A0A077ZBG0_TRITR Loading...

Aconitate hydratase, mitochondrial

Catalyzes the isomerization of citrate to isocitrate via cis-aconitate.

AlphaFold DB , UniProt , Accession A0A077ZBG0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 787 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	33.7	Very low	32.1	Very low	254 Å²	254	146.5 Å²	146.5	100%	1.251	83%	0.829	S	S	*	*				0	129.1	0	-85.7	177.7	178.1	0	0	108.1
2	A	33.3	Very low	31.8	Very low	94 Å²	94	143.3 Å²	143.3	78%	0.777	82%	0.823	S	S	*	*			trans	-84.7	155	-164.2	0	0	0	0	0	114.1
3	L	34.6	Very low	31.4	Very low	185 Å²	185	150 Å²	150	97%	0.969	83%	0.826	S	S	*	*			trans	-178.9	129	148.6	-96.8	142.6	0	0	0	105.8
4	G	33	Very low	31.2	Very low	64 Å²	64	150.6 Å²	150.6	66%	0.66	83%	0.827	S	S	*	*			cis	174.8	130.2	1.3	0	0	0	0	0	105.5
5	C	32.8	Very low	30.9	Very low	119 Å²	119	149.2 Å²	149.2	80%	0.804	83%	0.83	S	S	*	*				71.4	124.8	92.2	-130.6	0	0	0	0	111.6
6	R	32.7	Very low	30.7	Very low	212 Å²	212	149.6 Å²	149.6	80%	0.8	83%	0.829	S	S	*	*				-174.6	135.6	58.1	-88.4	179.6	178.5	-158.5	0.1	111
7	L	29.7	Very low	30.5	Very low	132 Å²	132	149.1 Å²	149.1	69%	0.691	83%	0.831	S	S	*	*				74.3	120.5	113	-64.6	165.9	0	0	0	117.6
8	L	31.4	Very low	30.7	Very low	170 Å²	170	146.8 Å²	146.8	89%	0.89	83%	0.827	S	S	*	*				-173.3	143.6	100.1	-94.9	161.7	0	0	0	111.8
9	E	29.3	Very low	30.5	Very low	168 Å²	168	144.2 Å²	144.2	79%	0.785	83%	0.825	S	S	*	*			trans	-82.7	153	-176.9	-63.4	166.2	139.5	0	0	112.6
10	S	31.6	Very low	30.6	Very low	109 Å²	109	146.2 Å²	146.2	76%	0.762	82%	0.824	S	S	*	*				160.6	125.1	111.4	54.6	0	0	0	0	114.5
11	S	31.5	Very low	30.5	Very low	104 Å²	104	144.9 Å²	144.9	73%	0.727	82%	0.819	S	S	*	*			trans	28.1	111	141.5	44.2	0	0	0	0	123
12	S	27.9	Very low	30.4	Very low	108 Å²	108	139.3 Å²	139.3	76%	0.755	79%	0.794	S	S	*	*				50.1	122.8	120.2	65.4	0	0	0	0	122.8
13	R	27.3	Very low	30.2	Very low	231 Å²	231	143.6 Å²	143.6	87%	0.872	80%	0.796	S	S	*	*			trans	96	111.2	148	-73.8	-171.1	-174.6	-150.7	1.8	119.2
14	L	27.4	Very low	30.1	Very low	159 Å²	159	143 Å²	143	83%	0.832	79%	0.788	S	S	*	*			trans	66.4	104.4	152.3	-80.2	110.7	0	0	0	119.5
15	C	28	Very low	30	Very low	129 Å²	129	143.3 Å²	143.3	87%	0.872	78%	0.781	S	S	*	*				-160.7	152.6	120.3	-119.4	0	0	0	0	112.7
16	L	26.5	Very low	29.9	Very low	155 Å²	155	148.6 Å²	148.6	81%	0.812	78%	0.784	S	S	*	*			trans	-58.4	145.3	177.8	-66.7	126.1	0	0	0	112.7
17	T	28.5	Very low	29.9	Very low	141 Å²	141	146.5 Å²	146.5	87%	0.865	78%	0.781	S	S	*	*				178	151.5	118	36.1	0	0	0	0	113.2
18	S	32.6	Very low	30	Very low	108 Å²	108	145.9 Å²	145.9	76%	0.755	78%	0.782	S	S	*	*			trans	88.1	85.3	165.8	110.7	0	0	0	0	117.1	K20	S18-K20 PolarHBondContact O-N 3.26Å
19	A	27.5	Very low	29.9	Very low	97 Å²	97	144.8 Å²	144.8	80%	0.802	77%	0.772	S	S	*	*			trans	-61.2	107.5	154.5	0	0	0	0	0	109.6
20	K	31.9	Very low	30.2	Very low	184 Å²	184	142.2 Å²	142.2	80%	0.8	77%	0.77	S	S	*	*			trans	-90.1	102.5	151.4	-84.6	-174.3	174.9	-177.8	0	106.9	S18 D22	S18-K20 PolarHBondContact O-N 3.26Å; K20-D22 VanDerWaalsContact C-N 3.25Å; K20-D22 PolarHBondContact O-N 2.83Å
21	V	29.9	Very low	30.6	Very low	119 Å²	119	142.8 Å²	142.8	72%	0.721	77%	0.769	S	S	*	*			trans	-69.5	90.7	163.7	176.3	0	0	0	0	106	F23	V21-F23 VanDerWaalsContact C-N 3.33Å; V21-F23 HydrophobicContact CG1-CD2 4.28Å; V21-F23 PolarHBondContact O-N 3.11Å; V21-F23 VanDerWaalsContact O-N 3.11Å
22	D	30.9	Very low	31	Very low	137 Å²	137	141.4 Å²	141.4	73%	0.733	76%	0.764	S	S	*	*			trans	-72.9	99.5	160.8	-93.7	-20.5	0	0	0	106.9	K20 Q24	K20-D22 VanDerWaalsContact C-N 3.25Å; K20-D22 PolarHBondContact O-N 2.83Å; D22-Q24 PolarHBondContact O-N 3.04Å
23	F	29.1	Very low	31.8	Very low	185 Å²	185	140.8 Å²	140.8	81%	0.811	77%	0.765	S	S	*	*			trans	-69.2	67.1	166.1	-142.7	-89.9	0	0	0	107.8	V21 S25	V21-F23 VanDerWaalsContact C-N 3.33Å; V21-F23 HydrophobicContact CG1-CD2 4.28Å; V21-F23 PolarHBondContact O-N 3.11Å; V21-F23 VanDerWaalsContact O-N 3.11Å; F23-S25 PolarHBondContact O-N 2.74Å
24	Q	32.2	Very low	33.1	Very low	171 Å²	171	135.5 Å²	135.5	80%	0.799	75%	0.754	S	S	*	*			trans	-71.3	94.5	159.4	-82.5	-167	-13.3	0	0	106.1	D22 R26	D22-Q24 PolarHBondContact O-N 3.04Å; Q24-R26 VanDerWaalsContact C-N 3.32Å; Q24-R26 PolarHBondContact O-N 2.85Å
25	S	30.9	Very low	35.1	Very low	72 Å²	72	139 Å²	139	50%	0.503	76%	0.756	S	S	.	*			trans	-43.7	104.8	157.7	46.1	0	0	0	0	107.3	F23 F27	F23-S25 PolarHBondContact O-N 2.74Å; S25-F27 PolarHBondContact O-N 2.97Å
26	R	31.8	Very low	37.5	Very low	230 Å²	230	139.9 Å²	139.9	87%	0.868	75%	0.749	S	S	*	*			trans	-59.6	89.7	153	-76.7	-176.8	176.7	-175	-0.9	104.5	Q24 V28	Q24-R26 VanDerWaalsContact C-N 3.32Å; Q24-R26 PolarHBondContact O-N 2.85Å; R26-V28 PolarHBondContact O-N 3.4Å
27	F	31.2	Very low	40.1	Very low	168 Å²	168	133.1 Å²	133.1	74%	0.737	72%	0.715	S	S	*	*			trans	-56.4	88.4	147.2	-81.9	-84.4	0	0	0	104.6	S25 H29	S25-F27 PolarHBondContact O-N 2.97Å; F27-H29 PolarHBondContact O-N 3.27Å
28	V	32.2	Very low	42.8	Very low	119 Å²	119	132.2 Å²	132.2	72%	0.721	71%	0.712	S	S	*	*			trans	-58.2	89.5	150	179.9	0	0	0	0	102.6	R26 P30	R26-V28 PolarHBondContact O-N 3.4Å; V28-P30 WeakPolarHBondContact O-CD 3.47Å; V28-P30 VanDerWaalsContact O-N 3.16Å
29	H	29.3	Very low	45.8	Very low	146 Å²	146	128.2 Å²	128.2	68%	0.676	68%	0.683	S	S	*	*			trans	-47.7	126.1	155	-87.3	-57	0	0	0	104.4	F27 T31	F27-H29 PolarHBondContact O-N 3.27Å; H29-T31 PolarHBondContact O-N 2.65Å
30	P	36	Very low	49	Very low	115 Å²	115	125.5 Å²	125.5	75%	0.747	66%	0.657	S	S	*	*			trans	-64.2	90.2	161.7	28.9	-27.2	0	0	0	103	V28 A32	V28-P30 WeakPolarHBondContact O-CD 3.47Å; V28-P30 VanDerWaalsContact O-N 3.16Å; P30-A32 PolarHBondContact O-N 2.81Å
31	T	39.9	Very low	52.1	Low	121 Å²	121	117 Å²	117	74%	0.742	62%	0.62	S	S	*	*			trans	-51.3	100.6	148.7	40.4	0	0	0	0	102	H29 A33	H29-T31 PolarHBondContact O-N 2.65Å; T31-A33 PolarHBondContact O-N 2.77Å
32	A	40.9	Very low	55.2	Low	75 Å²	75	111.5 Å²	111.5	62%	0.62	59%	0.587	S	S	*	*			trans	-46.1	105.5	165.6	0	0	0	0	0	103.5	P30 L34	P30-A32 PolarHBondContact O-N 2.81Å; A32-L34 PolarHBondContact O-N 3.43Å
33	A	44	Very low	58.3	Low	95 Å²	95	110 Å²	110	79%	0.785	57%	0.571	S	S	*	*			trans	-64.3	90.5	175.2	0	0	0	0	0	103.3	T31 R35	T31-A33 PolarHBondContact O-N 2.77Å; A33-R35 VanDerWaalsContact C-N 3.3Å; A33-R35 PolarHBondContact O-N 3.07Å
34	L	54.5	Low	61.5	Low	119 Å²	119	102.4 Å²	102.4	62%	0.623	54%	0.538	S	S	*	.			trans	-63.7	97.7	-173.9	-89.1	148.3	0	0	0	105.7	A32 M36	A32-L34 PolarHBondContact O-N 3.43Å; L34-M36 PolarHBondContact O-N 3.14Å
35	R	69.6	Low	64.5	Low	234 Å²	234	95.2 Å²	95.2	88%	0.883	50%	0.504	S	S	*	.	P	Polyproline II helix	trans	-61.6	124.6	-169.1	-158.2	175.5	-174.7	-178.3	0.8	108.6	A33	A33-R35 VanDerWaalsContact C-N 3.3Å; A33-R35 PolarHBondContact O-N 3.07Å
36	M	78.3	Confident	67.5	Low	147 Å²	147	94.2 Å²	94.2	72%	0.724	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-63.2	145.7	172.7	-70.1	-175.3	172.3	0	0	109.9	L34	L34-M36 PolarHBondContact O-N 3.14Å
37	A	80.4	Confident	70.3	Confident	13 Å²	13	90.1 Å²	90.1	11%	0.107	48%	0.48	C	S	.	.	P	Polyproline II helix	trans	-63.4	140.1	172.5	0	0	0	0	0	110.2	V39 P40 P46 S49	A37-V39 VanDerWaalsContact C-N 3.27Å; A37-V39 PolarHBondContact O-N 3.18Å; A37-P40 HydrophobicContact CB-CB 4.25Å; A37-P46 PolarHBondContact N-O 3.45Å; A37-S49 WeakPolarHBondContact CB-OG 3.2Å
38	P	85.5	Confident	73.2	Confident	122 Å²	122	84.6 Å²	84.6	79%	0.792	46%	0.461	S	S	*	.	S	Bend	trans	-56.6	-40.8	176.4	-25.4	33.8	0	0	0	113.1
39	V	95.1	Very high	76.2	Confident	24 Å²	24	81.8 Å²	81.8	15%	0.145	45%	0.446	C	S	.	.	S	Bend	trans	-135.3	104.4	168.2	-171.7	0	0	0	0	107.5	A37 S49 L50 A321 I322 L325	A37-V39 VanDerWaalsContact C-N 3.27Å; A37-V39 PolarHBondContact O-N 3.18Å; V39-S49 WeakPolarHBondContact O-CA 3.24Å; V39-L50 HydrophobicContact CB-CD1 4.22Å; V39-L50 HydrophobicContact CG1-CD1 3.53Å; V39-L50 HydrophobicContact CG1-CG 4.27Å; V39-L50 PolarHBondContact O-N 3.26Å; V39-A321 HydrophobicContact CG1-CB 4.06Å; V39-I322 HydrophobicContact CG1-CG1 4.04Å; V39-L325 HydrophobicContact CB-CD2 4.22Å; V39-L325 HydrophobicContact CG1-CD2 4.48Å; V39-L325 HydrophobicContact CG2-CB 4.49Å; V39-L325 HydrophobicContact CG2-CD2 4.3Å
40	P	95.6	Very high	79.3	Confident	39 Å²	39	75.7 Å²	75.7	25%	0.253	42%	0.419	S	S	.	.	B	Isolated β-bridge	trans	-71.9	149.5	-178.6	30.1	-34.8	0	0	0	111.4	A37 S42 T48	A37-P40 HydrophobicContact CB-CB 4.25Å; P40-S42 PolarHBondContact O-N 2.75Å; P40-T48 CarbonylContact C-O 3.5Å; P40-T48 VanDerWaalsContact CA-O 3.29Å; P40-T48 WeakPolarHBondContact CA-O 3.48Å
41	M	96.2	Very high	82.2	Confident	6 Å²	6	71 Å²	71	3%	0.03	39%	0.388	C	S	.	.	S	Bend	trans	-56.7	-36.3	174.8	-82.4	177.8	42.8	0	0	112.5	T48 L50 D101 R102 P128 F190	M41-T48 HydrophobicContact CG-CG2 4.2Å; M41-T48 PolarHBondContact N-O 3.44Å; M41-T48 HydrophobicContact SD-CG2 3.35Å; M41-T48 WeakPolarHBondContact SD-CG2 3.43Å; M41-L50 HydrophobicContact CG-CD2 4.21Å; M41-D101 HydrophobicContact CE-CB 4.48Å; M41-R102 HydrophobicContact CE-CB 4.19Å; M41-P128 HydrophobicContact CE-CB 4Å; M41-P128 HydrophobicContact CE-CG 3.74Å; M41-P128 HydrophobicContact SD-CG 4.3Å; M41-F190 HydrophobicContact CG-CE1 4.24Å
42	S	96.8	Very high	84.9	Confident	4 Å²	4	65.3 Å²	65.3	3%	0.028	35%	0.353	C	S	.	.	S	Bend	trans	-154.8	170.5	172.6	88.4	0	0	0	0	110.9	P40 F44 E45 N187	P40-S42 PolarHBondContact O-N 2.75Å; S42-F44 PolarHBondContact O-N 3.01Å; S42-F44 PolarHBondContact OG-N 3.44Å; S42-E45 WeakPolarHBondContact CB-OE2 3.35Å; S42-E45 CarbonylContact O-C 3.5Å; S42-E45 PolarHBondContact O-N 2.97Å; S42-E45 PolarHBondContact OG-N 3.45Å; S42-E45 PolarHBondContact OG-OE2 3.42Å; S42-N187 WeakPolarHBondContact CB-O 3.47Å
43	R	95.1	Very high	87.5	Confident	104 Å²	104	67.4 Å²	67.4	39%	0.392	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-20.2	172.7	69	177.2	176.7	121.9	-7.8	113.8	E549	R43-E549 IonicContact NH1-OE2 3.02Å; R43-E549 PolarHBondContact NH1-OE2 3.2Å
44	F	96.2	Very high	90	Very high	26 Å²	26	68.9 Å²	68.9	11%	0.114	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-18.6	-177.5	-53.1	-75.9	0	0	0	112.5	S42 P46 W173 N187 Y188 Y551	S42-F44 PolarHBondContact O-N 3.01Å; S42-F44 PolarHBondContact OG-N 3.44Å; F44-P46 VanDerWaalsContact O-CD 3.27Å; F44-P46 WeakPolarHBondContact O-CD 3.3Å; F44-W173 HydrophobicContact CE1-CH2 4.45Å; F44-W173 HydrophobicContact CE1-CZ2 4.31Å; F44-W173 HydrophobicContact CE2-CH2 4.07Å; F44-W173 AromaticContact CE2-CZ2 3.56Å; F44-W173 HydrophobicContact CE2-CZ2 3.56Å; F44-W173 AromaticContact CZ-CH2 3.53Å; F44-W173 HydrophobicContact CZ-CH2 3.53Å; F44-W173 AromaticContact CZ-CZ2 3.39Å; F44-W173 HydrophobicContact CZ-CZ2 3.39Å; F44-N187 HydrophobicContact CE2-CB 3.97Å; F44-Y188 AromaticContact CD2-CE1 3.49Å; F44-Y188 HydrophobicContact CD2-CE1 3.49Å; F44-Y188 VanDerWaalsContact CD2-CE1 3.49Å; F44-Y188 AromaticContact CD2-CZ 3.68Å; F44-Y188 VanDerWaalsContact CD2-OH 3.31Å; F44-Y188 WeakPolarHBondContact CD2-OH 3.25Å; F44-Y188 HydrophobicContact CE2-CE1 4.08Å; F44-Y188 AromaticContact CE2-CZ 3.91Å; F44-Y188 HydrophobicContact CG-CE1 4.38Å; F44-Y551 HydrophobicContact CB-CE1 4.01Å; F44-Y551 AromaticContact CD1-CD1 3.31Å; F44-Y551 HydrophobicContact CD1-CD1 3.31Å; F44-Y551 HydrophobicContact CD1-CD2 4.23Å; F44-Y551 AromaticContact CD1-CE1 3.36Å; F44-Y551 HydrophobicContact CD1-CE1 3.36Å; F44-Y551 HydrophobicContact CD1-CE2 4.27Å; F44-Y551 AromaticContact CD1-CG 3.75Å; F44-Y551 HydrophobicContact CD1-CG 3.75Å; F44-Y551 AromaticContact CD1-CZ 3.85Å; F44-Y551 AromaticContact CE1-CD1 3.5Å; F44-Y551 HydrophobicContact CE1-CD1 3.5Å; F44-Y551 VanDerWaalsContact CE1-CD1 3.5Å; F44-Y551 HydrophobicContact CE1-CD2 4.15Å; F44-Y551 HydrophobicContact CE1-CE1 4.04Å; F44-Y551 AromaticContact CE1-CG 3.53Å; F44-Y551 HydrophobicContact CE1-CG 3.53Å; F44-Y551 HydrophobicContact CG-CD1 4.26Å; F44-Y551 AromaticContact CG-CE1 3.95Å; F44-Y551 HydrophobicContact CG-CE1 3.95Å; F44-Y551 HydrophobicContact CG-CE2 4.38Å; F44-Y551 AromaticContact CG-CZ 4Å; F44-Y551 HydrophobicContact CZ-CG 4.22Å
45	E	94.8	Very high	92.1	Very high	21 Å²	21	63.4 Å²	63.4	10%	0.098	31%	0.31	C	S	.	.			trans	-119	60.9	177.7	-61.9	92.8	-141.3	0	0	111.3	S42 R47 T48 R102 P128	S42-E45 WeakPolarHBondContact CB-OE2 3.35Å; S42-E45 CarbonylContact O-C 3.5Å; S42-E45 PolarHBondContact O-N 2.97Å; S42-E45 PolarHBondContact OG-N 3.45Å; S42-E45 PolarHBondContact OG-OE2 3.42Å; E45-R47 PolarHBondContact O-N 3.04Å; E45-T48 PolarHBondContact O-N 2.92Å; E45-R102 IonicContact OE2-CZ 2.77Å; E45-R102 IonicContact OE2-NH1 3.61Å; E45-R102 PolarHBondContact OE2-NH1 2.95Å; E45-P128 HydrophobicContact CG-CB 4.04Å; E45-P128 HydrophobicContact CG-CG 4.24Å
46	P	93.4	Very high	93.4	Very high	51 Å²	51	54.1 Å²	54.1	33%	0.331	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-8.7	-172.2	28.3	-37.3	0	0	0	114.5	A37 F44	A37-P46 PolarHBondContact N-O 3.45Å; F44-P46 VanDerWaalsContact O-CD 3.27Å; F44-P46 WeakPolarHBondContact O-CD 3.3Å
47	R	91	Very high	94.3	Very high	143 Å²	143	52.7 Å²	52.7	54%	0.54	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-10.2	-179.3	-67.3	-178.3	-81.3	178.5	-4.3	113.1	E45	E45-R47 PolarHBondContact O-N 3.04Å
48	T	93.4	Very high	95	Very high	53 Å²	53	54.2 Å²	54.2	33%	0.325	27%	0.272	S	S	.	.	S	Bend	trans	-102.8	110	-177.9	-47.1	0	0	0	0	109.2	P40 M41 E45 P128	P40-T48 CarbonylContact C-O 3.5Å; P40-T48 VanDerWaalsContact CA-O 3.29Å; P40-T48 WeakPolarHBondContact CA-O 3.48Å; M41-T48 HydrophobicContact CG-CG2 4.2Å; M41-T48 PolarHBondContact N-O 3.44Å; M41-T48 HydrophobicContact SD-CG2 3.35Å; M41-T48 WeakPolarHBondContact SD-CG2 3.43Å; E45-T48 PolarHBondContact O-N 2.92Å; T48-P128 HydrophobicContact CG2-CG 4.12Å
49	S	93.6	Very high	95.5	Very high	60 Å²	60	48.4 Å²	48.4	42%	0.42	23%	0.234	S	C	.	.	B	Isolated β-bridge	trans	-71.3	149.9	179.8	-59.7	0	0	0	0	112.2	A37 V39	A37-S49 WeakPolarHBondContact CB-OG 3.2Å; V39-S49 WeakPolarHBondContact O-CA 3.24Å
50	L	95.5	Very high	95.6	Very high	17 Å²	17	51.3 Å²	51.3	9%	0.089	25%	0.246	C	C	.	.			trans	-57.9	142.6	165.7	-79	175.8	0	0	0	111.8	V39 M41 H52 F190 I322 L325	V39-L50 HydrophobicContact CB-CD1 4.22Å; V39-L50 HydrophobicContact CG1-CD1 3.53Å; V39-L50 HydrophobicContact CG1-CG 4.27Å; V39-L50 PolarHBondContact O-N 3.26Å; M41-L50 HydrophobicContact CG-CD2 4.21Å; L50-H52 PolarHBondContact O-N 3.43Å; L50-F190 HydrophobicContact CD2-CD1 3.65Å; L50-F190 HydrophobicContact CD2-CD2 3.58Å; L50-F190 HydrophobicContact CD2-CE1 3.57Å; L50-F190 HydrophobicContact CD2-CE2 3.52Å; L50-F190 HydrophobicContact CD2-CG 3.66Å; L50-F190 HydrophobicContact CD2-CZ 3.52Å; L50-I322 HydrophobicContact CD1-CB 4.1Å; L50-I322 HydrophobicContact CD1-CD1 4.34Å; L50-I322 HydrophobicContact CD1-CG1 3.9Å; L50-I322 HydrophobicContact CD1-CG2 3.81Å; L50-L325 HydrophobicContact CB-CD2 3.76Å; L50-L325 HydrophobicContact CD1-CD2 3.61Å; L50-L325 HydrophobicContact CG-CD2 4.35Å
51	P	96.2	Very high	95.5	Very high	17 Å²	17	52.3 Å²	52.3	11%	0.11	25%	0.249	C	C	.	.			trans	-88.3	0.7	-169.6	36.6	-39	0	0	0	114.5	E53 K54 L55 F190	P51-E53 VanDerWaalsContact C-N 3.33Å; P51-E53 PolarHBondContact O-N 3.01Å; P51-E53 VanDerWaalsContact O-N 3.13Å; P51-K54 WeakPolarHBondContact O-CA 3.19Å; P51-K54 WeakPolarHBondContact O-CB 3.4Å; P51-K54 PolarHBondContact O-N 3.2Å; P51-L55 HydrophobicContact CB-CD1 4.11Å; P51-L55 HydrophobicContact CB-CG 4.01Å; P51-L55 HydrophobicContact CG-CD1 3.75Å; P51-L55 HydrophobicContact CG-CG 4.23Å; P51-L55 WeakPolarHBondContact O-CG 3.33Å; P51-L55 PolarHBondContact O-N 3.25Å; P51-F190 HydrophobicContact CG-CE2 4.24Å; P51-F190 HydrophobicContact CG-CZ 4.31Å
52	H	97.2	Very high	95.4	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-51.4	-43	-167.7	-66	82.8	0	0	0	115.3	L50 L55 M56 F190 P191 Y329	L50-H52 PolarHBondContact O-N 3.43Å; H52-L55 PolarHBondContact O-N 3.47Å; H52-M56 WeakPolarHBondContact O-CB 3.11Å; H52-M56 PolarHBondContact O-N 3.22Å; H52-F190 AromaticContact CE1-CD2 3.89Å; H52-P191 PolarHBondContact CE1-O 3.32Å; H52-P191 PolarHBondContact NE2-O 3.34Å; H52-Y329 HydrophobicContact CB-CD2 3.48Å; H52-Y329 VanDerWaalsContact CB-CD2 3.48Å; H52-Y329 HydrophobicContact CB-CE2 3.79Å; H52-Y329 HydrophobicContact CB-CG 3.87Å
53	E	96.1	Very high	95.2	Very high	120 Å²	120	54.6 Å²	54.6	56%	0.561	26%	0.257	S	S	*	.	H	α-helix	trans	-62.4	-48.5	178.2	-173.6	178.8	-178.4	0	0	111.2	P51 L55 M56 Q57 Y329	P51-E53 VanDerWaalsContact C-N 3.33Å; P51-E53 PolarHBondContact O-N 3.01Å; P51-E53 VanDerWaalsContact O-N 3.13Å; E53-L55 VanDerWaalsContact C-N 3.34Å; E53-L55 PolarHBondContact O-N 3.1Å; E53-M56 PolarHBondContact O-N 2.74Å; E53-Q57 WeakPolarHBondContact O-CG 3.3Å; E53-Q57 PolarHBondContact O-N 2.68Å; E53-Q57 VanDerWaalsContact O-N 3.08Å; E53-Y329 WeakPolarHBondContact CB-OH 3.27Å
54	K	96.4	Very high	95.1	Very high	125 Å²	125	55.7 Å²	55.7	54%	0.543	27%	0.266	S	S	.	.	H	α-helix	trans	-59.9	-45	175.8	178.3	-174.7	175.2	-171.4	0	110.7	P51 M56 Q57 R58	P51-K54 WeakPolarHBondContact O-CA 3.19Å; P51-K54 WeakPolarHBondContact O-CB 3.4Å; P51-K54 PolarHBondContact O-N 3.2Å; K54-M56 PolarHBondContact O-N 2.77Å; K54-Q57 PolarHBondContact O-N 3.41Å; K54-R58 WeakPolarHBondContact O-CG 3.49Å; K54-R58 PolarHBondContact O-N 3.1Å
55	L	97.6	Very high	94.8	Very high	5 Å²	5	58.7 Å²	58.7	3%	0.026	28%	0.279	C	S	.	.	H	α-helix	trans	-63.2	-41.9	179.7	-65.6	179.1	0	0	0	111.9	P51 H52 E53 R58 L59 A79 H80 L332	P51-L55 HydrophobicContact CB-CD1 4.11Å; P51-L55 HydrophobicContact CB-CG 4.01Å; P51-L55 HydrophobicContact CG-CD1 3.75Å; P51-L55 HydrophobicContact CG-CG 4.23Å; P51-L55 WeakPolarHBondContact O-CG 3.33Å; P51-L55 PolarHBondContact O-N 3.25Å; H52-L55 PolarHBondContact O-N 3.47Å; E53-L55 VanDerWaalsContact C-N 3.34Å; E53-L55 PolarHBondContact O-N 3.1Å; L55-R58 PolarHBondContact O-N 3.16Å; L55-L59 VanDerWaalsContact O-CB 3.31Å; L55-L59 WeakPolarHBondContact O-CB 3.15Å; L55-L59 PolarHBondContact O-N 3.39Å; L55-A79 HydrophobicContact CB-CB 3.97Å; L55-A79 HydrophobicContact CD2-CB 3.87Å; L55-A79 HydrophobicContact CG-CB 4.45Å; L55-H80 WeakPolarHBondContact CD1-CE1 3.39Å; L55-H80 VanDerWaalsContact CD2-CE1 3.41Å; L55-H80 WeakPolarHBondContact CD2-CE1 3.33Å; L55-H80 WeakPolarHBondContact CD2-NE2 3.47Å; L55-L332 HydrophobicContact CB-CD2 3.75Å; L55-L332 HydrophobicContact CD1-CD2 4.28Å
56	M	96.8	Very high	94.5	Very high	38 Å²	38	59.6 Å²	59.6	19%	0.187	29%	0.287	C	S	.	.	H	α-helix	trans	-62.9	-43.8	176	-86.1	-59.1	-69	0	0	112.9	H52 E53 K54 R58 L59 E60 Y329 L332	H52-M56 WeakPolarHBondContact O-CB 3.11Å; H52-M56 PolarHBondContact O-N 3.22Å; E53-M56 PolarHBondContact O-N 2.74Å; K54-M56 PolarHBondContact O-N 2.77Å; M56-R58 VanDerWaalsContact C-N 3.31Å; M56-R58 PolarHBondContact O-N 3.24Å; M56-L59 PolarHBondContact O-N 2.92Å; M56-L59 HydrophobicContact SD-CD2 4.39Å; M56-E60 PolarHBondContact O-N 2.79Å; M56-Y329 HydrophobicContact CB-CD1 4.44Å; M56-Y329 HydrophobicContact CB-CE1 4.42Å; M56-Y329 HydrophobicContact CG-CD1 3.55Å; M56-Y329 HydrophobicContact CG-CE1 4Å; M56-Y329 HydrophobicContact CG-CG 4.49Å; M56-L332 HydrophobicContact CG-CB 4.17Å; M56-L332 HydrophobicContact CG-CD2 4.14Å; M56-L332 HydrophobicContact SD-CB 3.53Å; M56-L332 VanDerWaalsContact SD-CB 3.53Å; M56-L332 HydrophobicContact SD-CD1 4.08Å; M56-L332 HydrophobicContact SD-CD2 4.41Å; M56-L332 HydrophobicContact SD-CG 4.2Å
57	Q	96.7	Very high	94.3	Very high	117 Å²	117	65.9 Å²	65.9	55%	0.547	31%	0.308	S	S	.	.	H	α-helix	trans	-60.8	-42.7	176.9	-70	170.2	1.7	0	0	111.3	E53 K54 E60 I61	E53-Q57 WeakPolarHBondContact O-CG 3.3Å; E53-Q57 PolarHBondContact O-N 2.68Å; E53-Q57 VanDerWaalsContact O-N 3.08Å; K54-Q57 PolarHBondContact O-N 3.41Å; Q57-E60 PolarHBondContact O-N 2.9Å; Q57-I61 PolarHBondContact O-N 3.37Å
58	R	96.8	Very high	94.5	Very high	46 Å²	46	63.2 Å²	63.2	17%	0.174	30%	0.298	C	S	.	.	H	α-helix	trans	-68	-41.3	177.9	-66.9	172.9	73.8	74.8	5.2	112.3	K54 L55 M56 E60 I61 I62 A79 V81 D82 P84	K54-R58 WeakPolarHBondContact O-CG 3.49Å; K54-R58 PolarHBondContact O-N 3.1Å; L55-R58 PolarHBondContact O-N 3.16Å; M56-R58 VanDerWaalsContact C-N 3.31Å; M56-R58 PolarHBondContact O-N 3.24Å; R58-E60 PolarHBondContact O-N 3.22Å; R58-I61 WeakPolarHBondContact O-CB 3.18Å; R58-I61 PolarHBondContact O-N 3.36Å; R58-I62 PolarHBondContact O-N 3.41Å; R58-A79 WeakPolarHBondContact CD-O 3.18Å; R58-A79 PolarHBondContact NE-O 3.04Å; R58-V81 PolarHBondContact NH2-O 3.39Å; R58-D82 PolarHBondContact NH2-O 2.94Å; R58-P84 HydrophobicContact CB-CB 4.5Å
