K314-D318 HydrophobicContact CB-CB 4.3Å; K314-D318 HydrophobicContact CD-CB 3.83Å; K314-V321 HydrophobicContact CD-CG2 4.42Å; K314-V321 HydrophobicContact CG-CG1 4.37Å; K314-V321 HydrophobicContact CG-CG2 4.26Å
315	T	97.1	Very high	95.9	Very high	66 Å²	66	47.3 Å²	47.3	41%	0.405	25%	0.249	S	C	.	.			trans	-129.8	168.1	175.7	68.6	0	0	0	0	109.6	A317 D318	T315-A317 PolarHBondContact O-N 2.89Å; T315-A317 VanDerWaalsContact O-N 3.08Å; T315-A317 PolarHBondContact OG1-N 3.39Å; T315-D318 PolarHBondContact N-OD2 3.29Å; T315-D318 WeakPolarHBondContact O-CB 3.44Å; T315-D318 PolarHBondContact O-N 3.37Å; T315-D318 PolarHBondContact OG1-OD2 3.44Å
316	P	97.1	Very high	95.8	Very high	17 Å²	17	48.4 Å²	48.4	11%	0.11	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-55.6	-24.8	172.6	-28.2	36.8	0	0	0	114.1	L270 C302 R306 D318 C319	L270-P316 HydrophobicContact CD2-CB 4.25Å; C302-P316 HydrophobicContact CB-CB 4.08Å; C302-P316 HydrophobicContact CB-CG 4.4Å; R306-P316 HydrophobicContact CG-CG 3.76Å; P316-D318 PolarHBondContact O-N 3.02Å; P316-C319 WeakPolarHBondContact O-CB 3.37Å; P316-C319 PolarHBondContact O-N 3.04Å
317	A	96.8	Very high	95.6	Very high	95 Å²	95	42.4 Å²	42.4	79%	0.785	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-71.7	-18.7	176.2	0	0	0	0	0	113.4	T315	T315-A317 PolarHBondContact O-N 2.89Å; T315-A317 VanDerWaalsContact O-N 3.08Å; T315-A317 PolarHBondContact OG1-N 3.39Å
318	D	97.1	Very high	95.3	Very high	71 Å²	71	46.4 Å²	46.4	38%	0.38	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-87.8	-8.6	175.4	-57.9	-79.8	0	0	0	112.5	K314 T315 P316 V321	K314-D318 HydrophobicContact CB-CB 4.3Å; K314-D318 HydrophobicContact CD-CB 3.83Å; T315-D318 PolarHBondContact N-OD2 3.29Å; T315-D318 WeakPolarHBondContact O-CB 3.44Å; T315-D318 PolarHBondContact O-N 3.37Å; T315-D318 PolarHBondContact OG1-OD2 3.44Å; P316-D318 PolarHBondContact O-N 3.02Å; D318-V321 HydrophobicContact CB-CG2 4.19Å; D318-V321 VanDerWaalsContact O-CG2 3.25Å; D318-V321 WeakPolarHBondContact O-CG2 3.28Å
319	C	97.2	Very high	95.3	Very high	21 Å²	21	47.2 Å²	47.2	14%	0.142	25%	0.248	C	C	.	.			trans	-67.1	143.7	178.9	-65.6	0	0	0	0	111.2	C302 P316	C302-C319 HydrophobicContact CB-CB 4.22Å; C302-C319 WeakPolarHBondContact CB-SG 3.4Å; C302-C319 WeakPolarHBondContact SG-CB 3.38Å; C302-C319 CovalentContact SG-SG 2.04Å; C302-C319 PolarHBondContact SG-SG 3.18Å; P316-C319 WeakPolarHBondContact O-CB 3.37Å; P316-C319 PolarHBondContact O-N 3.04Å
320	P	98.1	Very high	95.3	Very high	34 Å²	34	47.3 Å²	47.3	22%	0.221	25%	0.248	C	C	.	.	S	Bend	cis	-78.2	136.7	7.4	31.8	-37.9	0	0	0	114.6	L267 F268 F336	L267-P320 HydrophobicContact CD1-CB 4.02Å; F268-P320 VanDerWaalsContact O-CA 3.31Å; F268-P320 WeakPolarHBondContact O-CA 3.38Å; P320-F336 HydrophobicContact CB-CD1 4.27Å; P320-F336 HydrophobicContact CB-CD2 3.94Å; P320-F336 HydrophobicContact CB-CE1 4.35Å; P320-F336 HydrophobicContact CB-CE2 4.02Å; P320-F336 HydrophobicContact CB-CG 4.07Å; P320-F336 HydrophobicContact CB-CZ 4.23Å; P320-F336 HydrophobicContact CG-CB 4.23Å; P320-F336 HydrophobicContact CG-CD1 3.48Å; P320-F336 VanDerWaalsContact CG-CD1 3.48Å; P320-F336 HydrophobicContact CG-CD2 4.02Å; P320-F336 HydrophobicContact CG-CE1 3.74Å; P320-F336 HydrophobicContact CG-CE2 4.26Å; P320-F336 HydrophobicContact CG-CG 3.63Å; P320-F336 HydrophobicContact CG-CZ 4.14Å
321	V	98.2	Very high	95.4	Very high	9 Å²	9	42.8 Å²	42.8	6%	0.055	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	131.3	177.4	178.5	0	0	0	0	109.8	F268 I312 K314 D318 V332	F268-V321 HydrophobicContact CB-CB 4.39Å; F268-V321 PolarHBondContact N-O 3.44Å; F268-V321 PolarHBondContact O-N 3.49Å; I312-V321 HydrophobicContact CD1-CG1 4.1Å; K314-V321 HydrophobicContact CD-CG2 4.42Å; K314-V321 HydrophobicContact CG-CG1 4.37Å; K314-V321 HydrophobicContact CG-CG2 4.26Å; D318-V321 HydrophobicContact CB-CG2 4.19Å; D318-V321 VanDerWaalsContact O-CG2 3.25Å; D318-V321 WeakPolarHBondContact O-CG2 3.28Å; V321-V332 HydrophobicContact CG1-CG1 4.08Å
322	I	98.5	Very high	95.7	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.01	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	134.6	169.7	-63.4	165.3	0	0	0	108.7	L265 I266 L267 F280 F333 F336 L339	L265-I322 HydrophobicContact CD1-CG2 3.72Å; I266-I322 WeakPolarHBondContact O-CA 3.45Å; L267-I322 HydrophobicContact CD1-CG1 3.79Å; F280-I322 HydrophobicContact CD2-CD1 3.73Å; F280-I322 HydrophobicContact CD2-CG1 4.17Å; F280-I322 HydrophobicContact CE2-CD1 4Å; F280-I322 HydrophobicContact CE2-CG1 4.18Å; F280-I322 HydrophobicContact CE2-CG2 4.3Å; I322-F333 HydrophobicContact CB-CB 3.7Å; I322-F333 HydrophobicContact CB-CD1 4.46Å; I322-F333 HydrophobicContact CB-CG 4.3Å; I322-F333 HydrophobicContact CD1-CD1 4.34Å; I322-F333 HydrophobicContact CG2-CB 3.86Å; I322-F333 HydrophobicContact CG2-CG 4.4Å; I322-F333 WeakPolarHBondContact O-CB 3.22Å; I322-F333 PolarHBondContact O-N 3.33Å; I322-F336 HydrophobicContact CD1-CD2 3.72Å; I322-F336 HydrophobicContact CD1-CE2 3.96Å; I322-F336 HydrophobicContact CG1-CD2 4.02Å; I322-F336 HydrophobicContact CG1-CE2 4.34Å; I322-L339 HydrophobicContact CD1-CD1 3.79Å; I322-L339 HydrophobicContact CD1-CD2 4.21Å; I322-L339 HydrophobicContact CD1-CG 4.39Å
323	A	98.2	Very high	95.9	Very high	1 Å²	1	43 Å²	43	1%	0.008	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	154.7	175.3	0	0	0	0	0	111.7	I266 F268 I312 Y331	I266-A323 PolarHBondContact N-O 3.39Å; I266-A323 PolarHBondContact O-N 3.38Å; F268-A323 HydrophobicContact CE2-CB 4.21Å; I312-A323 HydrophobicContact CD1-CB 4.07Å; A323-Y331 CarbonylContact C-O 3.57Å; A323-Y331 WeakPolarHBondContact CA-O 3.4Å; A323-Y331 WeakPolarHBondContact CB-O 3.22Å
324	I	98.1	Very high	95.7	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	131.4	166.8	-74.5	170.6	0	0	0	108.7	F264 L265 I295 M330 Y331 F348 L352 L357	F264-I324 CarbonylContact O-C 3.57Å; F264-I324 WeakPolarHBondContact O-CA 3.31Å; L265-I324 HydrophobicContact CB-CG1 4.47Å; L265-I324 HydrophobicContact CD1-CD1 4.24Å; L265-I324 HydrophobicContact CD1-CG1 3.61Å; I295-I324 HydrophobicContact CD1-CD1 4.35Å; I295-I324 HydrophobicContact CD1-CG1 4.28Å; I324-M330 CarbonylContact O-C 3.52Å; I324-M330 WeakPolarHBondContact O-CA 3.43Å; I324-Y331 HydrophobicContact CG2-CD2 4.24Å; I324-Y331 PolarHBondContact N-O 3.27Å; I324-Y331 PolarHBondContact O-N 3Å; I324-F348 HydrophobicContact CB-CE1 4.24Å; I324-F348 HydrophobicContact CB-CZ 4.39Å; I324-F348 HydrophobicContact CD1-CD1 3.55Å; I324-F348 HydrophobicContact CD1-CE1 3.5Å; I324-F348 VanDerWaalsContact CD1-CE1 3.5Å; I324-F348 HydrophobicContact CD1-CG 4.11Å; I324-F348 HydrophobicContact CD1-CZ 3.99Å; I324-F348 HydrophobicContact CG1-CD1 4.02Å; I324-F348 HydrophobicContact CG1-CE1 3.54Å; I324-F348 HydrophobicContact CG1-CZ 4.12Å; I324-L352 HydrophobicContact CD1-CB 4.14Å; I324-L352 HydrophobicContact CD1-CD2 4.34Å; I324-L352 HydrophobicContact CG2-CD1 3.88Å; I324-L352 HydrophobicContact CG2-CD2 3.62Å; I324-L352 HydrophobicContact CG2-CG 4.21Å; I324-L357 HydrophobicContact CD1-CD1 4.25Å