59	L	95.8	Very high	94.6	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-60.4	-37.1	176.5	-175.6	62.8	0	0	0	111.7	L55 M56 I62 R63 M70 K75 A79 L332	L55-L59 VanDerWaalsContact O-CB 3.31Å; L55-L59 WeakPolarHBondContact O-CB 3.15Å; L55-L59 PolarHBondContact O-N 3.39Å; M56-L59 PolarHBondContact O-N 2.92Å; M56-L59 HydrophobicContact SD-CD2 4.39Å; L59-I62 PolarHBondContact O-N 3.31Å; L59-R63 HydrophobicContact CG-CG 4.47Å; L59-R63 WeakPolarHBondContact O-CG 3.39Å; L59-R63 PolarHBondContact O-N 3.24Å; L59-M70 HydrophobicContact CD1-CE 3.46Å; L59-M70 VanDerWaalsContact CD1-CE 3.46Å; L59-M70 HydrophobicContact CD1-SD 4.17Å; L59-M70 HydrophobicContact CG-CE 4.18Å; L59-K75 HydrophobicContact CD1-CB 4.2Å; L59-K75 HydrophobicContact CD1-CG 4.2Å; L59-K75 HydrophobicContact CD2-CB 4.03Å; L59-K75 HydrophobicContact CD2-CD 4.28Å; L59-K75 HydrophobicContact CD2-CG 3.95Å; L59-A79 HydrophobicContact CB-CB 4.32Å; L59-L332 HydrophobicContact CD2-CD1 3.6Å
60	E	95.4	Very high	94.8	Very high	84 Å²	84	60.4 Å²	60.4	39%	0.393	28%	0.28	S	S	.	.	H	α-helix	trans	-65.1	-39.2	179.1	-168.8	55.4	-149.1	0	0	112.5	M56 Q57 R58 I62 R63 Q64	M56-E60 PolarHBondContact O-N 2.79Å; Q57-E60 PolarHBondContact O-N 2.9Å; R58-E60 PolarHBondContact O-N 3.22Å; E60-I62 VanDerWaalsContact C-N 3.27Å; E60-I62 PolarHBondContact O-N 3.22Å; E60-R63 PolarHBondContact O-N 2.74Å; E60-R63 IonicContact OE2-NH1 2.96Å; E60-Q64 WeakPolarHBondContact O-CG 3.38Å; E60-Q64 PolarHBondContact O-N 2.97Å
61	I	95.4	Very high	95	Very high	60 Å²	60	59.6 Å²	59.6	31%	0.308	28%	0.276	S	S	.	.	H	α-helix	trans	-58	-44.8	172.6	-62.9	168.2	0	0	0	110.1	Q57 R58 Q64 P84	Q57-I61 PolarHBondContact O-N 3.37Å; R58-I61 WeakPolarHBondContact O-CB 3.18Å; R58-I61 PolarHBondContact O-N 3.36Å; I61-Q64 PolarHBondContact O-N 3.26Å; I61-P84 HydrophobicContact CB-CB 4.38Å; I61-P84 HydrophobicContact CD1-CB 4.4Å; I61-P84 HydrophobicContact CD1-CG 4.05Å; I61-P84 HydrophobicContact CG2-CB 4.19Å
62	I	93.8	Very high	95.1	Very high	6 Å²	6	58.9 Å²	58.9	3%	0.031	27%	0.271	C	S	.	.	H	α-helix	trans	-69.8	-40.9	-178	-64.2	172.4	0	0	0	111.1	R58 L59 E60 Q64 K65 T66 M70 Y78 V81 P84	R58-I62 PolarHBondContact O-N 3.41Å; L59-I62 PolarHBondContact O-N 3.31Å; E60-I62 VanDerWaalsContact C-N 3.27Å; E60-I62 PolarHBondContact O-N 3.22Å; I62-Q64 VanDerWaalsContact C-N 3.28Å; I62-Q64 PolarHBondContact O-N 3.19Å; I62-K65 PolarHBondContact O-N 3.49Å; I62-T66 HydrophobicContact CG2-CG2 3.87Å; I62-T66 PolarHBondContact O-N 2.75Å; I62-T66 PolarHBondContact O-OG1 3.03Å; I62-M70 HydrophobicContact CG2-SD 4.5Å; I62-Y78 VanDerWaalsContact CD1-C 3.44Å; I62-Y78 WeakPolarHBondContact CD1-O 2.75Å; I62-Y78 HydrophobicContact CG2-CD2 4.31Å; I62-V81 HydrophobicContact CD1-CG2 4.02Å; I62-P84 HydrophobicContact CD1-CB 4.32Å; I62-P84 HydrophobicContact CG1-CB 4.22Å; I62-P84 WeakPolarHBondContact CG1-O 3.32Å
63	R	92.8	Very high	95.2	Very high	52 Å²	52	58.8 Å²	58.8	20%	0.196	27%	0.27	C	S	.	.	H	α-helix	trans	-55.1	-43.1	175.5	-82.4	179.2	169.3	151	-2.6	112.4	L59 E60 K65 K67 M70 D336	L59-R63 HydrophobicContact CG-CG 4.47Å; L59-R63 WeakPolarHBondContact O-CG 3.39Å; L59-R63 PolarHBondContact O-N 3.24Å; E60-R63 PolarHBondContact O-N 2.74Å; E60-R63 IonicContact OE2-NH1 2.96Å; R63-K65 PolarHBondContact O-N 3.02Å; R63-K67 PolarHBondContact O-N 2.71Å; R63-M70 HydrophobicContact CB-CE 4.47Å; R63-M70 HydrophobicContact CG-CE 3.29Å; R63-D336 IonicContact NH2-OD1 3.66Å; R63-D336 PolarHBondContact NH2-OD1 3.05Å; R63-D336 IonicContact NH2-OD2 3.26Å
64	Q	92.5	Very high	95.3	Very high	127 Å²	127	53.1 Å²	53.1	59%	0.593	24%	0.244	S	C	*	.	H	α-helix	trans	-61.7	-30.6	179.1	-70	173.2	8	0	0	112.4	E60 I61 I62 K67	E60-Q64 WeakPolarHBondContact O-CG 3.38Å; E60-Q64 PolarHBondContact O-N 2.97Å; I61-Q64 PolarHBondContact O-N 3.26Å; I62-Q64 VanDerWaalsContact C-N 3.28Å; I62-Q64 PolarHBondContact O-N 3.19Å; Q64-K67 VanDerWaalsContact O-CE 3.32Å; Q64-K67 WeakPolarHBondContact O-CE 3.39Å; Q64-K67 WeakPolarHBondContact O-CG 3.24Å
65	K	89.4	Confident	95.4	Very high	89 Å²	89	47.2 Å²	47.2	39%	0.387	22%	0.218	S	C	.	.	H	α-helix	trans	-84.1	-48.7	177.6	-68.1	-171.1	166.5	-138.7	0	112.9	I62 R63 N85 D87	I62-K65 PolarHBondContact O-N 3.49Å; R63-K65 PolarHBondContact O-N 3.02Å; K65-N85 PolarHBondContact NZ-O 3.04Å; K65-D87 IonicContact NZ-OD1 3.98Å; K65-D87 PolarHBondContact NZ-OD1 3.46Å
66	T	88.1	Confident	95.4	Very high	41 Å²	41	47 Å²	47	25%	0.252	22%	0.217	S	C	.	.	H	α-helix	trans	-74.9	-30.7	-173.3	57.2	0	0	0	0	113.3	I62 R68	I62-T66 HydrophobicContact CG2-CG2 3.87Å; I62-T66 PolarHBondContact O-N 2.75Å; I62-T66 PolarHBondContact O-OG1 3.03Å; T66-R68 PolarHBondContact O-N 2.54Å; T66-R68 VanDerWaalsContact O-N 3.09Å
67	K	89.7	Confident	95.5	Very high	182 Å²	182	45.4 Å²	45.4	79%	0.791	21%	0.209	S	C	*	.			trans	49.8	34.3	176.1	-60.7	-177.2	178.8	177.5	0	114.7	R63 Q64	R63-K67 PolarHBondContact O-N 2.71Å; Q64-K67 VanDerWaalsContact O-CE 3.32Å; Q64-K67 WeakPolarHBondContact O-CE 3.39Å; Q64-K67 WeakPolarHBondContact O-CG 3.24Å
68	R	94.5	Very high	95.5	Very high	87 Å²	87	39.9 Å²	39.9	33%	0.328	18%	0.183	S	C	.	.	S	Bend	trans	-142	158.4	174.7	65.1	168.5	177.7	79.6	-2.2	111.7	T66 E74	T66-R68 PolarHBondContact O-N 2.54Å; T66-R68 VanDerWaalsContact O-N 3.09Å; R68-E74 IonicContact CZ-OE1 3.84Å; R68-E74 IonicContact CZ-OE2 2.77Å; R68-E74 IonicContact NH1-OE1 2.67Å; R68-E74 PolarHBondContact NH1-OE1 2.91Å; R68-E74 IonicContact NH1-OE2 3.4Å; R68-E74 PolarHBondContact NH1-OE2 3.49Å; R68-E74 IonicContact NH2-OE1 3.46Å; R68-E74 PolarHBondContact NH2-OE1 2.8Å; R68-E74 IonicContact NH2-OE2 3.37Å
69	P	97.2	Very high	95.5	Very high	55 Å²	55	37.7 Å²	37.7	36%	0.357	18%	0.175	S	C	.	.			trans	-56	141.6	168.8	-24.5	35.7	0	0	0	111.6	D336 A339	P69-D336 HydrophobicContact CB-CB 3.86Å; P69-A339 HydrophobicContact CB-CB 4.4Å
70	M	97.7	Very high	95.6	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.177	C	C	.	.			trans	-114.7	141.6	177.4	-71.2	-178	-71.5	0	0	111.5	L59 I62 R63 E74 K75 Y78 D336 A339	L59-M70 HydrophobicContact CD1-CE 3.46Å; L59-M70 VanDerWaalsContact CD1-CE 3.46Å; L59-M70 HydrophobicContact CD1-SD 4.17Å; L59-M70 HydrophobicContact CG-CE 4.18Å; I62-M70 HydrophobicContact CG2-SD 4.5Å; R63-M70 HydrophobicContact CB-CE 4.47Å; R63-M70 HydrophobicContact CG-CE 3.29Å; M70-E74 HydrophobicContact CB-CB 4.01Å; M70-E74 HydrophobicContact CG-CB 4.35Å; M70-K75 HydrophobicContact CB-CG 3.88Å; M70-K75 HydrophobicContact CE-CG 4.43Å; M70-Y78 HydrophobicContact SD-CD2 3.76Å; M70-Y78 HydrophobicContact SD-CE2 4.27Å; M70-D336 PolarHBondContact N-OD2 2.83Å; M70-D336 PolarHBondContact O-N 2.95Å; M70-A339 WeakPolarHBondContact O-CB 3.42Å
71	T	98.7	Very high	95.7	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.158	C	C	.	.			trans	-65.6	164.7	168.4	63.2	0	0	0	0	110.2	A73 E74 K75 I236 E273 A339 E340 Y341	T71-A73 VanDerWaalsContact C-N 3.32Å; T71-A73 PolarHBondContact O-N 3.42Å; T71-E74 PolarHBondContact N-OE2 3.37Å; T71-E74 PolarHBondContact O-N 2.76Å; T71-E74 WeakPolarHBondContact OG1-CB 3.17Å; T71-E74 WeakPolarHBondContact OG1-CG 3.37Å; T71-E74 PolarHBondContact OG1-N 2.74Å; T71-E74 PolarHBondContact OG1-OE2 3.32Å; T71-K75 WeakPolarHBondContact O-CG 3.22Å; T71-K75 PolarHBondContact O-N 3.11Å; T71-I236 HydrophobicContact CG2-CB 4.36Å; T71-I236 HydrophobicContact CG2-CG1 4.42Å; T71-I236 HydrophobicContact CG2-CG2 4.06Å; T71-E273 WeakPolarHBondContact CB-OE2 3.47Å; T71-A339 HydrophobicContact CG2-CB 3.95Å; T71-E340 WeakPolarHBondContact CG2-O 3.42Å; T71-Y341 HydrophobicContact CG2-CD1 3.78Å; T71-Y341 HydrophobicContact CG2-CE1 3.66Å
72	L	98.8	Very high	95.8	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-59.2	-46.3	175.8	171.6	62.6	0	0	0	111.4	E74 K75 I76 E273 V303 P305	L72-E74 VanDerWaalsContact C-N 3.28Å; L72-E74 PolarHBondContact O-N 2.98Å; L72-K75 PolarHBondContact O-N 3.49Å; L72-K75 VanDerWaalsContact O-N 3.13Å; L72-I76 HydrophobicContact CD1-CD1 3.75Å; L72-I76 HydrophobicContact CD1-CG1 4.05Å; L72-I76 HydrophobicContact CG-CD1 3.98Å; L72-I76 WeakPolarHBondContact O-CG1 3.5Å; L72-I76 PolarHBondContact O-N 2.8Å; L72-E273 HydrophobicContact CB-CG 4.43Å; L72-E273 WeakPolarHBondContact CB-OE1 3.43Å; L72-E273 WeakPolarHBondContact CB-OE2 3.24Å; L72-E273 VanDerWaalsContact N-CD 3.32Å; L72-E273 PolarHBondContact N-OE1 3.06Å; L72-E273 PolarHBondContact N-OE2 2.81Å; L72-V303 HydrophobicContact CD2-CG1 4.2Å; L72-V303 HydrophobicContact CD2-CG2 3.83Å; L72-V303 HydrophobicContact CG-CG2 4.48Å; L72-P305 VanDerWaalsContact CD2-CA 3.46Å; L72-P305 HydrophobicContact CD2-CB 4Å
73	A	98.7	Very high	95.9	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-57.9	-43.3	179.4	0	0	0	0	0	111	T71 L77 L211 I236 I271 E273 V303	T71-A73 VanDerWaalsContact C-N 3.32Å; T71-A73 PolarHBondContact O-N 3.42Å; A73-L77 WeakPolarHBondContact O-CB 3.41Å; A73-L77 PolarHBondContact O-N 2.97Å; A73-L211 HydrophobicContact CB-CD2 4.34Å; A73-L211 WeakPolarHBondContact O-CD1 3.41Å; A73-I236 HydrophobicContact CB-CD1 3.81Å; A73-I236 HydrophobicContact CB-CG2 4.48Å; A73-I271 HydrophobicContact CB-CB 4.22Å; A73-I271 HydrophobicContact CB-CD1 4.12Å; A73-I271 HydrophobicContact CB-CG2 3.66Å; A73-E273 WeakPolarHBondContact CB-OE2 3.2Å; A73-E273 PolarHBondContact N-OE2 3.37Å; A73-V303 HydrophobicContact CB-CG1 4.39Å
74	E	98.2	Very high	95.8	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-62.4	-45.4	174.2	-75.9	-173.9	131.4	0	0	112.7	R68 M70 T71 L72 I76 L77 Y78 R91 I236	R68-E74 IonicContact CZ-OE1 3.84Å; R68-E74 IonicContact CZ-OE2 2.77Å; R68-E74 IonicContact NH1-OE1 2.67Å; R68-E74 PolarHBondContact NH1-OE1 2.91Å; R68-E74 IonicContact NH1-OE2 3.4Å; R68-E74 PolarHBondContact NH1-OE2 3.49Å; R68-E74 IonicContact NH2-OE1 3.46Å; R68-E74 PolarHBondContact NH2-OE1 2.8Å; R68-E74 IonicContact NH2-OE2 3.37Å; M70-E74 HydrophobicContact CB-CB 4.01Å; M70-E74 HydrophobicContact CG-CB 4.35Å; T71-E74 PolarHBondContact N-OE2 3.37Å; T71-E74 PolarHBondContact O-N 2.76Å; T71-E74 WeakPolarHBondContact OG1-CB 3.17Å; T71-E74 WeakPolarHBondContact OG1-CG 3.37Å; T71-E74 PolarHBondContact OG1-N 2.74Å; T71-E74 PolarHBondContact OG1-OE2 3.32Å; L72-E74 VanDerWaalsContact C-N 3.28Å; L72-E74 PolarHBondContact O-N 2.98Å; E74-I76 VanDerWaalsContact C-N 3.35Å; E74-I76 PolarHBondContact O-N 3.21Å; E74-L77 PolarHBondContact O-N 3.36Å; E74-Y78 HydrophobicContact CB-CD2 3.87Å; E74-Y78 HydrophobicContact CB-CE2 3.52Å; E74-Y78 HydrophobicContact CG-CD2 4.4Å; E74-Y78 HydrophobicContact CG-CE1 4.43Å; E74-Y78 HydrophobicContact CG-CE2 3.58Å; E74-Y78 WeakPolarHBondContact CG-OH 3.47Å; E74-Y78 WeakPolarHBondContact O-CB 3.4Å; E74-Y78 WeakPolarHBondContact O-CD2 3.44Å; E74-Y78 PolarHBondContact O-N 3.23Å; E74-Y78 WeakPolarHBondContact OE1-CE2 3.29Å; E74-Y78 PolarHBondContact OE1-OH 3.19Å; E74-R91 IonicContact OE1-CZ 3.79Å; E74-R91 IonicContact OE1-NE 3.13Å; E74-R91 PolarHBondContact OE1-NE 3.47Å; E74-R91 IonicContact OE1-NH2 3.56Å; E74-R91 PolarHBondContact OE1-NH2 2.9Å; E74-R91 VanDerWaalsContact OE1-NH2 3.07Å; E74-R91 IonicContact OE2-CZ 3.91Å; E74-R91 IonicContact OE2-NE 3.89Å; E74-R91 IonicContact OE2-NH2 2.76Å; E74-R91 PolarHBondContact OE2-NH2 3.27Å; E74-I236 HydrophobicContact CG-CD1 4.37Å; E74-I236 HydrophobicContact CG-CG1 4.24Å
75	K	98.4	Very high	95.7	Very high	1 Å²	1	33.5 Å²	33.5	0%	0.004	16%	0.164	C	C	.	.	H	α-helix	trans	-58.3	-48.1	179.6	-71.5	176.5	180	-173.3	0	111.9	L59 M70 T71 L72 A79 S331 S334 D336	L59-K75 HydrophobicContact CD1-CB 4.2Å; L59-K75 HydrophobicContact CD1-CG 4.2Å; L59-K75 HydrophobicContact CD2-CB 4.03Å; L59-K75 HydrophobicContact CD2-CD 4.28Å; L59-K75 HydrophobicContact CD2-CG 3.95Å; M70-K75 HydrophobicContact CB-CG 3.88Å; M70-K75 HydrophobicContact CE-CG 4.43Å; T71-K75 WeakPolarHBondContact O-CG 3.22Å; T71-K75 PolarHBondContact O-N 3.11Å; L72-K75 PolarHBondContact O-N 3.49Å; L72-K75 VanDerWaalsContact O-N 3.13Å; K75-A79 WeakPolarHBondContact O-CB 3.48Å; K75-A79 PolarHBondContact O-N 2.81Å; K75-A79 VanDerWaalsContact O-N 3.07Å; K75-S331 PolarHBondContact NZ-O 2.71Å; K75-S334 VanDerWaalsContact CD-O 3.26Å; K75-S334 WeakPolarHBondContact CD-O 3.48Å; K75-S334 WeakPolarHBondContact CE-O 3.48Å; K75-S334 PolarHBondContact NZ-O 2.87Å; K75-D336 WeakPolarHBondContact CE-OD1 3.5Å; K75-D336 WeakPolarHBondContact CE-OD2 3.25Å; K75-D336 IonicContact NZ-OD1 3.47Å; K75-D336 PolarHBondContact NZ-OD1 2.95Å; K75-D336 IonicContact NZ-OD2 2.66Å
76	I	98.6	Very high	95.5	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-65.5	-52.2	179.1	-59.9	172.8	0	0	0	109.2	L72 E74 Y78 A79 H80 G209 L211	L72-I76 HydrophobicContact CD1-CD1 3.75Å; L72-I76 HydrophobicContact CD1-CG1 4.05Å; L72-I76 HydrophobicContact CG-CD1 3.98Å; L72-I76 WeakPolarHBondContact O-CG1 3.5Å; L72-I76 PolarHBondContact O-N 2.8Å; E74-I76 VanDerWaalsContact C-N 3.35Å; E74-I76 PolarHBondContact O-N 3.21Å; I76-Y78 PolarHBondContact O-N 3.41Å; I76-A79 PolarHBondContact O-N 2.83Å; I76-H80 PolarHBondContact O-N 3.05Å; I76-H80 PolarHBondContact O-ND1 2.98Å; I76-G209 WeakPolarHBondContact CD1-O 3.46Å; I76-L211 HydrophobicContact CB-CD1 3.75Å; I76-L211 HydrophobicContact CB-CG 3.9Å; I76-L211 HydrophobicContact CD1-CG 4.16Å; I76-L211 HydrophobicContact CG2-CB 4.12Å; I76-L211 HydrophobicContact CG2-CD1 3.76Å; I76-L211 HydrophobicContact CG2-CG 3.71Å
77	L	97.5	Very high	95.2	Very high	3 Å²	3	36 Å²	36	2%	0.016	18%	0.18	C	C	.	.	H	α-helix	trans	-62	-46.5	-174.9	-167	65.1	0	0	0	112	A73 E74 H80 V81 L96 L98 L211 L231 P234	A73-L77 WeakPolarHBondContact O-CB 3.41Å; A73-L77 PolarHBondContact O-N 2.97Å; E74-L77 PolarHBondContact O-N 3.36Å; L77-H80 PolarHBondContact O-N 3.48Å; L77-H80 VanDerWaalsContact O-N 3.16Å; L77-V81 PolarHBondContact O-N 3.13Å; L77-L96 HydrophobicContact CD2-CD1 3.51Å; L77-L96 HydrophobicContact CG-CD1 3.74Å; L77-L98 HydrophobicContact CD1-CD1 3.54Å; L77-L98 HydrophobicContact CD1-CD2 3.86Å; L77-L98 HydrophobicContact CD1-CG 4.39Å; L77-L98 HydrophobicContact CG-CD1 4.47Å; L77-L98 HydrophobicContact CG-CD2 4.16Å; L77-L98 WeakPolarHBondContact O-CD2 3.4Å; L77-L211 HydrophobicContact CB-CD1 3.88Å; L77-L211 HydrophobicContact CD1-CD1 4.28Å; L77-L231 HydrophobicContact CD1-CD2 4.04Å; L77-P234 HydrophobicContact CD2-CG 4.38Å
78	Y	97.3	Very high	94.9	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.008	18%	0.179	C	C	.	.	H	α-helix	trans	-71.4	-36.4	-176.8	-59.7	-14.9	0	0	0	111.6	I62 M70 E74 I76 H80 V81 I89 L96	I62-Y78 VanDerWaalsContact CD1-C 3.44Å; I62-Y78 WeakPolarHBondContact CD1-O 2.75Å; I62-Y78 HydrophobicContact CG2-CD2 4.31Å; M70-Y78 HydrophobicContact SD-CD2 3.76Å; M70-Y78 HydrophobicContact SD-CE2 4.27Å; E74-Y78 HydrophobicContact CB-CD2 3.87Å; E74-Y78 HydrophobicContact CB-CE2 3.52Å; E74-Y78 HydrophobicContact CG-CD2 4.4Å; E74-Y78 HydrophobicContact CG-CE1 4.43Å; E74-Y78 HydrophobicContact CG-CE2 3.58Å; E74-Y78 WeakPolarHBondContact CG-OH 3.47Å; E74-Y78 WeakPolarHBondContact O-CB 3.4Å; E74-Y78 WeakPolarHBondContact O-CD2 3.44Å; E74-Y78 PolarHBondContact O-N 3.23Å; E74-Y78 WeakPolarHBondContact OE1-CE2 3.29Å; E74-Y78 PolarHBondContact OE1-OH 3.19Å; I76-Y78 PolarHBondContact O-N 3.41Å; Y78-H80 PolarHBondContact O-N 3.27Å; Y78-H80 VanDerWaalsContact O-N 3.11Å; Y78-V81 WeakPolarHBondContact O-CG2 3.39Å; Y78-V81 PolarHBondContact O-N 3.07Å; Y78-I89 HydrophobicContact CD1-CD1 4.01Å; Y78-I89 HydrophobicContact CD1-CG2 4.45Å; Y78-I89 HydrophobicContact CD2-CD1 4.47Å; Y78-I89 HydrophobicContact CE1-CD1 4.25Å; Y78-I89 HydrophobicContact CE1-CG2 3.65Å; Y78-I89 HydrophobicContact CG-CD1 4.15Å; Y78-L96 HydrophobicContact CD1-CD1 4.27Å; Y78-L96 HydrophobicContact CE1-CD1 4.16Å
79	A	97.5	Very high	94.8	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-60.5	-23.1	173.1	0	0	0	0	0	113.2	L55 R58 L59 K75 I76	L55-A79 HydrophobicContact CB-CB 3.97Å; L55-A79 HydrophobicContact CD2-CB 3.87Å; L55-A79 HydrophobicContact CG-CB 4.45Å; R58-A79 WeakPolarHBondContact CD-O 3.18Å; R58-A79 PolarHBondContact NE-O 3.04Å; L59-A79 HydrophobicContact CB-CB 4.32Å; K75-A79 WeakPolarHBondContact O-CB 3.48Å; K75-A79 PolarHBondContact O-N 2.81Å; K75-A79 VanDerWaalsContact O-N 3.07Å; I76-A79 PolarHBondContact O-N 2.83Å
80	H	98.3	Very high	94.7	Very high	6 Å²	6	33.3 Å²	33.3	3%	0.028	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98	4.5	179.8	-71	90.3	0	0	0	115.5	L55 I76 L77 Y78 L98 R99 D101 G192 L194	L55-H80 WeakPolarHBondContact CD1-CE1 3.39Å; L55-H80 VanDerWaalsContact CD2-CE1 3.41Å; L55-H80 WeakPolarHBondContact CD2-CE1 3.33Å; L55-H80 WeakPolarHBondContact CD2-NE2 3.47Å; I76-H80 PolarHBondContact O-N 3.05Å; I76-H80 PolarHBondContact O-ND1 2.98Å; L77-H80 PolarHBondContact O-N 3.48Å; L77-H80 VanDerWaalsContact O-N 3.16Å; Y78-H80 PolarHBondContact O-N 3.27Å; Y78-H80 VanDerWaalsContact O-N 3.11Å; H80-L98 HydrophobicContact CB-CD2 4.45Å; H80-L98 CarbonylContact O-C 3.45Å; H80-L98 VanDerWaalsContact O-CA 3.32Å; H80-L98 WeakPolarHBondContact O-CA 3.31Å; H80-R99 PolarHBondContact CD2-O 3.37Å; H80-R99 PolarHBondContact O-N 3.14Å; H80-D101 IonicContact CD2-OD1 2.75Å; H80-D101 IonicContact CD2-OD2 3.99Å; H80-D101 IonicContact CE1-OD2 2.72Å; H80-D101 IonicContact NE2-OD1 3.73Å; H80-D101 PolarHBondContact NE2-OD1 3.47Å; H80-D101 IonicContact NE2-OD2 3.75Å; H80-D101 PolarHBondContact NE2-OD2 3.38Å; H80-G192 PolarHBondContact CE1-O 3.49Å; H80-G192 VanDerWaalsContact CE1-O 3.28Å; H80-L194 HydrophobicContact CB-CB 4.39Å; H80-L194 HydrophobicContact CB-CD2 3.49Å; H80-L194 VanDerWaalsContact CB-CD2 3.49Å
81	V	97.7	Very high	94.6	Very high	1 Å²	1	35 Å²	35	1%	0.006	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-55.1	156.5	169.9	-61.9	0	0	0	0	110.2	R58 I62 L77 Y78 D83 P84 L86 L96 L97 L98	R58-V81 PolarHBondContact NH2-O 3.39Å; I62-V81 HydrophobicContact CD1-CG2 4.02Å; L77-V81 PolarHBondContact O-N 3.13Å; Y78-V81 WeakPolarHBondContact O-CG2 3.39Å; Y78-V81 PolarHBondContact O-N 3.07Å; V81-D83 WeakPolarHBondContact CG2-O 3.47Å; V81-P84 HydrophobicContact CG2-CB 4.36Å; V81-L86 HydrophobicContact CB-CD1 3.87Å; V81-L86 HydrophobicContact CG1-CD1 3.98Å; V81-L86 HydrophobicContact CG2-CD1 4.23Å; V81-L96 HydrophobicContact CG1-CD2 4.41Å; V81-L97 CarbonylContact C-O 3.46Å; V81-L97 VanDerWaalsContact CA-O 3.24Å; V81-L97 WeakPolarHBondContact CA-O 3.39Å; V81-L98 HydrophobicContact CG1-CD2 4.11Å
82	D	96.8	Very high	94.5	Very high	61 Å²	61	36.3 Å²	36.3	33%	0.326	19%	0.194	S	C	.	.	S	Bend	trans	-70.2	-50.1	176.8	-169.3	43.3	0	0	0	110.4	R58 L97 R99 P228	R58-D82 PolarHBondContact NH2-O 2.94Å; D82-L97 HydrophobicContact CB-CB 4.19Å; D82-L97 PolarHBondContact N-O 3.21Å; D82-R99 HydrophobicContact CB-CG 4.34Å; D82-R99 IonicContact OD1-CZ 3.19Å; D82-R99 IonicContact OD1-NE 2.7Å; D82-R99 PolarHBondContact OD1-NE 2.9Å; D82-R99 IonicContact OD1-NH2 3.33Å; D82-R99 PolarHBondContact OD1-NH2 2.92Å; D82-R99 VanDerWaalsContact OD1-NH2 3.12Å; D82-R99 IonicContact OD2-NH2 3.34Å; D82-P228 HydrophobicContact CB-CB 4.34Å; D82-P228 HydrophobicContact CB-CG 4.44Å
83	D	94.9	Very high	94.2	Very high	75 Å²	75	39.9 Å²	39.9	40%	0.401	22%	0.22	S	C	.	.			trans	-107.3	113.2	173.4	-178	8.8	0	0	0	111.4	V81 N85 L86	V81-D83 WeakPolarHBondContact CG2-O 3.47Å; D83-N85 PolarHBondContact O-N 3.46Å; D83-N85 VanDerWaalsContact OD1-CB 3.3Å; D83-N85 WeakPolarHBondContact OD1-CB 3.48Å; D83-N85 PolarHBondContact OD1-N 3.25Å; D83-N85 PolarHBondContact OD1-ND2 3.42Å; D83-L86 WeakPolarHBondContact O-CD1 3.31Å; D83-L86 VanDerWaalsContact O-CG 3.24Å; D83-L86 WeakPolarHBondContact O-CG 3.5Å; D83-L86 PolarHBondContact O-N 3.47Å
84	P	92.3	Very high	93.9	Very high	14 Å²	14	41.8 Å²	41.8	9%	0.091	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-6.4	178.8	33.2	-33.2	0	0	0	112.9	R58 I61 I62 V81 L86	R58-P84 HydrophobicContact CB-CB 4.5Å; I61-P84 HydrophobicContact CB-CB 4.38Å; I61-P84 HydrophobicContact CD1-CB 4.4Å; I61-P84 HydrophobicContact CD1-CG 4.05Å; I61-P84 HydrophobicContact CG2-CB 4.19Å; I62-P84 HydrophobicContact CD1-CB 4.32Å; I62-P84 HydrophobicContact CG1-CB 4.22Å; I62-P84 WeakPolarHBondContact CG1-O 3.32Å; V81-P84 HydrophobicContact CG2-CB 4.36Å; P84-L86 VanDerWaalsContact C-N 3.29Å
85	N	90.3	Very high	93.7	Very high	83 Å²	83	44.4 Å²	44.4	44%	0.444	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89	11.8	177.1	-57.1	-75.8	0	0	0	113.3	K65 D83 D87	K65-N85 PolarHBondContact NZ-O 3.04Å; D83-N85 PolarHBondContact O-N 3.46Å; D83-N85 VanDerWaalsContact OD1-CB 3.3Å; D83-N85 WeakPolarHBondContact OD1-CB 3.48Å; D83-N85 PolarHBondContact OD1-N 3.25Å; D83-N85 PolarHBondContact OD1-ND2 3.42Å; N85-D87 PolarHBondContact O-N 2.94Å
86	L	85.5	Confident	93.6	Very high	66 Å²	66	44.3 Å²	44.3	35%	0.346	24%	0.241	S	C	.	.			trans	-51.6	127.9	173.3	-75.1	161.5	0	0	0	111.2	V81 D83 P84	V81-L86 HydrophobicContact CB-CD1 3.87Å; V81-L86 HydrophobicContact CG1-CD1 3.98Å; V81-L86 HydrophobicContact CG2-CD1 4.23Å; D83-L86 WeakPolarHBondContact O-CD1 3.31Å; D83-L86 VanDerWaalsContact O-CG 3.24Å; D83-L86 WeakPolarHBondContact O-CG 3.5Å; D83-L86 PolarHBondContact O-N 3.47Å; P84-L86 VanDerWaalsContact C-N 3.29Å
87	D	80.9	Confident	93.5	Very high	116 Å²	116	47.8 Å²	47.8	62%	0.62	26%	0.259	S	S	*	.	S	Bend	trans	-86.5	137.5	172	-67.1	-35.3	0	0	0	109.2	K65 N85	K65-D87 IonicContact NZ-OD1 3.98Å; K65-D87 PolarHBondContact NZ-OD1 3.46Å; N85-D87 PolarHBondContact O-N 2.94Å
88	H	83.8	Confident	93.5	Very high	164 Å²	164	47.7 Å²	47.7	76%	0.759	26%	0.258	S	S	*	.			trans	54.1	77.6	170.4	-58.4	75.8	0	0	0	115.2
89	I	92.6	Very high	93.6	Very high	28 Å²	28	52 Å²	52	14%	0.144	28%	0.275	C	S	.	.			trans	-79.2	119	167.9	-60.1	172	0	0	0	109.7	Y78 L96	Y78-I89 HydrophobicContact CD1-CD1 4.01Å; Y78-I89 HydrophobicContact CD1-CG2 4.45Å; Y78-I89 HydrophobicContact CD2-CD1 4.47Å; Y78-I89 HydrophobicContact CE1-CD1 4.25Å; Y78-I89 HydrophobicContact CE1-CG2 3.65Å; Y78-I89 HydrophobicContact CG-CD1 4.15Å; I89-L96 HydrophobicContact CD1-CD2 4.4Å; I89-L96 HydrophobicContact CG1-CD2 4.3Å; I89-L96 HydrophobicContact CG2-CD2 3.96Å
90	V	94.1	Very high	93.6	Very high	77 Å²	77	52.3 Å²	52.3	47%	0.467	28%	0.277	S	S	.	.			trans	-116	116.2	-179.8	-175.6	0	0	0	0	110.1	G92 S93 T94	V90-G92 PolarHBondContact O-N 2.61Å; V90-S93 PolarHBondContact O-N 3.07Å; V90-T94 PolarHBondContact N-OG1 3.46Å; V90-T94 PolarHBondContact O-N 3.34Å; V90-T94 PolarHBondContact O-OG1 2.99Å
91	R	96.6	Very high	93.7	Very high	36 Å²	36	53.2 Å²	53.2	14%	0.136	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	136.2	174.9	-62.6	-174.1	-173.2	170.7	3.5	110.5	E74 S93 K235 E340 D342	E74-R91 IonicContact OE1-CZ 3.79Å; E74-R91 IonicContact OE1-NE 3.13Å; E74-R91 PolarHBondContact OE1-NE 3.47Å; E74-R91 IonicContact OE1-NH2 3.56Å; E74-R91 PolarHBondContact OE1-NH2 2.9Å; E74-R91 VanDerWaalsContact OE1-NH2 3.07Å; E74-R91 IonicContact OE2-CZ 3.91Å; E74-R91 IonicContact OE2-NE 3.89Å; E74-R91 IonicContact OE2-NH2 2.76Å; E74-R91 PolarHBondContact OE2-NH2 3.27Å; R91-S93 VanDerWaalsContact C-N 3.25Å; R91-S93 PolarHBondContact O-N 2.88Å; R91-K235 HydrophobicContact CB-CG 4.25Å; R91-E340 PolarHBondContact NH1-O 3.2Å; R91-E340 PolarHBondContact NH2-O 3.28Å; R91-D342 WeakPolarHBondContact CD-OD2 3.15Å; R91-D342 IonicContact CZ-OD2 2.79Å; R91-D342 IonicContact NE-OD2 3.77Å; R91-D342 IonicContact NH1-OD1 3.96Å; R91-D342 IonicContact NH1-OD2 2.73Å; R91-D342 PolarHBondContact NH1-OD2 3.23Å
92	G	95.3	Very high	93.7	Very high	26 Å²	26	53.2 Å²	53.2	27%	0.268	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.5	3.3	-179.8	0	0	0	0	0	115.7	V90 K232 C233	V90-G92 PolarHBondContact O-N 2.61Å; G92-K232 VanDerWaalsContact C-CE 3.48Å; G92-K232 WeakPolarHBondContact O-CE 3.42Å; G92-K232 PolarHBondContact O-NZ 3.39Å; G92-C233 WeakPolarHBondContact CA-O 3.37Å; G92-C233 PolarHBondContact N-O 3.03Å
93	S	93	Very high	93.8	Very high	77 Å²	77	50.3 Å²	50.3	54%	0.538	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.5	-60.8	-176.8	-172.5	0	0	0	0	113	V90 R91 Y95	V90-S93 PolarHBondContact O-N 3.07Å; R91-S93 VanDerWaalsContact C-N 3.25Å; R91-S93 PolarHBondContact O-N 2.88Å; S93-Y95 PolarHBondContact O-N 3.48Å
94	T	92.7	Very high	94	Very high	39 Å²	39	46.7 Å²	46.7	24%	0.239	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-63.4	135.8	-174.7	-52.3	0	0	0	0	110.9	V90 L96 C233	V90-T94 PolarHBondContact N-OG1 3.46Å; V90-T94 PolarHBondContact O-N 3.34Å; V90-T94 PolarHBondContact O-OG1 2.99Å; T94-L96 HydrophobicContact CG2-CD2 4.29Å; T94-C233 WeakPolarHBondContact O-CB 3.36Å; T94-C233 PolarHBondContact O-N 2.57Å
95	Y	93.6	Very high	94.3	Very high	56 Å²	56	46 Å²	46	22%	0.22	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	119.8	165.6	-79.7	-83.5	0	0	0	109.8	S93 E230 K232 K707 T764 N766	S93-Y95 PolarHBondContact O-N 3.48Å; Y95-E230 WeakPolarHBondContact CB-OE1 3.08Å; Y95-E230 HydrophobicContact CD1-CG 3.75Å; Y95-E230 WeakPolarHBondContact CD1-OE1 3.45Å; Y95-E230 HydrophobicContact CG-CG 4.2Å; Y95-K232 HydrophobicContact CD1-CB 3.89Å; Y95-K232 HydrophobicContact CE1-CB 3.66Å; Y95-K232 HydrophobicContact CE1-CG 4.41Å; Y95-K707 PolarHBondContact OH-NZ 3.22Å; Y95-T764 WeakPolarHBondContact CE2-O 3.26Å; Y95-T764 PolarHBondContact OH-O 2.9Å; Y95-T764 PolarHBondContact OH-OG1 3.03Å; Y95-N766 HydrophobicContact CD2-CB 4.15Å; Y95-N766 HydrophobicContact CE2-CB 4.33Å
96	L	95.8	Very high	94.7	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	129.3	176.8	-56.7	178.6	0	0	0	109.2	L77 Y78 V81 I89 T94 L98 E230 L231 C233	L77-L96 HydrophobicContact CD2-CD1 3.51Å; L77-L96 HydrophobicContact CG-CD1 3.74Å; Y78-L96 HydrophobicContact CD1-CD1 4.27Å; Y78-L96 HydrophobicContact CE1-CD1 4.16Å; V81-L96 HydrophobicContact CG1-CD2 4.41Å; I89-L96 HydrophobicContact CD1-CD2 4.4Å; I89-L96 HydrophobicContact CG1-CD2 4.3Å; I89-L96 HydrophobicContact CG2-CD2 3.96Å; T94-L96 HydrophobicContact CG2-CD2 4.29Å; L96-L98 HydrophobicContact CB-CD1 4.36Å; L96-L98 HydrophobicContact CB-CD2 4.02Å; L96-L98 HydrophobicContact CB-CG 3.96Å; L96-L98 HydrophobicContact CD1-CD2 4.37Å; L96-E230 CarbonylContact O-C 3.59Å; L96-E230 WeakPolarHBondContact O-CA 3.47Å; L96-L231 PolarHBondContact N-O 3.46Å; L96-L231 PolarHBondContact O-N 3.38Å; L96-C233 HydrophobicContact CD1-CB 4.08Å; L96-C233 HydrophobicContact CD2-CB 4.41Å; L96-C233 HydrophobicContact CG-CB 3.97Å
97	L	97	Very high	95.3	Very high	74 Å²	74	39.3 Å²	39.3	39%	0.387	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	120.2	162.8	-62.1	-179.4	0	0	0	107.6	V81 D82 P228 E230	V81-L97 CarbonylContact C-O 3.46Å; V81-L97 VanDerWaalsContact CA-O 3.24Å; V81-L97 WeakPolarHBondContact CA-O 3.39Å; D82-L97 HydrophobicContact CB-CB 4.19Å; D82-L97 PolarHBondContact N-O 3.21Å; L97-P228 HydrophobicContact CB-CB 3.86Å; L97-P228 HydrophobicContact CD2-CB 4.34Å; L97-E230 HydrophobicContact CD2-CB 4.17Å; L97-E230 HydrophobicContact CD2-CG 4.14Å
98	L	98.4	Very high	96.1	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	157.8	-170.1	-62.7	166.8	0	0	0	111.2	L77 H80 V81 L96 P100 L194 P228 W229 L231	L77-L98 HydrophobicContact CD1-CD1 3.54Å; L77-L98 HydrophobicContact CD1-CD2 3.86Å; L77-L98 HydrophobicContact CD1-CG 4.39Å; L77-L98 HydrophobicContact CG-CD1 4.47Å; L77-L98 HydrophobicContact CG-CD2 4.16Å; L77-L98 WeakPolarHBondContact O-CD2 3.4Å; H80-L98 HydrophobicContact CB-CD2 4.45Å; H80-L98 CarbonylContact O-C 3.45Å; H80-L98 VanDerWaalsContact O-CA 3.32Å; H80-L98 WeakPolarHBondContact O-CA 3.31Å; V81-L98 HydrophobicContact CG1-CD2 4.11Å; L96-L98 HydrophobicContact CB-CD1 4.36Å; L96-L98 HydrophobicContact CB-CD2 4.02Å; L96-L98 HydrophobicContact CB-CG 3.96Å; L96-L98 HydrophobicContact CD1-CD2 4.37Å; L98-P100 WeakPolarHBondContact O-CD 3.31Å; L98-L194 HydrophobicContact CB-CD2 4.16Å; L98-P228 WeakPolarHBondContact O-CA 3.44Å; L98-W229 HydrophobicContact CB-CE3 4.1Å; L98-W229 WeakPolarHBondContact CB-O 3.42Å; L98-W229 HydrophobicContact CD1-CE3 3.75Å; L98-W229 HydrophobicContact CD1-CZ3 3.65Å; L98-W229 PolarHBondContact N-O 3.46Å; L98-W229 PolarHBondContact O-N 2.92Å; L98-L231 HydrophobicContact CD1-CB 3.64Å; L98-L231 HydrophobicContact CD1-CD2 3.98Å; L98-L231 HydrophobicContact CD1-CG 4.46Å
99	R	98.4	Very high	96.8	Very high	94 Å²	94	26.4 Å²	26.4	36%	0.355	14%	0.144	S	C	.	.			trans	-120.2	86.6	174.3	-67.5	-63.3	-170.1	168.7	-0.5	110.3	H80 D82 G226	H80-R99 PolarHBondContact CD2-O 3.37Å; H80-R99 PolarHBondContact O-N 3.14Å; D82-R99 HydrophobicContact CB-CG 4.34Å; D82-R99 IonicContact OD1-CZ 3.19Å; D82-R99 IonicContact OD1-NE 2.7Å; D82-R99 PolarHBondContact OD1-NE 2.9Å; D82-R99 IonicContact OD1-NH2 3.33Å; D82-R99 PolarHBondContact OD1-NH2 2.92Å; D82-R99 VanDerWaalsContact OD1-NH2 3.12Å; D82-R99 IonicContact OD2-NH2 3.34Å; R99-G226 VanDerWaalsContact NH1-C 3.32Å; R99-G226 PolarHBondContact NH1-O 2.79Å
100	P	98.8	Very high	97.1	Very high	6 Å²	6	25.1 Å²	25.1	4%	0.039	14%	0.137	C	C	.	.			trans	-58.8	143.6	173.1	-25.8	38	0	0	0	111.9	L98 R102 L194 I196 V223 W229	L98-P100 WeakPolarHBondContact O-CD 3.31Å; P100-R102 VanDerWaalsContact C-N 3.33Å; P100-L194 CarbonylContact C-O 3.6Å; P100-L194 HydrophobicContact CB-CD2 4.32Å; P100-L194 HydrophobicContact CB-CG 4.1Å; P100-L194 HydrophobicContact CG-CD2 4.07Å; P100-L194 HydrophobicContact CG-CG 4.25Å; P100-I196 HydrophobicContact CB-CG1 4.25Å; P100-I196 HydrophobicContact CB-CG2 4.29Å; P100-I196 HydrophobicContact CG-CG1 4.32Å; P100-I196 HydrophobicContact CG-CG2 3.91Å; P100-V223 HydrophobicContact CB-CG1 4.12Å; P100-V223 HydrophobicContact CG-CG1 4.3Å; P100-V223 HydrophobicContact CG-CG2 3.89Å; P100-W229 HydrophobicContact CG-CB 4.23Å; P100-W229 HydrophobicContact CG-CD2 4.44Å; P100-W229 HydrophobicContact CG-CE3 3.82Å
101	D	98.7	Very high	97.3	Very high	25 Å²	25	21.4 Å²	21.4	13%	0.134	12%	0.115	C	C	.	.	S	Bend	trans	-73.6	-28.5	179.9	-61.2	-58.3	0	0	0	112	M41 H80 L193 L194	M41-D101 HydrophobicContact CE-CB 4.48Å; H80-D101 IonicContact CD2-OD1 2.75Å; H80-D101 IonicContact CD2-OD2 3.99Å; H80-D101 IonicContact CE1-OD2 2.72Å; H80-D101 IonicContact NE2-OD1 3.73Å; H80-D101 PolarHBondContact NE2-OD1 3.47Å; H80-D101 IonicContact NE2-OD2 3.75Å; H80-D101 PolarHBondContact NE2-OD2 3.38Å; D101-L193 HydrophobicContact CB-CD1 3.74Å; D101-L194 PolarHBondContact N-O 2.91Å; D101-L194 PolarHBondContact OD2-N 3.27Å
102	R	98.7	Very high	97.3	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	161.4	-178.8	69.9	-177.1	-65.8	132	8.1	113.9	M41 E45 P100 P128 Y188 L193 L195 I196	M41-R102 HydrophobicContact CE-CB 4.19Å; E45-R102 IonicContact OE2-CZ 2.77Å; E45-R102 IonicContact OE2-NH1 3.61Å; E45-R102 PolarHBondContact OE2-NH1 2.95Å; P100-R102 VanDerWaalsContact C-N 3.33Å; R102-P128 VanDerWaalsContact CA-O 3.24Å; R102-P128 WeakPolarHBondContact CA-O 3.43Å; R102-P128 HydrophobicContact CB-CB 4.15Å; R102-P128 WeakPolarHBondContact CB-O 3.44Å; R102-Y188 VanDerWaalsContact CZ-CG 3.48Å; R102-Y188 VanDerWaalsContact NH2-CE1 3.34Å; R102-L193 HydrophobicContact CG-CD1 4.08Å; R102-L195 HydrophobicContact CG-CB 4.1Å; R102-L195 HydrophobicContact CG-CD1 3.63Å; R102-L195 HydrophobicContact CG-CG 3.81Å; R102-I196 PolarHBondContact O-N 3.2Å
103	V	98.9	Very high	97.5	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	142.2	174.3	178.2	0	0	0	0	110.1	M105 V127 P128 T129 T130 I196 A220 V223 M224	V103-M105 HydrophobicContact CG1-CG 4.11Å; V103-V127 HydrophobicContact CG2-CG2 3.86Å; V103-P128 PolarHBondContact N-O 2.97Å; V103-T129 HydrophobicContact CB-CG2 4.01Å; V103-T129 HydrophobicContact CG1-CG2 4.08Å; V103-T129 VanDerWaalsContact O-CA 3.3Å; V103-T129 WeakPolarHBondContact O-CA 3.27Å; V103-T130 PolarHBondContact O-N 3.46Å; V103-T130 VanDerWaalsContact O-N 3.1Å; V103-I196 WeakPolarHBondContact CA-O 3.06Å; V103-I196 HydrophobicContact CG2-CD1 4.13Å; V103-I196 HydrophobicContact CG2-CG1 3.94Å; V103-A220 HydrophobicContact CG1-CB 3.81Å; V103-V223 HydrophobicContact CG2-CB 3.82Å; V103-V223 HydrophobicContact CG2-CG1 3.65Å; V103-M224 HydrophobicContact CB-CG 4.38Å; V103-M224 HydrophobicContact CG1-CG 4.29Å; V103-M224 HydrophobicContact CG2-CG 4.18Å
104	A	98.9	Very high	97.7	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	139.9	168.5	0	0	0	0	0	111.1	T130 I180 I184 I196 G197 T198	A104-T130 CarbonylContact C-O 3.56Å; A104-I180 HydrophobicContact CB-CD1 3.99Å; A104-I180 HydrophobicContact CB-CG1 4.45Å; A104-I184 HydrophobicContact CB-CD1 3.61Å; A104-I184 HydrophobicContact CB-CG1 4.32Å; A104-I196 PolarHBondContact N-O 3.37Å; A104-G197 CarbonylContact O-C 3.35Å; A104-G197 WeakPolarHBondContact O-CA 3.41Å; A104-T198 PolarHBondContact O-N 3.39Å
105	M	98.8	Very high	97.9	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	144.9	-179.2	-57.5	-179	-74.7	0	0	110.6	V103 A110 A113 V114 T129 T130 I131 H132 I170 T198 M224	V103-M105 HydrophobicContact CG1-CG 4.11Å; M105-A110 HydrophobicContact CB-CB 3.76Å; M105-A113 HydrophobicContact SD-CB 3.57Å; M105-A113 VanDerWaalsContact SD-CB 3.57Å; M105-V114 HydrophobicContact CE-CG2 4.35Å; M105-T129 HydrophobicContact CE-CG2 3.68Å; M105-T130 PolarHBondContact N-O 3.21Å; M105-I131 HydrophobicContact CB-CG1 4.34Å; M105-I131 HydrophobicContact CE-CD1 4.13Å; M105-I131 HydrophobicContact CE-CG1 3.73Å; M105-I131 CarbonylContact O-C 3.2Å; M105-I131 VanDerWaalsContact O-CA 3.27Å; M105-I131 WeakPolarHBondContact O-CA 3.36Å; M105-H132 PolarHBondContact O-CD2 2.94Å; M105-H132 PolarHBondContact O-N 3.31Å; M105-I170 HydrophobicContact CE-CD1 4.34Å; M105-T198 VanDerWaalsContact CA-OG1 3.25Å; M105-T198 WeakPolarHBondContact CA-OG1 3.38Å; M105-T198 WeakPolarHBondContact CB-OG1 3.36Å; M105-T198 HydrophobicContact CG-CG2 3.88Å; M105-M224 HydrophobicContact CE-CE 4.26Å; M105-M224 HydrophobicContact CE-SD 3.69Å; M105-M224 HydrophobicContact SD-CE 4.02Å; M105-M224 HydrophobicContact SD-SD 4.13Å
106	Q	98.4	Very high	98	Very high	8 Å²	8	10.5 Å²	10.5	4%	0.037	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	151.2	173.3	50.7	81.6	-13.6	0	0	110.1	A108 T109 A110 H132 D134 H135 I180 D199	Q106-A108 VanDerWaalsContact C-N 3.26Å; Q106-A108 PolarHBondContact O-N 3.26Å; Q106-A108 VanDerWaalsContact O-N 3.1Å; Q106-A108 VanDerWaalsContact OE1-CA 3.24Å; Q106-T109 PolarHBondContact NE2-OG1 2.81Å; Q106-T109 CarbonylContact O-C 3.52Å; Q106-T109 PolarHBondContact O-N 2.68Å; Q106-T109 PolarHBondContact O-OG1 3.13Å; Q106-A110 WeakPolarHBondContact O-CB 3.49Å; Q106-A110 PolarHBondContact O-N 3.03Å; Q106-H132 CarbonylContact C-O 3.56Å; Q106-H132 WeakPolarHBondContact CA-O 3.15Å; Q106-D134 WeakPolarHBondContact CB-OD1 3.45Å; Q106-H135 VanDerWaalsContact CG-CE1 3.45Å; Q106-H135 WeakPolarHBondContact CG-CE1 3.42Å; Q106-H135 PolarHBondContact NE2-NE2 3.13Å; Q106-H135 PolarHBondContact OE1-ND1 2.87Å; Q106-I180 HydrophobicContact CB-CB 4.34Å; Q106-I180 HydrophobicContact CB-CD1 4.02Å; Q106-I180 HydrophobicContact CB-CG2 4.2Å; Q106-I180 HydrophobicContact CG-CD1 4.45Å; Q106-D199 HydrophobicContact CG-CB 4.12Å; Q106-D199 PolarHBondContact NE2-OD2 3.49Å
107	D	98.5	Very high	97.9	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-58.3	-25.2	-167.4	60.3	-13.4	0	0	0	115.9	Q111 H132 C133 D134 H135 L136 L161	D107-Q111 WeakPolarHBondContact O-CG 3.3Å; D107-Q111 PolarHBondContact O-NE2 3.19Å; D107-H132 PolarHBondContact N-O 3.18Å; D107-C133 HydrophobicContact CB-CB 4.41Å; D107-C133 WeakPolarHBondContact OD2-CA 3.4Å; D107-D134 PolarHBondContact OD1-N 2.87Å; D107-D134 PolarHBondContact OD2-N 2.77Å; D107-H135 WeakPolarHBondContact OD1-CA 3.4Å; D107-H135 WeakPolarHBondContact OD1-CB 3.15Å; D107-H135 IonicContact OD1-CG 3.58Å; D107-H135 PolarHBondContact OD1-N 3.36Å; D107-H135 IonicContact OD1-ND1 2.74Å; D107-L136 HydrophobicContact CB-CD1 4.42Å; D107-L136 WeakPolarHBondContact OD2-CB 3.24Å; D107-L136 WeakPolarHBondContact OD2-CG 3.41Å; D107-L136 PolarHBondContact OD2-N 3.3Å; D107-L161 HydrophobicContact CB-CD1 3.63Å
108	A	97.3	Very high	97.7	Very high	3 Å²	3	8.9 Å²	8.9	3%	0.025	4%	0.04	C	C	.	.	H	α-helix	trans	-76.1	-26.2	172.8	0	0	0	0	0	113.9	Q106 H135 L611 R614	Q106-A108 VanDerWaalsContact C-N 3.26Å; Q106-A108 PolarHBondContact O-N 3.26Å; Q106-A108 VanDerWaalsContact O-N 3.1Å; Q106-A108 VanDerWaalsContact OE1-CA 3.24Å; A108-H135 HydrophobicContact CB-CB 3.64Å; A108-L611 HydrophobicContact CB-CD2 4.01Å; A108-R614 HydrophobicContact CB-CG 4.26Å; A108-R614 VanDerWaalsContact O-CB 3.25Å; A108-R614 WeakPolarHBondContact O-CB 3.5Å; A108-R614 WeakPolarHBondContact O-CD 3.44Å; A108-R614 WeakPolarHBondContact O-CG 3.25Å
109	T	97.8	Very high	97.2	Very high	6 Å²	6	11.5 Å²	11.5	4%	0.037	6%	0.059	C	C	.	.	H	α-helix	trans	-105	-27.1	175.8	52.3	0	0	0	0	113.2	Q106 Q111 M112 A113 T198	Q106-T109 PolarHBondContact NE2-OG1 2.81Å; Q106-T109 CarbonylContact O-C 3.52Å; Q106-T109 PolarHBondContact O-N 2.68Å; Q106-T109 PolarHBondContact O-OG1 3.13Å; T109-Q111 PolarHBondContact O-N 3.2Å; T109-M112 PolarHBondContact O-N 2.91Å; T109-A113 PolarHBondContact O-N 3.08Å; T109-A113 VanDerWaalsContact O-N 3.12Å; T109-T198 WeakPolarHBondContact CB-O 3.38Å; T109-T198 WeakPolarHBondContact CG2-O 3.17Å; T109-T198 WeakPolarHBondContact OG1-CB 3.48Å; T109-T198 PolarHBondContact OG1-O 2.86Å; T109-T198 PolarHBondContact OG1-OG1 2.86Å
110	A	98.5	Very high	96.5	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-58.9	-35.6	176.8	0	0	0	0	0	111.8	M105 Q106 M112 A113 V114 I131 L161	M105-A110 HydrophobicContact CB-CB 3.76Å; Q106-A110 WeakPolarHBondContact O-CB 3.49Å; Q106-A110 PolarHBondContact O-N 3.03Å; A110-M112 VanDerWaalsContact C-N 3.34Å; A110-M112 PolarHBondContact O-N 3.24Å; A110-A113 PolarHBondContact O-N 3.31Å; A110-V114 VanDerWaalsContact O-CB 3.24Å; A110-V114 WeakPolarHBondContact O-CB 3.44Å; A110-V114 WeakPolarHBondContact O-CG2 3.37Å; A110-V114 PolarHBondContact O-N 3.19Å; A110-I131 HydrophobicContact CB-CD1 4.38Å; A110-I131 HydrophobicContact CB-CG1 4.04Å; A110-I131 HydrophobicContact CB-CG2 4.04Å; A110-L161 HydrophobicContact CB-CD2 3.91Å
111	Q	98.4	Very high	95.8	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-52.6	-53.4	177.6	-75.8	169.8	77.5	0	0	111.6	D107 T109 L115 V157 L161 L572	D107-Q111 WeakPolarHBondContact O-CG 3.3Å; D107-Q111 PolarHBondContact O-NE2 3.19Å; T109-Q111 PolarHBondContact O-N 3.2Å; Q111-L115 WeakPolarHBondContact O-CD1 3.43Å; Q111-L115 WeakPolarHBondContact O-CG 3.34Å; Q111-L115 PolarHBondContact O-N 3.49Å; Q111-L115 VanDerWaalsContact O-N 3.1Å; Q111-V157 VanDerWaalsContact CD-CG1 3.42Å; Q111-V157 HydrophobicContact CG-CG1 3.74Å; Q111-L161 HydrophobicContact CG-CD1 4.41Å; Q111-L161 HydrophobicContact CG-CD2 4.21Å; Q111-L161 HydrophobicContact CG-CG 4.49Å; Q111-L572 HydrophobicContact CG-CD2 4.35Å
112	M	98.2	Very high	95.3	Very high	0 Å²	0	11 Å²	11	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-75.9	-37	-176.6	-167.6	57.4	63.5	0	0	112.3	T109 A110 V114 L115 Q116 L575 R614 L617 E679 L683	T109-M112 PolarHBondContact O-N 2.91Å; A110-M112 VanDerWaalsContact C-N 3.34Å; A110-M112 PolarHBondContact O-N 3.24Å; M112-V114 PolarHBondContact O-N 2.82Å; M112-L115 PolarHBondContact O-N 3.16Å; M112-L115 HydrophobicContact SD-CD1 4.43Å; M112-Q116 WeakPolarHBondContact O-CG 3.38Å; M112-Q116 PolarHBondContact O-N 2.92Å; M112-Q116 PolarHBondContact O-NE2 3.46Å; M112-L575 HydrophobicContact CE-CD2 4.44Å; M112-L575 HydrophobicContact SD-CD1 3.74Å; M112-L575 HydrophobicContact SD-CD2 3.76Å; M112-L575 HydrophobicContact SD-CG 4.06Å; M112-R614 WeakPolarHBondContact CE-O 3.43Å; M112-L617 HydrophobicContact CE-CB 4.28Å; M112-E679 WeakPolarHBondContact CB-OE1 3.39Å; M112-E679 HydrophobicContact CG-CG 4.36Å; M112-E679 VanDerWaalsContact CG-OE1 3.27Å; M112-E679 WeakPolarHBondContact CG-OE1 3.43Å; M112-L683 HydrophobicContact CE-CD1 4.45Å; M112-L683 HydrophobicContact CG-CD1 3.46Å; M112-L683 VanDerWaalsContact CG-CD1 3.46Å; M112-L683 HydrophobicContact SD-CD1 3.94Å
113	A	97.8	Very high	94.9	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-61.5	-43.8	174.4	0	0	0	0	0	112	M105 T109 A110 Q116 F117 V221	M105-A113 HydrophobicContact SD-CB 3.57Å; M105-A113 VanDerWaalsContact SD-CB 3.57Å; T109-A113 PolarHBondContact O-N 3.08Å; T109-A113 VanDerWaalsContact O-N 3.12Å; A110-A113 PolarHBondContact O-N 3.31Å; A113-Q116 PolarHBondContact O-N 3.48Å; A113-F117 WeakPolarHBondContact O-CB 3.47Å; A113-F117 PolarHBondContact O-N 2.93Å; A113-V221 VanDerWaalsContact O-CG2 3.26Å; A113-V221 WeakPolarHBondContact O-CG2 3.2Å
114	V	97.7	Very high	94.7	Very high	2 Å²	2	21.2 Å²	21.2	1%	0.012	14%	0.138	C	C	.	.	H	α-helix	trans	-66.2	-42.1	176.6	171	0	0	0	0	111	M105 A110 M112 Q116 F117 M118 I131 F160 L161 A164	M105-V114 HydrophobicContact CE-CG2 4.35Å; A110-V114 VanDerWaalsContact O-CB 3.24Å; A110-V114 WeakPolarHBondContact O-CB 3.44Å; A110-V114 WeakPolarHBondContact O-CG2 3.37Å; A110-V114 PolarHBondContact O-N 3.19Å; M112-V114 PolarHBondContact O-N 2.82Å; V114-Q116 VanDerWaalsContact C-N 3.31Å; V114-Q116 PolarHBondContact O-N 3.08Å; V114-F117 PolarHBondContact O-N 3.14Å; V114-M118 HydrophobicContact CG1-CG 4.21Å; V114-M118 HydrophobicContact CG1-SD 3.98Å; V114-M118 WeakPolarHBondContact O-CB 3.38Å; V114-M118 WeakPolarHBondContact O-CG 3.42Å; V114-M118 PolarHBondContact O-N 2.89Å; V114-I131 HydrophobicContact CG2-CD1 3.95Å; V114-F160 HydrophobicContact CB-CE1 4.35Å; V114-F160 HydrophobicContact CB-CZ 4.18Å; V114-F160 HydrophobicContact CG1-CE1 4.15Å; V114-F160 HydrophobicContact CG1-CE2 4.4Å; V114-F160 HydrophobicContact CG1-CZ 3.64Å; V114-L161 HydrophobicContact CG2-CD2 4.44Å; V114-A164 HydrophobicContact CG1-CB 3.56Å