325	D	97.3	Very high	95.6	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	114.8	163.6	-167.3	-38.8	0	0	0	109	P263 F264 F327 M330 S387 S388 F389	P263-D325 WeakPolarHBondContact CA-O 2.99Å; F264-D325 HydrophobicContact CB-CB 4.39Å; F264-D325 PolarHBondContact N-O 2.86Å; F264-D325 PolarHBondContact O-N 3.04Å; D325-F327 VanDerWaalsContact C-N 3.32Å; D325-F327 WeakPolarHBondContact OD1-CA 3.5Å; D325-F327 PolarHBondContact OD1-N 3.3Å; D325-M330 HydrophobicContact CB-CG 4.14Å; D325-M330 WeakPolarHBondContact OD2-CG 3.49Å; D325-S387 WeakPolarHBondContact OD1-CB 3.46Å; D325-S387 PolarHBondContact OD1-OG 2.91Å; D325-S387 WeakPolarHBondContact OD2-CA 3.29Å; D325-S387 PolarHBondContact OD2-OG 3.45Å; D325-S388 PolarHBondContact OD2-N 3.1Å; D325-F389 HydrophobicContact CB-CD2 4Å; D325-F389 WeakPolarHBondContact OD2-CD2 3.47Å; D325-F389 PolarHBondContact OD2-N 3.11Å
326	S	93.2	Very high	95.5	Very high	25 Å²	25	38.8 Å²	38.8	18%	0.175	22%	0.215	C	C	.	.			trans	-89.3	5.8	-178.2	62.2	0	0	0	0	114	R328 H329	S326-R328 PolarHBondContact O-N 2.94Å; S326-R328 VanDerWaalsContact O-N 3.09Å; S326-R328 PolarHBondContact OG-N 2.73Å; S326-H329 PolarHBondContact N-O 2.95Å; S326-H329 PolarHBondContact OG-N 3.12Å; S326-H329 PolarHBondContact OG-O 3.15Å
327	F	90.2	Very high	95.4	Very high	21 Å²	21	45.8 Å²	45.8	9%	0.092	24%	0.244	C	C	.	.	S	Bend	trans	63.3	1.8	-166.7	-58.4	-38.6	0	0	0	115.7	T258 L262 F264 D325 S387 F389 Q390	T258-F327 HydrophobicContact CG2-CE1 3.76Å; T258-F327 HydrophobicContact CG2-CZ 3.92Å; L262-F327 WeakPolarHBondContact O-CE2 3.46Å; L262-F327 WeakPolarHBondContact O-CZ 3.48Å; F264-F327 HydrophobicContact CD1-CE1 4.42Å; F264-F327 AromaticContact CD1-CZ 3.92Å; F264-F327 HydrophobicContact CD1-CZ 3.92Å; F264-F327 HydrophobicContact CD2-CE1 4.12Å; F264-F327 HydrophobicContact CD2-CZ 4.39Å; F264-F327 HydrophobicContact CE1-CE1 4.23Å; F264-F327 AromaticContact CE1-CZ 3.57Å; F264-F327 HydrophobicContact CE1-CZ 3.57Å; F264-F327 AromaticContact CE2-CE1 3.91Å; F264-F327 HydrophobicContact CE2-CE1 3.91Å; F264-F327 HydrophobicContact CE2-CZ 4.07Å; F264-F327 HydrophobicContact CG-CE1 4.38Å; F264-F327 HydrophobicContact CG-CZ 4.33Å; F264-F327 AromaticContact CZ-CE1 3.97Å; F264-F327 HydrophobicContact CZ-CE1 3.97Å; F264-F327 AromaticContact CZ-CZ 3.65Å; F264-F327 HydrophobicContact CZ-CZ 3.65Å; D325-F327 VanDerWaalsContact C-N 3.32Å; D325-F327 WeakPolarHBondContact OD1-CA 3.5Å; D325-F327 PolarHBondContact OD1-N 3.3Å; F327-S387 VanDerWaalsContact C-CB 3.46Å; F327-S387 WeakPolarHBondContact CA-OG 3.21Å; F327-F389 HydrophobicContact CE1-CB 4.32Å; F327-Q390 VanDerWaalsContact CB-OE1 3.31Å; F327-Q390 HydrophobicContact CD1-CB 4.48Å
328	R	88.3	Confident	95.3	Very high	188 Å²	188	43.2 Å²	43.2	71%	0.709	22%	0.217	S	C	*	.	S	Bend	trans	-115.6	-54	167.5	-60.9	-174.3	-177.3	-145.9	2.5	110	S326 S387	S326-R328 PolarHBondContact O-N 2.94Å; S326-R328 VanDerWaalsContact O-N 3.09Å; S326-R328 PolarHBondContact OG-N 2.73Å; R328-S387 PolarHBondContact O-N 3.33Å
329	H	92.3	Very high	95.3	Very high	30 Å²	30	40 Å²	40	14%	0.139	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-133.6	157.3	-178	-62	-62.7	0	0	0	112.5	S326 Y331 H358 P384 P385	S326-H329 PolarHBondContact N-O 2.95Å; S326-H329 PolarHBondContact OG-N 3.12Å; S326-H329 PolarHBondContact OG-O 3.15Å; H329-Y331 HydrophobicContact CB-CE1 4.29Å; H329-Y331 HydrophobicContact CB-CE2 3.99Å; H329-H358 AromaticContact CD2-CE1 3.89Å; H329-H358 AromaticContact CD2-ND1 3.74Å; H329-H358 AromaticContact NE2-CE1 3.76Å; H329-P384 HydrophobicContact CB-CB 3.88Å; H329-P384 HydrophobicContact CB-CG 4.39Å; H329-P384 PolarHBondContact ND1-O 3.27Å; H329-P385 CarbonylContact C-O 3.53Å; H329-P385 WeakPolarHBondContact CA-O 3.2Å
330	M	94.4	Very high	95.1	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.01	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	137.3	170	-62.1	-173.8	70.2	0	0	111.5	H311 I312 I324 D325 P385 F389	H311-M330 HydrophobicContact CB-SD 4.22Å; I312-M330 HydrophobicContact CG2-CB 3.48Å; I312-M330 VanDerWaalsContact CG2-CB 3.48Å; I312-M330 HydrophobicContact CG2-CE 3.92Å; I312-M330 HydrophobicContact CG2-CG 4.33Å; I312-M330 HydrophobicContact CG2-SD 4Å; I324-M330 CarbonylContact O-C 3.52Å; I324-M330 WeakPolarHBondContact O-CA 3.43Å; D325-M330 HydrophobicContact CB-CG 4.14Å; D325-M330 WeakPolarHBondContact OD2-CG 3.49Å; M330-P385 HydrophobicContact CB-CB 4.5Å; M330-P385 PolarHBondContact N-O 3.3Å; M330-F389 HydrophobicContact CE-CD2 4.49Å; M330-F389 HydrophobicContact CE-CE2 4.21Å
331	Y	95.8	Very high	95	Very high	22 Å²	22	44.2 Å²	44.2	9%	0.086	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	135.2	178.6	-53.4	-77.7	0	0	0	109.7	A323 I324 H329 L352 L357 H358 P384	A323-Y331 CarbonylContact C-O 3.57Å; A323-Y331 WeakPolarHBondContact CA-O 3.4Å; A323-Y331 WeakPolarHBondContact CB-O 3.22Å; I324-Y331 HydrophobicContact CG2-CD2 4.24Å; I324-Y331 PolarHBondContact N-O 3.27Å; I324-Y331 PolarHBondContact O-N 3Å; H329-Y331 HydrophobicContact CB-CE1 4.29Å; H329-Y331 HydrophobicContact CB-CE2 3.99Å; Y331-L352 HydrophobicContact CD2-CD1 4.08Å; Y331-L352 HydrophobicContact CE2-CD1 3.84Å; Y331-L357 HydrophobicContact CD1-CB 3.67Å; Y331-L357 HydrophobicContact CD1-CD1 4.46Å; Y331-L357 HydrophobicContact CD2-CB 4.27Å; Y331-L357 HydrophobicContact CD2-CD1 3.97Å; Y331-L357 HydrophobicContact CE1-CB 3.86Å; Y331-L357 HydrophobicContact CE2-CB 4.44Å; Y331-L357 HydrophobicContact CG-CB 3.88Å; Y331-L357 HydrophobicContact CG-CD1 3.83Å; Y331-L357 HydrophobicContact CG-CG 4.44Å; Y331-H358 PolarHBondContact OH-ND1 3.28Å; Y331-P384 HydrophobicContact CE1-CB 4.16Å; Y331-P384 HydrophobicContact CE1-CG 4.25Å
332	V	96.8	Very high	94.7	Very high	52 Å²	52	48.6 Å²	48.6	32%	0.315	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	134.1	-176.1	-175.5	0	0	0	0	109.8	I312 V321	I312-V332 HydrophobicContact CB-CG2 3.68Å; I312-V332 HydrophobicContact CD1-CG2 3.92Å; I312-V332 HydrophobicContact CG1-CG2 4.33Å; I312-V332 HydrophobicContact CG2-CG2 3.93Å; V321-V332 HydrophobicContact CG1-CG1 4.08Å
333	F	96.9	Very high	94.5	Very high	11 Å²	11	50.2 Å²	50.2	5%	0.048	27%	0.267	C	S	.	.			trans	-69.2	129.9	170.4	-172.2	-108.6	0	0	0	109.2	I322 D335 D338 K344 L345 F348	I322-F333 HydrophobicContact CB-CB 3.7Å; I322-F333 HydrophobicContact CB-CD1 4.46Å; I322-F333 HydrophobicContact CB-CG 4.3Å; I322-F333 HydrophobicContact CD1-CD1 4.34Å; I322-F333 HydrophobicContact CG2-CB 3.86Å; I322-F333 HydrophobicContact CG2-CG 4.4Å; I322-F333 WeakPolarHBondContact O-CB 3.22Å; I322-F333 PolarHBondContact O-N 3.33Å; F333-D335 WeakPolarHBondContact CD1-O 3.29Å; F333-D335 WeakPolarHBondContact CE1-O 3.4Å; F333-D335 PolarHBondContact O-N 3.04Å; F333-D338 HydrophobicContact CE1-CB 4.08Å; F333-D338 HydrophobicContact CZ-CB 4.23Å; F333-K344 HydrophobicContact CZ-CB 4.27Å; F333-L345 HydrophobicContact CE2-CD1 4.48Å; F333-F348 HydrophobicContact CB-CD1 4.24Å; F333-F348 HydrophobicContact CB-CE1 3.89Å; F333-F348 HydrophobicContact CB-CZ 4.17Å; F333-F348 HydrophobicContact CD2-CB 3.92Å; F333-F348 AromaticContact CD2-CD1 3.69Å; F333-F348 HydrophobicContact CD2-CD1 3.69Å; F333-F348 HydrophobicContact CD2-CD2 4.19Å; F333-F348 HydrophobicContact CD2-CE1 4.19Å; F333-F348 AromaticContact CD2-CG 3.69Å; F333-F348 HydrophobicContact CD2-CG 3.69Å; F333-F348 HydrophobicContact CE2-CB 4.07Å; F333-F348 HydrophobicContact CE2-CG 4.35Å; F333-F348 HydrophobicContact CG-CD1 4.42Å