115	L	96.8	Very high	94.5	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-61.1	-39.1	175.8	-72.3	165.5	0	0	0	112.4	Q111 M112 M118 S119 F160 V565 Q573 L574 L575 G615	Q111-L115 WeakPolarHBondContact O-CD1 3.43Å; Q111-L115 WeakPolarHBondContact O-CG 3.34Å; Q111-L115 PolarHBondContact O-N 3.49Å; Q111-L115 VanDerWaalsContact O-N 3.1Å; M112-L115 PolarHBondContact O-N 3.16Å; M112-L115 HydrophobicContact SD-CD1 4.43Å; L115-M118 HydrophobicContact CD2-SD 4.27Å; L115-S119 PolarHBondContact O-N 3.4Å; L115-S119 PolarHBondContact O-OG 2.81Å; L115-F160 HydrophobicContact CD2-CE2 4.27Å; L115-F160 HydrophobicContact CD2-CZ 3.96Å; L115-F160 HydrophobicContact CG-CZ 3.98Å; L115-V565 HydrophobicContact CD2-CG2 4.22Å; L115-Q573 WeakPolarHBondContact CD1-O 3.45Å; L115-L574 HydrophobicContact CD2-CD2 4.06Å; L115-L575 HydrophobicContact CB-CD1 4.21Å; L115-L575 HydrophobicContact CB-CG 4.35Å; L115-G615 WeakPolarHBondContact CD1-O 3.48Å
116	Q	95.6	Very high	94.4	Very high	3 Å²	3	25.2 Å²	25.2	1%	0.014	17%	0.166	C	C	.	.	H	α-helix	trans	-66.4	-45.2	173.1	-72.4	178.6	101.7	0	0	111.3	M112 A113 V114 M118 S119 S120 V221 L575 E679 L779	M112-Q116 WeakPolarHBondContact O-CG 3.38Å; M112-Q116 PolarHBondContact O-N 2.92Å; M112-Q116 PolarHBondContact O-NE2 3.46Å; A113-Q116 PolarHBondContact O-N 3.48Å; V114-Q116 VanDerWaalsContact C-N 3.31Å; V114-Q116 PolarHBondContact O-N 3.08Å; Q116-M118 PolarHBondContact O-N 3.35Å; Q116-S119 WeakPolarHBondContact O-CB 3.16Å; Q116-S119 PolarHBondContact O-N 3.44Å; Q116-S120 PolarHBondContact O-N 2.82Å; Q116-V221 HydrophobicContact CB-CG2 3.84Å; Q116-L575 HydrophobicContact CB-CD1 4.44Å; Q116-L575 HydrophobicContact CG-CD1 3.45Å; Q116-L575 VanDerWaalsContact CG-CD1 3.45Å; Q116-E679 PolarHBondContact NE2-OE1 2.89Å; Q116-E679 PolarHBondContact NE2-OE2 3.39Å; Q116-L779 HydrophobicContact CB-CD2 4.28Å; Q116-L779 HydrophobicContact CG-CD2 4.21Å
117	F	94.7	Very high	94.4	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.009	17%	0.173	C	C	.	.	H	α-helix	trans	-60.3	-44.6	176.2	-172.9	-101.7	0	0	0	112.1	A113 V114 S119 S120 I122 V125 Y168 V221 M224	A113-F117 WeakPolarHBondContact O-CB 3.47Å; A113-F117 PolarHBondContact O-N 2.93Å; V114-F117 PolarHBondContact O-N 3.14Å; F117-S119 PolarHBondContact O-N 3.04Å; F117-S120 WeakPolarHBondContact O-CB 3.41Å; F117-S120 PolarHBondContact O-N 3.14Å; F117-S120 PolarHBondContact O-OG 3.05Å; F117-I122 HydrophobicContact CE2-CB 4.11Å; F117-I122 HydrophobicContact CE2-CD1 4.49Å; F117-I122 HydrophobicContact CE2-CG2 4.1Å; F117-I122 HydrophobicContact CZ-CB 3.87Å; F117-I122 HydrophobicContact CZ-CG2 3.68Å; F117-V125 HydrophobicContact CE1-CG1 4.15Å; F117-V125 HydrophobicContact CE2-CG1 4.36Å; F117-V125 HydrophobicContact CZ-CG1 3.92Å; F117-Y168 HydrophobicContact CD1-CD1 4.09Å; F117-Y168 HydrophobicContact CD1-CD2 4.37Å; F117-Y168 HydrophobicContact CD1-CE1 4.41Å; F117-Y168 HydrophobicContact CD1-CG 4.07Å; F117-Y168 AromaticContact CE1-CD1 3.6Å; F117-Y168 HydrophobicContact CE1-CD1 3.6Å; F117-Y168 HydrophobicContact CE1-CE1 4.17Å; F117-Y168 AromaticContact CE1-CG 3.82Å; F117-Y168 HydrophobicContact CE1-CG 3.82Å; F117-V221 HydrophobicContact CB-CG1 4.5Å; F117-V221 HydrophobicContact CB-CG2 4.21Å; F117-V221 HydrophobicContact CD2-CG1 4.32Å; F117-M224 HydrophobicContact CB-CE 4.16Å; F117-M224 HydrophobicContact CD2-CB 3.82Å; F117-M224 HydrophobicContact CD2-CE 4.24Å; F117-M224 HydrophobicContact CE2-CB 3.74Å; F117-M224 HydrophobicContact CG-CE 4.36Å
118	M	92.5	Very high	94.4	Very high	38 Å²	38	27.5 Å²	27.5	19%	0.187	18%	0.181	C	C	.	.	H	α-helix	trans	-54.6	-36.9	173.8	-71.8	169.9	65.5	0	0	112.1	V114 L115 Q116 S120 G121 F160 Y168 V563 L574	V114-M118 HydrophobicContact CG1-CG 4.21Å; V114-M118 HydrophobicContact CG1-SD 3.98Å; V114-M118 WeakPolarHBondContact O-CB 3.38Å; V114-M118 WeakPolarHBondContact O-CG 3.42Å; V114-M118 PolarHBondContact O-N 2.89Å; L115-M118 HydrophobicContact CD2-SD 4.27Å; Q116-M118 PolarHBondContact O-N 3.35Å; M118-S120 VanDerWaalsContact C-N 3.28Å; M118-S120 PolarHBondContact O-N 3.48Å; M118-G121 PolarHBondContact O-N 3.25Å; M118-F160 HydrophobicContact SD-CE2 3.77Å; M118-F160 HydrophobicContact SD-CZ 4.01Å; M118-Y168 HydrophobicContact CG-CE2 3.63Å; M118-Y168 WeakPolarHBondContact CG-OH 3.32Å; M118-V563 HydrophobicContact CE-CB 4.26Å; M118-V563 HydrophobicContact CE-CG1 3.95Å; M118-V563 HydrophobicContact SD-CG1 4.09Å; M118-L574 HydrophobicContact CE-CD2 4.09Å
119	S	88.3	Confident	94.5	Very high	55 Å²	55	27.5 Å²	27.5	39%	0.385	18%	0.181	S	C	.	.	H	α-helix	trans	-74.6	-16.7	-179.7	-55	0	0	0	0	113.4	L115 Q116 F117 G121	L115-S119 PolarHBondContact O-N 3.4Å; L115-S119 PolarHBondContact O-OG 2.81Å; Q116-S119 WeakPolarHBondContact O-CB 3.16Å; Q116-S119 PolarHBondContact O-N 3.44Å; F117-S119 PolarHBondContact O-N 3.04Å; S119-G121 VanDerWaalsContact C-N 3.3Å
120	S	84.1	Confident	94.5	Very high	14 Å²	14	27.2 Å²	27.2	10%	0.098	18%	0.179	C	C	.	.	H	α-helix	trans	-72.3	-21.9	174.3	75	0	0	0	0	113.3	Q116 F117 M118 I122	Q116-S120 PolarHBondContact O-N 2.82Å; F117-S120 WeakPolarHBondContact O-CB 3.41Å; F117-S120 PolarHBondContact O-N 3.14Å; F117-S120 PolarHBondContact O-OG 3.05Å; M118-S120 VanDerWaalsContact C-N 3.28Å; M118-S120 PolarHBondContact O-N 3.48Å; S120-I122 VanDerWaalsContact C-N 3.25Å; S120-I122 PolarHBondContact O-N 2.83Å; S120-I122 WeakPolarHBondContact OG-CB 3.36Å; S120-I122 WeakPolarHBondContact OG-CG1 3.3Å; S120-I122 PolarHBondContact OG-N 3.08Å
121	G	83.4	Confident	94.5	Very high	68 Å²	68	27.2 Å²	27.2	70%	0.701	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.5	-2.1	-174.7	0	0	0	0	0	115.1	M118 S119	M118-G121 PolarHBondContact O-N 3.25Å; S119-G121 VanDerWaalsContact C-N 3.3Å
122	I	87.5	Confident	94.6	Very high	33 Å²	33	27.2 Å²	27.2	17%	0.169	18%	0.179	C	C	.	.			trans	-68.2	136.3	179.7	-61.6	173	0	0	0	110.7	F117 S120 Q124 A225	F117-I122 HydrophobicContact CE2-CB 4.11Å; F117-I122 HydrophobicContact CE2-CD1 4.49Å; F117-I122 HydrophobicContact CE2-CG2 4.1Å; F117-I122 HydrophobicContact CZ-CB 3.87Å; F117-I122 HydrophobicContact CZ-CG2 3.68Å; S120-I122 VanDerWaalsContact C-N 3.25Å; S120-I122 PolarHBondContact O-N 2.83Å; S120-I122 WeakPolarHBondContact OG-CB 3.36Å; S120-I122 WeakPolarHBondContact OG-CG1 3.3Å; S120-I122 PolarHBondContact OG-N 3.08Å; I122-Q124 VanDerWaalsContact CG2-O 3.31Å; I122-Q124 WeakPolarHBondContact CG2-O 3.25Å; I122-A225 HydrophobicContact CD1-CB 3.26Å
123	S	90.3	Very high	94.6	Very high	102 Å²	102	27.2 Å²	27.2	71%	0.713	18%	0.179	S	C	*	.	S	Bend	trans	-81.1	-29.4	-171.5	58.9	0	0	0	0	114.5	Y168	S123-Y168 WeakPolarHBondContact O-CD1 3.41Å
124	Q	94.2	Very high	94.6	Very high	111 Å²	111	27.2 Å²	27.2	52%	0.519	18%	0.179	S	C	.	.	S	Bend	trans	-152.6	149.1	-177.8	-171	179	-15.2	0	0	110.4	I122 Y168	I122-Q124 VanDerWaalsContact CG2-O 3.31Å; I122-Q124 WeakPolarHBondContact CG2-O 3.25Å; Q124-Y168 VanDerWaalsContact CG-O 3.31Å; Q124-Y168 WeakPolarHBondContact CG-O 3.45Å
125	V	96.7	Very high	94.6	Very high	13 Å²	13	27.7 Å²	27.7	8%	0.079	18%	0.181	C	C	.	.			trans	-65.6	141.7	174.4	-58.8	0	0	0	0	112.5	F117 V127 Y168 I170 M224	F117-V125 HydrophobicContact CE1-CG1 4.15Å; F117-V125 HydrophobicContact CE2-CG1 4.36Å; F117-V125 HydrophobicContact CZ-CG1 3.92Å; V125-V127 WeakPolarHBondContact CG2-O 3.38Å; V125-Y168 PolarHBondContact N-O 2.84Å; V125-I170 HydrophobicContact CG1-CD1 3.89Å; V125-I170 HydrophobicContact CG1-CG1 3.65Å; V125-I170 HydrophobicContact CG2-CG1 4.11Å; V125-M224 CarbonylContact C-O 3.27Å; V125-M224 WeakPolarHBondContact CA-O 3.42Å; V125-M224 HydrophobicContact CB-CB 4.27Å; V125-M224 HydrophobicContact CB-CG 4.34Å; V125-M224 HydrophobicContact CG1-CB 3.94Å; V125-M224 HydrophobicContact CG1-CG 3.91Å; V125-M224 HydrophobicContact CG1-SD 3.89Å
126	S	96.4	Very high	94.7	Very high	72 Å²	72	27.9 Å²	27.9	50%	0.503	18%	0.182	S	C	.	.	S	Bend	trans	-81.4	-18.4	-175.8	-69.3	0	0	0	0	114.8	M224 G226	S126-M224 PolarHBondContact N-O 2.94Å; S126-M224 PolarHBondContact OG-O 3.14Å; S126-G226 WeakPolarHBondContact OG-CA 3.39Å; S126-G226 PolarHBondContact OG-N 3.09Å
127	V	97.6	Very high	94.8	Very high	31 Å²	31	27.8 Å²	27.8	19%	0.188	18%	0.182	C	C	.	.	S	Bend	trans	-132.2	156.5	177.8	-58.4	0	0	0	0	110.6	V103 V125 T129 V223	V103-V127 HydrophobicContact CG2-CG2 3.86Å; V125-V127 WeakPolarHBondContact CG2-O 3.38Å; V127-T129 PolarHBondContact O-N 3.39Å; V127-T129 VanDerWaalsContact O-N 3.12Å; V127-T129 PolarHBondContact O-OG1 3.14Å; V127-V223 HydrophobicContact CG1-CG1 4.3Å; V127-V223 HydrophobicContact CG2-CG1 3.65Å
128	P	98.5	Very high	95	Very high	25 Å²	25	31 Å²	31	16%	0.162	20%	0.196	C	C	.	.			trans	-45	122.7	169.8	-32.3	38.8	0	0	0	111.9	M41 E45 T48 R102 V103	M41-P128 HydrophobicContact CE-CB 4Å; M41-P128 HydrophobicContact CE-CG 3.74Å; M41-P128 HydrophobicContact SD-CG 4.3Å; E45-P128 HydrophobicContact CG-CB 4.04Å; E45-P128 HydrophobicContact CG-CG 4.24Å; T48-P128 HydrophobicContact CG2-CG 4.12Å; R102-P128 VanDerWaalsContact CA-O 3.24Å; R102-P128 WeakPolarHBondContact CA-O 3.43Å; R102-P128 HydrophobicContact CB-CB 4.15Å; R102-P128 WeakPolarHBondContact CB-O 3.44Å; V103-P128 PolarHBondContact N-O 2.97Å
129	T	98.8	Very high	95.2	Very high	3 Å²	3	29.4 Å²	29.4	2%	0.018	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	142.7	-174.7	-59.4	0	0	0	0	109.2	V103 M105 V127 I170 G171 M224	V103-T129 HydrophobicContact CB-CG2 4.01Å; V103-T129 HydrophobicContact CG1-CG2 4.08Å; V103-T129 VanDerWaalsContact O-CA 3.3Å; V103-T129 WeakPolarHBondContact O-CA 3.27Å; M105-T129 HydrophobicContact CE-CG2 3.68Å; V127-T129 PolarHBondContact O-N 3.39Å; V127-T129 VanDerWaalsContact O-N 3.12Å; V127-T129 PolarHBondContact O-OG1 3.14Å; T129-I170 HydrophobicContact CG2-CB 4.47Å; T129-I170 HydrophobicContact CG2-CD1 4.36Å; T129-I170 HydrophobicContact CG2-CG1 4.02Å; T129-I170 HydrophobicContact CG2-CG2 3.84Å; T129-I170 WeakPolarHBondContact O-CG2 3.5Å; T129-G171 PolarHBondContact O-N 3.43Å; T129-M224 HydrophobicContact CG2-CG 4.17Å; T129-M224 HydrophobicContact CG2-SD 3.71Å
130	T	98.9	Very high	95.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	145.1	177.3	48.7	0	0	0	0	112.9	V103 A104 M105 H132 G171 Y188	V103-T130 PolarHBondContact O-N 3.46Å; V103-T130 VanDerWaalsContact O-N 3.1Å; A104-T130 CarbonylContact C-O 3.56Å; M105-T130 PolarHBondContact N-O 3.21Å; T130-H132 WeakPolarHBondContact CB-NE2 3.27Å; T130-H132 PolarHBondContact OG1-NE2 2.99Å; T130-G171 CarbonylContact C-O 3.43Å; T130-G171 VanDerWaalsContact CA-O 3.23Å; T130-G171 WeakPolarHBondContact CA-O 3.42Å; T130-Y188 HydrophobicContact CG2-CE1 4.33Å; T130-Y188 HydrophobicContact CG2-CE2 4.11Å
131	I	98.9	Very high	95.9	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	136.2	168.7	-68.8	165.3	0	0	0	109	M105 A110 V114 L161 A165 I170 G171 F172 W173	M105-I131 HydrophobicContact CB-CG1 4.34Å; M105-I131 HydrophobicContact CE-CD1 4.13Å; M105-I131 HydrophobicContact CE-CG1 3.73Å; M105-I131 CarbonylContact O-C 3.2Å; M105-I131 VanDerWaalsContact O-CA 3.27Å; M105-I131 WeakPolarHBondContact O-CA 3.36Å; A110-I131 HydrophobicContact CB-CD1 4.38Å; A110-I131 HydrophobicContact CB-CG1 4.04Å; A110-I131 HydrophobicContact CB-CG2 4.04Å; V114-I131 HydrophobicContact CG2-CD1 3.95Å; I131-L161 HydrophobicContact CD1-CD2 4.33Å; I131-L161 HydrophobicContact CG2-CB 4.37Å; I131-L161 HydrophobicContact CG2-CD1 4.19Å; I131-A165 HydrophobicContact CD1-CB 4.26Å; I131-I170 HydrophobicContact CD1-CD1 4.49Å; I131-I170 HydrophobicContact CD1-CG2 3.98Å; I131-I170 HydrophobicContact CG1-CG2 3.91Å; I131-G171 PolarHBondContact N-O 3.16Å; I131-F172 HydrophobicContact CB-CD2 4Å; I131-F172 HydrophobicContact CG2-CD2 3.85Å; I131-F172 HydrophobicContact CG2-CE2 3.9Å; I131-W173 PolarHBondContact O-N 3.34Å
132	H	98.9	Very high	96.4	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	125.7	-178.7	-57.9	-102.1	0	0	0	110.6	M105 Q106 D107 T130 D134 W173 I180	M105-H132 PolarHBondContact O-CD2 2.94Å; M105-H132 PolarHBondContact O-N 3.31Å; Q106-H132 CarbonylContact C-O 3.56Å; Q106-H132 WeakPolarHBondContact CA-O 3.15Å; D107-H132 PolarHBondContact N-O 3.18Å; T130-H132 WeakPolarHBondContact CB-NE2 3.27Å; T130-H132 PolarHBondContact OG1-NE2 2.99Å; H132-D134 PolarHBondContact O-N 2.68Å; H132-W173 AromaticContact CE1-CD1 3.4Å; H132-W173 AromaticContact CE1-NE1 3.69Å; H132-W173 AromaticContact ND1-CD1 3.48Å; H132-W173 AromaticContact ND1-CG 3.82Å; H132-I180 HydrophobicContact CB-CB 3.85Å; H132-I180 HydrophobicContact CB-CG1 4.26Å
133	C	98.7	Very high	96.8	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.191	C	C	.	.			trans	-97.1	82.8	-176.1	-63.1	0	0	0	0	112.8	D107 Y158 F172 W173 P175	D107-C133 HydrophobicContact CB-CB 4.41Å; D107-C133 WeakPolarHBondContact OD2-CA 3.4Å; C133-Y158 HydrophobicContact CB-CD1 4.32Å; C133-Y158 HydrophobicContact CB-CE1 3.98Å; C133-F172 WeakPolarHBondContact SG-CE2 3.38Å; C133-F172 WeakPolarHBondContact SG-CZ 3.31Å; C133-W173 WeakPolarHBondContact CB-O 3.43Å; C133-W173 PolarHBondContact N-O 3.37Å; C133-W173 PolarHBondContact SG-O 2.9Å; C133-W173 VanDerWaalsContact SG-O 3.33Å; C133-P175 HydrophobicContact CB-CB 4.19Å; C133-P175 HydrophobicContact CB-CG 3.79Å
134	D	98.5	Very high	97.1	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.191	C	C	.	.			trans	-132.2	-13.8	-169.5	61.8	-13.5	0	0	0	115.2	Q106 D107 H132 I179 I180 A454 C455	Q106-D134 WeakPolarHBondContact CB-OD1 3.45Å; D107-D134 PolarHBondContact OD1-N 2.87Å; D107-D134 PolarHBondContact OD2-N 2.77Å; H132-D134 PolarHBondContact O-N 2.68Å; D134-I179 VanDerWaalsContact OD2-CA 3.31Å; D134-I179 WeakPolarHBondContact OD2-CA 3.39Å; D134-I179 WeakPolarHBondContact OD2-CG2 3.4Å; D134-I180 WeakPolarHBondContact OD2-CG2 3.43Å; D134-I180 PolarHBondContact OD2-N 3.42Å; D134-A454 WeakPolarHBondContact O-CB 3.26Å; D134-C455 WeakPolarHBondContact O-CB 3.47Å; D134-C455 PolarHBondContact O-N 3.28Å
135	H	98.1	Very high	97.2	Very high	11 Å²	11	36 Å²	36	5%	0.051	19%	0.187	C	C	.	.	S	Bend	trans	-97.2	-8.5	-177.5	-71.6	64.2	0	0	0	114.3	Q106 D107 A108 D199 C455 Q461	Q106-H135 VanDerWaalsContact CG-CE1 3.45Å; Q106-H135 WeakPolarHBondContact CG-CE1 3.42Å; Q106-H135 PolarHBondContact NE2-NE2 3.13Å; Q106-H135 PolarHBondContact OE1-ND1 2.87Å; D107-H135 WeakPolarHBondContact OD1-CA 3.4Å; D107-H135 WeakPolarHBondContact OD1-CB 3.15Å; D107-H135 IonicContact OD1-CG 3.58Å; D107-H135 PolarHBondContact OD1-N 3.36Å; D107-H135 IonicContact OD1-ND1 2.74Å; A108-H135 HydrophobicContact CB-CB 3.64Å; H135-D199 IonicContact CE1-OD2 2.77Å; H135-D199 IonicContact NE2-OD2 3.94Å; H135-C455 PolarHBondContact CE1-SG 3.48Å; H135-Q461 WeakPolarHBondContact O-CG 3.19Å
136	L	98	Very high	97.3	Very high	5 Å²	5	35.4 Å²	35.4	3%	0.026	18%	0.184	C	C	.	.	S	Bend	trans	-106.7	8	-176.3	-58.9	-179.5	0	0	0	114.4	D107 N154 V157 Y158 L611	D107-L136 HydrophobicContact CB-CD1 4.42Å; D107-L136 WeakPolarHBondContact OD2-CB 3.24Å; D107-L136 WeakPolarHBondContact OD2-CG 3.41Å; D107-L136 PolarHBondContact OD2-N 3.3Å; L136-N154 HydrophobicContact CD1-CB 4.48Å; L136-N154 PolarHBondContact O-ND2 2.83Å; L136-V157 HydrophobicContact CD1-CB 4.35Å; L136-V157 HydrophobicContact CD1-CG1 3.76Å; L136-Y158 HydrophobicContact CB-CE1 4.28Å; L136-Y158 WeakPolarHBondContact CB-OH 3.36Å; L136-Y158 HydrophobicContact CD1-CE1 4.15Å; L136-L611 HydrophobicContact CD2-CB 3.97Å
137	I	98.1	Very high	97.4	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	17%	0.169	C	C	.	.			trans	-96.4	107.3	177.1	-56.7	164.7	0	0	0	109.2	D146 L147 A150 P175 A452 A454	I137-D146 HydrophobicContact CG2-CB 4.4Å; I137-L147 HydrophobicContact CD1-CD1 3.79Å; I137-L147 HydrophobicContact CG1-CD1 4.43Å; I137-A150 HydrophobicContact CB-CB 4.09Å; I137-A150 HydrophobicContact CG1-CB 3.73Å; I137-A150 HydrophobicContact CG2-CB 4.05Å; I137-P175 HydrophobicContact CD1-CB 4.28Å; I137-A452 HydrophobicContact CG2-CB 3.75Å; I137-A454 HydrophobicContact CB-CB 3.71Å; I137-A454 HydrophobicContact CD1-CB 3.74Å; I137-A454 HydrophobicContact CG1-CB 4.23Å; I137-A454 HydrophobicContact CG2-CB 4.2Å
138	E	97.8	Very high	97.4	Very high	68 Å²	68	35.9 Å²	35.9	32%	0.318	19%	0.185	S	C	.	.			trans	-80.7	122.6	179.9	-173.3	-170.1	-121.3	0	0	111.5	D146 R149 D463	E138-D146 WeakPolarHBondContact O-CB 3.38Å; E138-R149 PolarHBondContact O-NH2 3.38Å; E138-R149 IonicContact OE2-CZ 2.94Å; E138-R149 IonicContact OE2-NE 3.81Å; E138-R149 IonicContact OE2-NH2 3.76Å; E138-R149 PolarHBondContact OE2-NH2 2.65Å; E138-D463 HydrophobicContact CG-CB 4.4Å
139	A	97.5	Very high	97.4	Very high	5 Å²	5	37.3 Å²	37.3	4%	0.041	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-71.1	131.2	173	0	0	0	0	0	110.9	D146 L451 P457 Q461 W462 D463	A139-D146 WeakPolarHBondContact CA-OD2 3.47Å; A139-L451 HydrophobicContact CB-CD1 3.88Å; A139-L451 HydrophobicContact CB-CD2 4.08Å; A139-P457 HydrophobicContact CB-CG 3.94Å; A139-Q461 PolarHBondContact N-O 3.41Å; A139-W462 WeakPolarHBondContact O-CA 3.47Å; A139-D463 PolarHBondContact O-N 3.37Å
140	R	93.8	Very high	97.3	Very high	127 Å²	127	37.3 Å²	37.3	48%	0.479	19%	0.188	S	C	.	.	S	Bend	trans	-149.1	-49.4	176.6	-177.8	-178.5	170.1	-174.2	-2.8	113.1	D146 D463	R140-D146 WeakPolarHBondContact CB-OD1 3.38Å; R140-D146 VanDerWaalsContact N-CG 3.31Å; R140-D146 PolarHBondContact N-OD1 3.3Å; R140-D146 PolarHBondContact N-OD2 2.79Å; R140-D463 HydrophobicContact CB-CB 4.06Å; R140-D463 WeakPolarHBondContact CD-OD2 3.25Å; R140-D463 HydrophobicContact CG-CB 4.02Å; R140-D463 IonicContact NE-OD2 3.12Å
141	M	92.5	Very high	97.3	Very high	90 Å²	90	42.4 Å²	42.4	44%	0.443	21%	0.21	S	C	.	.	S	Bend	trans	-120.3	-70.6	-174	-61.7	-160.3	-70	0	0	111.4	E145 D146 V449	M141-E145 WeakPolarHBondContact CB-OE2 3.35Å; M141-E145 HydrophobicContact CE-CB 3.95Å; M141-E145 HydrophobicContact CE-CG 4.32Å; M141-E145 WeakPolarHBondContact CE-OE2 3.43Å; M141-D146 PolarHBondContact N-OD1 2.9Å; M141-D146 VanDerWaalsContact N-OD1 3.13Å; M141-D146 PolarHBondContact N-OD2 3.32Å; M141-V449 WeakPolarHBondContact O-CG1 3.28Å
142	D	95.4	Very high	97.2	Very high	56 Å²	56	47.6 Å²	47.6	30%	0.299	24%	0.241	S	C	.	.			trans	-155.2	174.1	174.5	71.6	34.7	0	0	0	110.9	I144 E145 D146 V449	D142-I144 VanDerWaalsContact C-N 3.3Å; D142-I144 PolarHBondContact O-N 3.44Å; D142-I144 WeakPolarHBondContact OD1-CA 3.26Å; D142-I144 PolarHBondContact OD1-N 3.31Å; D142-E145 PolarHBondContact OD1-N 3.31Å; D142-D146 WeakPolarHBondContact O-CB 3.45Å; D142-D146 PolarHBondContact O-N 3.47Å; D142-D146 VanDerWaalsContact O-OD2 3.12Å; D142-V449 HydrophobicContact CB-CG1 4.42Å
143	G	94.9	Very high	97.2	Very high	16 Å²	16	51.6 Å²	51.6	17%	0.165	27%	0.266	C	S	.	.	H	α-helix	trans	-63.2	-26.5	-176.4	0	0	0	0	0	116.5	L147 V450 L451	G143-L147 WeakPolarHBondContact O-CB 3.5Å; G143-L147 PolarHBondContact O-N 3.47Å; G143-V450 PolarHBondContact N-O 2.85Å; G143-L451 VanDerWaalsContact CA-C 3.47Å
144	I	96.2	Very high	97.1	Very high	140 Å²	140	52.2 Å²	52.2	72%	0.718	27%	0.269	S	S	*	.	H	α-helix	trans	-79.2	-50.9	-179.2	-63.9	175.2	0	0	0	109.3	D142 S148	D142-I144 VanDerWaalsContact C-N 3.3Å; D142-I144 PolarHBondContact O-N 3.44Å; D142-I144 WeakPolarHBondContact OD1-CA 3.26Å; D142-I144 PolarHBondContact OD1-N 3.31Å; I144-S148 WeakPolarHBondContact O-CB 3.25Å; I144-S148 PolarHBondContact O-N 3.29Å
145	E	97.5	Very high	97.1	Very high	92 Å²	92	57.7 Å²	57.7	43%	0.43	30%	0.295	S	S	.	.	H	α-helix	trans	-69.7	-39.9	-177	-65.9	-173.7	143.9	0	0	111.6	M141 D142 S148 R149	M141-E145 WeakPolarHBondContact CB-OE2 3.35Å; M141-E145 HydrophobicContact CE-CB 3.95Å; M141-E145 HydrophobicContact CE-CG 4.32Å; M141-E145 WeakPolarHBondContact CE-OE2 3.43Å; D142-E145 PolarHBondContact OD1-N 3.31Å; E145-S148 PolarHBondContact O-N 3.17Å; E145-R149 WeakPolarHBondContact O-CB 3.38Å; E145-R149 PolarHBondContact O-N 2.83Å
146	D	98.1	Very high	97.1	Very high	1 Å²	1	60.1 Å²	60.1	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-65.4	-41	178.1	-68.3	-23.6	0	0	0	111.6	I137 E138 A139 R140 M141 D142 R149 A150	I137-D146 HydrophobicContact CG2-CB 4.4Å; E138-D146 WeakPolarHBondContact O-CB 3.38Å; A139-D146 WeakPolarHBondContact CA-OD2 3.47Å; R140-D146 WeakPolarHBondContact CB-OD1 3.38Å; R140-D146 VanDerWaalsContact N-CG 3.31Å; R140-D146 PolarHBondContact N-OD1 3.3Å; R140-D146 PolarHBondContact N-OD2 2.79Å; M141-D146 PolarHBondContact N-OD1 2.9Å; M141-D146 VanDerWaalsContact N-OD1 3.13Å; M141-D146 PolarHBondContact N-OD2 3.32Å; D142-D146 WeakPolarHBondContact O-CB 3.45Å; D142-D146 PolarHBondContact O-N 3.47Å; D142-D146 VanDerWaalsContact O-OD2 3.12Å; D146-R149 PolarHBondContact O-N 2.85Å; D146-R149 IonicContact OD1-CZ 3.81Å; D146-R149 IonicContact OD1-NH1 3.48Å; D146-R149 PolarHBondContact OD1-NH1 3.28Å; D146-R149 IonicContact OD1-NH2 3.8Å; D146-A150 WeakPolarHBondContact O-CB 3.37Å; D146-A150 PolarHBondContact O-N 3.14Å
147	L	98	Very high	97.1	Very high	37 Å²	37	59.9 Å²	59.9	19%	0.194	31%	0.305	C	S	.	.	H	α-helix	trans	-66	-43.6	176.1	178.2	59	0	0	0	111.9	I137 G143 R149 A150 K151 P175	I137-L147 HydrophobicContact CD1-CD1 3.79Å; I137-L147 HydrophobicContact CG1-CD1 4.43Å; G143-L147 WeakPolarHBondContact O-CB 3.5Å; G143-L147 PolarHBondContact O-N 3.47Å; L147-R149 VanDerWaalsContact C-N 3.35Å; L147-R149 PolarHBondContact O-N 3.39Å; L147-A150 PolarHBondContact O-N 3.22Å; L147-K151 HydrophobicContact CD1-CG 4.41Å; L147-K151 WeakPolarHBondContact O-CG 3.48Å; L147-K151 PolarHBondContact O-N 3.14Å; L147-P175 HydrophobicContact CD1-CB 3.9Å; L147-P175 WeakPolarHBondContact CD1-O 3.42Å
148	S	97.9	Very high	97.1	Very high	76 Å²	76	60.5 Å²	60.5	53%	0.531	31%	0.307	S	S	.	.	H	α-helix	trans	-59.6	-46.5	177	-173.1	0	0	0	0	111.2	I144 E145 A150 K151 V152	I144-S148 WeakPolarHBondContact O-CB 3.25Å; I144-S148 PolarHBondContact O-N 3.29Å; E145-S148 PolarHBondContact O-N 3.17Å; S148-A150 PolarHBondContact O-N 2.82Å; S148-K151 PolarHBondContact O-N 2.91Å; S148-V152 PolarHBondContact O-N 3.49Å
149	R	98.1	Very high	97.2	Very high	55 Å²	55	61.8 Å²	61.8	21%	0.208	32%	0.317	C	S	.	.	H	α-helix	trans	-60.2	-44.3	175	-175.6	174.4	79.2	-106.7	4.7	112	E138 E145 D146 L147 K151 V152 T153	E138-R149 PolarHBondContact O-NH2 3.38Å; E138-R149 IonicContact OE2-CZ 2.94Å; E138-R149 IonicContact OE2-NE 3.81Å; E138-R149 IonicContact OE2-NH2 3.76Å; E138-R149 PolarHBondContact OE2-NH2 2.65Å; E145-R149 WeakPolarHBondContact O-CB 3.38Å; E145-R149 PolarHBondContact O-N 2.83Å; D146-R149 PolarHBondContact O-N 2.85Å; D146-R149 IonicContact OD1-CZ 3.81Å; D146-R149 IonicContact OD1-NH1 3.48Å; D146-R149 PolarHBondContact OD1-NH1 3.28Å; D146-R149 IonicContact OD1-NH2 3.8Å; L147-R149 VanDerWaalsContact C-N 3.35Å; L147-R149 PolarHBondContact O-N 3.39Å; R149-K151 PolarHBondContact O-N 3.39Å; R149-V152 PolarHBondContact O-N 2.92Å; R149-T153 VanDerWaalsContact O-CB 3.31Å; R149-T153 WeakPolarHBondContact O-CB 3.5Å; R149-T153 PolarHBondContact O-N 2.89Å; R149-T153 PolarHBondContact O-OG1 3.41Å
150	A	98	Very high	97.2	Very high	4 Å²	4	61.8 Å²	61.8	3%	0.033	32%	0.316	C	S	.	.	H	α-helix	trans	-63.5	-41	-178.7	0	0	0	0	0	112.1	I137 D146 L147 S148 V152 T153 N154 Y158	I137-A150 HydrophobicContact CB-CB 4.09Å; I137-A150 HydrophobicContact CG1-CB 3.73Å; I137-A150 HydrophobicContact CG2-CB 4.05Å; D146-A150 WeakPolarHBondContact O-CB 3.37Å; D146-A150 PolarHBondContact O-N 3.14Å; L147-A150 PolarHBondContact O-N 3.22Å; S148-A150 PolarHBondContact O-N 2.82Å; A150-V152 VanDerWaalsContact C-N 3.31Å; A150-V152 PolarHBondContact O-N 3.13Å; A150-T153 PolarHBondContact O-N 2.84Å; A150-N154 WeakPolarHBondContact O-CB 3.41Å; A150-N154 PolarHBondContact O-N 3.44Å; A150-N154 PolarHBondContact O-ND2 2.97Å; A150-Y158 WeakPolarHBondContact O-CE2 3.12Å
151	K	98	Very high	97.4	Very high	106 Å²	106	55.7 Å²	55.7	46%	0.461	29%	0.293	S	S	.	.	H	α-helix	trans	-58.9	-40.7	176.9	-75	179.5	178.3	-178	0	112.4	L147 S148 R149 E155 P175	L147-K151 HydrophobicContact CD1-CG 4.41Å; L147-K151 WeakPolarHBondContact O-CG 3.48Å; L147-K151 PolarHBondContact O-N 3.14Å; S148-K151 PolarHBondContact O-N 2.91Å; R149-K151 PolarHBondContact O-N 3.39Å; K151-E155 WeakPolarHBondContact O-CA 3.45Å; K151-E155 WeakPolarHBondContact O-CB 3.49Å; K151-E155 PolarHBondContact O-N 3.41Å; K151-P175 HydrophobicContact CG-CB 4.36Å
152	V	98.1	Very high	97.7	Very high	109 Å²	109	51.7 Å²	51.7	66%	0.661	28%	0.275	S	S	*	.	H	α-helix	trans	-72.5	-48.5	175.4	179	0	0	0	0	111.1	S148 R149 A150 N154 E155	S148-V152 PolarHBondContact O-N 3.49Å; R149-V152 PolarHBondContact O-N 2.92Å; A150-V152 VanDerWaalsContact C-N 3.31Å; A150-V152 PolarHBondContact O-N 3.13Å; V152-N154 VanDerWaalsContact C-N 3.29Å; V152-N154 PolarHBondContact O-N 2.92Å; V152-E155 PolarHBondContact O-N 3.12Å
153	T	97.3	Very high	97.8	Very high	85 Å²	85	51 Å²	51	52%	0.521	27%	0.274	S	S	.	.	H	α-helix	trans	-66.4	-31	-173.4	-55.7	0	0	0	0	113	R149 A150 R571	R149-T153 VanDerWaalsContact O-CB 3.31Å; R149-T153 WeakPolarHBondContact O-CB 3.5Å; R149-T153 PolarHBondContact O-N 2.89Å; R149-T153 PolarHBondContact O-OG1 3.41Å; A150-T153 PolarHBondContact O-N 2.84Å; T153-R571 PolarHBondContact O-NH1 2.81Å; T153-R571 VanDerWaalsContact O-NH1 3.11Å
154	N	98.1	Very high	97.9	Very high	12 Å²	12	50.2 Å²	50.2	6%	0.064	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.5	17.1	-176.2	-59.1	-60.1	0	0	0	113.1	L136 A150 V152 E156 V157 Y158 R571	L136-N154 HydrophobicContact CD1-CB 4.48Å; L136-N154 PolarHBondContact O-ND2 2.83Å; A150-N154 WeakPolarHBondContact O-CB 3.41Å; A150-N154 PolarHBondContact O-N 3.44Å; A150-N154 PolarHBondContact O-ND2 2.97Å; V152-N154 VanDerWaalsContact C-N 3.29Å; V152-N154 PolarHBondContact O-N 2.92Å; N154-E156 PolarHBondContact O-N 3Å; N154-V157 PolarHBondContact O-N 3.1Å; N154-Y158 HydrophobicContact CB-CD2 3.91Å; N154-Y158 HydrophobicContact CB-CE1 4.25Å; N154-Y158 HydrophobicContact CB-CE2 3.53Å; N154-Y158 HydrophobicContact CB-CG 4.44Å; N154-Y158 WeakPolarHBondContact O-CD2 3.41Å; N154-Y158 PolarHBondContact O-N 3.36Å; N154-R571 PolarHBondContact OD1-NH1 2.91Å; N154-R571 PolarHBondContact OD1-NH2 3.5Å
155	E	98	Very high	98	Very high	116 Å²	116	43.5 Å²	43.5	54%	0.542	23%	0.232	S	C	.	.	H	α-helix	trans	-48.3	-46.7	-178.9	-179.7	178.7	-151	0	0	112.2	K151 V152 V157 Y158 N159	K151-E155 WeakPolarHBondContact O-CA 3.45Å; K151-E155 WeakPolarHBondContact O-CB 3.49Å; K151-E155 PolarHBondContact O-N 3.41Å; V152-E155 PolarHBondContact O-N 3.12Å; E155-V157 PolarHBondContact O-N 3.43Å; E155-Y158 PolarHBondContact O-N 2.83Å; E155-N159 VanDerWaalsContact CG-ND2 3.34Å; E155-N159 WeakPolarHBondContact CG-ND2 3.41Å; E155-N159 VanDerWaalsContact O-CB 3.24Å; E155-N159 WeakPolarHBondContact O-CB 3.32Å; E155-N159 PolarHBondContact O-N 2.95Å; E155-N159 PolarHBondContact O-ND2 3.19Å
156	E	98.2	Very high	98	Very high	61 Å²	61	39.5 Å²	39.5	29%	0.285	21%	0.214	S	C	.	.	H	α-helix	trans	-56.9	-46.5	178.6	-179.6	178.1	-163.1	0	0	112.6	N154 F160 S569 R571 L572	N154-E156 PolarHBondContact O-N 3Å; E156-F160 WeakPolarHBondContact O-CB 3.36Å; E156-F160 PolarHBondContact O-N 3.12Å; E156-S569 VanDerWaalsContact CD-OG 3.29Å; E156-S569 WeakPolarHBondContact OE1-CB 3.28Å; E156-S569 PolarHBondContact OE1-OG 2.9Å; E156-S569 PolarHBondContact OE2-OG 3.27Å; E156-R571 WeakPolarHBondContact OE2-CB 3.4Å; E156-R571 WeakPolarHBondContact OE2-CG 3.41Å; E156-L572 HydrophobicContact CG-CD1 4.01Å
157	V	98.4	Very high	98	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-71.4	-42.7	-178	175.3	0	0	0	0	110.7	Q111 L136 N154 E155 F160 L161 R571	Q111-V157 VanDerWaalsContact CD-CG1 3.42Å; Q111-V157 HydrophobicContact CG-CG1 3.74Å; L136-V157 HydrophobicContact CD1-CB 4.35Å; L136-V157 HydrophobicContact CD1-CG1 3.76Å; N154-V157 PolarHBondContact O-N 3.1Å; E155-V157 PolarHBondContact O-N 3.43Å; V157-F160 PolarHBondContact O-N 2.83Å; V157-L161 HydrophobicContact CG1-CD1 4.08Å; V157-L161 HydrophobicContact CG1-CG 4.41Å; V157-L161 WeakPolarHBondContact O-CG 3.42Å; V157-L161 PolarHBondContact O-N 3.25Å; V157-R571 HydrophobicContact CG2-CB 4.1Å
158	Y	98.3	Very high	98	Very high	14 Å²	14	41 Å²	41	6%	0.055	22%	0.218	C	C	.	.	H	α-helix	trans	-65.4	-40.4	178	-62.6	-34.1	0	0	0	112	C133 L136 A150 N154 E155 L161 G162 P175	C133-Y158 HydrophobicContact CB-CD1 4.32Å; C133-Y158 HydrophobicContact CB-CE1 3.98Å; L136-Y158 HydrophobicContact CB-CE1 4.28Å; L136-Y158 WeakPolarHBondContact CB-OH 3.36Å; L136-Y158 HydrophobicContact CD1-CE1 4.15Å; A150-Y158 WeakPolarHBondContact O-CE2 3.12Å; N154-Y158 HydrophobicContact CB-CD2 3.91Å; N154-Y158 HydrophobicContact CB-CE1 4.25Å; N154-Y158 HydrophobicContact CB-CE2 3.53Å; N154-Y158 HydrophobicContact CB-CG 4.44Å; N154-Y158 WeakPolarHBondContact O-CD2 3.41Å; N154-Y158 PolarHBondContact O-N 3.36Å; E155-Y158 PolarHBondContact O-N 2.83Å; Y158-L161 PolarHBondContact O-N 3.48Å; Y158-G162 PolarHBondContact O-N 3.45Å; Y158-P175 HydrophobicContact CD1-CG 3.76Å; Y158-P175 HydrophobicContact CD2-CB 4.46Å; Y158-P175 HydrophobicContact CD2-CG 3.46Å; Y158-P175 VanDerWaalsContact CD2-CG 3.46Å; Y158-P175 HydrophobicContact CE1-CB 4.47Å; Y158-P175 HydrophobicContact CE1-CG 3.69Å; Y158-P175 HydrophobicContact CE2-CB 3.92Å; Y158-P175 HydrophobicContact CE2-CG 3.35Å; Y158-P175 HydrophobicContact CG-CG 3.65Å; Y158-P175 VanDerWaalsContact CZ-CG 3.48Å
159	N	98	Very high	98	Very high	96 Å²	96	38.2 Å²	38.2	51%	0.513	20%	0.202	S	C	.	.	H	α-helix	trans	-65.3	-40.2	174.8	-72.8	-16.9	0	0	0	111.7	E155 S163	E155-N159 VanDerWaalsContact CG-ND2 3.34Å; E155-N159 WeakPolarHBondContact CG-ND2 3.41Å; E155-N159 VanDerWaalsContact O-CB 3.24Å; E155-N159 WeakPolarHBondContact O-CB 3.32Å; E155-N159 PolarHBondContact O-N 2.95Å; E155-N159 PolarHBondContact O-ND2 3.19Å; N159-S163 VanDerWaalsContact O-CB 3.24Å; N159-S163 WeakPolarHBondContact O-CB 3.16Å; N159-S163 PolarHBondContact O-N 3.35Å; N159-S163 PolarHBondContact O-OG 3.47Å
160	F	98.4	Very high	98	Very high	4 Å²	4	35.7 Å²	35.7	2%	0.018	19%	0.193	C	C	.	.	H	α-helix	trans	-59.5	-52.3	173.1	164.8	-104	0	0	0	111.7	V114 L115 M118 E156 V157 S163 A164 V563 V565 L572	V114-F160 HydrophobicContact CB-CE1 4.35Å; V114-F160 HydrophobicContact CB-CZ 4.18Å; V114-F160 HydrophobicContact CG1-CE1 4.15Å; V114-F160 HydrophobicContact CG1-CE2 4.4Å; V114-F160 HydrophobicContact CG1-CZ 3.64Å; L115-F160 HydrophobicContact CD2-CE2 4.27Å; L115-F160 HydrophobicContact CD2-CZ 3.96Å; L115-F160 HydrophobicContact CG-CZ 3.98Å; M118-F160 HydrophobicContact SD-CE2 3.77Å; M118-F160 HydrophobicContact SD-CZ 4.01Å; E156-F160 WeakPolarHBondContact O-CB 3.36Å; E156-F160 PolarHBondContact O-N 3.12Å; V157-F160 PolarHBondContact O-N 2.83Å; F160-S163 PolarHBondContact O-OG 3.24Å; F160-S163 VanDerWaalsContact O-OG 3.11Å; F160-A164 WeakPolarHBondContact O-CB 3.38Å; F160-A164 PolarHBondContact O-N 3.24Å; F160-V563 HydrophobicContact CD2-CG1 3.6Å; F160-V563 HydrophobicContact CE2-CG1 3.56Å; F160-V565 HydrophobicContact CD2-CG2 3.92Å; F160-V565 HydrophobicContact CE2-CG2 3.76Å; F160-L572 HydrophobicContact CB-CD1 3.42Å; F160-L572 VanDerWaalsContact CB-CD1 3.42Å; F160-L572 HydrophobicContact CD1-CD1 4.1Å; F160-L572 HydrophobicContact CD1-CD2 3.69Å; F160-L572 HydrophobicContact CD2-CD1 4.09Å; F160-L572 HydrophobicContact CE1-CD2 4.06Å; F160-L572 HydrophobicContact CG-CD1 3.6Å; F160-L572 HydrophobicContact CG-CD2 4.05Å; F160-L572 HydrophobicContact CG-CG 4.49Å
161	L	98.5	Very high	98	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-65.6	-43.2	-178.4	-67.3	175.9	0	0	0	112	D107 A110 Q111 V114 I131 V157 Y158 A164 A165 F172	D107-L161 HydrophobicContact CB-CD1 3.63Å; A110-L161 HydrophobicContact CB-CD2 3.91Å; Q111-L161 HydrophobicContact CG-CD1 4.41Å; Q111-L161 HydrophobicContact CG-CD2 4.21Å; Q111-L161 HydrophobicContact CG-CG 4.49Å; V114-L161 HydrophobicContact CG2-CD2 4.44Å; I131-L161 HydrophobicContact CD1-CD2 4.33Å; I131-L161 HydrophobicContact CG2-CB 4.37Å; I131-L161 HydrophobicContact CG2-CD1 4.19Å; V157-L161 HydrophobicContact CG1-CD1 4.08Å; V157-L161 HydrophobicContact CG1-CG 4.41Å; V157-L161 WeakPolarHBondContact O-CG 3.42Å; V157-L161 PolarHBondContact O-N 3.25Å; Y158-L161 PolarHBondContact O-N 3.48Å; L161-A164 PolarHBondContact O-N 3.22Å; L161-A165 WeakPolarHBondContact O-CB 3.45Å; L161-A165 PolarHBondContact O-N 3.28Å; L161-F172 HydrophobicContact CB-CD2 4.4Å; L161-F172 HydrophobicContact CB-CE2 3.65Å; L161-F172 HydrophobicContact CB-CZ 4.38Å
162	G	98	Very high	98	Very high	6 Å²	6	30.7 Å²	30.7	6%	0.062	17%	0.171	C	C	.	.	H	α-helix	trans	-65.7	-41.4	179	0	0	0	0	0	113	Y158 A165 A166	Y158-G162 PolarHBondContact O-N 3.45Å; G162-A165 PolarHBondContact O-N 3.41Å; G162-A166 WeakPolarHBondContact O-CB 3.41Å; G162-A166 PolarHBondContact O-N 3.49Å
163	S	97.7	Very high	98.1	Very high	40 Å²	40	26 Å²	26	28%	0.28	14%	0.141	S	C	.	.	H	α-helix	trans	-71.2	-39.6	176.3	61.2	0	0	0	0	112.3	N159 F160 A165 A166 K167	N159-S163 VanDerWaalsContact O-CB 3.24Å; N159-S163 WeakPolarHBondContact O-CB 3.16Å; N159-S163 PolarHBondContact O-N 3.35Å; N159-S163 PolarHBondContact O-OG 3.47Å; F160-S163 PolarHBondContact O-OG 3.24Å; F160-S163 VanDerWaalsContact O-OG 3.11Å; S163-A165 VanDerWaalsContact C-N 3.32Å; S163-A166 PolarHBondContact O-N 3.21Å; S163-K167 WeakPolarHBondContact O-CB 3.48Å; S163-K167 PolarHBondContact O-N 3.47Å
164	A	97.9	Very high	98.1	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-63.3	-41.1	172.8	0	0	0	0	0	111.6	V114 F160 L161 A166 K167 Y168 V563	V114-A164 HydrophobicContact CG1-CB 3.56Å; F160-A164 WeakPolarHBondContact O-CB 3.38Å; F160-A164 PolarHBondContact O-N 3.24Å; L161-A164 PolarHBondContact O-N 3.22Å; A164-A166 PolarHBondContact O-N 3.23Å; A164-K167 PolarHBondContact O-N 3.21Å; A164-Y168 HydrophobicContact CB-CD2 4.25Å; A164-Y168 HydrophobicContact CB-CE2 4.44Å; A164-Y168 WeakPolarHBondContact O-CD2 3.46Å; A164-Y168 PolarHBondContact O-N 3.41Å; A164-V563 VanDerWaalsContact CA-CG2 3.42Å; A164-V563 HydrophobicContact CB-CG1 4.02Å; A164-V563 HydrophobicContact CB-CG2 3.89Å
165	A	98.2	Very high	98.2	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-62.4	-46	178.3	0	0	0	0	0	111.5	I131 L161 G162 S163 K167 Y168 G169 I170 F172	I131-A165 HydrophobicContact CD1-CB 4.26Å; L161-A165 WeakPolarHBondContact O-CB 3.45Å; L161-A165 PolarHBondContact O-N 3.28Å; G162-A165 PolarHBondContact O-N 3.41Å; S163-A165 VanDerWaalsContact C-N 3.32Å; A165-K167 PolarHBondContact O-N 3.01Å; A165-Y168 PolarHBondContact O-N 3.2Å; A165-G169 PolarHBondContact O-N 3.45Å; A165-G169 VanDerWaalsContact O-N 3.13Å; A165-I170 CarbonylContact C-O 3.39Å; A165-I170 HydrophobicContact CB-CB 3.92Å; A165-I170 HydrophobicContact CB-CG2 4.16Å; A165-I170 WeakPolarHBondContact CB-O 3.44Å; A165-I170 PolarHBondContact O-N 2.82Å; A165-F172 HydrophobicContact CB-CB 3.8Å; A165-F172 HydrophobicContact CB-CD2 4.28Å; A165-F172 HydrophobicContact CB-CG 4.35Å
166	A	97.7	Very high	98.1	Very high	8 Å²	8	19 Å²	19	7%	0.066	11%	0.106	C	C	.	.	H	α-helix	trans	-60.9	-42.4	174.8	0	0	0	0	0	112.7	G162 S163 A164 P555 L561	G162-A166 WeakPolarHBondContact O-CB 3.41Å; G162-A166 PolarHBondContact O-N 3.49Å; S163-A166 PolarHBondContact O-N 3.21Å; A164-A166 PolarHBondContact O-N 3.23Å; A166-P555 HydrophobicContact CB-CG 4.48Å; A166-P555 WeakPolarHBondContact O-CD 3.45Å; A166-L561 HydrophobicContact CB-CD1 3.56Å
167	K	97.7	Very high	98.2	Very high	47 Å²	47	16.2 Å²	16.2	20%	0.204	9%	0.093	C	C	.	.	H	α-helix	trans	-63.3	-48.4	178.9	-179.4	175.3	-176.4	63.4	0	112.4	S163 A164 A165 S559 L561 V563	S163-K167 WeakPolarHBondContact O-CB 3.48Å; S163-K167 PolarHBondContact O-N 3.47Å; A164-K167 PolarHBondContact O-N 3.21Å; A165-K167 PolarHBondContact O-N 3.01Å; K167-S559 PolarHBondContact NZ-O 3.35Å; K167-L561 HydrophobicContact CB-CB 4.12Å; K167-L561 VanDerWaalsContact CD-O 3.3Å; K167-L561 WeakPolarHBondContact CD-O 3.17Å; K167-L561 WeakPolarHBondContact CE-O 3.49Å; K167-L561 HydrophobicContact CG-CB 4.49Å; K167-L561 PolarHBondContact NZ-O 2.99Å; K167-V563 HydrophobicContact CB-CG2 3.94Å; K167-V563 HydrophobicContact CD-CG2 3.67Å; K167-V563 HydrophobicContact CG-CG2 4.42Å
168	Y	97.5	Very high	98.2	Very high	21 Å²	21	16.2 Å²	16.2	8%	0.082	9%	0.093	C	C	.	.	H	α-helix	trans	-95.5	9.2	-168.9	-62.9	-63.5	0	0	0	114	F117 M118 S123 Q124 V125 A164 A165 V563	F117-Y168 HydrophobicContact CD1-CD1 4.09Å; F117-Y168 HydrophobicContact CD1-CD2 4.37Å; F117-Y168 HydrophobicContact CD1-CE1 4.41Å; F117-Y168 HydrophobicContact CD1-CG 4.07Å; F117-Y168 AromaticContact CE1-CD1 3.6Å; F117-Y168 HydrophobicContact CE1-CD1 3.6Å; F117-Y168 HydrophobicContact CE1-CE1 4.17Å; F117-Y168 AromaticContact CE1-CG 3.82Å; F117-Y168 HydrophobicContact CE1-CG 3.82Å; M118-Y168 HydrophobicContact CG-CE2 3.63Å; M118-Y168 WeakPolarHBondContact CG-OH 3.32Å; S123-Y168 WeakPolarHBondContact O-CD1 3.41Å; Q124-Y168 VanDerWaalsContact CG-O 3.31Å; Q124-Y168 WeakPolarHBondContact CG-O 3.45Å; V125-Y168 PolarHBondContact N-O 2.84Å; A164-Y168 HydrophobicContact CB-CD2 4.25Å; A164-Y168 HydrophobicContact CB-CE2 4.44Å; A164-Y168 WeakPolarHBondContact O-CD2 3.46Å; A164-Y168 PolarHBondContact O-N 3.41Å; A165-Y168 PolarHBondContact O-N 3.2Å; Y168-V563 HydrophobicContact CE2-CG2 4.18Å
169	G	97.2	Very high	98.2	Very high	18 Å²	18	15.6 Å²	15.6	19%	0.186	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.7	31	177.1	0	0	0	0	0	114.4	A165	A165-G169 PolarHBondContact O-N 3.45Å; A165-G169 VanDerWaalsContact O-N 3.13Å
170	I	98.5	Very high	98.2	Very high	2 Å²	2	11.1 Å²	11.1	1%	0.01	7%	0.066	C	C	.	.			trans	-101	138.1	-178.8	-57.5	166.3	0	0	0	109.3	M105 V125 T129 I131 A165	M105-I170 HydrophobicContact CE-CD1 4.34Å; V125-I170 HydrophobicContact CG1-CD1 3.89Å; V125-I170 HydrophobicContact CG1-CG1 3.65Å; V125-I170 HydrophobicContact CG2-CG1 4.11Å; T129-I170 HydrophobicContact CG2-CB 4.47Å; T129-I170 HydrophobicContact CG2-CD1 4.36Å; T129-I170 HydrophobicContact CG2-CG1 4.02Å; T129-I170 HydrophobicContact CG2-CG2 3.84Å; T129-I170 WeakPolarHBondContact O-CG2 3.5Å; I131-I170 HydrophobicContact CD1-CD1 4.49Å; I131-I170 HydrophobicContact CD1-CG2 3.98Å; I131-I170 HydrophobicContact CG1-CG2 3.91Å; A165-I170 CarbonylContact C-O 3.39Å; A165-I170 HydrophobicContact CB-CB 3.92Å; A165-I170 HydrophobicContact CB-CG2 4.16Å; A165-I170 WeakPolarHBondContact CB-O 3.44Å; A165-I170 PolarHBondContact O-N 2.82Å
171	G	98.6	Very high	98.2	Very high	2 Å²	2	11.1 Å²	11.1	2%	0.021	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	133.9	170.8	0	0	0	0	0	112.3	T129 T130 I131 Y551	T129-G171 PolarHBondContact O-N 3.43Å; T130-G171 CarbonylContact C-O 3.43Å; T130-G171 VanDerWaalsContact CA-O 3.23Å; T130-G171 WeakPolarHBondContact CA-O 3.42Å; I131-G171 PolarHBondContact N-O 3.16Å; G171-Y551 WeakPolarHBondContact CA-OH 3.38Å
172	F	98.8	Very high	98.2	Very high	4 Å²	4	11.4 Å²	11.4	2%	0.018	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	116.2	-176.5	-177.3	-107.6	0	0	0	111.8	I131 C133 L161 A165 N174 Q552	I131-F172 HydrophobicContact CB-CD2 4Å; I131-F172 HydrophobicContact CG2-CD2 3.85Å; I131-F172 HydrophobicContact CG2-CE2 3.9Å; C133-F172 WeakPolarHBondContact SG-CE2 3.38Å; C133-F172 WeakPolarHBondContact SG-CZ 3.31Å; L161-F172 HydrophobicContact CB-CD2 4.4Å; L161-F172 HydrophobicContact CB-CE2 3.65Å; L161-F172 HydrophobicContact CB-CZ 4.38Å; A165-F172 HydrophobicContact CB-CB 3.8Å; A165-F172 HydrophobicContact CB-CD2 4.28Å; A165-F172 HydrophobicContact CB-CG 4.35Å; F172-N174 WeakPolarHBondContact CE1-OD1 3.44Å; F172-Q552 HydrophobicContact CB-CB 4.18Å; F172-Q552 HydrophobicContact CD1-CB 4.26Å; F172-Q552 PolarHBondContact N-O 2.78Å; F172-Q552 VanDerWaalsContact N-O 3.11Å; F172-Q552 PolarHBondContact O-N 3.38Å
173	W	98.8	Very high	98.3	Very high	10 Å²	10	11.2 Å²	11.2	4%	0.038	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	114.9	171.6	-71.5	93	0	0	0	109.9	F44 I131 H132 C133 I183 Y188 T550 Y551	F44-W173 HydrophobicContact CE1-CH2 4.45Å; F44-W173 HydrophobicContact CE1-CZ2 4.31Å; F44-W173 HydrophobicContact CE2-CH2 4.07Å; F44-W173 AromaticContact CE2-CZ2 3.56Å; F44-W173 HydrophobicContact CE2-CZ2 3.56Å; F44-W173 AromaticContact CZ-CH2 3.53Å; F44-W173 HydrophobicContact CZ-CH2 3.53Å; F44-W173 AromaticContact CZ-CZ2 3.39Å; F44-W173 HydrophobicContact CZ-CZ2 3.39Å; I131-W173 PolarHBondContact O-N 3.34Å; H132-W173 AromaticContact CE1-CD1 3.4Å; H132-W173 AromaticContact CE1-NE1 3.69Å; H132-W173 AromaticContact ND1-CD1 3.48Å; H132-W173 AromaticContact ND1-CG 3.82Å; C133-W173 WeakPolarHBondContact CB-O 3.43Å; C133-W173 PolarHBondContact N-O 3.37Å; C133-W173 PolarHBondContact SG-O 2.9Å; C133-W173 VanDerWaalsContact SG-O 3.33Å; W173-I183 HydrophobicContact CB-CD1 4.4Å; W173-I183 HydrophobicContact CD2-CD1 4.04Å; W173-I183 HydrophobicContact CD2-CG2 3.92Å; W173-I183 VanDerWaalsContact CE2-CG2 3.43Å; W173-I183 HydrophobicContact CE3-CD1 4.1Å; W173-I183 HydrophobicContact CE3-CG2 4.43Å; W173-I183 HydrophobicContact CG-CD1 4.21Å; W173-I183 HydrophobicContact CG-CG2 4.41Å; W173-I183 HydrophobicContact CH2-CG2 4.02Å; W173-I183 HydrophobicContact CZ2-CG2 3.49Å; W173-I183 VanDerWaalsContact CZ2-CG2 3.49Å; W173-I183 HydrophobicContact CZ3-CG2 4.47Å; W173-Y188 HydrophobicContact CZ2-CE2 4.1Å; W173-Y188 WeakPolarHBondContact CZ2-OH 3.39Å; W173-Y188 AromaticContact NE1-CE2 3.43Å; W173-Y188 AromaticContact NE1-CZ 3.54Å; W173-Y188 PolarHBondContact NE1-OH 2.95Å; W173-T550 WeakPolarHBondContact CZ3-OG1 3.43Å; W173-Y551 AromaticContact CD1-CD2 3.8Å; W173-Y551 AromaticContact CD2-CD2 3.79Å; W173-Y551 HydrophobicContact CD2-CD2 3.79Å; W173-Y551 HydrophobicContact CD2-CG 4.5Å; W173-Y551 AromaticContact CE2-CD2 3.49Å; W173-Y551 VanDerWaalsContact CE2-CD2 3.49Å; W173-Y551 HydrophobicContact CE3-CD2 4.47Å; W173-Y551 HydrophobicContact CG-CD2 4.01Å; W173-Y551 AromaticContact CZ2-CD2 4Å; W173-Y551 HydrophobicContact CZ2-CD2 4Å; W173-Y551 HydrophobicContact CZ2-CG 4.48Å; W173-Y551 AromaticContact NE1-CD2 3.43Å; W173-Y551 AromaticContact NE1-CE2 3.75Å