334	P	91.7	Very high	94.3	Very high	112 Å²	112	54.1 Å²	54.1	73%	0.727	28%	0.284	S	S	*	.	S	Bend	trans	-55.8	-47.8	-164.7	-30.4	35.8	0	0	0	116.3
335	D	93.5	Very high	94.3	Very high	67 Å²	67	54.1 Å²	54.1	36%	0.358	28%	0.284	S	S	.	.			trans	-147.5	127.6	178.1	-172.2	-20.9	0	0	0	109.4	F333 K337 D338	F333-D335 WeakPolarHBondContact CD1-O 3.29Å; F333-D335 WeakPolarHBondContact CE1-O 3.4Å; F333-D335 PolarHBondContact O-N 3.04Å; D335-K337 PolarHBondContact O-N 2.83Å; D335-K337 WeakPolarHBondContact OD1-CB 3.21Å; D335-K337 WeakPolarHBondContact OD1-CG 3.32Å; D335-K337 PolarHBondContact OD1-N 3.31Å; D335-D338 WeakPolarHBondContact O-CB 3.46Å; D335-D338 PolarHBondContact O-N 3.09Å
336	F	95.8	Very high	94.2	Very high	35 Å²	35	57.6 Å²	57.6	15%	0.154	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-57.6	-29.8	176.5	-177.3	-99.1	0	0	0	112.9	L267 P320 I322 D338 L339	L267-F336 HydrophobicContact CD1-CD2 4.2Å; L267-F336 HydrophobicContact CD1-CE2 3.74Å; P320-F336 HydrophobicContact CB-CD1 4.27Å; P320-F336 HydrophobicContact CB-CD2 3.94Å; P320-F336 HydrophobicContact CB-CE1 4.35Å; P320-F336 HydrophobicContact CB-CE2 4.02Å; P320-F336 HydrophobicContact CB-CG 4.07Å; P320-F336 HydrophobicContact CB-CZ 4.23Å; P320-F336 HydrophobicContact CG-CB 4.23Å; P320-F336 HydrophobicContact CG-CD1 3.48Å; P320-F336 VanDerWaalsContact CG-CD1 3.48Å; P320-F336 HydrophobicContact CG-CD2 4.02Å; P320-F336 HydrophobicContact CG-CE1 3.74Å; P320-F336 HydrophobicContact CG-CE2 4.26Å; P320-F336 HydrophobicContact CG-CG 3.63Å; P320-F336 HydrophobicContact CG-CZ 4.14Å; I322-F336 HydrophobicContact CD1-CD2 3.72Å; I322-F336 HydrophobicContact CD1-CE2 3.96Å; I322-F336 HydrophobicContact CG1-CD2 4.02Å; I322-F336 HydrophobicContact CG1-CE2 4.34Å; F336-D338 PolarHBondContact O-N 2.83Å; F336-L339 HydrophobicContact CD2-CD2 4.26Å; F336-L339 HydrophobicContact CE2-CD2 3.55Å; F336-L339 HydrophobicContact CZ-CD2 3.71Å; F336-L339 WeakPolarHBondContact O-CB 3.41Å; F336-L339 PolarHBondContact O-N 3.23Å
337	K	94.7	Very high	94.4	Very high	164 Å²	164	60.8 Å²	60.8	71%	0.713	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-60.5	-27.6	177.4	-64.6	172.2	-172.5	166.6	0	112.7	D335 L339	D335-K337 PolarHBondContact O-N 2.83Å; D335-K337 WeakPolarHBondContact OD1-CB 3.21Å; D335-K337 WeakPolarHBondContact OD1-CG 3.32Å; D335-K337 PolarHBondContact OD1-N 3.31Å; K337-L339 PolarHBondContact O-N 3.22Å
338	D	95.8	Very high	94.7	Very high	41 Å²	41	60.4 Å²	60.4	22%	0.219	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-78.2	-7.1	179.9	-75.8	-23.5	0	0	0	113.6	F333 D335 F336 T340 I341 K344	F333-D338 HydrophobicContact CE1-CB 4.08Å; F333-D338 HydrophobicContact CZ-CB 4.23Å; D335-D338 WeakPolarHBondContact O-CB 3.46Å; D335-D338 PolarHBondContact O-N 3.09Å; F336-D338 PolarHBondContact O-N 2.83Å; D338-T340 PolarHBondContact O-N 3.1Å; D338-I341 HydrophobicContact CB-CD1 4.07Å; D338-I341 WeakPolarHBondContact O-CB 3.26Å; D338-I341 PolarHBondContact O-N 2.73Å; D338-I341 WeakPolarHBondContact OD1-CD1 3.34Å; D338-K344 HydrophobicContact CB-CD 3.74Å; D338-K344 IonicContact OD1-NZ 3.49Å; D338-K344 PolarHBondContact OD1-NZ 2.81Å; D338-K344 IonicContact OD2-NZ 3.54Å; D338-K344 PolarHBondContact OD2-NZ 2.96Å
339	L	95.6	Very high	95.1	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.01	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-53.3	-38.1	-178.3	173.5	62.2	0	0	0	112.9	K279 F280 E283 I322 F336 K337 I341 L345	K279-L339 HydrophobicContact CB-CD2 4.21Å; F280-L339 HydrophobicContact CB-CD2 4.19Å; F280-L339 HydrophobicContact CD2-CD1 4.14Å; F280-L339 HydrophobicContact CD2-CD2 4.48Å; E283-L339 HydrophobicContact CB-CD1 3.92Å; E283-L339 HydrophobicContact CB-CG 4.2Å; E283-L339 HydrophobicContact CG-CD1 4.27Å; E283-L339 HydrophobicContact CG-CG 4.01Å; I322-L339 HydrophobicContact CD1-CD1 3.79Å; I322-L339 HydrophobicContact CD1-CD2 4.21Å; I322-L339 HydrophobicContact CD1-CG 4.39Å; F336-L339 HydrophobicContact CD2-CD2 4.26Å; F336-L339 HydrophobicContact CE2-CD2 3.55Å; F336-L339 HydrophobicContact CZ-CD2 3.71Å; F336-L339 WeakPolarHBondContact O-CB 3.41Å; F336-L339 PolarHBondContact O-N 3.23Å; K337-L339 PolarHBondContact O-N 3.22Å; L339-I341 VanDerWaalsContact C-N 3.33Å; L339-L345 HydrophobicContact CD1-CB 4.4Å; L339-L345 HydrophobicContact CD1-CD1 4.05Å; L339-L345 HydrophobicContact CD1-CD2 3.79Å; L339-L345 HydrophobicContact CD1-CG 4.29Å
340	T	94.2	Very high	95.3	Very high	78 Å²	78	53.2 Å²	53.2	48%	0.479	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-81.5	-11.8	-176.8	59.9	0	0	0	0	113.6	R286 D338 P342	R286-T340 PolarHBondContact NH2-O 2.82Å; D338-T340 PolarHBondContact O-N 3.1Å; T340-P342 WeakPolarHBondContact O-CD 3.41Å
341	I	95.4	Very high	95.4	Very high	67 Å²	67	53.9 Å²	53.9	34%	0.344	29%	0.29	S	S	.	.	S	Bend	trans	-68.4	119.4	177.6	-60	179.3	0	0	0	108.1	D338 L339 G343 K344	D338-I341 HydrophobicContact CB-CD1 4.07Å; D338-I341 WeakPolarHBondContact O-CB 3.26Å; D338-I341 PolarHBondContact O-N 2.73Å; D338-I341 WeakPolarHBondContact OD1-CD1 3.34Å; L339-I341 VanDerWaalsContact C-N 3.33Å; I341-G343 PolarHBondContact O-N 2.95Å; I341-K344 HydrophobicContact CB-CB 4.38Å; I341-K344 HydrophobicContact CB-CD 3.97Å; I341-K344 HydrophobicContact CB-CG 4.12Å; I341-K344 HydrophobicContact CD1-CD 4.02Å; I341-K344 HydrophobicContact CG2-CD 4.06Å; I341-K344 HydrophobicContact CG2-CG 3.94Å; I341-K344 PolarHBondContact O-N 3.44Å
342	P	93.1	Very high	95.3	Very high	101 Å²	101	54 Å²	54	66%	0.656	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	129.1	-175.9	-27.5	35.5	0	0	0	112.4	T340 K344	T340-P342 WeakPolarHBondContact O-CD 3.41Å; P342-K344 VanDerWaalsContact C-N 3.3Å; P342-K344 PolarHBondContact O-N 3.09Å
343	G	92.8	Very high	95.2	Very high	36 Å²	36	56 Å²	56	37%	0.371	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.4	-16.5	175.1	0	0	0	0	0	114.9	I341 K346 Q347	I341-G343 PolarHBondContact O-N 2.95Å; G343-K346 PolarHBondContact O-N 2.94Å; G343-Q347 VanDerWaalsContact O-CB 3.31Å; G343-Q347 WeakPolarHBondContact O-CB 3.36Å; G343-Q347 PolarHBondContact O-N 2.9Å
344	K	95.5	Very high	95.1	Very high	83 Å²	83	59.1 Å²	59.1	36%	0.361	32%	0.32	S	S	.	.	H	α-helix	trans	-63.7	-46.9	-179.6	-88.9	-162.1	174	178.9	0	112.6	F333 D338 I341 P342 K346 Q347 F348	F333-K344 HydrophobicContact CZ-CB 4.27Å; D338-K344 HydrophobicContact CB-CD 3.74Å; D338-K344 IonicContact OD1-NZ 3.49Å; D338-K344 PolarHBondContact OD1-NZ 2.81Å; D338-K344 IonicContact OD2-NZ 3.54Å; D338-K344 PolarHBondContact OD2-NZ 2.96Å; I341-K344 HydrophobicContact CB-CB 4.38Å; I341-K344 HydrophobicContact CB-CD 3.97Å; I341-K344 HydrophobicContact CB-CG 4.12Å; I341-K344 HydrophobicContact CD1-CD 4.02Å; I341-K344 HydrophobicContact CG2-CD 4.06Å; I341-K344 HydrophobicContact CG2-CG 3.94Å; I341-K344 PolarHBondContact O-N 3.44Å; P342-K344 VanDerWaalsContact C-N 3.3Å; P342-K344 PolarHBondContact O-N 3.09Å; K344-K346 VanDerWaalsContact C-N 3.34Å; K344-K346 PolarHBondContact O-N 3.5Å; K344-Q347 PolarHBondContact O-N 2.57Å; K344-F348 PolarHBondContact O-N 3.41Å
345	L	96.4	Very high	95.1	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-64.3	-41.2	178.1	-173.6	68.7	0	0	0	111.2	L265 E283 V284 L288 F333 L339 F348 V349	L265-L345 HydrophobicContact CD2-CD1 4.28Å; E283-L345 HydrophobicContact CB-CD2 4.26Å; V284-L345 HydrophobicContact CG2-CD2 4.24Å; L288-L345 HydrophobicContact CD1-CD2 3.7Å; L288-L345 HydrophobicContact CD1-CG 3.92Å; L288-L345 HydrophobicContact CG-CD2 4.22Å; L288-L345 HydrophobicContact CG-CG 4.48Å; F333-L345 HydrophobicContact CE2-CD1 4.48Å; L339-L345 HydrophobicContact CD1-CB 4.4Å; L339-L345 HydrophobicContact CD1-CD1 4.05Å; L339-L345 HydrophobicContact CD1-CD2 3.79Å; L339-L345 HydrophobicContact CD1-CG 4.29Å; L345-F348 WeakPolarHBondContact O-CB 3.16Å; L345-F348 PolarHBondContact O-N 2.99Å; L345-V349 PolarHBondContact O-N 3.3Å
346	K	96.3	Very high	95	Very high	73 Å²	73	54.2 Å²	54.2	32%	0.317	29%	0.293	S	S	.	.	H	α-helix	trans	-61	-45.1	173.9	-172.8	171.7	-174.7	164.9	0	112.4	L288 G343 K344 F348 V349 L350	L288-K346 HydrophobicContact CD2-CB 3.94Å; L288-K346 HydrophobicContact CD2-CG 4.18Å; G343-K346 PolarHBondContact O-N 2.94Å; K344-K346 VanDerWaalsContact C-N 3.34Å; K344-K346 PolarHBondContact O-N 3.5Å; K346-F348 VanDerWaalsContact C-N 3.26Å; K346-F348 PolarHBondContact O-N 2.97Å; K346-V349 PolarHBondContact O-N 3.32Å; K346-V349 VanDerWaalsContact O-N 3.17Å; K346-L350 HydrophobicContact CG-CD1 4.17Å; K346-L350 HydrophobicContact CG-CG 4.42Å; K346-L350 WeakPolarHBondContact O-CG 3.42Å; K346-L350 PolarHBondContact O-N 3.39Å
347	Q	96.3	Very high	94.8	Very high	92 Å²	92	53.4 Å²	53.4	43%	0.43	29%	0.291	S	S	.	.	H	α-helix	trans	-61.5	-37.6	178.3	-168	61.5	51.1	0	0	111.3	G343 K344 V349 L350 D351	G343-Q347 VanDerWaalsContact O-CB 3.31Å; G343-Q347 WeakPolarHBondContact O-CB 3.36Å; G343-Q347 PolarHBondContact O-N 2.9Å; K344-Q347 PolarHBondContact O-N 2.57Å; Q347-V349 VanDerWaalsContact C-N 3.31Å; Q347-V349 PolarHBondContact O-N 2.83Å; Q347-L350 PolarHBondContact O-N 2.85Å; Q347-D351 PolarHBondContact NE2-OD1 3.21Å; Q347-D351 VanDerWaalsContact O-CB 3.29Å; Q347-D351 WeakPolarHBondContact O-CB 3.4Å; Q347-D351 PolarHBondContact O-N 3.43Å
348	F	97.3	Very high	94.6	Very high	13 Å²	13	48.9 Å²	48.9	6%	0.057	27%	0.272	C	S	.	.	H	α-helix	trans	-59.6	-40.1	176.2	-172.5	-129	0	0	0	112.8	L265 I324 F333 K344 L345 K346 L352 L357	L265-F348 HydrophobicContact CD1-CD1 4.15Å; L265-F348 HydrophobicContact CD1-CE1 4.2Å; I324-F348 HydrophobicContact CB-CE1 4.24Å; I324-F348 HydrophobicContact CB-CZ 4.39Å; I324-F348 HydrophobicContact CD1-CD1 3.55Å; I324-F348 HydrophobicContact CD1-CE1 3.5Å; I324-F348 VanDerWaalsContact CD1-CE1 3.5Å; I324-F348 HydrophobicContact CD1-CG 4.11Å; I324-F348 HydrophobicContact CD1-CZ 3.99Å; I324-F348 HydrophobicContact CG1-CD1 4.02Å; I324-F348 HydrophobicContact CG1-CE1 3.54Å; I324-F348 HydrophobicContact CG1-CZ 4.12Å; F333-F348 HydrophobicContact CB-CD1 4.24Å; F333-F348 HydrophobicContact CB-CE1 3.89Å; F333-F348 HydrophobicContact CB-CZ 4.17Å; F333-F348 HydrophobicContact CD2-CB 3.92Å; F333-F348 AromaticContact CD2-CD1 3.69Å; F333-F348 HydrophobicContact CD2-CD1 3.69Å; F333-F348 HydrophobicContact CD2-CD2 4.19Å; F333-F348 HydrophobicContact CD2-CE1 4.19Å; F333-F348 AromaticContact CD2-CG 3.69Å; F333-F348 HydrophobicContact CD2-CG 3.69Å; F333-F348 HydrophobicContact CE2-CB 4.07Å; F333-F348 HydrophobicContact CE2-CG 4.35Å; F333-F348 HydrophobicContact CG-CD1 4.42Å; K344-F348 PolarHBondContact O-N 3.41Å; L345-F348 WeakPolarHBondContact O-CB 3.16Å; L345-F348 PolarHBondContact O-N 2.99Å; K346-F348 VanDerWaalsContact C-N 3.26Å; K346-F348 PolarHBondContact O-N 2.97Å; F348-L352 PolarHBondContact O-N 2.91Å; F348-L357 HydrophobicContact CD2-CD1 4.08Å; F348-L357 HydrophobicContact CD2-CD2 3.81Å; F348-L357 HydrophobicContact CE2-CD1 3.78Å; F348-L357 HydrophobicContact CE2-CD2 3.73Å; F348-L357 HydrophobicContact CE2-CG 4.43Å; F348-L357 HydrophobicContact CZ-CD1 4.39Å
349	V	96.9	Very high	94.2	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-69.2	-42	173.9	178.3	0	0	0	0	111.5	L265 L288 E291 I295 L345 K346 Q347 D351 L352 H353	L265-V349 HydrophobicContact CD2-CG2 4.16Å; L288-V349 HydrophobicContact CD1-CG2 4.12Å; L288-V349 HydrophobicContact CD2-CG2 4.09Å; E291-V349 HydrophobicContact CG-CG1 4.43Å; I295-V349 HydrophobicContact CD1-CG1 4.29Å; I295-V349 HydrophobicContact CD1-CG2 4.33Å; I295-V349 HydrophobicContact CG2-CG1 4.07Å; L345-V349 PolarHBondContact O-N 3.3Å; K346-V349 PolarHBondContact O-N 3.32Å; K346-V349 VanDerWaalsContact O-N 3.17Å; Q347-V349 VanDerWaalsContact C-N 3.31Å; Q347-V349 PolarHBondContact O-N 2.83Å; V349-D351 VanDerWaalsContact C-N 3.3Å; V349-D351 PolarHBondContact O-N 3.27Å; V349-L352 WeakPolarHBondContact O-CB 3.25Å; V349-L352 PolarHBondContact O-N 3.27Å; V349-H353 PolarHBondContact O-CD2 3.31Å; V349-H353 PolarHBondContact O-N 2.96Å
350	L	96	Very high	93.7	Very high	67 Å²	67	53.7 Å²	53.7	35%	0.351	29%	0.289	S	S	.	.	H	α-helix	trans	-65.3	-34.4	176.7	-64.6	175.4	0	0	0	112.4	K346 Q347 L352 H353 S354	K346-L350 HydrophobicContact CG-CD1 4.17Å; K346-L350 HydrophobicContact CG-CG 4.42Å; K346-L350 WeakPolarHBondContact O-CG 3.42Å; K346-L350 PolarHBondContact O-N 3.39Å; Q347-L350 PolarHBondContact O-N 2.85Å; L350-L352 VanDerWaalsContact C-N 3.29Å; L350-L352 PolarHBondContact O-N 3.02Å; L350-H353 PolarHBondContact O-N 3.02Å; L350-S354 WeakPolarHBondContact O-CB 3.44Å; L350-S354 PolarHBondContact O-N 2.85Å; L350-S354 PolarHBondContact O-OG 2.91Å
351	D	96.4	Very high	93.2	Very high	16 Å²	16	53.3 Å²	53.3	9%	0.086	28%	0.281	C	S	.	.	H	α-helix	trans	-68.3	-30.1	177.3	-72.8	-5.6	0	0	0	111.3	Q347 V349 S354 G355 K356 L357	Q347-D351 PolarHBondContact NE2-OD1 3.21Å; Q347-D351 VanDerWaalsContact O-CB 3.29Å; Q347-D351 WeakPolarHBondContact O-CB 3.4Å; Q347-D351 PolarHBondContact O-N 3.43Å; V349-D351 VanDerWaalsContact C-N 3.3Å; V349-D351 PolarHBondContact O-N 3.27Å; D351-S354 WeakPolarHBondContact CA-OG 3.31Å; D351-S354 PolarHBondContact O-OG 3.34Å; D351-G355 PolarHBondContact O-N 3.08Å; D351-K356 HydrophobicContact CB-CB 4.08Å; D351-K356 HydrophobicContact CB-CD 4.4Å; D351-K356 HydrophobicContact CB-CG 4.34Å; D351-K356 PolarHBondContact O-N 2.95Å; D351-K356 WeakPolarHBondContact OD1-CD 3.38Å; D351-K356 IonicContact OD1-NZ 3.5Å; D351-K356 PolarHBondContact OD1-NZ 3.2Å; D351-K356 IonicContact OD2-NZ 2.68Å; D351-K356 PolarHBondContact OD2-NZ 2.95Å; D351-L357 HydrophobicContact CB-CD2 3.76Å; D351-L357 HydrophobicContact CB-CG 3.78Å; D351-L357 PolarHBondContact O-N 3.2Å; D351-L357 VanDerWaalsContact O-N 3.08Å