174	N	98.6	Very high	98.3	Very high	55 Å²	55	9.4 Å²	9.4	29%	0.294	5%	0.053	S	C	.	.			trans	-65.5	156.9	-176.2	-78.3	-82.3	0	0	0	112.5	F172 G176 S177 T550	F172-N174 WeakPolarHBondContact CE1-OD1 3.44Å; N174-G176 PolarHBondContact O-N 3.13Å; N174-S177 WeakPolarHBondContact O-CB 3.3Å; N174-S177 PolarHBondContact O-N 3.33Å; N174-S177 PolarHBondContact O-OG 3.4Å; N174-T550 WeakPolarHBondContact CB-O 3.3Å; N174-T550 PolarHBondContact N-O 2.83Å; N174-T550 PolarHBondContact ND2-O 3.09Å
175	P	98.4	Very high	98.4	Very high	8 Å²	8	9.5 Å²	9.5	5%	0.052	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	130.4	175.2	-24.5	32.2	0	0	0	112.3	C133 I137 L147 K151 Y158	C133-P175 HydrophobicContact CB-CB 4.19Å; C133-P175 HydrophobicContact CB-CG 3.79Å; I137-P175 HydrophobicContact CD1-CB 4.28Å; L147-P175 HydrophobicContact CD1-CB 3.9Å; L147-P175 WeakPolarHBondContact CD1-O 3.42Å; K151-P175 HydrophobicContact CG-CB 4.36Å; Y158-P175 HydrophobicContact CD1-CG 3.76Å; Y158-P175 HydrophobicContact CD2-CB 4.46Å; Y158-P175 HydrophobicContact CD2-CG 3.46Å; Y158-P175 VanDerWaalsContact CD2-CG 3.46Å; Y158-P175 HydrophobicContact CE1-CB 4.47Å; Y158-P175 HydrophobicContact CE1-CG 3.69Å; Y158-P175 HydrophobicContact CE2-CB 3.92Å; Y158-P175 HydrophobicContact CE2-CG 3.35Å; Y158-P175 HydrophobicContact CG-CG 3.65Å; Y158-P175 VanDerWaalsContact CZ-CG 3.48Å
176	G	97.7	Very high	98.4	Very high	4 Å²	4	9.7 Å²	9.7	4%	0.041	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.5	-3.5	-177.2	0	0	0	0	0	114.9	N174 G178 N453	N174-G176 PolarHBondContact O-N 3.13Å; G176-G178 VanDerWaalsContact C-N 3.27Å; G176-G178 PolarHBondContact O-N 3Å; G176-N453 PolarHBondContact O-ND2 3.37Å
177	S	98.4	Very high	98.4	Very high	2 Å²	2	10.1 Å²	10.1	1%	0.014	6%	0.055	C	C	.	.	S	Bend	trans	-59.1	-36.7	174.4	54.8	0	0	0	0	113.6	N174 I183 S427 E428 T550	N174-S177 WeakPolarHBondContact O-CB 3.3Å; N174-S177 PolarHBondContact O-N 3.33Å; N174-S177 PolarHBondContact O-OG 3.4Å; S177-I183 WeakPolarHBondContact OG-CD1 3.22Å; S177-S427 CarbonylContact O-C 3.56Å; S177-S427 WeakPolarHBondContact O-CA 3.47Å; S177-E428 PolarHBondContact O-N 3.45Å; S177-T550 VanDerWaalsContact CB-OG1 3.27Å; S177-T550 WeakPolarHBondContact CB-OG1 3.39Å
178	G	98.4	Very high	98.5	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	5%	0.046	C	C	.	.	B	Isolated β-bridge	trans	134.4	166	-167.9	0	0	0	0	0	113.8	G176 I183 G426 N453	G176-G178 VanDerWaalsContact C-N 3.27Å; G176-G178 PolarHBondContact O-N 3Å; G178-I183 WeakPolarHBondContact O-CD1 3.46Å; G178-G426 CarbonylContact C-O 3.58Å; G178-G426 WeakPolarHBondContact CA-O 3.1Å; G178-N453 CarbonylContact C-O 3.55Å; G178-N453 VanDerWaalsContact CA-O 3.29Å; G178-N453 WeakPolarHBondContact CA-O 3.27Å; G178-N453 PolarHBondContact N-O 2.95Å
179	I	98.8	Very high	98.5	Very high	1 Å²	1	6.9 Å²	6.9	1%	0.005	4%	0.042	C	C	.	.			trans	-75.4	135	177.5	-54.9	170.1	0	0	0	109.1	D134 H181 Q182 I183 C392 T424 G426	D134-I179 VanDerWaalsContact OD2-CA 3.31Å; D134-I179 WeakPolarHBondContact OD2-CA 3.39Å; D134-I179 WeakPolarHBondContact OD2-CG2 3.4Å; I179-H181 VanDerWaalsContact C-N 3.26Å; I179-H181 PolarHBondContact O-N 3.33Å; I179-Q182 PolarHBondContact O-N 3.33Å; I179-I183 PolarHBondContact O-N 3.12Å; I179-I183 VanDerWaalsContact O-N 3.1Å; I179-C392 HydrophobicContact CB-CB 4.46Å; I179-C392 HydrophobicContact CG2-CB 3.66Å; I179-T424 HydrophobicContact CD1-CG2 4.22Å; I179-G426 PolarHBondContact N-O 2.99Å
180	I	98.8	Very high	98.6	Very high	1 Å²	1	6 Å²	6	1%	0.005	3%	0.033	C	C	.	.	H	α-helix	trans	-41.5	-49.7	-173.7	177.9	166.1	0	0	0	113.5	A104 Q106 H132 D134 I183 I184	A104-I180 HydrophobicContact CB-CD1 3.99Å; A104-I180 HydrophobicContact CB-CG1 4.45Å; Q106-I180 HydrophobicContact CB-CB 4.34Å; Q106-I180 HydrophobicContact CB-CD1 4.02Å; Q106-I180 HydrophobicContact CB-CG2 4.2Å; Q106-I180 HydrophobicContact CG-CD1 4.45Å; H132-I180 HydrophobicContact CB-CB 3.85Å; H132-I180 HydrophobicContact CB-CG1 4.26Å; D134-I180 WeakPolarHBondContact OD2-CG2 3.43Å; D134-I180 PolarHBondContact OD2-N 3.42Å; I180-I183 PolarHBondContact O-N 3.31Å; I180-I184 HydrophobicContact CD1-CD1 4.27Å; I180-I184 HydrophobicContact CG1-CD1 3.57Å; I180-I184 HydrophobicContact CG1-CG1 4.33Å; I180-I184 WeakPolarHBondContact O-CB 3.39Å; I180-I184 WeakPolarHBondContact O-CG1 3.29Å; I180-I184 PolarHBondContact O-N 3.33Å
181	H	98.8	Very high	98.6	Very high	5 Å²	5	6 Å²	6	2%	0.023	3%	0.032	C	C	.	.	H	α-helix	trans	-69.4	-37.9	-174.6	-56.4	-45	0	0	0	113.1	I179 I184 L185 D199 H201 T202 N204 C392	I179-H181 VanDerWaalsContact C-N 3.26Å; I179-H181 PolarHBondContact O-N 3.33Å; H181-I184 PolarHBondContact O-N 2.68Å; H181-L185 WeakPolarHBondContact O-CB 3.25Å; H181-L185 PolarHBondContact O-N 3.02Å; H181-D199 IonicContact CD2-OD1 2.65Å; H181-D199 IonicContact CE1-OD1 3.71Å; H181-D199 PolarHBondContact CE1-OD1 3.39Å; H181-D199 IonicContact NE2-OD1 3.63Å; H181-D199 PolarHBondContact NE2-OD1 3.39Å; H181-H201 WeakPolarHBondContact NE2-CB 3.09Å; H181-T202 VanDerWaalsContact CE1-CA 3.44Å; H181-T202 WeakPolarHBondContact CE1-CA 3.48Å; H181-T202 PolarHBondContact CE1-N 3.19Å; H181-N204 HydrophobicContact CB-CB 3.93Å; H181-N204 PolarHBondContact O-OD1 3.28Å; H181-C392 HydrophobicContact CB-CB 3.94Å
182	Q	98.5	Very high	98.6	Very high	6 Å²	6	5.9 Å²	5.9	3%	0.028	3%	0.031	C	C	.	.	H	α-helix	trans	-66.7	-46.4	176.9	-172.8	69.1	28.3	0	0	109.9	I179 I184 L185 E186 G426 I430	I179-Q182 PolarHBondContact O-N 3.33Å; Q182-I184 VanDerWaalsContact C-N 3.28Å; Q182-I184 PolarHBondContact O-N 2.75Å; Q182-L185 PolarHBondContact O-N 3.24Å; Q182-E186 VanDerWaalsContact CG-OE1 3.32Å; Q182-E186 WeakPolarHBondContact CG-OE1 3.29Å; Q182-E186 PolarHBondContact NE2-OE1 2.99Å; Q182-E186 WeakPolarHBondContact O-CB 3.23Å; Q182-E186 VanDerWaalsContact O-CG 3.26Å; Q182-E186 WeakPolarHBondContact O-CG 3.35Å; Q182-E186 PolarHBondContact O-N 3.15Å; Q182-G426 WeakPolarHBondContact CB-O 3.33Å; Q182-I430 HydrophobicContact CG-CG1 4.44Å
183	I	98.6	Very high	98.6	Very high	1 Å²	1	5.7 Å²	5.7	1%	0.005	3%	0.03	C	C	.	.	H	α-helix	trans	-61	-40.6	176	-63.6	178.9	0	0	0	110.5	W173 S177 G178 I179 I180 E186 N187 Y188	W173-I183 HydrophobicContact CB-CD1 4.4Å; W173-I183 HydrophobicContact CD2-CD1 4.04Å; W173-I183 HydrophobicContact CD2-CG2 3.92Å; W173-I183 VanDerWaalsContact CE2-CG2 3.43Å; W173-I183 HydrophobicContact CE3-CD1 4.1Å; W173-I183 HydrophobicContact CE3-CG2 4.43Å; W173-I183 HydrophobicContact CG-CD1 4.21Å; W173-I183 HydrophobicContact CG-CG2 4.41Å; W173-I183 HydrophobicContact CH2-CG2 4.02Å; W173-I183 HydrophobicContact CZ2-CG2 3.49Å; W173-I183 VanDerWaalsContact CZ2-CG2 3.49Å; W173-I183 HydrophobicContact CZ3-CG2 4.47Å; S177-I183 WeakPolarHBondContact OG-CD1 3.22Å; G178-I183 WeakPolarHBondContact O-CD1 3.46Å; I179-I183 PolarHBondContact O-N 3.12Å; I179-I183 VanDerWaalsContact O-N 3.1Å; I180-I183 PolarHBondContact O-N 3.31Å; I183-E186 PolarHBondContact O-N 2.78Å; I183-N187 WeakPolarHBondContact O-CB 3.29Å; I183-N187 PolarHBondContact O-N 3.43Å; I183-N187 PolarHBondContact O-ND2 3.07Å; I183-Y188 HydrophobicContact CG2-CD2 4.36Å; I183-Y188 HydrophobicContact CG2-CE2 3.87Å
184	I	98.8	Very high	98.6	Very high	2 Å²	2	5.2 Å²	5.2	1%	0.01	3%	0.029	C	C	.	.	H	α-helix	trans	-59.1	-52.1	174.5	-73.3	165.9	0	0	0	110.9	A104 I180 H181 Q182 E186 N187 Y188 A189 L195	A104-I184 HydrophobicContact CB-CD1 3.61Å; A104-I184 HydrophobicContact CB-CG1 4.32Å; I180-I184 HydrophobicContact CD1-CD1 4.27Å; I180-I184 HydrophobicContact CG1-CD1 3.57Å; I180-I184 HydrophobicContact CG1-CG1 4.33Å; I180-I184 WeakPolarHBondContact O-CB 3.39Å; I180-I184 WeakPolarHBondContact O-CG1 3.29Å; I180-I184 PolarHBondContact O-N 3.33Å; H181-I184 PolarHBondContact O-N 2.68Å; Q182-I184 VanDerWaalsContact C-N 3.28Å; Q182-I184 PolarHBondContact O-N 2.75Å; I184-E186 VanDerWaalsContact C-N 3.27Å; I184-E186 PolarHBondContact O-N 2.63Å; I184-N187 PolarHBondContact O-N 3.45Å; I184-Y188 HydrophobicContact CG1-CD2 4.25Å; I184-Y188 CarbonylContact O-C 3.47Å; I184-Y188 WeakPolarHBondContact O-CA 3.35Å; I184-Y188 PolarHBondContact O-N 3.12Å; I184-A189 HydrophobicContact CG2-CB 4.11Å; I184-A189 PolarHBondContact O-N 3.06Å; I184-L195 HydrophobicContact CD1-CD1 4.35Å; I184-L195 HydrophobicContact CG2-CD1 3.95Å
185	L	98.7	Very high	98.6	Very high	2 Å²	2	2.6 Å²	2.6	1%	0.01	2%	0.015	C	C	.	.	H	α-helix	trans	-59.7	-41.5	-178.6	-165.1	67.2	0	0	0	111.2	H181 Q182 A189 L208 T285 Y313 R319	H181-L185 WeakPolarHBondContact O-CB 3.25Å; H181-L185 PolarHBondContact O-N 3.02Å; Q182-L185 PolarHBondContact O-N 3.24Å; L185-A189 HydrophobicContact CD1-CB 4.4Å; L185-L208 HydrophobicContact CD1-CB 3.75Å; L185-L208 HydrophobicContact CD1-CD2 4.39Å; L185-T285 HydrophobicContact CD2-CG2 4.13Å; L185-Y313 HydrophobicContact CG-CE1 4.02Å; L185-R319 PolarHBondContact O-NH1 2.99Å; L185-R319 PolarHBondContact O-NH2 3.45Å
186	E	98.4	Very high	98.6	Very high	5 Å²	5	2.2 Å²	2.2	2%	0.023	1%	0.012	C	C	.	.	H	α-helix	trans	-70.5	-31.7	-178.8	-73.8	168.7	-179.7	0	0	114.3	Q182 I183 I184 Y313 R319 S427 I430	Q182-E186 VanDerWaalsContact CG-OE1 3.32Å; Q182-E186 WeakPolarHBondContact CG-OE1 3.29Å; Q182-E186 PolarHBondContact NE2-OE1 2.99Å; Q182-E186 WeakPolarHBondContact O-CB 3.23Å; Q182-E186 VanDerWaalsContact O-CG 3.26Å; Q182-E186 WeakPolarHBondContact O-CG 3.35Å; Q182-E186 PolarHBondContact O-N 3.15Å; I183-E186 PolarHBondContact O-N 2.78Å; I184-E186 VanDerWaalsContact C-N 3.27Å; I184-E186 PolarHBondContact O-N 2.63Å; E186-Y313 WeakPolarHBondContact CG-OH 3.28Å; E186-R319 PolarHBondContact O-NE 2.89Å; E186-R319 PolarHBondContact O-NH2 3.38Å; E186-R319 VanDerWaalsContact O-NH2 3.08Å; E186-S427 VanDerWaalsContact CD-OG 3.27Å; E186-S427 PolarHBondContact OE1-OG 2.88Å; E186-S427 VanDerWaalsContact OE2-CB 3.26Å; E186-S427 WeakPolarHBondContact OE2-CB 3.16Å; E186-S427 PolarHBondContact OE2-OG 3.39Å; E186-I430 WeakPolarHBondContact OE1-CG1 3.5Å
187	N	98.5	Very high	98.7	Very high	16 Å²	16	2 Å²	2	9%	0.086	1%	0.01	C	C	.	.	H	α-helix	trans	-127.1	-28.1	-166.6	-62	-89.8	0	0	0	115.4	S42 F44 I183 I184	S42-N187 WeakPolarHBondContact CB-O 3.47Å; F44-N187 HydrophobicContact CE2-CB 3.97Å; I183-N187 WeakPolarHBondContact O-CB 3.29Å; I183-N187 PolarHBondContact O-N 3.43Å; I183-N187 PolarHBondContact O-ND2 3.07Å; I184-N187 PolarHBondContact O-N 3.45Å
188	Y	98.7	Very high	98.7	Very high	1 Å²	1	1.9 Å²	1.9	0%	0.004	1%	0.01	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.1	-28.4	-161.4	-59.7	-54.7	0	0	0	115	F44 R102 T130 W173 I183 I184 F190 Y551	F44-Y188 AromaticContact CD2-CE1 3.49Å; F44-Y188 HydrophobicContact CD2-CE1 3.49Å; F44-Y188 VanDerWaalsContact CD2-CE1 3.49Å; F44-Y188 AromaticContact CD2-CZ 3.68Å; F44-Y188 VanDerWaalsContact CD2-OH 3.31Å; F44-Y188 WeakPolarHBondContact CD2-OH 3.25Å; F44-Y188 HydrophobicContact CE2-CE1 4.08Å; F44-Y188 AromaticContact CE2-CZ 3.91Å; F44-Y188 HydrophobicContact CG-CE1 4.38Å; R102-Y188 VanDerWaalsContact CZ-CG 3.48Å; R102-Y188 VanDerWaalsContact NH2-CE1 3.34Å; T130-Y188 HydrophobicContact CG2-CE1 4.33Å; T130-Y188 HydrophobicContact CG2-CE2 4.11Å; W173-Y188 HydrophobicContact CZ2-CE2 4.1Å; W173-Y188 WeakPolarHBondContact CZ2-OH 3.39Å; W173-Y188 AromaticContact NE1-CE2 3.43Å; W173-Y188 AromaticContact NE1-CZ 3.54Å; W173-Y188 PolarHBondContact NE1-OH 2.95Å; I183-Y188 HydrophobicContact CG2-CD2 4.36Å; I183-Y188 HydrophobicContact CG2-CE2 3.87Å; I184-Y188 HydrophobicContact CG1-CD2 4.25Å; I184-Y188 CarbonylContact O-C 3.47Å; I184-Y188 WeakPolarHBondContact O-CA 3.35Å; I184-Y188 PolarHBondContact O-N 3.12Å; Y188-F190 WeakPolarHBondContact O-CD1 3.32Å; Y188-Y551 WeakPolarHBondContact OH-CE2 3.21Å
189	A	98.8	Very high	98.7	Very high	0 Å²	0	2.3 Å²	2.3	0%	0	1%	0.012	C	C	.	.			trans	-70.2	144.1	174.3	0	0	0	0	0	110.7	I184 L185 L193 L208 R319	I184-A189 HydrophobicContact CG2-CB 4.11Å; I184-A189 PolarHBondContact O-N 3.06Å; L185-A189 HydrophobicContact CD1-CB 4.4Å; A189-L193 HydrophobicContact CB-CD2 4.47Å; A189-L208 HydrophobicContact CB-CB 4.16Å; A189-L208 HydrophobicContact CB-CD2 3.94Å; A189-L208 VanDerWaalsContact O-CD2 3.31Å; A189-L208 WeakPolarHBondContact O-CD2 3.33Å; A189-R319 PolarHBondContact O-NH1 2.76Å
190	F	98.6	Very high	98.6	Very high	0 Å²	0	2.5 Å²	2.5	0%	0	1%	0.013	C	C	.	.			trans	-155.7	158.1	170.7	57.6	-97.4	0	0	0	110.3	M41 L50 P51 H52 Y188 G192 L193 L208 I322	M41-F190 HydrophobicContact CG-CE1 4.24Å; L50-F190 HydrophobicContact CD2-CD1 3.65Å; L50-F190 HydrophobicContact CD2-CD2 3.58Å; L50-F190 HydrophobicContact CD2-CE1 3.57Å; L50-F190 HydrophobicContact CD2-CE2 3.52Å; L50-F190 HydrophobicContact CD2-CG 3.66Å; L50-F190 HydrophobicContact CD2-CZ 3.52Å; P51-F190 HydrophobicContact CG-CE2 4.24Å; P51-F190 HydrophobicContact CG-CZ 4.31Å; H52-F190 AromaticContact CE1-CD2 3.89Å; Y188-F190 WeakPolarHBondContact O-CD1 3.32Å; F190-G192 PolarHBondContact O-N 2.88Å; F190-L193 HydrophobicContact CD1-CB 4.25Å; F190-L193 HydrophobicContact CD1-CD1 4.4Å; F190-L193 HydrophobicContact CD1-CD2 4.39Å; F190-L193 HydrophobicContact CD2-CB 3.84Å; F190-L193 HydrophobicContact CE1-CB 4.1Å; F190-L193 HydrophobicContact CE1-CD1 3.61Å; F190-L193 HydrophobicContact CE1-CD2 4.36Å; F190-L193 HydrophobicContact CE1-CG 4.24Å; F190-L193 HydrophobicContact CE2-CB 3.65Å; F190-L193 HydrophobicContact CE2-CD1 4.27Å; F190-L193 HydrophobicContact CG-CB 4.13Å; F190-L193 HydrophobicContact CZ-CB 3.79Å; F190-L193 HydrophobicContact CZ-CD1 3.52Å; F190-L193 HydrophobicContact CZ-CG 4.2Å; F190-L193 WeakPolarHBondContact O-CB 3.44Å; F190-L193 PolarHBondContact O-N 3.11Å; F190-L193 VanDerWaalsContact O-N 3.16Å; F190-L208 CarbonylContact C-O 3.49Å; F190-I322 HydrophobicContact CB-CG2 3.8Å
191	P	98.8	Very high	98.5	Very high	0 Å²	0	2.9 Å²	2.9	0%	0	2%	0.015	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	127.4	178.8	-26.6	35.2	0	0	0	112.4	H52 L208 Y306 L314 C326 L333	H52-P191 PolarHBondContact CE1-O 3.32Å; H52-P191 PolarHBondContact NE2-O 3.34Å; P191-L208 VanDerWaalsContact CA-O 3.3Å; P191-L208 WeakPolarHBondContact CA-O 3.31Å; P191-L208 WeakPolarHBondContact CD-O 3.38Å; P191-Y306 HydrophobicContact CB-CD2 4.01Å; P191-Y306 HydrophobicContact CB-CG 4.19Å; P191-Y306 HydrophobicContact CG-CD2 3.4Å; P191-Y306 HydrophobicContact CG-CE2 3.98Å; P191-Y306 HydrophobicContact CG-CG 4.08Å; P191-L314 HydrophobicContact CG-CD1 4.41Å; P191-C326 HydrophobicContact CG-CB 4.5Å; P191-L333 VanDerWaalsContact C-CD2 3.47Å; P191-L333 HydrophobicContact CB-CD1 3.79Å; P191-L333 HydrophobicContact CB-CD2 3.91Å; P191-L333 HydrophobicContact CB-CG 4.31Å; P191-L333 WeakPolarHBondContact O-CD2 3.47Å
192	G	98.5	Very high	98.5	Very high	0 Å²	0	2.7 Å²	2.7	0%	0	1%	0.014	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.6	1	-179	0	0	0	0	0	115.1	H80 F190 G209	H80-G192 PolarHBondContact CE1-O 3.49Å; H80-G192 VanDerWaalsContact CE1-O 3.28Å; F190-G192 PolarHBondContact O-N 2.88Å; G192-G209 PolarHBondContact N-O 2.85Å
193	L	98.7	Very high	98.6	Very high	0 Å²	0	2.5 Å²	2.5	0%	0	1%	0.013	C	C	.	.			trans	-61.7	139.8	174	171.4	64.1	0	0	0	111.7	D101 R102 A189 F190 L195 G210 L211	D101-L193 HydrophobicContact CB-CD1 3.74Å; R102-L193 HydrophobicContact CG-CD1 4.08Å; A189-L193 HydrophobicContact CB-CD2 4.47Å; F190-L193 HydrophobicContact CD1-CB 4.25Å; F190-L193 HydrophobicContact CD1-CD1 4.4Å; F190-L193 HydrophobicContact CD1-CD2 4.39Å; F190-L193 HydrophobicContact CD2-CB 3.84Å; F190-L193 HydrophobicContact CE1-CB 4.1Å; F190-L193 HydrophobicContact CE1-CD1 3.61Å; F190-L193 HydrophobicContact CE1-CD2 4.36Å; F190-L193 HydrophobicContact CE1-CG 4.24Å; F190-L193 HydrophobicContact CE2-CB 3.65Å; F190-L193 HydrophobicContact CE2-CD1 4.27Å; F190-L193 HydrophobicContact CG-CB 4.13Å; F190-L193 HydrophobicContact CZ-CB 3.79Å; F190-L193 HydrophobicContact CZ-CD1 3.52Å; F190-L193 HydrophobicContact CZ-CG 4.2Å; F190-L193 WeakPolarHBondContact O-CB 3.44Å; F190-L193 PolarHBondContact O-N 3.11Å; F190-L193 VanDerWaalsContact O-N 3.16Å; L193-L195 HydrophobicContact CD1-CB 4.21Å; L193-L195 HydrophobicContact CD2-CB 3.82Å; L193-L195 HydrophobicContact CD2-CD1 4.07Å; L193-L195 HydrophobicContact CG-CB 3.87Å; L193-G210 CarbonylContact O-C 3.52Å; L193-G210 VanDerWaalsContact O-CA 3.31Å; L193-G210 WeakPolarHBondContact O-CA 3.46Å; L193-L211 PolarHBondContact O-N 2.93Å
194	L	98.9	Very high	98.6	Very high	0 Å²	0	2.7 Å²	2.7	0%	0	1%	0.014	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	110.1	155.7	-179.4	61.8	0	0	0	109.7	H80 L98 P100 D101 L211 I213	H80-L194 HydrophobicContact CB-CB 4.39Å; H80-L194 HydrophobicContact CB-CD2 3.49Å; H80-L194 VanDerWaalsContact CB-CD2 3.49Å; L98-L194 HydrophobicContact CB-CD2 4.16Å; P100-L194 CarbonylContact C-O 3.6Å; P100-L194 HydrophobicContact CB-CD2 4.32Å; P100-L194 HydrophobicContact CB-CG 4.1Å; P100-L194 HydrophobicContact CG-CD2 4.07Å; P100-L194 HydrophobicContact CG-CG 4.25Å; D101-L194 PolarHBondContact N-O 2.91Å; D101-L194 PolarHBondContact OD2-N 3.27Å; L194-L211 WeakPolarHBondContact CA-O 3.49Å; L194-L211 HydrophobicContact CD1-CB 3.99Å; L194-I213 HydrophobicContact CD1-CD1 4.32Å
195	L	98.9	Very high	98.6	Very high	0 Å²	0	2.6 Å²	2.6	0%	0	1%	0.014	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	136.8	178.6	179.5	154.9	0	0	0	109.7	R102 I184 L193 T202 L211 C212 I213	R102-L195 HydrophobicContact CG-CB 4.1Å; R102-L195 HydrophobicContact CG-CD1 3.63Å; R102-L195 HydrophobicContact CG-CG 3.81Å; I184-L195 HydrophobicContact CD1-CD1 4.35Å; I184-L195 HydrophobicContact CG2-CD1 3.95Å; L193-L195 HydrophobicContact CD1-CB 4.21Å; L193-L195 HydrophobicContact CD2-CB 3.82Å; L193-L195 HydrophobicContact CD2-CD1 4.07Å; L193-L195 HydrophobicContact CG-CB 3.87Å; L195-T202 HydrophobicContact CD2-CG2 3.28Å; L195-L211 PolarHBondContact N-O 3.09Å; L195-C212 HydrophobicContact CB-CB 4.43Å; L195-C212 HydrophobicContact CD2-CB 4.32Å; L195-C212 CarbonylContact O-C 3.36Å; L195-C212 VanDerWaalsContact O-CA 3.32Å; L195-C212 WeakPolarHBondContact O-CA 3.49Å; L195-I213 PolarHBondContact O-N 2.93Å
196	I	98.9	Very high	98.6	Very high	0 Å²	0	2.5 Å²	2.5	0%	0	1%	0.014	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	140.4	163.6	61	162.9	0	0	0	110.6	P100 R102 V103 A104 I213 V215 V223 W229	P100-I196 HydrophobicContact CB-CG1 4.25Å; P100-I196 HydrophobicContact CB-CG2 4.29Å; P100-I196 HydrophobicContact CG-CG1 4.32Å; P100-I196 HydrophobicContact CG-CG2 3.91Å; R102-I196 PolarHBondContact O-N 3.2Å; V103-I196 WeakPolarHBondContact CA-O 3.06Å; V103-I196 HydrophobicContact CG2-CD1 4.13Å; V103-I196 HydrophobicContact CG2-CG1 3.94Å; A104-I196 PolarHBondContact N-O 3.37Å; I196-I213 WeakPolarHBondContact CA-O 3.29Å; I196-V215 HydrophobicContact CB-CG1 4.21Å; I196-V215 HydrophobicContact CB-CG2 4.03Å; I196-V215 HydrophobicContact CD1-CG2 4.18Å; I196-V215 HydrophobicContact CG2-CG1 4.19Å; I196-V223 HydrophobicContact CD1-CB 3.89Å; I196-V223 HydrophobicContact CD1-CG2 3.37Å; I196-V223 HydrophobicContact CG1-CG2 4.33Å; I196-W229 HydrophobicContact CG2-CD2 4.03Å; I196-W229 HydrophobicContact CG2-CE3 3.79Å; I196-W229 HydrophobicContact CG2-CH2 3.89Å; I196-W229 HydrophobicContact CG2-CZ2 4.12Å; I196-W229 HydrophobicContact CG2-CZ3 3.72Å
197	G	98.8	Very high	98.6	Very high	0 Å²	0	2.3 Å²	2.3	0%	0	1%	0.013	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	137.8	-178.1	0	0	0	0	0	111.5	A104 D199 T202 I213 G214 V215	A104-G197 CarbonylContact O-C 3.35Å; A104-G197 WeakPolarHBondContact O-CA 3.41Å; G197-D199 PolarHBondContact O-N 3.45Å; G197-T202 WeakPolarHBondContact CA-OG1 3.32Å; G197-T202 PolarHBondContact O-OG1 2.93Å; G197-I213 PolarHBondContact N-O 3.4Å; G197-G214 CarbonylContact O-C 3.57Å; G197-G214 WeakPolarHBondContact O-CA 3.5Å; G197-V215 PolarHBondContact O-N 3.12Å