352	L	94.9	Very high	92.2	Very high	24 Å²	24	52 Å²	52	13%	0.126	27%	0.273	C	S	.	.	H	α-helix	trans	-62.9	-55.9	168.9	173.7	69.1	0	0	0	110.4	P263 I295 I324 Y331 F348 V349 L350 S354 G355 L357	P263-L352 HydrophobicContact CB-CD2 3.95Å; P263-L352 HydrophobicContact CG-CD2 4.17Å; I295-L352 HydrophobicContact CD1-CD2 4.22Å; I324-L352 HydrophobicContact CD1-CB 4.14Å; I324-L352 HydrophobicContact CD1-CD2 4.34Å; I324-L352 HydrophobicContact CG2-CD1 3.88Å; I324-L352 HydrophobicContact CG2-CD2 3.62Å; I324-L352 HydrophobicContact CG2-CG 4.21Å; Y331-L352 HydrophobicContact CD2-CD1 4.08Å; Y331-L352 HydrophobicContact CE2-CD1 3.84Å; F348-L352 PolarHBondContact O-N 2.91Å; V349-L352 WeakPolarHBondContact O-CB 3.25Å; V349-L352 PolarHBondContact O-N 3.27Å; L350-L352 VanDerWaalsContact C-N 3.29Å; L350-L352 PolarHBondContact O-N 3.02Å; L352-S354 VanDerWaalsContact C-N 3.31Å; L352-S354 PolarHBondContact O-N 2.79Å; L352-G355 PolarHBondContact O-N 3.01Å; L352-L357 HydrophobicContact CB-CD1 3.85Å; L352-L357 HydrophobicContact CD1-CD1 4.48Å
353	H	93.4	Very high	91.6	Very high	95 Å²	95	53.3 Å²	53.3	44%	0.44	27%	0.27	S	S	.	.	H	α-helix	trans	-66.6	-31.5	-173.4	-66.9	-58.2	0	0	0	113.2	V349 L350 G355	V349-H353 PolarHBondContact O-CD2 3.31Å; V349-H353 PolarHBondContact O-N 2.96Å; L350-H353 PolarHBondContact O-N 3.02Å; H353-G355 PolarHBondContact O-N 3.38Å
354	S	94.6	Very high	90.8	Very high	76 Å²	76	52.5 Å²	52.5	53%	0.531	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-4.9	174.5	62.5	0	0	0	0	114	L350 D351 L352 K356	L350-S354 WeakPolarHBondContact O-CB 3.44Å; L350-S354 PolarHBondContact O-N 2.85Å; L350-S354 PolarHBondContact O-OG 2.91Å; D351-S354 WeakPolarHBondContact CA-OG 3.31Å; D351-S354 PolarHBondContact O-OG 3.34Å; L352-S354 VanDerWaalsContact C-N 3.31Å; L352-S354 PolarHBondContact O-N 2.79Å; S354-K356 PolarHBondContact O-N 3.31Å; S354-K356 WeakPolarHBondContact OG-CB 3.12Å
355	G	91.2	Very high	90	Very high	31 Å²	31	53.7 Å²	53.7	32%	0.32	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.1	7.7	-173.8	0	0	0	0	0	114	D351 L352 H353 H358 R359	D351-G355 PolarHBondContact O-N 3.08Å; L352-G355 PolarHBondContact O-N 3.01Å; H353-G355 PolarHBondContact O-N 3.38Å; G355-H358 PolarHBondContact O-N 3.18Å; G355-R359 PolarHBondContact O-N 3.21Å; G355-R359 VanDerWaalsContact O-N 3.1Å
356	K	92.9	Very high	89	Confident	44 Å²	44	56.2 Å²	56.2	19%	0.191	29%	0.292	C	S	.	.	H	α-helix	trans	-62.1	-42.5	178.9	175.8	168.6	164.3	-133	0	112	D351 S354 H358 R359 E360	D351-K356 HydrophobicContact CB-CB 4.08Å; D351-K356 HydrophobicContact CB-CD 4.4Å; D351-K356 HydrophobicContact CB-CG 4.34Å; D351-K356 PolarHBondContact O-N 2.95Å; D351-K356 WeakPolarHBondContact OD1-CD 3.38Å; D351-K356 IonicContact OD1-NZ 3.5Å; D351-K356 PolarHBondContact OD1-NZ 3.2Å; D351-K356 IonicContact OD2-NZ 2.68Å; D351-K356 PolarHBondContact OD2-NZ 2.95Å; S354-K356 PolarHBondContact O-N 3.31Å; S354-K356 WeakPolarHBondContact OG-CB 3.12Å; K356-H358 PolarHBondContact O-N 2.04Å; K356-R359 PolarHBondContact O-N 3.4Å; K356-R359 VanDerWaalsContact O-N 3.1Å; K356-E360 WeakPolarHBondContact CE-OE1 3.09Å; K356-E360 HydrophobicContact CG-CG 3.99Å; K356-E360 IonicContact NZ-OE1 3.43Å; K356-E360 WeakPolarHBondContact O-CG 3.37Å; K356-E360 PolarHBondContact O-N 3.37Å
357	L	91.9	Very high	87.9	Confident	19 Å²	19	58.6 Å²	58.6	10%	0.099	31%	0.314	C	S	.	.	H	α-helix	trans	-57.5	-38.3	177.4	-65.1	-179	0	0	0	112.6	I324 Y331 F348 D351 L352 F361	I324-L357 HydrophobicContact CD1-CD1 4.25Å; Y331-L357 HydrophobicContact CD1-CB 3.67Å; Y331-L357 HydrophobicContact CD1-CD1 4.46Å; Y331-L357 HydrophobicContact CD2-CB 4.27Å; Y331-L357 HydrophobicContact CD2-CD1 3.97Å; Y331-L357 HydrophobicContact CE1-CB 3.86Å; Y331-L357 HydrophobicContact CE2-CB 4.44Å; Y331-L357 HydrophobicContact CG-CB 3.88Å; Y331-L357 HydrophobicContact CG-CD1 3.83Å; Y331-L357 HydrophobicContact CG-CG 4.44Å; F348-L357 HydrophobicContact CD2-CD1 4.08Å; F348-L357 HydrophobicContact CD2-CD2 3.81Å; F348-L357 HydrophobicContact CE2-CD1 3.78Å; F348-L357 HydrophobicContact CE2-CD2 3.73Å; F348-L357 HydrophobicContact CE2-CG 4.43Å; F348-L357 HydrophobicContact CZ-CD1 4.39Å; D351-L357 HydrophobicContact CB-CD2 3.76Å; D351-L357 HydrophobicContact CB-CG 3.78Å; D351-L357 PolarHBondContact O-N 3.2Å; D351-L357 VanDerWaalsContact O-N 3.08Å; L352-L357 HydrophobicContact CB-CD1 3.85Å; L352-L357 HydrophobicContact CD1-CD1 4.48Å; L357-F361 PolarHBondContact O-N 2.91Å
358	H	89.3	Confident	86.6	Confident	69 Å²	69	58.1 Å²	58.1	32%	0.319	32%	0.318	S	S	.	.	H	α-helix	trans	-69.5	-43.8	177.4	-170	72.3	0	0	0	111.6	H329 Y331 G355 K356 F361 H362	H329-H358 AromaticContact CD2-CE1 3.89Å; H329-H358 AromaticContact CD2-ND1 3.74Å; H329-H358 AromaticContact NE2-CE1 3.76Å; Y331-H358 PolarHBondContact OH-ND1 3.28Å; G355-H358 PolarHBondContact O-N 3.18Å; K356-H358 PolarHBondContact O-N 2.04Å; H358-F361 PolarHBondContact O-N 3.03Å; H358-H362 AromaticContact CE1-NE2 3.67Å; H358-H362 AromaticContact NE2-CD2 3.84Å; H358-H362 AromaticContact NE2-NE2 3.7Å; H358-H362 PolarHBondContact O-CD2 3.11Å; H358-H362 PolarHBondContact O-N 3.09Å
359	R	87.6	Confident	84.7	Confident	93 Å²	93	66 Å²	66	35%	0.351	36%	0.361	S	S	.	.	H	α-helix	trans	-62.4	-47.4	177.2	-175.2	178.9	56.1	-99.3	4.1	111.7	G355 K356 F361 H362 H363 D366	G355-R359 PolarHBondContact O-N 3.21Å; G355-R359 VanDerWaalsContact O-N 3.1Å; K356-R359 PolarHBondContact O-N 3.4Å; K356-R359 VanDerWaalsContact O-N 3.1Å; R359-F361 VanDerWaalsContact C-N 3.26Å; R359-F361 PolarHBondContact O-N 3.04Å; R359-H362 PolarHBondContact O-N 3.27Å; R359-H362 VanDerWaalsContact O-N 3.13Å; R359-H363 WeakPolarHBondContact O-CB 3.31Å; R359-H363 PolarHBondContact O-CD2 3.13Å; R359-H363 VanDerWaalsContact O-CD2 3.27Å; R359-H363 PolarHBondContact O-N 3.49Å; R359-D366 IonicContact CZ-OD1 2.75Å; R359-D366 IonicContact CZ-OD2 3.91Å; R359-D366 IonicContact NE-OD1 2.64Å; R359-D366 PolarHBondContact NE-OD1 3.37Å; R359-D366 IonicContact NE-OD2 2.68Å; R359-D366 IonicContact NH2-OD1 3.06Å; R359-D366 IonicContact NH2-OD2 3.53Å; R359-D366 PolarHBondContact NH2-OD2 3.44Å
360	E	85.8	Confident	82.5	Confident	51 Å²	51	70.9 Å²	70.9	24%	0.238	40%	0.395	C	S	.	.	H	α-helix	trans	-66.4	-28.9	-178.3	-71.5	-172.6	148.1	0	0	112.7	K356 H362 G364 D366	K356-E360 WeakPolarHBondContact CE-OE1 3.09Å; K356-E360 HydrophobicContact CG-CG 3.99Å; K356-E360 IonicContact NZ-OE1 3.43Å; K356-E360 WeakPolarHBondContact O-CG 3.37Å; K356-E360 PolarHBondContact O-N 3.37Å; E360-H362 VanDerWaalsContact C-N 3.33Å; E360-H362 PolarHBondContact O-N 3.46Å; E360-G364 VanDerWaalsContact CA-O 3.29Å; E360-G364 WeakPolarHBondContact CA-O 3.23Å; E360-G364 CarbonylContact O-C 3.52Å; E360-G364 WeakPolarHBondContact O-CA 3.49Å; E360-G364 PolarHBondContact O-N 3.36Å; E360-D366 PolarHBondContact OE1-N 3.49Å
361	F	82.4	Confident	80.1	Confident	69 Å²	69	71.7 Å²	71.7	30%	0.303	40%	0.403	S	S	.	.	H	α-helix	trans	-61.9	-42	172.3	-173	-86.2	0	0	0	112.1	L357 H358 R359 V380 S382 N383 P384	L357-F361 PolarHBondContact O-N 2.91Å; H358-F361 PolarHBondContact O-N 3.03Å; R359-F361 VanDerWaalsContact C-N 3.26Å; R359-F361 PolarHBondContact O-N 3.04Å; F361-V380 HydrophobicContact CE1-CG1 3.86Å; F361-V380 HydrophobicContact CZ-CG1 4.37Å; F361-S382 WeakPolarHBondContact CE1-O 3.36Å; F361-N383 VanDerWaalsContact CE1-C 3.48Å; F361-P384 HydrophobicContact CB-CB 4.43Å; F361-P384 HydrophobicContact CB-CG 3.96Å; F361-P384 HydrophobicContact CD1-CB 3.84Å; F361-P384 HydrophobicContact CD1-CG 3.5Å; F361-P384 HydrophobicContact CD2-CB 3.91Å; F361-P384 HydrophobicContact CD2-CG 4.29Å; F361-P384 HydrophobicContact CE1-CB 4.09Å; F361-P384 HydrophobicContact CE1-CG 4.11Å; F361-P384 VanDerWaalsContact CE1-N 3.31Å; F361-P384 HydrophobicContact CE2-CB 4.14Å; F361-P384 HydrophobicContact CG-CB 3.76Å; F361-P384 HydrophobicContact CG-CG 3.63Å; F361-P384 VanDerWaalsContact CZ-CA 3.48Å; F361-P384 HydrophobicContact CZ-CB 4.24Å
362	H	75.8	Confident	77.6	Confident	40 Å²	40	76.8 Å²	76.8	19%	0.185	44%	0.437	C	S	.	.	H	α-helix	trans	-83	-31.4	-178.4	-75.2	-65.5	0	0	0	113.9	H358 R359 E360 V380 S382	H358-H362 AromaticContact CE1-NE2 3.67Å; H358-H362 AromaticContact NE2-CD2 3.84Å; H358-H362 AromaticContact NE2-NE2 3.7Å; H358-H362 PolarHBondContact O-CD2 3.11Å; H358-H362 PolarHBondContact O-N 3.09Å; R359-H362 PolarHBondContact O-N 3.27Å; R359-H362 VanDerWaalsContact O-N 3.13Å; E360-H362 VanDerWaalsContact C-N 3.33Å; E360-H362 PolarHBondContact O-N 3.46Å; H362-V380 PolarHBondContact ND1-O 2.89Å; H362-S382 PolarHBondContact CE1-O 2.93Å
363	H	80.9	Confident	75.2	Confident	128 Å²	128	79.1 Å²	79.1	59%	0.593	47%	0.466	S	S	*	.	H	α-helix	trans	-117.8	-1.7	-167.8	-58.5	-60.1	0	0	0	114.4	R359	R359-H363 WeakPolarHBondContact O-CB 3.31Å; R359-H363 PolarHBondContact O-CD2 3.13Å; R359-H363 VanDerWaalsContact O-CD2 3.27Å; R359-H363 PolarHBondContact O-N 3.49Å
364	G	75.1	Confident	72.8	Confident	20 Å²	20	83.1 Å²	83.1	21%	0.206	49%	0.485	C	S	.	.			trans	74.8	-178.9	-168.9	0	0	0	0	0	112.3	E360	E360-G364 VanDerWaalsContact CA-O 3.29Å; E360-G364 WeakPolarHBondContact CA-O 3.23Å; E360-G364 CarbonylContact O-C 3.52Å; E360-G364 WeakPolarHBondContact O-CA 3.49Å; E360-G364 PolarHBondContact O-N 3.36Å
365	P	78.6	Confident	70.5	Confident	108 Å²	108	88.7 Å²	88.7	70%	0.701	50%	0.503	S	S	*	.	S	Bend	trans	-56.2	140.1	-177.9	-22.1	32.3	0	0	0	112.1
366	D	76.4	Confident	68.5	Low	53 Å²	53	89.5 Å²	89.5	28%	0.283	51%	0.506	S	S	.	.	P	Polyproline II helix	trans	-58.8	135.2	175.9	-74.4	-32.3	0	0	0	110.3	R359 E360 T368	R359-D366 IonicContact CZ-OD1 2.75Å; R359-D366 IonicContact CZ-OD2 3.91Å; R359-D366 IonicContact NE-OD1 2.64Å; R359-D366 PolarHBondContact NE-OD1 3.37Å; R359-D366 IonicContact NE-OD2 2.68Å; R359-D366 IonicContact NH2-OD1 3.06Å; R359-D366 IonicContact NH2-OD2 3.53Å; R359-D366 PolarHBondContact NH2-OD2 3.44Å; E360-D366 PolarHBondContact OE1-N 3.49Å; D366-T368 PolarHBondContact O-N 2.9Å
367	P	72.1	Confident	66.4	Low	122 Å²	122	96.5 Å²	96.5	79%	0.792	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-63.5	132.8	178.8	23	-30.2	0	0	0	110.7
368	T	70.2	Confident	64.4	Low	83 Å²	83	104.8 Å²	104.8	51%	0.509	58%	0.575	S	S	.	*			trans	-105.4	148.1	174.5	52.7	0	0	0	0	110.3	D366 S370 T371	D366-T368 PolarHBondContact O-N 2.9Å; T368-S370 PolarHBondContact O-N 2.97Å; T368-T371 PolarHBondContact O-N 3.23Å
369	D	56.5	Low	62.3	Low	177 Å²	177	109.8 Å²	109.8	95%	0.947	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.1	-19.1	-177.6	-76.8	-25.8	0	0	0	114
370	S	50	Low	60.6	Low	104 Å²	104	108.4 Å²	108.4	73%	0.727	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.4	-6.5	178.2	51.4	0	0	0	0	115.2	T368	T368-S370 PolarHBondContact O-N 2.97Å
371	T	46.1	Very low	59.1	Low	84 Å²	84	110.6 Å²	110.6	52%	0.515	63%	0.627	S	S	.	*			trans	-136.4	68.2	-178.8	-31.8	0	0	0	0	111.6	T368 G373	T368-T371 PolarHBondContact O-N 3.23Å; T371-G373 PolarHBondContact O-N 3.27Å
372	P	43.1	Very low	58.3	Low	123 Å²	123	110.7 Å²	110.7	80%	0.799	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.6	106.5	173.1	24.4	-14.5	0	0	0	108.9
373	G	46.4	Very low	58.2	Low	72 Å²	72	114 Å²	114	74%	0.742	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	135.1	21.3	161.7	0	0	0	0	0	119.4	T371	T371-G373 PolarHBondContact O-N 3.27Å
374	Q	43.1	Very low	58.2	Low	179 Å²	179	108 Å²	108	84%	0.836	63%	0.628	S	S	*	*			trans	-102.1	96.4	155.6	-85.7	-179.7	-18.1	0	0	108.1	A376	Q374-A376 VanDerWaalsContact C-N 3.34Å; Q374-A376 PolarHBondContact O-N 3.15Å
375	E	45.7	Very low	58.7	Low	194 Å²	194	108.6 Å²	108.6	91%	0.907	63%	0.628	S	S	*	*			trans	-59	102.3	162.6	-72.7	-178.5	154.6	0	0	107	E377	E375-E377 PolarHBondContact O-N 2.7Å
376	A	49	Very low	59.1	Low	47 Å²	47	110 Å²	110	39%	0.388	63%	0.625	S	S	.	*			trans	-56.8	130.8	165.4	0	0	0	0	0	107.2	Q374 K378	Q374-A376 VanDerWaalsContact C-N 3.34Å; Q374-A376 PolarHBondContact O-N 3.15Å; A376-K378 PolarHBondContact O-N 2.97Å
377	E	48.1	Very low	59.6	Low	191 Å²	191	107.9 Å²	107.9	89%	0.893	62%	0.615	S	S	*	*			trans	-48.4	107.1	177.3	-75.6	179	156.7	0	0	109.3	E375 E379	E375-E377 PolarHBondContact O-N 2.7Å; E377-E379 PolarHBondContact O-N 2.95Å
378	K	49.8	Very low	60.3	Low	194 Å²	194	102.3 Å²	102.3	84%	0.843	58%	0.579	S	S	*	*	S	Bend	trans	-67.9	100.6	172	-88.1	-179.6	175.1	173.6	0	107.5	A376	A376-K378 PolarHBondContact O-N 2.97Å
379	E	46.2	Very low	61.2	Low	173 Å²	173	98.4 Å²	98.4	81%	0.808	56%	0.555	S	S	*	*			trans	156.5	84.8	136.4	-86.9	179.8	175.3	0	0	110.1	E377 A381	E377-E379 PolarHBondContact O-N 2.95Å; E379-A381 VanDerWaalsContact C-N 3.34Å; E379-A381 PolarHBondContact O-N 3.34Å
380	V	50.9	Low	62.7	Low	64 Å²	64	93.7 Å²	93.7	39%	0.388	53%	0.527	S	S	.	.			trans	-87.1	87.6	149.3	-174.5	0	0	0	0	106.1	F361 H362 S382	F361-V380 HydrophobicContact CE1-CG1 3.86Å; F361-V380 HydrophobicContact CZ-CG1 4.37Å; H362-V380 PolarHBondContact ND1-O 2.89Å; V380-S382 WeakPolarHBondContact CG1-OG 3.06Å; V380-S382 PolarHBondContact O-N 2.83Å; V380-S382 VanDerWaalsContact O-N 3.15Å
381	A	54.4	Low	64.4	Low	98 Å²	98	94.8 Å²	94.8	81%	0.81	52%	0.519	S	S	*	.			trans	-68	-2.9	176.7	0	0	0	0	0	113.2	E379	E379-A381 VanDerWaalsContact C-N 3.34Å; E379-A381 PolarHBondContact O-N 3.34Å
382	S	65.6	Low	66.4	Low	70 Å²	70	92.8 Å²	92.8	49%	0.49	50%	0.504	S	S	.	.	S	Bend	trans	-92.6	143.6	176	55.4	0	0	0	0	111.5	F361 H362 V380	F361-S382 WeakPolarHBondContact CE1-O 3.36Å; H362-S382 PolarHBondContact CE1-O 2.93Å; V380-S382 WeakPolarHBondContact CG1-OG 3.06Å; V380-S382 PolarHBondContact O-N 2.83Å; V380-S382 VanDerWaalsContact O-N 3.15Å
383	N	75	Confident	68.6	Low	110 Å²	110	87.6 Å²	87.6	59%	0.588	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-65.2	156.8	170	-67.9	-34.5	0	0	0	111.2	F361	F361-N383 VanDerWaalsContact CE1-C 3.48Å