198	T	98.6	Very high	98.6	Very high	0 Å²	0	1.5 Å²	1.5	0%	0	1%	0.009	C	C	.	.	S	Bend	trans	-76.9	44.7	177.6	61.1	0	0	0	0	112.7	A104 M105 T109 V215 A220 S677	A104-T198 PolarHBondContact O-N 3.39Å; M105-T198 VanDerWaalsContact CA-OG1 3.25Å; M105-T198 WeakPolarHBondContact CA-OG1 3.38Å; M105-T198 WeakPolarHBondContact CB-OG1 3.36Å; M105-T198 HydrophobicContact CG-CG2 3.88Å; T109-T198 WeakPolarHBondContact CB-O 3.38Å; T109-T198 WeakPolarHBondContact CG2-O 3.17Å; T109-T198 WeakPolarHBondContact OG1-CB 3.48Å; T109-T198 PolarHBondContact OG1-O 2.86Å; T109-T198 PolarHBondContact OG1-OG1 2.86Å; T198-V215 WeakPolarHBondContact CA-O 3.36Å; T198-A220 HydrophobicContact CG2-CB 3.48Å; T198-A220 VanDerWaalsContact CG2-CB 3.48Å; T198-S677 PolarHBondContact O-OG 2.88Å
199	D	98.4	Very high	98.6	Very high	8 Å²	8	1.6 Å²	1.6	4%	0.043	1%	0.009	C	C	.	.	S	Bend	trans	-152.4	143.3	-177.5	-167.4	-87.3	0	0	0	110.8	Q106 H135 H181 G197 H201 T202 G214 S677	Q106-D199 HydrophobicContact CG-CB 4.12Å; Q106-D199 PolarHBondContact NE2-OD2 3.49Å; H135-D199 IonicContact CE1-OD2 2.77Å; H135-D199 IonicContact NE2-OD2 3.94Å; H181-D199 IonicContact CD2-OD1 2.65Å; H181-D199 IonicContact CE1-OD1 3.71Å; H181-D199 PolarHBondContact CE1-OD1 3.39Å; H181-D199 IonicContact NE2-OD1 3.63Å; H181-D199 PolarHBondContact NE2-OD1 3.39Å; G197-D199 PolarHBondContact O-N 3.45Å; D199-H201 VanDerWaalsContact C-N 3.28Å; D199-H201 PolarHBondContact O-N 3.35Å; D199-H201 PolarHBondContact OD1-N 3.01Å; D199-H201 IonicContact OD1-ND1 2.69Å; D199-T202 WeakPolarHBondContact O-CB 3.38Å; D199-T202 PolarHBondContact O-N 2.94Å; D199-T202 PolarHBondContact O-OG1 2.52Å; D199-G214 WeakPolarHBondContact O-CA 3.34Å; D199-S677 WeakPolarHBondContact CA-OG 3.27Å; D199-S677 PolarHBondContact N-OG 3.38Å
200	S	96.2	Very high	98.6	Very high	5 Å²	5	1.6 Å²	1.6	4%	0.035	1%	0.009	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-27	-177.8	49.7	0	0	0	0	113.6	T202 P203 A295 R481 S677	S200-T202 VanDerWaalsContact C-N 3.32Å; S200-P203 WeakPolarHBondContact O-CD 3.5Å; S200-A295 VanDerWaalsContact O-CB 3.3Å; S200-A295 WeakPolarHBondContact O-CB 3.32Å; S200-R481 PolarHBondContact OG-NH2 2.81Å; S200-S677 PolarHBondContact N-OG 3.09Å
201	H	98.3	Very high	98.6	Very high	9 Å²	9	1.6 Å²	1.6	4%	0.042	1%	0.009	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	8.7	-174.2	-63.9	103.4	0	0	0	113.7	H181 D199 P203 N204 N292 E296 N480 R481	H181-H201 WeakPolarHBondContact NE2-CB 3.09Å; D199-H201 VanDerWaalsContact C-N 3.28Å; D199-H201 PolarHBondContact O-N 3.35Å; D199-H201 PolarHBondContact OD1-N 3.01Å; D199-H201 IonicContact OD1-ND1 2.69Å; H201-P203 VanDerWaalsContact O-N 3.11Å; H201-N204 WeakPolarHBondContact O-CB 3.03Å; H201-N204 PolarHBondContact O-N 2.88Å; H201-N292 PolarHBondContact CD2-O 2.9Å; H201-N292 PolarHBondContact CD2-OD1 3.22Å; H201-E296 IonicContact CD2-OE1 2.78Å; H201-E296 IonicContact CD2-OE2 2.73Å; H201-E296 PolarHBondContact CD2-OE2 2.83Å; H201-E296 IonicContact CE1-OE1 3.57Å; H201-E296 PolarHBondContact CE1-OE1 2.86Å; H201-E296 IonicContact NE2-OE1 2.81Å; H201-E296 PolarHBondContact NE2-OE1 3.13Å; H201-E296 IonicContact NE2-OE2 3.7Å; H201-E296 PolarHBondContact NE2-OE2 3.26Å; H201-N480 PolarHBondContact CD2-ND2 3.31Å; H201-N480 PolarHBondContact CE1-ND2 2.91Å; H201-N480 VanDerWaalsContact NE2-CG 3.33Å; H201-N480 PolarHBondContact NE2-ND2 3.32Å; H201-R481 PolarHBondContact CE1-NH2 2.96Å
202	T	98.9	Very high	98.6	Very high	2 Å²	2	1.6 Å²	1.6	1%	0.012	1%	0.009	C	C	.	.	G	3₁₀ helix	trans	-46.8	-33.5	169.2	-55.8	0	0	0	0	113.9	H181 L195 G197 D199 S200 N204 G205 C212	H181-T202 VanDerWaalsContact CE1-CA 3.44Å; H181-T202 WeakPolarHBondContact CE1-CA 3.48Å; H181-T202 PolarHBondContact CE1-N 3.19Å; L195-T202 HydrophobicContact CD2-CG2 3.28Å; G197-T202 WeakPolarHBondContact CA-OG1 3.32Å; G197-T202 PolarHBondContact O-OG1 2.93Å; D199-T202 WeakPolarHBondContact O-CB 3.38Å; D199-T202 PolarHBondContact O-N 2.94Å; D199-T202 PolarHBondContact O-OG1 2.52Å; S200-T202 VanDerWaalsContact C-N 3.32Å; T202-N204 PolarHBondContact O-N 3.47Å; T202-G205 PolarHBondContact O-N 2.93Å; T202-C212 CarbonylContact C-O 3.57Å; T202-C212 HydrophobicContact CG2-CB 3.95Å; T202-C212 WeakPolarHBondContact O-CB 3.38Å
203	P	98.8	Very high	98.6	Very high	2 Å²	2	1.6 Å²	1.6	1%	0.013	1%	0.009	C	C	.	.	G	3₁₀ helix	trans	-51.9	-16.6	172.2	-33	40.6	0	0	0	116.1	S200 H201 G205 G206 C212 C291	S200-P203 WeakPolarHBondContact O-CD 3.5Å; H201-P203 VanDerWaalsContact O-N 3.11Å; P203-G205 PolarHBondContact O-N 2.87Å; P203-G205 VanDerWaalsContact O-N 3.1Å; P203-G206 PolarHBondContact O-N 2.83Å; P203-C212 WeakPolarHBondContact CA-O 3.33Å; P203-C212 WeakPolarHBondContact CG-O 3.37Å; P203-C212 VanDerWaalsContact N-O 3.1Å; P203-C291 VanDerWaalsContact CB-O 3.3Å; P203-C291 WeakPolarHBondContact CB-O 3.23Å; P203-C291 WeakPolarHBondContact O-CB 3.27Å
204	N	98.9	Very high	98.6	Very high	4 Å²	4	1.7 Å²	1.7	2%	0.021	1%	0.01	C	C	.	.	G	3₁₀ helix	trans	-47.9	-37.3	172.3	-179	-102.1	0	0	0	113.6	H181 H201 T202 G206 G207 G288 N292	H181-N204 HydrophobicContact CB-CB 3.93Å; H181-N204 PolarHBondContact O-OD1 3.28Å; H201-N204 WeakPolarHBondContact O-CB 3.03Å; H201-N204 PolarHBondContact O-N 2.88Å; T202-N204 PolarHBondContact O-N 3.47Å; N204-G206 PolarHBondContact O-N 3.22Å; N204-G206 VanDerWaalsContact O-N 3.13Å; N204-G207 PolarHBondContact O-N 3.05Å; N204-G207 VanDerWaalsContact O-N 3.07Å; N204-G288 VanDerWaalsContact ND2-C 3.3Å; N204-G288 PolarHBondContact ND2-O 3.49Å; N204-G288 WeakPolarHBondContact O-CA 3.45Å; N204-N292 HydrophobicContact CB-CB 3.92Å
205	G	98.7	Very high	98.6	Very high	1 Å²	1	1.7 Å²	1.7	1%	0.01	1%	0.01	C	C	.	.	G	3₁₀ helix	trans	-63.8	-15.7	177.6	0	0	0	0	0	114.8	T202 P203 G207 L208 C212	T202-G205 PolarHBondContact O-N 2.93Å; P203-G205 PolarHBondContact O-N 2.87Å; P203-G205 VanDerWaalsContact O-N 3.1Å; G205-G207 PolarHBondContact O-N 2.76Å; G205-L208 PolarHBondContact O-N 2.78Å; G205-C212 VanDerWaalsContact CA-SG 3.59Å
206	G	98.8	Very high	98.5	Very high	0 Å²	0	1.8 Å²	1.8	0%	0	1%	0.011	C	C	.	.	G	3₁₀ helix	trans	-62.1	-19.7	170.7	0	0	0	0	0	114.5	P203 N204 L208 G209 G210 C291 S302 F304	P203-G206 PolarHBondContact O-N 2.83Å; N204-G206 PolarHBondContact O-N 3.22Å; N204-G206 VanDerWaalsContact O-N 3.13Å; G206-L208 PolarHBondContact O-N 2.95Å; G206-G209 PolarHBondContact O-N 2.94Å; G206-G209 VanDerWaalsContact O-N 3.12Å; G206-G210 WeakPolarHBondContact CA-O 3.44Å; G206-C291 VanDerWaalsContact C-SG 3.57Å; G206-S302 WeakPolarHBondContact CA-O 3.33Å; G206-F304 PolarHBondContact O-N 3.31Å; G206-F304 VanDerWaalsContact O-N 3.13Å
207	G	98.8	Very high	98.4	Very high	0 Å²	0	1.8 Å²	1.8	0%	0	1%	0.012	C	C	.	.	G	3₁₀ helix	trans	-65.8	-11.9	169.3	0	0	0	0	0	114.6	N204 G205 C284 M310	N204-G207 PolarHBondContact O-N 3.05Å; N204-G207 VanDerWaalsContact O-N 3.07Å; G205-G207 PolarHBondContact O-N 2.76Å; G207-C284 PolarHBondContact O-SG 2.95Å; G207-M310 WeakPolarHBondContact O-CE 3.22Å
208	L	98.8	Very high	98.3	Very high	0 Å²	0	2.2 Å²	2.2	0%	0	2%	0.015	C	C	.	.	G	3₁₀ helix	trans	-120.4	28.8	173.6	-160	63.8	0	0	0	111.7	L185 A189 F190 P191 G205 G206 G210 C284 M310 Y313 L314	L185-L208 HydrophobicContact CD1-CB 3.75Å; L185-L208 HydrophobicContact CD1-CD2 4.39Å; A189-L208 HydrophobicContact CB-CB 4.16Å; A189-L208 HydrophobicContact CB-CD2 3.94Å; A189-L208 VanDerWaalsContact O-CD2 3.31Å; A189-L208 WeakPolarHBondContact O-CD2 3.33Å; F190-L208 CarbonylContact C-O 3.49Å; P191-L208 VanDerWaalsContact CA-O 3.3Å; P191-L208 WeakPolarHBondContact CA-O 3.31Å; P191-L208 WeakPolarHBondContact CD-O 3.38Å; G205-L208 PolarHBondContact O-N 2.78Å; G206-L208 PolarHBondContact O-N 2.95Å; L208-G210 VanDerWaalsContact C-N 3.35Å; L208-G210 PolarHBondContact O-N 3.35Å; L208-C284 WeakPolarHBondContact CD1-SG 3.37Å; L208-M310 VanDerWaalsContact C-SD 3.58Å; L208-M310 HydrophobicContact CD1-CB 3.67Å; L208-M310 HydrophobicContact CD1-CG 3.98Å; L208-Y313 HydrophobicContact CD1-CD1 4.13Å; L208-Y313 HydrophobicContact CD2-CD1 4.31Å; L208-L314 HydrophobicContact CD1-CG 4.13Å; L208-L314 HydrophobicContact CD2-CD2 3.95Å; L208-L314 HydrophobicContact CD2-CG 4.44Å
209	G	98.7	Very high	98.2	Very high	2 Å²	2	2.3 Å²	2.3	2%	0.021	2%	0.016	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.6	14.4	167.2	0	0	0	0	0	116.3	I76 G192 G206 F304	I76-G209 WeakPolarHBondContact CD1-O 3.46Å; G192-G209 PolarHBondContact N-O 2.85Å; G206-G209 PolarHBondContact O-N 2.94Å; G206-G209 VanDerWaalsContact O-N 3.12Å; G209-F304 VanDerWaalsContact CA-O 3.29Å; G209-F304 WeakPolarHBondContact CA-O 3.46Å
210	G	98.7	Very high	98.2	Very high	0 Å²	0	2 Å²	2	0%	0	1%	0.014	C	C	.	.			trans	-99.1	153.8	172.4	0	0	0	0	0	112.7	L193 G206 L208 C212	L193-G210 CarbonylContact O-C 3.52Å; L193-G210 VanDerWaalsContact O-CA 3.31Å; L193-G210 WeakPolarHBondContact O-CA 3.46Å; G206-G210 WeakPolarHBondContact CA-O 3.44Å; L208-G210 VanDerWaalsContact C-N 3.35Å; L208-G210 PolarHBondContact O-N 3.35Å; G210-C212 PolarHBondContact O-N 3.2Å
211	L	98.9	Very high	98.2	Very high	0 Å²	0	1.9 Å²	1.9	0%	0	1%	0.013	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	106	164.4	-65.6	-174.2	0	0	0	109.1	A73 I76 L77 L193 L194 L195 I271 T301 V303	A73-L211 HydrophobicContact CB-CD2 4.34Å; A73-L211 WeakPolarHBondContact O-CD1 3.41Å; I76-L211 HydrophobicContact CB-CD1 3.75Å; I76-L211 HydrophobicContact CB-CG 3.9Å; I76-L211 HydrophobicContact CD1-CG 4.16Å; I76-L211 HydrophobicContact CG2-CB 4.12Å; I76-L211 HydrophobicContact CG2-CD1 3.76Å; I76-L211 HydrophobicContact CG2-CG 3.71Å; L77-L211 HydrophobicContact CB-CD1 3.88Å; L77-L211 HydrophobicContact CD1-CD1 4.28Å; L193-L211 PolarHBondContact O-N 2.93Å; L194-L211 WeakPolarHBondContact CA-O 3.49Å; L194-L211 HydrophobicContact CD1-CB 3.99Å; L195-L211 PolarHBondContact N-O 3.09Å; L211-I271 HydrophobicContact CD1-CD1 4.28Å; L211-I271 HydrophobicContact CD2-CD1 4.36Å; L211-I271 HydrophobicContact CD2-CG2 4.33Å; L211-T301 HydrophobicContact CB-CG2 4.46Å; L211-T301 HydrophobicContact CD2-CG2 3.92Å; L211-V303 HydrophobicContact CD2-CB 3.9Å; L211-V303 HydrophobicContact CD2-CG1 3.97Å; L211-V303 HydrophobicContact CD2-CG2 4.19Å
212	C	98.9	Very high	98.1	Very high	0 Å²	0	2 Å²	2	0%	0	1%	0.014	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	102.9	-175.8	-58.6	0	0	0	0	109.5	L195 T202 P203 G205 G210 T301	L195-C212 HydrophobicContact CB-CB 4.43Å; L195-C212 HydrophobicContact CD2-CB 4.32Å; L195-C212 CarbonylContact O-C 3.36Å; L195-C212 VanDerWaalsContact O-CA 3.32Å; L195-C212 WeakPolarHBondContact O-CA 3.49Å; T202-C212 CarbonylContact C-O 3.57Å; T202-C212 HydrophobicContact CG2-CB 3.95Å; T202-C212 WeakPolarHBondContact O-CB 3.38Å; P203-C212 WeakPolarHBondContact CA-O 3.33Å; P203-C212 WeakPolarHBondContact CG-O 3.37Å; P203-C212 VanDerWaalsContact N-O 3.1Å; G205-C212 VanDerWaalsContact CA-SG 3.59Å; G210-C212 PolarHBondContact O-N 3.2Å; C212-T301 PolarHBondContact O-OG1 2.75Å
213	I	98.9	Very high	98.1	Very high	0 Å²	0	2 Å²	2	0%	0	1%	0.014	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	129.7	-167	-62.2	168	0	0	0	111.2	L194 L195 I196 G197 V215 W229 L231 T300 T301	L194-I213 HydrophobicContact CD1-CD1 4.32Å; L195-I213 PolarHBondContact O-N 2.93Å; I196-I213 WeakPolarHBondContact CA-O 3.29Å; G197-I213 PolarHBondContact N-O 3.4Å; I213-V215 HydrophobicContact CG2-CG1 4.34Å; I213-W229 HydrophobicContact CB-CH2 3.95Å; I213-W229 HydrophobicContact CD1-CH2 3.66Å; I213-W229 HydrophobicContact CD1-CZ3 4.02Å; I213-W229 HydrophobicContact CG1-CH2 4.39Å; I213-W229 HydrophobicContact CG2-CH2 3.72Å; I213-W229 HydrophobicContact CG2-CZ2 4.08Å; I213-L231 HydrophobicContact CD1-CD2 3.8Å; I213-T300 HydrophobicContact CD1-CG2 4.09Å; I213-T300 HydrophobicContact CG1-CG2 4.3Å; I213-T300 HydrophobicContact CG2-CG2 4.08Å; I213-T301 HydrophobicContact CD1-CG2 4.23Å; I213-T301 HydrophobicContact CG1-CG2 3.69Å
214	G	98.5	Very high	98	Very high	2 Å²	2	2 Å²	2	2%	0.021	1%	0.014	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	133.1	173.9	0	0	0	0	0	112.1	G197 D199 R700 I701	G197-G214 CarbonylContact O-C 3.57Å; G197-G214 WeakPolarHBondContact O-CA 3.5Å; D199-G214 WeakPolarHBondContact O-CA 3.34Å; G214-R700 PolarHBondContact O-NH2 3.5Å; G214-I701 WeakPolarHBondContact O-CD1 3.4Å; G214-I701 WeakPolarHBondContact O-CG1 3.17Å
215	V	98.5	Very high	97.8	Very high	0 Å²	0	2.5 Å²	2.5	0%	0	2%	0.019	C	C	.	.			trans	-138.6	170.3	-177.5	-61.5	0	0	0	0	112.4	I196 G197 T198 I213 D219 W229 S677	I196-V215 HydrophobicContact CB-CG1 4.21Å; I196-V215 HydrophobicContact CB-CG2 4.03Å; I196-V215 HydrophobicContact CD1-CG2 4.18Å; I196-V215 HydrophobicContact CG2-CG1 4.19Å; G197-V215 PolarHBondContact O-N 3.12Å; T198-V215 WeakPolarHBondContact CA-O 3.36Å; I213-V215 HydrophobicContact CG2-CG1 4.34Å; V215-D219 HydrophobicContact CB-CB 3.71Å; V215-D219 HydrophobicContact CG1-CB 4.17Å; V215-D219 HydrophobicContact CG2-CB 3.96Å; V215-W229 HydrophobicContact CG1-CH2 4.49Å; V215-W229 HydrophobicContact CG1-CZ2 3.61Å; V215-S677 VanDerWaalsContact O-CB 3.31Å; V215-S677 WeakPolarHBondContact O-CB 3.5Å
216	G	97.2	Very high	97.6	Very high	2 Å²	2	3.7 Å²	3.7	2%	0.021	3%	0.031	C	C	.	.			trans	-79.5	171.4	166.5	0	0	0	0	0	112.6	A218 D219 A220 N705	G216-A218 PolarHBondContact O-N 2.98Å; G216-D219 PolarHBondContact O-N 2.98Å; G216-A220 PolarHBondContact O-N 3.33Å; G216-N705 WeakPolarHBondContact CA-OD1 3.3Å
217	G	96.7	Very high	97.4	Very high	1 Å²	1	6.7 Å²	6.7	1%	0.01	5%	0.047	C	C	.	.	H	α-helix	trans	-63.2	-39.9	-179.1	0	0	0	0	0	113.2	D219 A220 V221 E679	G217-D219 VanDerWaalsContact C-N 3.34Å; G217-D219 PolarHBondContact O-N 2.7Å; G217-A220 WeakPolarHBondContact O-CA 3.09Å; G217-A220 WeakPolarHBondContact O-CB 3.06Å; G217-A220 PolarHBondContact O-N 2.71Å; G217-A220 VanDerWaalsContact O-N 3.09Å; G217-V221 WeakPolarHBondContact O-CG2 2.99Å; G217-V221 PolarHBondContact O-N 3.29Å; G217-E679 WeakPolarHBondContact CA-OE1 3.4Å; G217-E679 WeakPolarHBondContact CA-OE2 3.32Å; G217-E679 PolarHBondContact N-OE2 3.34Å
218	A	95.4	Very high	97.3	Very high	8 Å²	8	8.4 Å²	8.4	7%	0.066	6%	0.058	C	C	.	.	H	α-helix	trans	-59.6	-38	177.7	0	0	0	0	0	114.1	G216 V221 D222 E679 K708	G216-A218 PolarHBondContact O-N 2.98Å; A218-V221 WeakPolarHBondContact O-CB 3.43Å; A218-V221 PolarHBondContact O-N 3.26Å; A218-D222 PolarHBondContact O-N 3.33Å; A218-D222 VanDerWaalsContact O-N 3.11Å; A218-E679 PolarHBondContact N-OE2 2.88Å; A218-K708 HydrophobicContact CB-CB 3.96Å; A218-K708 HydrophobicContact CB-CD 3.96Å; A218-K708 HydrophobicContact CB-CG 3.95Å
219	D	97.8	Very high	97.2	Very high	3 Å²	3	8.4 Å²	8.4	2%	0.016	6%	0.058	C	C	.	.	H	α-helix	trans	-66.3	-39	174.3	-79.3	11.5	0	0	0	111.3	V215 G216 G217 V221 D222 V223 W229 T704 K708	V215-D219 HydrophobicContact CB-CB 3.71Å; V215-D219 HydrophobicContact CG1-CB 4.17Å; V215-D219 HydrophobicContact CG2-CB 3.96Å; G216-D219 PolarHBondContact O-N 2.98Å; G217-D219 VanDerWaalsContact C-N 3.34Å; G217-D219 PolarHBondContact O-N 2.7Å; D219-V221 VanDerWaalsContact C-N 3.27Å; D219-V221 PolarHBondContact O-N 2.99Å; D219-D222 WeakPolarHBondContact O-CB 3.27Å; D219-D222 PolarHBondContact O-N 3.34Å; D219-V223 PolarHBondContact O-N 3.26Å; D219-W229 PolarHBondContact OD2-NE1 3.27Å; D219-T704 WeakPolarHBondContact OD1-CG2 3.13Å; D219-K708 WeakPolarHBondContact OD1-CE 3.39Å
220	A	98.1	Very high	97.1	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-63.3	-37.3	173.5	0	0	0	0	0	111.3	V103 T198 G216 G217 V223 M224	V103-A220 HydrophobicContact CG1-CB 3.81Å; T198-A220 HydrophobicContact CG2-CB 3.48Å; T198-A220 VanDerWaalsContact CG2-CB 3.48Å; G216-A220 PolarHBondContact O-N 3.33Å; G217-A220 WeakPolarHBondContact O-CA 3.09Å; G217-A220 WeakPolarHBondContact O-CB 3.06Å; G217-A220 PolarHBondContact O-N 2.71Å; G217-A220 VanDerWaalsContact O-N 3.09Å; A220-V223 PolarHBondContact O-N 3.16Å; A220-M224 HydrophobicContact CB-CE 4.45Å; A220-M224 WeakPolarHBondContact O-CB 3.24Å; A220-M224 VanDerWaalsContact O-CG 3.25Å; A220-M224 WeakPolarHBondContact O-CG 3.49Å; A220-M224 PolarHBondContact O-N 3.43Å
221	V	96.8	Very high	97.1	Very high	3 Å²	3	9.2 Å²	9.2	2%	0.018	6%	0.061	C	C	.	.	H	α-helix	trans	-62.7	-40.7	175.8	173.9	0	0	0	0	111.6	A113 Q116 F117 G217 A218 D219 V223 M224 A225 M782	A113-V221 VanDerWaalsContact O-CG2 3.26Å; A113-V221 WeakPolarHBondContact O-CG2 3.2Å; Q116-V221 HydrophobicContact CB-CG2 3.84Å; F117-V221 HydrophobicContact CB-CG1 4.5Å; F117-V221 HydrophobicContact CB-CG2 4.21Å; F117-V221 HydrophobicContact CD2-CG1 4.32Å; G217-V221 WeakPolarHBondContact O-CG2 2.99Å; G217-V221 PolarHBondContact O-N 3.29Å; A218-V221 WeakPolarHBondContact O-CB 3.43Å; A218-V221 PolarHBondContact O-N 3.26Å; D219-V221 VanDerWaalsContact C-N 3.27Å; D219-V221 PolarHBondContact O-N 2.99Å; V221-V223 VanDerWaalsContact C-N 3.33Å; V221-V223 PolarHBondContact O-N 3.48Å; V221-M224 HydrophobicContact CB-CE 4.36Å; V221-M224 HydrophobicContact CG2-CE 3.8Å; V221-M224 PolarHBondContact O-N 3.29Å; V221-A225 WeakPolarHBondContact O-CB 3.21Å; V221-A225 PolarHBondContact O-N 2.88Å; V221-M782 HydrophobicContact CG1-CE 4.13Å; V221-M782 HydrophobicContact CG1-SD 4.37Å
222	D	95.4	Very high	96.9	Very high	11 Å²	11	13.6 Å²	13.6	6%	0.059	8%	0.08	C	C	.	.	H	α-helix	trans	-54.7	-50.7	175.1	-64.8	-19.6	0	0	0	111.3	A218 D219 A225 G226 L227 K708 M782	A218-D222 PolarHBondContact O-N 3.33Å; A218-D222 VanDerWaalsContact O-N 3.11Å; D219-D222 WeakPolarHBondContact O-CB 3.27Å; D219-D222 PolarHBondContact O-N 3.34Å; D222-A225 CarbonylContact O-C 3.54Å; D222-A225 WeakPolarHBondContact O-CA 3.35Å; D222-A225 WeakPolarHBondContact O-CB 3.3Å; D222-A225 PolarHBondContact O-N 2.84Å; D222-A225 VanDerWaalsContact O-N 3.16Å; D222-G226 PolarHBondContact O-N 2.89Å; D222-G226 VanDerWaalsContact O-N 3.13Å; D222-L227 HydrophobicContact CB-CB 4.16Å; D222-L227 WeakPolarHBondContact O-CB 3.2Å; D222-L227 PolarHBondContact O-N 3.47Å; D222-K708 IonicContact OD1-NZ 2.78Å; D222-K708 PolarHBondContact OD1-NZ 2.76Å; D222-K708 WeakPolarHBondContact OD2-CE 3.45Å; D222-K708 IonicContact OD2-NZ 3.12Å; D222-K708 PolarHBondContact OD2-NZ 3.32Å; D222-M782 WeakPolarHBondContact OD1-CE 3.34Å
223	V	97.9	Very high	96.8	Very high	4 Å²	4	13.6 Å²	13.6	2%	0.024	8%	0.081	C	C	.	.	H	α-helix	trans	-69.9	-40.9	-177	-178	0	0	0	0	111.2	P100 V103 V127 I196 D219 A220 V221 A225 G226 W229	P100-V223 HydrophobicContact CB-CG1 4.12Å; P100-V223 HydrophobicContact CG-CG1 4.3Å; P100-V223 HydrophobicContact CG-CG2 3.89Å; V103-V223 HydrophobicContact CG2-CB 3.82Å; V103-V223 HydrophobicContact CG2-CG1 3.65Å; V127-V223 HydrophobicContact CG1-CG1 4.3Å; V127-V223 HydrophobicContact CG2-CG1 3.65Å; I196-V223 HydrophobicContact CD1-CB 3.89Å; I196-V223 HydrophobicContact CD1-CG2 3.37Å; I196-V223 HydrophobicContact CG1-CG2 4.33Å; D219-V223 PolarHBondContact O-N 3.26Å; A220-V223 PolarHBondContact O-N 3.16Å; V221-V223 VanDerWaalsContact C-N 3.33Å; V221-V223 PolarHBondContact O-N 3.48Å; V223-A225 PolarHBondContact O-N 3.11Å; V223-G226 PolarHBondContact O-N 2.84Å; V223-W229 HydrophobicContact CG2-CB 3.56Å; V223-W229 HydrophobicContact CG2-CG 4.3Å
224	M	97.6	Very high	96.8	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-60.1	-34.2	172.3	-73.3	-171.2	-60.4	0	0	111.5	V103 M105 F117 V125 S126 T129 A220 V221 G226	V103-M224 HydrophobicContact CB-CG 4.38Å; V103-M224 HydrophobicContact CG1-CG 4.29Å; V103-M224 HydrophobicContact CG2-CG 4.18Å; M105-M224 HydrophobicContact CE-CE 4.26Å; M105-M224 HydrophobicContact CE-SD 3.69Å; M105-M224 HydrophobicContact SD-CE 4.02Å; M105-M224 HydrophobicContact SD-SD 4.13Å; F117-M224 HydrophobicContact CB-CE 4.16Å; F117-M224 HydrophobicContact CD2-CB 3.82Å; F117-M224 HydrophobicContact CD2-CE 4.24Å; F117-M224 HydrophobicContact CE2-CB 3.74Å; F117-M224 HydrophobicContact CG-CE 4.36Å; V125-M224 CarbonylContact C-O 3.27Å; V125-M224 WeakPolarHBondContact CA-O 3.42Å; V125-M224 HydrophobicContact CB-CB 4.27Å; V125-M224 HydrophobicContact CB-CG 4.34Å; V125-M224 HydrophobicContact CG1-CB 3.94Å; V125-M224 HydrophobicContact CG1-CG 3.91Å; V125-M224 HydrophobicContact CG1-SD 3.89Å; S126-M224 PolarHBondContact N-O 2.94Å; S126-M224 PolarHBondContact OG-O 3.14Å; T129-M224 HydrophobicContact CG2-CG 4.17Å; T129-M224 HydrophobicContact CG2-SD 3.71Å; A220-M224 HydrophobicContact CB-CE 4.45Å; A220-M224 WeakPolarHBondContact O-CB 3.24Å; A220-M224 VanDerWaalsContact O-CG 3.25Å; A220-M224 WeakPolarHBondContact O-CG 3.49Å; A220-M224 PolarHBondContact O-N 3.43Å; V221-M224 HydrophobicContact CB-CE 4.36Å; V221-M224 HydrophobicContact CG2-CE 3.8Å; V221-M224 PolarHBondContact O-N 3.29Å; M224-G226 PolarHBondContact O-N 2.76Å