384	P	79.7	Confident	70.7	Confident	1 Å²	1	85.5 Å²	85.5	1%	0.006	45%	0.445	C	S	.	.	P	Polyproline II helix	trans	-55.8	154.3	168.7	-13.9	22.4	0	0	0	111.3	H329 Y331 F361 E386	H329-P384 HydrophobicContact CB-CB 3.88Å; H329-P384 HydrophobicContact CB-CG 4.39Å; H329-P384 PolarHBondContact ND1-O 3.27Å; Y331-P384 HydrophobicContact CE1-CB 4.16Å; Y331-P384 HydrophobicContact CE1-CG 4.25Å; F361-P384 HydrophobicContact CB-CB 4.43Å; F361-P384 HydrophobicContact CB-CG 3.96Å; F361-P384 HydrophobicContact CD1-CB 3.84Å; F361-P384 HydrophobicContact CD1-CG 3.5Å; F361-P384 HydrophobicContact CD2-CB 3.91Å; F361-P384 HydrophobicContact CD2-CG 4.29Å; F361-P384 HydrophobicContact CE1-CB 4.09Å; F361-P384 HydrophobicContact CE1-CG 4.11Å; F361-P384 VanDerWaalsContact CE1-N 3.31Å; F361-P384 HydrophobicContact CE2-CB 4.14Å; F361-P384 HydrophobicContact CG-CB 3.76Å; F361-P384 HydrophobicContact CG-CG 3.63Å; F361-P384 VanDerWaalsContact CZ-CA 3.48Å; F361-P384 HydrophobicContact CZ-CB 4.24Å; P384-E386 PolarHBondContact O-N 3.13Å
385	P	85.3	Confident	73	Confident	34 Å²	34	79 Å²	79	22%	0.221	42%	0.42	C	S	.	.	P	Polyproline II helix	trans	-47.6	129	179	-28.8	35.3	0	0	0	111.7	H311 I312 H329 M330	H311-P385 WeakPolarHBondContact O-CB 3.38Å; I312-P385 HydrophobicContact CG2-CB 4.44Å; H329-P385 CarbonylContact C-O 3.53Å; H329-P385 WeakPolarHBondContact CA-O 3.2Å; M330-P385 HydrophobicContact CB-CB 4.5Å; M330-P385 PolarHBondContact N-O 3.3Å
386	E	87.4	Confident	75.2	Confident	137 Å²	137	76 Å²	76	64%	0.64	41%	0.406	S	S	*	.	B	Isolated β-bridge	trans	-64.3	148.4	179.3	-66.9	-171.3	168.2	0	0	111.4	H311 P384 S388	H311-E386 PolarHBondContact ND1-O 3.3Å; P384-E386 PolarHBondContact O-N 3.13Å; E386-S388 PolarHBondContact O-N 3.29Å
387	S	87.4	Confident	77.3	Confident	9 Å²	9	79.4 Å²	79.4	6%	0.063	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-49.5	130	174.2	177	0	0	0	0	111.8	D325 F327 R328 F389 Q390	D325-S387 WeakPolarHBondContact OD1-CB 3.46Å; D325-S387 PolarHBondContact OD1-OG 2.91Å; D325-S387 WeakPolarHBondContact OD2-CA 3.29Å; D325-S387 PolarHBondContact OD2-OG 3.45Å; F327-S387 VanDerWaalsContact C-CB 3.46Å; F327-S387 WeakPolarHBondContact CA-OG 3.21Å; R328-S387 PolarHBondContact O-N 3.33Å; S387-F389 PolarHBondContact OG-N 3.39Å; S387-Q390 WeakPolarHBondContact OG-CB 3.33Å; S387-Q390 PolarHBondContact OG-N 3.41Å
388	S	86.8	Confident	79.5	Confident	5 Å²	5	73.7 Å²	73.7	4%	0.035	39%	0.392	C	S	.	.	S	Bend	trans	-92.1	-33.5	171.9	-144.1	0	0	0	0	111.1	P308 D325 E386 K391	P308-S388 VanDerWaalsContact CA-OG 3.32Å; P308-S388 WeakPolarHBondContact CA-OG 3.15Å; P308-S388 WeakPolarHBondContact CG-OG 3.19Å; D325-S388 PolarHBondContact OD2-N 3.1Å; E386-S388 PolarHBondContact O-N 3.29Å; S388-K391 WeakPolarHBondContact O-CB 3.49Å; S388-K391 PolarHBondContact O-N 3.26Å
389	F	89.3	Confident	81.7	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-79.1	-17.8	-177.3	-68.3	-91.2	0	0	0	113.2	I249 F264 I266 F268 F305 P308 D325 F327 M330 S387 K391 L392	I249-F389 HydrophobicContact CD1-CD1 3.49Å; I249-F389 VanDerWaalsContact CD1-CD1 3.49Å; I249-F389 HydrophobicContact CD1-CE1 3.63Å; I249-F389 HydrophobicContact CG1-CE1 4.27Å; I249-F389 HydrophobicContact CG2-CE1 4.23Å; F264-F389 HydrophobicContact CD2-CB 3.89Å; F264-F389 HydrophobicContact CD2-CD1 4.15Å; F264-F389 AromaticContact CD2-CG 3.97Å; F264-F389 HydrophobicContact CD2-CG 3.97Å; F264-F389 HydrophobicContact CE2-CB 3.91Å; F264-F389 HydrophobicContact CE2-CD1 4.15Å; F264-F389 HydrophobicContact CE2-CG 4.21Å; I266-F389 HydrophobicContact CD1-CD1 4.3Å; I266-F389 HydrophobicContact CD1-CD2 3.67Å; I266-F389 HydrophobicContact CD1-CE1 3.97Å; I266-F389 HydrophobicContact CD1-CE2 3.3Å; I266-F389 HydrophobicContact CD1-CG 4.17Å; I266-F389 HydrophobicContact CD1-CZ 3.46Å; I266-F389 VanDerWaalsContact CD1-CZ 3.46Å; F268-F389 HydrophobicContact CE1-CE2 4.39Å; F268-F389 AromaticContact CE1-CZ 3.95Å; F268-F389 HydrophobicContact CE1-CZ 3.95Å; F268-F389 AromaticContact CZ-CE2 3.71Å; F268-F389 HydrophobicContact CZ-CE2 3.71Å; F268-F389 AromaticContact CZ-CZ 3.7Å; F268-F389 HydrophobicContact CZ-CZ 3.7Å; F305-F389 HydrophobicContact CD1-CE1 4.05Å; F305-F389 HydrophobicContact CD1-CZ 4.24Å; F305-F389 AromaticContact CE1-CE1 3.95Å; F305-F389 HydrophobicContact CE1-CE1 3.95Å; P308-F389 HydrophobicContact CB-CE2 3.91Å; P308-F389 HydrophobicContact CB-CZ 4.1Å; P308-F389 HydrophobicContact CG-CE2 4.43Å; P308-F389 HydrophobicContact CG-CZ 4.33Å; D325-F389 HydrophobicContact CB-CD2 4Å; D325-F389 WeakPolarHBondContact OD2-CD2 3.47Å; D325-F389 PolarHBondContact OD2-N 3.11Å; F327-F389 HydrophobicContact CE1-CB 4.32Å; M330-F389 HydrophobicContact CE-CD2 4.49Å; M330-F389 HydrophobicContact CE-CE2 4.21Å; S387-F389 PolarHBondContact OG-N 3.39Å; F389-K391 PolarHBondContact O-N 3.27Å; F389-K391 VanDerWaalsContact O-N 3.15Å; F389-L392 HydrophobicContact CD1-CD1 3.79Å; F389-L392 HydrophobicContact CE1-CD1 4.3Å; F389-L392 WeakPolarHBondContact O-CB 3.32Å; F389-L392 PolarHBondContact O-N 3.49Å
390	Q	87.4	Confident	84.1	Confident	78 Å²	78	57.9 Å²	57.9	36%	0.364	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-58	-25.4	168	-178.1	58.4	32.5	0	0	112	F327 S387 L392 A393	F327-Q390 VanDerWaalsContact CB-OE1 3.31Å; F327-Q390 HydrophobicContact CD1-CB 4.48Å; S387-Q390 WeakPolarHBondContact OG-CB 3.33Å; S387-Q390 PolarHBondContact OG-N 3.41Å; Q390-L392 PolarHBondContact O-N 3.26Å; Q390-A393 VanDerWaalsContact O-CB 3.22Å; Q390-A393 WeakPolarHBondContact O-CB 3.38Å; Q390-A393 PolarHBondContact O-N 3.28Å
391	K	86.9	Confident	86.1	Confident	128 Å²	128	57.7 Å²	57.7	56%	0.557	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-72.2	-16.9	174.9	-60.7	176.9	179	174.9	0	113.3	H311 S388 F389	H311-K391 PolarHBondContact CE1-NZ 2.97Å; H311-K391 PolarHBondContact NE2-NZ 3.13Å; S388-K391 WeakPolarHBondContact O-CB 3.49Å; S388-K391 PolarHBondContact O-N 3.26Å; F389-K391 PolarHBondContact O-N 3.27Å; F389-K391 VanDerWaalsContact O-N 3.15Å
392	L	87.5	Confident	87.7	Confident	41 Å²	41	55.2 Å²	55.2	22%	0.215	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-89.4	-8.8	173	-57.7	-177.9	0	0	0	112.3	I249 F251 E255 T258 F305 F389 Q390	I249-L392 HydrophobicContact CD1-CD1 4.47Å; F251-L392 HydrophobicContact CD1-CD2 4.21Å; E255-L392 WeakPolarHBondContact CA-O 3.28Å; E255-L392 WeakPolarHBondContact CB-O 3.37Å; T258-L392 HydrophobicContact CG2-CB 4.49Å; F305-L392 HydrophobicContact CE1-CD1 4.27Å; F389-L392 HydrophobicContact CD1-CD1 3.79Å; F389-L392 HydrophobicContact CE1-CD1 4.3Å; F389-L392 WeakPolarHBondContact O-CB 3.32Å; F389-L392 PolarHBondContact O-N 3.49Å; Q390-L392 PolarHBondContact O-N 3.26Å
393	A	89.8	Confident	87.7	Confident	15 Å²	15	61.8 Å²	61.8	12%	0.124	31%	0.306	C	S	.	.	S	Bend	trans	-63.5	159.5	173.3	0	0	0	0	0	111.3	T258 Q390 S395	T258-A393 HydrophobicContact CG2-CB 4.41Å; T258-A393 WeakPolarHBondContact OG1-CA 3.48Å; Q390-A393 VanDerWaalsContact O-CB 3.22Å; Q390-A393 WeakPolarHBondContact O-CB 3.38Å; Q390-A393 PolarHBondContact O-N 3.28Å; A393-S395 PolarHBondContact O-N 3.41Å
394	P	89.8	Confident	86.7	Confident	27 Å²	27	63.7 Å²	63.7	18%	0.175	31%	0.305	C	S	.	.			trans	-49.6	115.1	174.6	-30.6	37.1	0	0	0	112.1	K107 E255 E259 Y399 I401	K107-P394 HydrophobicContact CD-CB 3.72Å; K107-P394 HydrophobicContact CD-CG 3.95Å; E255-P394 HydrophobicContact CG-CB 4.49Å; E255-P394 HydrophobicContact CG-CG 3.83Å; E259-P394 HydrophobicContact CG-CG 3.58Å; E259-P394 WeakPolarHBondContact OE1-CG 3.12Å; P394-Y399 HydrophobicContact CB-CD2 3.89Å; P394-Y399 HydrophobicContact CB-CE2 4.14Å; P394-I401 HydrophobicContact CB-CD1 3.59Å
395	S	91.7	Very high	84.8	Confident	43 Å²	43	69.5 Å²	69.5	30%	0.301	34%	0.336	S	S	.	.			trans	-84.3	135.5	-174.2	177.7	0	0	0	0	112.5	A393 T397 R398 Y399	A393-S395 PolarHBondContact O-N 3.41Å; S395-T397 PolarHBondContact O-N 3.08Å; S395-T397 VanDerWaalsContact O-N 3.09Å; S395-T397 PolarHBondContact OG-N 3.37Å; S395-T397 VanDerWaalsContact OG-N 3.11Å; S395-T397 PolarHBondContact OG-OG1 2.93Å; S395-R398 PolarHBondContact O-N 3.37Å; S395-Y399 PolarHBondContact O-N 3.49Å
396	E	91.9	Very high	82.7	Confident	132 Å²	132	76.5 Å²	76.5	62%	0.617	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-16.5	170.2	-64	-172.4	162.9	0	0	112.7	F61 R398 Y399 I401	F61-E396 WeakPolarHBondContact CE2-O 3.28Å; F61-E396 WeakPolarHBondContact CZ-O 3.48Å; E396-R398 VanDerWaalsContact C-N 3.28Å; E396-R398 PolarHBondContact O-N 3.47Å; E396-Y399 CarbonylContact C-O 3.46Å; E396-Y399 WeakPolarHBondContact CA-O 3.13Å; E396-I401 HydrophobicContact CG-CG1 4.03Å
397	T	92.1	Very high	80.2	Confident	117 Å²	117	77.4 Å²	77.4	72%	0.718	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-11.5	175.4	65.3	0	0	0	0	114	F61 S395	F61-T397 WeakPolarHBondContact CE1-O 3.3Å; F61-T397 VanDerWaalsContact CZ-O 3.23Å; F61-T397 WeakPolarHBondContact CZ-O 3.34Å; S395-T397 PolarHBondContact O-N 3.08Å; S395-T397 VanDerWaalsContact O-N 3.09Å; S395-T397 PolarHBondContact OG-N 3.37Å; S395-T397 VanDerWaalsContact OG-N 3.11Å; S395-T397 PolarHBondContact OG-OG1 2.93Å
398	R	94.7	Very high	77.4	Confident	71 Å²	71	85.4 Å²	85.4	27%	0.268	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.1	-10.5	179.2	71.4	177.3	-65.8	-165.4	10.3	113.8	F61 R125 G126 R128 E255 S395 E396	F61-R398 VanDerWaalsContact CG-O 3.31Å; F61-R398 WeakPolarHBondContact CG-O 3.43Å; R125-R398 PolarHBondContact O-NH1 3.15Å; R125-R398 PolarHBondContact O-NH2 3.42Å; G126-R398 PolarHBondContact O-NH2 3.23Å; R128-R398 PolarHBondContact NH1-O 2.86Å; R128-R398 PolarHBondContact NH2-O 2.99Å; R128-R398 VanDerWaalsContact NH2-O 3.12Å; E255-R398 IonicContact OE2-CZ 3.91Å; E255-R398 IonicContact OE2-NH1 2.62Å; E255-R398 PolarHBondContact OE2-NH1 3.35Å; S395-R398 PolarHBondContact O-N 3.37Å; E396-R398 VanDerWaalsContact C-N 3.28Å; E396-R398 PolarHBondContact O-N 3.47Å
399	Y	96.1	Very high	74.7	Confident	6 Å²	6	96.4 Å²	96.4	2%	0.024	46%	0.461	C	S	.	.			trans	-133.6	153.2	178.3	-60.4	-75.3	0	0	0	110.7	F61 K107 Y108 P109 E255 P394 S395 E396 I401	F61-Y399 VanDerWaalsContact CE2-C 3.5Å; F61-Y399 WeakPolarHBondContact CE2-O 3.4Å; K107-Y399 HydrophobicContact CB-CD1 4.37Å; K107-Y399 HydrophobicContact CB-CG 4.37Å; K107-Y399 HydrophobicContact CD-CD1 3.85Å; K107-Y399 HydrophobicContact CD-CD2 4.07Å; K107-Y399 HydrophobicContact CD-CE1 3.94Å; K107-Y399 HydrophobicContact CD-CE2 4.18Å; K107-Y399 HydrophobicContact CD-CG 3.94Å; K107-Y399 HydrophobicContact CG-CD1 4.03Å; K107-Y399 HydrophobicContact CG-CE1 4.38Å; K107-Y399 HydrophobicContact CG-CG 4.35Å; Y108-Y399 CarbonylContact O-C 3.51Å; Y108-Y399 VanDerWaalsContact O-CA 3.28Å; Y108-Y399 WeakPolarHBondContact O-CA 3.39Å; P109-Y399 WeakPolarHBondContact O-CD1 3.31Å; P109-Y399 WeakPolarHBondContact O-CE1 3.27Å; E255-Y399 VanDerWaalsContact OE1-CE2 3.29Å; E255-Y399 WeakPolarHBondContact OE1-CE2 3.36Å; E255-Y399 VanDerWaalsContact OE1-CZ 3.3Å; E255-Y399 PolarHBondContact OE1-OH 3.5Å; P394-Y399 HydrophobicContact CB-CD2 3.89Å; P394-Y399 HydrophobicContact CB-CE2 4.14Å; S395-Y399 PolarHBondContact O-N 3.49Å; E396-Y399 CarbonylContact C-O 3.46Å; E396-Y399 WeakPolarHBondContact CA-O 3.13Å; Y399-I401 HydrophobicContact CD2-CD1 4.45Å; Y399-I401 HydrophobicContact CG-CD1 4.39Å
400	T	95.8	Very high	73.9	Confident	29 Å²	29	101.3 Å²	101.3	18%	0.178	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	115	154.4	-70	0	0	0	0	107.6	W58 C59 K107 Y108	W58-T400 HydrophobicContact CH2-CG2 3.34Å; W58-T400 HydrophobicContact CZ3-CG2 3.35Å; C59-T400 PolarHBondContact SG-OG1 3.36Å; K107-T400 CarbonylContact C-O 3.56Å; K107-T400 WeakPolarHBondContact CA-O 3.2Å; Y108-T400 HydrophobicContact CD2-CG2 4.44Å; Y108-T400 PolarHBondContact N-O 3.48Å; Y108-T400 PolarHBondContact O-N 2.96Å
401	I	93.1	Very high	73.2	Confident	61 Å²	61	102.5 Å²	102.5	31%	0.313	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	127.2	-179.9	-53.4	-57.5	0	0	0	109.9	K107 P394 E396 Y399 R403	K107-I401 HydrophobicContact CB-CD1 3.89Å; P394-I401 HydrophobicContact CB-CD1 3.59Å; E396-I401 HydrophobicContact CG-CG1 4.03Å; Y399-I401 HydrophobicContact CD2-CD1 4.45Å; Y399-I401 HydrophobicContact CG-CD1 4.39Å; I401-R403 PolarHBondContact O-N 2.98Å
402	L	87.9	Confident	72.5	Confident	45 Å²	45	101.1 Å²	101.1	24%	0.236	49%	0.487	C	S	.	.			trans	-85.7	107.6	176.2	-50.4	175.9	0	0	0	107.7	I105 T106 Y108 R404	I105-L402 HydrophobicContact CG2-CD1 4.49Å; T106-L402 WeakPolarHBondContact O-CA 3.42Å; T106-L402 VanDerWaalsContact O-CB 3.27Å; T106-L402 WeakPolarHBondContact O-CB 3.45Å; T106-L402 WeakPolarHBondContact O-CG 3.44Å; T106-L402 PolarHBondContact O-N 3.2Å; Y108-L402 HydrophobicContact CD1-CD1 4.49Å; Y108-L402 HydrophobicContact CD2-CD2 3.84Å; Y108-L402 HydrophobicContact CE1-CD1 3.82Å; Y108-L402 HydrophobicContact CE2-CD1 3.91Å; Y108-L402 HydrophobicContact CE2-CD2 3.41Å; Y108-L402 VanDerWaalsContact CE2-CD2 3.41Å; Y108-L402 HydrophobicContact CE2-CG 4.17Å; Y108-L402 VanDerWaalsContact CZ-CD1 3.47Å; Y108-L402 WeakPolarHBondContact OH-CD1 3.49Å; L402-R404 PolarHBondContact O-N 3.45Å
403	R	65.8	Low	71.6	Confident	208 Å²	208	104.6 Å²	104.6	79%	0.785	50%	0.503	S	S	*	.			trans	-68.2	104.4	172.7	-63.9	-174.8	-178.7	-171.5	0.1	107.6	I401	I401-R403 PolarHBondContact O-N 2.98Å
404	R	53.7	Low	70.4	Confident	150 Å²	150	110.2 Å²	110.2	57%	0.566	53%	0.526	S	S	*	.			trans	-78.6	125	148	-72.5	-174.1	177.9	178	-0.9	105.1	L402 R406	L402-R404 PolarHBondContact O-N 3.45Å; R404-R406 PolarHBondContact O-N 2.79Å
405	D	39.7	Very low	69.2	Low	123 Å²	123	115.7 Å²	115.7	66%	0.658	55%	0.55	S	S	*	.			trans	-50.5	116.9	177	-70.3	-40.7	0	0	0	108.3	D407 E408	D405-D407 PolarHBondContact O-N 2.77Å; D405-E408 PolarHBondContact O-N 3.38Å
406	R	42.1	Very low	67.5	Low	181 Å²	181	120.9 Å²	120.9	68%	0.683	57%	0.568	S	S	*	*	G	3₁₀ helix	trans	-64.5	-1.5	177.4	-95	-178.5	174.2	178.9	-3.6	112.2	R404	R404-R406 PolarHBondContact O-N 2.79Å
407	D	34	Very low	65.7	Low	157 Å²	157	120.1 Å²	120.1	84%	0.84	56%	0.564	S	S	*	*	G	3₁₀ helix	trans	-87.5	0.8	-177.9	-63.5	-22.8	0	0	0	113.2	D405	D405-D407 PolarHBondContact O-N 2.77Å
408	E	30	Very low	63.5	Low	177 Å²	177	120.3 Å²	120.3	83%	0.827	55%	0.551	S	S	*	*	G	3₁₀ helix	trans	-109.4	14.4	176.5	-67.4	-165.8	163.1	0	0	115.2	D405	D405-E408 PolarHBondContact O-N 3.38Å
409	L	28.9	Very low	60.6	Low	236 Å²	236	124.8 Å²	124.8	100%	1.236	58%	0.577	S	S	*	*			trans	-122.1	0	174.5	-80.5	168	0	0	0	113.3

Retrieved 409 of 409 residues in 453.2 ms (Link to these results)

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