225	A	94.9	Very high	96.8	Very high	16 Å²	16	17.5 Å²	17.5	13%	0.132	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-7.1	176	0	0	0	0	0	113.5	I122 V221 D222 V223 L227 M782	I122-A225 HydrophobicContact CD1-CB 3.26Å; V221-A225 WeakPolarHBondContact O-CB 3.21Å; V221-A225 PolarHBondContact O-N 2.88Å; D222-A225 CarbonylContact O-C 3.54Å; D222-A225 WeakPolarHBondContact O-CA 3.35Å; D222-A225 WeakPolarHBondContact O-CB 3.3Å; D222-A225 PolarHBondContact O-N 2.84Å; D222-A225 VanDerWaalsContact O-N 3.16Å; V223-A225 PolarHBondContact O-N 3.11Å; A225-L227 VanDerWaalsContact C-N 3.35Å; A225-L227 HydrophobicContact CB-CD1 4.4Å; A225-L227 HydrophobicContact CB-CG 4.24Å; A225-M782 HydrophobicContact CB-SD 4.01Å
226	G	94.3	Very high	96.8	Very high	26 Å²	26	17.6 Å²	17.6	27%	0.268	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.8	21.9	-175.7	0	0	0	0	0	113.5	R99 S126 D222 V223 M224	R99-G226 VanDerWaalsContact NH1-C 3.32Å; R99-G226 PolarHBondContact NH1-O 2.79Å; S126-G226 WeakPolarHBondContact OG-CA 3.39Å; S126-G226 PolarHBondContact OG-N 3.09Å; D222-G226 PolarHBondContact O-N 2.89Å; D222-G226 VanDerWaalsContact O-N 3.13Å; V223-G226 PolarHBondContact O-N 2.84Å; M224-G226 PolarHBondContact O-N 2.76Å
227	L	94.6	Very high	96.9	Very high	63 Å²	63	17.5 Å²	17.5	33%	0.33	10%	0.097	S	C	.	.	P	Polyproline II helix	trans	-89.1	151.5	170.2	-58.6	175.4	0	0	0	110.6	D222 A225 M782	D222-L227 HydrophobicContact CB-CB 4.16Å; D222-L227 WeakPolarHBondContact O-CB 3.2Å; D222-L227 PolarHBondContact O-N 3.47Å; A225-L227 VanDerWaalsContact C-N 3.35Å; A225-L227 HydrophobicContact CB-CD1 4.4Å; A225-L227 HydrophobicContact CB-CG 4.24Å; L227-M782 HydrophobicContact CD1-CE 3.54Å; L227-M782 HydrophobicContact CD1-CG 3.97Å; L227-M782 HydrophobicContact CD1-SD 4Å
228	P	96.4	Very high	97	Very high	36 Å²	36	17.5 Å²	17.5	23%	0.234	10%	0.096	C	C	.	.	P	Polyproline II helix	trans	-62.8	136.4	170.3	-16.9	29.7	0	0	0	110.7	D82 L97 L98	D82-P228 HydrophobicContact CB-CB 4.34Å; D82-P228 HydrophobicContact CB-CG 4.44Å; L97-P228 HydrophobicContact CB-CB 3.86Å; L97-P228 HydrophobicContact CD2-CB 4.34Å; L98-P228 WeakPolarHBondContact O-CA 3.44Å
229	W	98	Very high	97.1	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	134.1	173.4	170.4	61.3	0	0	0	110.5	L98 P100 I196 I213 V215 D219 V223 L231	L98-W229 HydrophobicContact CB-CE3 4.1Å; L98-W229 WeakPolarHBondContact CB-O 3.42Å; L98-W229 HydrophobicContact CD1-CE3 3.75Å; L98-W229 HydrophobicContact CD1-CZ3 3.65Å; L98-W229 PolarHBondContact N-O 3.46Å; L98-W229 PolarHBondContact O-N 2.92Å; P100-W229 HydrophobicContact CG-CB 4.23Å; P100-W229 HydrophobicContact CG-CD2 4.44Å; P100-W229 HydrophobicContact CG-CE3 3.82Å; I196-W229 HydrophobicContact CG2-CD2 4.03Å; I196-W229 HydrophobicContact CG2-CE3 3.79Å; I196-W229 HydrophobicContact CG2-CH2 3.89Å; I196-W229 HydrophobicContact CG2-CZ2 4.12Å; I196-W229 HydrophobicContact CG2-CZ3 3.72Å; I213-W229 HydrophobicContact CB-CH2 3.95Å; I213-W229 HydrophobicContact CD1-CH2 3.66Å; I213-W229 HydrophobicContact CD1-CZ3 4.02Å; I213-W229 HydrophobicContact CG1-CH2 4.39Å; I213-W229 HydrophobicContact CG2-CH2 3.72Å; I213-W229 HydrophobicContact CG2-CZ2 4.08Å; V215-W229 HydrophobicContact CG1-CH2 4.49Å; V215-W229 HydrophobicContact CG1-CZ2 3.61Å; D219-W229 PolarHBondContact OD2-NE1 3.27Å; V223-W229 HydrophobicContact CG2-CB 3.56Å; V223-W229 HydrophobicContact CG2-CG 4.3Å; W229-L231 HydrophobicContact CH2-CB 3.97Å; W229-L231 HydrophobicContact CH2-CD1 3.92Å; W229-L231 HydrophobicContact CH2-CD2 3.86Å; W229-L231 HydrophobicContact CH2-CG 4.12Å; W229-L231 HydrophobicContact CZ2-CB 4.21Å; W229-L231 HydrophobicContact CZ2-CD1 4.01Å; W229-L231 HydrophobicContact CZ3-CB 4.15Å; W229-L231 HydrophobicContact CZ3-CD2 4.15Å
230	E	96.5	Very high	97.2	Very high	16 Å²	16	19.8 Å²	19.8	8%	0.075	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	128.2	-176.1	-166.3	-172.7	-178	0	0	112.1	Y95 L96 L97 N766 Q769	Y95-E230 WeakPolarHBondContact CB-OE1 3.08Å; Y95-E230 HydrophobicContact CD1-CG 3.75Å; Y95-E230 WeakPolarHBondContact CD1-OE1 3.45Å; Y95-E230 HydrophobicContact CG-CG 4.2Å; L96-E230 CarbonylContact O-C 3.59Å; L96-E230 WeakPolarHBondContact O-CA 3.47Å; L97-E230 HydrophobicContact CD2-CB 4.17Å; L97-E230 HydrophobicContact CD2-CG 4.14Å; E230-N766 PolarHBondContact OE1-ND2 3.21Å; E230-Q769 PolarHBondContact OE1-NE2 3.24Å; E230-Q769 PolarHBondContact OE2-NE2 3.09Å
231	L	97.4	Very high	97.2	Very high	3 Å²	3	19.8 Å²	19.8	2%	0.016	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	126.7	174.1	-178.2	67.3	0	0	0	110.7	L77 L96 L98 I213 W229 C233 P234 T300	L77-L231 HydrophobicContact CD1-CD2 4.04Å; L96-L231 PolarHBondContact N-O 3.46Å; L96-L231 PolarHBondContact O-N 3.38Å; L98-L231 HydrophobicContact CD1-CB 3.64Å; L98-L231 HydrophobicContact CD1-CD2 3.98Å; L98-L231 HydrophobicContact CD1-CG 4.46Å; I213-L231 HydrophobicContact CD1-CD2 3.8Å; W229-L231 HydrophobicContact CH2-CB 3.97Å; W229-L231 HydrophobicContact CH2-CD1 3.92Å; W229-L231 HydrophobicContact CH2-CD2 3.86Å; W229-L231 HydrophobicContact CH2-CG 4.12Å; W229-L231 HydrophobicContact CZ2-CB 4.21Å; W229-L231 HydrophobicContact CZ2-CD1 4.01Å; W229-L231 HydrophobicContact CZ3-CB 4.15Å; W229-L231 HydrophobicContact CZ3-CD2 4.15Å; L231-C233 PolarHBondContact O-N 3.36Å; L231-C233 VanDerWaalsContact O-N 3.13Å; L231-P234 HydrophobicContact CD2-CG 4.05Å; L231-T300 HydrophobicContact CD1-CG2 3.96Å; L231-T300 HydrophobicContact CD2-CG2 4.25Å
232	K	95.3	Very high	97.3	Very high	91 Å²	91	23.4 Å²	23.4	40%	0.396	12%	0.124	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59	119.6	167.8	-173.2	172.7	-179.9	177.7	0	108.8	G92 Y95 P234	G92-K232 VanDerWaalsContact C-CE 3.48Å; G92-K232 WeakPolarHBondContact O-CE 3.42Å; G92-K232 PolarHBondContact O-NZ 3.39Å; Y95-K232 HydrophobicContact CD1-CB 3.89Å; Y95-K232 HydrophobicContact CE1-CB 3.66Å; Y95-K232 HydrophobicContact CE1-CG 4.41Å; K232-P234 WeakPolarHBondContact O-CD 3.46Å
233	C	97.2	Very high	97.4	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.007	13%	0.131	C	C	.	.			trans	-50.9	113.1	-175.5	-171.9	0	0	0	0	109.2	G92 T94 L96 L231	G92-C233 WeakPolarHBondContact CA-O 3.37Å; G92-C233 PolarHBondContact N-O 3.03Å; T94-C233 WeakPolarHBondContact O-CB 3.36Å; T94-C233 PolarHBondContact O-N 2.57Å; L96-C233 HydrophobicContact CD1-CB 4.08Å; L96-C233 HydrophobicContact CD2-CB 4.41Å; L96-C233 HydrophobicContact CG-CB 3.97Å; L231-C233 PolarHBondContact O-N 3.36Å; L231-C233 VanDerWaalsContact O-N 3.13Å
234	P	98.2	Very high	97.4	Very high	3 Å²	3	30.1 Å²	30.1	2%	0.019	16%	0.16	C	C	.	.			trans	-68.2	152.6	-176.3	-23.1	36.5	0	0	0	111.5	L77 L231 K232 G269 I271 T300	L77-P234 HydrophobicContact CD2-CG 4.38Å; L231-P234 HydrophobicContact CD2-CG 4.05Å; K232-P234 WeakPolarHBondContact O-CD 3.46Å; P234-G269 WeakPolarHBondContact CA-O 3.41Å; P234-I271 HydrophobicContact CB-CB 4.49Å; P234-I271 HydrophobicContact CB-CD1 4.07Å; P234-I271 HydrophobicContact CB-CG1 3.76Å; P234-I271 HydrophobicContact CG-CD1 3.82Å; P234-I271 HydrophobicContact CG-CG1 3.89Å; P234-T300 HydrophobicContact CG-CG2 4.16Å
235	K	98.7	Very high	97.3	Very high	81 Å²	81	31.8 Å²	31.8	35%	0.352	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	162.1	156.3	-68.8	-175.8	178.2	-174.8	0	109.3	R91 G269 Y270 I271 D342	R91-K235 HydrophobicContact CB-CG 4.25Å; K235-G269 PolarHBondContact N-O 3.19Å; K235-Y270 HydrophobicContact CB-CD1 3.44Å; K235-Y270 VanDerWaalsContact CB-CD1 3.44Å; K235-Y270 HydrophobicContact CB-CD2 4.45Å; K235-Y270 HydrophobicContact CB-CE1 3.41Å; K235-Y270 VanDerWaalsContact CB-CE1 3.41Å; K235-Y270 HydrophobicContact CB-CE2 4.37Å; K235-Y270 HydrophobicContact CB-CG 4Å; K235-Y270 HydrophobicContact CD-CE1 3.92Å; K235-Y270 HydrophobicContact CD-CE2 4.2Å; K235-Y270 WeakPolarHBondContact CD-OH 3.46Å; K235-Y270 HydrophobicContact CG-CE1 4.33Å; K235-Y270 CarbonylContact O-C 3.54Å; K235-Y270 WeakPolarHBondContact O-CA 3.19Å; K235-I271 PolarHBondContact O-N 2.84Å; K235-D342 WeakPolarHBondContact CA-OD2 3.48Å; K235-D342 HydrophobicContact CB-CB 4.06Å; K235-D342 HydrophobicContact CD-CB 4.35Å; K235-D342 HydrophobicContact CG-CB 4.46Å
236	I	98.7	Very high	97.3	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.01	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	122.4	-179.9	-43.7	-59.6	0	0	0	109.7	T71 A73 E74 I271 E273 Y341 D342	T71-I236 HydrophobicContact CG2-CB 4.36Å; T71-I236 HydrophobicContact CG2-CG1 4.42Å; T71-I236 HydrophobicContact CG2-CG2 4.06Å; A73-I236 HydrophobicContact CB-CD1 3.81Å; A73-I236 HydrophobicContact CB-CG2 4.48Å; E74-I236 HydrophobicContact CG-CD1 4.37Å; E74-I236 HydrophobicContact CG-CG1 4.24Å; I236-I271 HydrophobicContact CD1-CB 4.15Å; I236-E273 HydrophobicContact CG2-CB 3.98Å; I236-Y341 HydrophobicContact CB-CD1 4.38Å; I236-Y341 HydrophobicContact CG2-CD1 3.75Å; I236-Y341 HydrophobicContact CG2-CE1 4.14Å; I236-D342 PolarHBondContact N-OD2 3.25Å; I236-D342 PolarHBondContact O-N 3.11Å
237	M	98.8	Very high	97.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	113.9	174.6	-178.9	178.3	-61.1	0	0	108.8	L262 G266 Y270 I271 I272 E273 Q343 I345	M237-L262 HydrophobicContact CE-CD1 4.47Å; M237-L262 HydrophobicContact CE-CD2 3.71Å; M237-L262 HydrophobicContact SD-CD1 3.73Å; M237-L262 HydrophobicContact SD-CD2 3.68Å; M237-L262 HydrophobicContact SD-CG 4.34Å; M237-G266 WeakPolarHBondContact CE-O 3.48Å; M237-Y270 HydrophobicContact CB-CD1 3.78Å; M237-Y270 HydrophobicContact CB-CG 4.3Å; M237-Y270 HydrophobicContact CE-CD1 4.18Å; M237-Y270 HydrophobicContact CE-CD2 4.39Å; M237-Y270 HydrophobicContact CE-CE1 4.5Å; M237-Y270 HydrophobicContact CE-CG 4.12Å; M237-I271 PolarHBondContact N-O 2.86Å; M237-I272 HydrophobicContact CB-CG1 4.48Å; M237-I272 CarbonylContact O-C 3.46Å; M237-I272 WeakPolarHBondContact O-CA 3.34Å; M237-I272 HydrophobicContact SD-CG1 4.36Å; M237-E273 PolarHBondContact O-N 3.15Å; M237-Q343 CarbonylContact C-O 3.35Å; M237-Q343 WeakPolarHBondContact CA-O 3.36Å; M237-Q343 HydrophobicContact CE-CB 4.49Å; M237-Q343 HydrophobicContact CE-CG 4.39Å; M237-Q343 HydrophobicContact CG-CB 4.27Å; M237-Q343 HydrophobicContact CG-CG 4.42Å; M237-I345 HydrophobicContact SD-CD1 3.85Å
238	G	98.8	Very high	97.5	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	127.7	173.6	0	0	0	0	0	110.5	E273 Q343 L344 I345	G238-E273 CarbonylContact C-O 3.49Å; G238-E273 WeakPolarHBondContact CA-O 3.33Å; G238-Q343 PolarHBondContact N-O 3.41Å; G238-L344 CarbonylContact O-C 3.55Å; G238-L344 WeakPolarHBondContact O-CA 3.42Å; G238-I345 PolarHBondContact O-N 3.45Å
239	V	98.8	Very high	97.6	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	105	168	179.6	0	0	0	0	108.4	L241 L258 I272 E273 Y274 F275 I345 V347	V239-L241 HydrophobicContact CG1-CD2 3.69Å; V239-L241 HydrophobicContact CG1-CG 4.47Å; V239-L258 HydrophobicContact CG1-CD1 4.07Å; V239-L258 HydrophobicContact CG1-CD2 3.99Å; V239-L258 HydrophobicContact CG2-CD1 4.24Å; V239-L258 HydrophobicContact CG2-CD2 4.02Å; V239-I272 HydrophobicContact CB-CG2 4.41Å; V239-I272 HydrophobicContact CG2-CG2 3.54Å; V239-E273 PolarHBondContact N-O 3.12Å; V239-Y274 HydrophobicContact CB-CD1 3.66Å; V239-Y274 HydrophobicContact CB-CE1 3.84Å; V239-Y274 HydrophobicContact CG1-CD1 3.8Å; V239-Y274 HydrophobicContact CG1-CE1 3.88Å; V239-Y274 HydrophobicContact CG2-CD1 4.41Å; V239-Y274 HydrophobicContact CG2-CE1 4.14Å; V239-Y274 WeakPolarHBondContact O-CA 3.2Å; V239-F275 PolarHBondContact O-N 3.12Å; V239-I345 CarbonylContact C-O 3.25Å; V239-I345 WeakPolarHBondContact CA-O 3.47Å; V239-I345 HydrophobicContact CG2-CB 4.39Å; V239-V347 HydrophobicContact CG1-CG2 4.22Å
240	K	98.7	Very high	97.6	Very high	60 Å²	60	32.1 Å²	32.1	26%	0.261	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	115.7	176.7	-173.5	-174.8	163.7	-156.2	0	109.3	F275 L344 I345 E346 V347	K240-F275 CarbonylContact C-O 3.49Å; K240-F275 WeakPolarHBondContact CA-O 3.39Å; K240-F275 HydrophobicContact CB-CD1 4.42Å; K240-F275 HydrophobicContact CB-CE1 3.81Å; K240-F275 HydrophobicContact CB-CE2 4.06Å; K240-F275 HydrophobicContact CB-CZ 3.62Å; K240-F275 HydrophobicContact CD-CE2 4.34Å; K240-F275 HydrophobicContact CD-CZ 4.41Å; K240-F275 HydrophobicContact CG-CD2 4.49Å; K240-F275 HydrophobicContact CG-CE2 4Å; K240-F275 HydrophobicContact CG-CZ 4.07Å; K240-L344 HydrophobicContact CB-CD1 4.37Å; K240-I345 PolarHBondContact N-O 3.34Å; K240-E346 HydrophobicContact CB-CG 4.25Å; K240-E346 HydrophobicContact CD-CG 4.26Å; K240-E346 WeakPolarHBondContact CD-OE1 3.39Å; K240-E346 IonicContact NZ-OE1 2.73Å; K240-E346 PolarHBondContact NZ-OE1 3.37Å; K240-E346 IonicContact NZ-OE2 3.54Å; K240-E346 WeakPolarHBondContact O-CA 3.35Å; K240-V347 PolarHBondContact O-N 3.5Å
241	L	98.7	Very high	97.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	124.3	174.1	-54.7	-173.8	0	0	0	109.2	V239 V254 Y274 F275 G276 P277 G278 I279 I282 F304 V347 L349	V239-L241 HydrophobicContact CG1-CD2 3.69Å; V239-L241 HydrophobicContact CG1-CG 4.47Å; L241-V254 HydrophobicContact CD1-CG1 4.47Å; L241-V254 HydrophobicContact CD2-CG1 3.92Å; L241-Y274 HydrophobicContact CD1-CD1 4.19Å; L241-Y274 HydrophobicContact CG-CD1 4.41Å; L241-F275 PolarHBondContact N-O 3.21Å; L241-G276 CarbonylContact O-C 3.55Å; L241-P277 WeakPolarHBondContact O-CD 3.4Å; L241-G278 WeakPolarHBondContact O-CA 3.45Å; L241-G278 PolarHBondContact O-N 3.24Å; L241-I279 HydrophobicContact CB-CG2 4.34Å; L241-I279 HydrophobicContact CD1-CG2 4.23Å; L241-I279 HydrophobicContact CG-CG2 4.49Å; L241-I282 HydrophobicContact CD1-CD1 3.58Å; L241-F304 HydrophobicContact CD1-CE1 3.96Å; L241-F304 HydrophobicContact CD1-CZ 4.12Å; L241-V347 HydrophobicContact CD2-CB 3.88Å; L241-V347 HydrophobicContact CD2-CG1 4.5Å; L241-V347 HydrophobicContact CD2-CG2 4.41Å; L241-L349 HydrophobicContact CB-CD1 4.23Å; L241-L349 HydrophobicContact CB-CG 4.39Å; L241-L349 HydrophobicContact CD2-CD2 4.31Å
242	D	98.2	Very high	97.7	Very high	78 Å²	78	32 Å²	32	42%	0.417	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	162.3	175.6	-159	2.8	0	0	0	110.8	P277 V347 L349	D242-P277 WeakPolarHBondContact OD1-CG 3.22Å; D242-V347 PolarHBondContact N-O 2.74Å; D242-L349 VanDerWaalsContact O-CB 3.28Å; D242-L349 WeakPolarHBondContact O-CB 3.5Å; D242-L349 VanDerWaalsContact O-CG 3.27Å; D242-L349 WeakPolarHBondContact O-CG 3.19Å; D242-L349 PolarHBondContact O-N 2.97Å
243	G	98	Very high	97.9	Very high	20 Å²	20	27.6 Å²	27.6	21%	0.206	16%	0.157	C	C	.	.	S	Bend	trans	67.9	-161.6	-175.4	0	0	0	0	0	113.7	G278 S350	G243-G278 VanDerWaalsContact O-CA 3.24Å; G243-G278 WeakPolarHBondContact O-CA 3.25Å; G243-S350 WeakPolarHBondContact CA-OG 3.22Å
244	E	97.5	Very high	97.9	Very high	136 Å²	136	27.6 Å²	27.6	64%	0.636	16%	0.157	S	C	*	.			trans	-136.7	142.9	-177.3	-60	-172.6	165	0	0	111.5	L349 S350	E244-L349 CarbonylContact O-C 3.47Å; E244-S350 PolarHBondContact N-OG 3Å; E244-S350 VanDerWaalsContact N-OG 3.08Å; E244-S350 WeakPolarHBondContact O-CA 3.41Å; E244-S350 PolarHBondContact O-N 3.41Å
245	L	95.6	Very high	97.9	Very high	36 Å²	36	27.4 Å²	27.4	19%	0.188	16%	0.156	C	C	.	.			trans	-63.9	135.7	171.7	-68.3	171.1	0	0	0	110	T249 P251 V254 I282 L349 L352	L245-T249 HydrophobicContact CD2-CG2 3.6Å; L245-P251 HydrophobicContact CD1-CG 4.06Å; L245-V254 HydrophobicContact CD2-CG2 4.14Å; L245-I282 HydrophobicContact CD1-CG1 4.07Å; L245-L349 HydrophobicContact CD2-CB 4.31Å; L245-L349 HydrophobicContact CD2-CD2 4.12Å; L245-L349 HydrophobicContact CG-CB 4.41Å; L245-L349 HydrophobicContact CG-CD1 4.4Å; L245-L349 HydrophobicContact CG-CD2 4.46Å; L245-L352 HydrophobicContact CD2-CD2 4.14Å
246	S	94.8	Very high	97.9	Very high	75 Å²	75	23.6 Å²	23.6	52%	0.524	14%	0.139	S	C	.	.			trans	-141.2	154.3	-178.7	70.1	0	0	0	0	113.2	W248 T249	S246-W248 PolarHBondContact O-N 3Å; S246-T249 WeakPolarHBondContact O-CB 3.4Å; S246-T249 PolarHBondContact O-N 3.21Å; S246-T249 VanDerWaalsContact O-N 3.09Å; S246-T249 PolarHBondContact O-OG1 3.38Å
247	G	96.1	Very high	97.9	Very high	40 Å²	40	27.1 Å²	27.1	41%	0.412	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.7	-118.6	175.8	0	0	0	0	0	113.7	R402	G247-R402 PolarHBondContact O-NH2 3.3Å
248	W	97.7	Very high	97.8	Very high	16 Å²	16	27.1 Å²	27.1	6%	0.061	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-14.7	-178.8	-75.8	91.1	0	0	0	113.4	S246 P354 I406 L502 A505 P516 T517 L531 I532	S246-W248 PolarHBondContact O-N 3Å; W248-P354 HydrophobicContact CB-CB 4.3Å; W248-P354 HydrophobicContact CB-CG 3.39Å; W248-I406 HydrophobicContact CH2-CD1 3.46Å; W248-I406 VanDerWaalsContact CH2-CD1 3.46Å; W248-I406 HydrophobicContact CH2-CG1 4.14Å; W248-I406 HydrophobicContact CZ2-CD1 4.17Å; W248-I406 HydrophobicContact CZ3-CD1 3.97Å; W248-I406 HydrophobicContact CZ3-CG1 4.28Å; W248-L502 HydrophobicContact CE3-CD1 4.48Å; W248-A505 HydrophobicContact CH2-CB 4.04Å; W248-A505 HydrophobicContact CZ3-CB 3.95Å; W248-P516 HydrophobicContact CD2-CB 4.35Å; W248-P516 HydrophobicContact CD2-CG 4.02Å; W248-P516 HydrophobicContact CE3-CB 4.4Å; W248-P516 HydrophobicContact CE3-CG 3.92Å; W248-P516 HydrophobicContact CH2-CB 3.57Å; W248-P516 HydrophobicContact CH2-CG 3.96Å; W248-P516 HydrophobicContact CZ2-CB 3.5Å; W248-P516 HydrophobicContact CZ2-CG 4.07Å; W248-P516 HydrophobicContact CZ3-CB 4.03Å; W248-P516 HydrophobicContact CZ3-CG 3.88Å; W248-T517 HydrophobicContact CG-CG2 4.41Å; W248-L531 HydrophobicContact CH2-CB 4.04Å; W248-L531 HydrophobicContact CH2-CD1 4.28Å; W248-L531 HydrophobicContact CZ2-CB 3.84Å; W248-I532 WeakPolarHBondContact CZ2-O 3.42Å
249	T	97.5	Very high	97.8	Very high	11 Å²	11	27.2 Å²	27.2	7%	0.067	15%	0.153	C	C	.	.			trans	-73.4	139.2	-178.6	-45	0	0	0	0	109.8	L245 S246 D253 L352	L245-T249 HydrophobicContact CD2-CG2 3.6Å; S246-T249 WeakPolarHBondContact O-CB 3.4Å; S246-T249 PolarHBondContact O-N 3.21Å; S246-T249 VanDerWaalsContact O-N 3.09Å; S246-T249 PolarHBondContact O-OG1 3.38Å; T249-D253 HydrophobicContact CG2-CB 3.85Å; T249-L352 WeakPolarHBondContact CB-O 3.4Å; T249-L352 HydrophobicContact CG2-CB 3.92Å; T249-L352 HydrophobicContact CG2-CD2 3.79Å; T249-L352 HydrophobicContact CG2-CG 3.66Å; T249-L352 WeakPolarHBondContact CG2-O 3.35Å; T249-L352 PolarHBondContact OG1-O 2.88Å
250	S	97.7	Very high	97.7	Very high	5 Å²	5	30.7 Å²	30.7	4%	0.035	17%	0.169	C	C	.	.			trans	-132.3	168.1	-171.4	72.2	0	0	0	0	110.7	K252 D253 S499 E501	S250-K252 PolarHBondContact O-N 2.84Å; S250-K252 VanDerWaalsContact O-N 3.14Å; S250-K252 WeakPolarHBondContact OG-CB 3.37Å; S250-K252 PolarHBondContact OG-N 3.1Å; S250-D253 WeakPolarHBondContact CB-OD2 3.17Å; S250-D253 PolarHBondContact N-OD2 3.32Å; S250-D253 WeakPolarHBondContact O-CB 3.4Å; S250-D253 PolarHBondContact O-N 3.44Å; S250-D253 PolarHBondContact OG-OD2 3.27Å; S250-S499 WeakPolarHBondContact OG-CB 3.27Å; S250-E501 VanDerWaalsContact CB-OE1 3.29Å; S250-E501 WeakPolarHBondContact CB-OE1 3.38Å
251	P	98.3	Very high	97.6	Very high	16 Å²	16	31.6 Å²	31.6	10%	0.104	18%	0.176	C	C	.	.	H	α-helix	trans	-55.2	-31.5	173	-25.9	35.3	0	0	0	113.1	L245 D253 V254 I282 G286 I290	L245-P251 HydrophobicContact CD1-CG 4.06Å; P251-D253 VanDerWaalsContact C-N 3.27Å; P251-D253 PolarHBondContact O-N 2.81Å; P251-V254 WeakPolarHBondContact O-CB 3.45Å; P251-V254 PolarHBondContact O-N 2.88Å; P251-I282 HydrophobicContact CB-CG2 4.1Å; P251-I282 HydrophobicContact CG-CG2 4.05Å; P251-G286 VanDerWaalsContact CB-CA 3.46Å; P251-G286 WeakPolarHBondContact CB-O 3.29Å; P251-I290 HydrophobicContact CB-CD1 4.13Å; P251-I290 HydrophobicContact CB-CG1 4.23Å; P251-I290 WeakPolarHBondContact O-CG1 3.19Å
252	K	98.5	Very high	97.6	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-60.3	-36.5	177.1	178.7	55.5	161.8	-77.2	0	112.2	S250 V254 I255 L256 T289 M293 N394 S478 Y479 S498	S250-K252 PolarHBondContact O-N 2.84Å; S250-K252 VanDerWaalsContact O-N 3.14Å; S250-K252 WeakPolarHBondContact OG-CB 3.37Å; S250-K252 PolarHBondContact OG-N 3.1Å; K252-V254 VanDerWaalsContact C-N 3.26Å; K252-V254 PolarHBondContact O-N 3.12Å; K252-I255 HydrophobicContact CD-CG2 4.24Å; K252-I255 VanDerWaalsContact O-CG2 3.24Å; K252-I255 WeakPolarHBondContact O-CG2 3.33Å; K252-I255 PolarHBondContact O-N 2.96Å; K252-L256 HydrophobicContact CD-CD1 4.24Å; K252-L256 HydrophobicContact CD-CD2 4.46Å; K252-L256 HydrophobicContact CD-CG 4.1Å; K252-L256 HydrophobicContact CG-CD1 3.93Å; K252-L256 HydrophobicContact CG-CG 4.25Å; K252-L256 VanDerWaalsContact O-CG 3.3Å; K252-L256 WeakPolarHBondContact O-CG 3.44Å; K252-L256 PolarHBondContact O-N 3.35Å; K252-T289 HydrophobicContact CB-CG2 4.05Å; K252-T289 HydrophobicContact CD-CG2 4.18Å; K252-M293 HydrophobicContact CD-SD 3.69Å; K252-M293 WeakPolarHBondContact CE-SD 3.44Å; K252-N394 PolarHBondContact NZ-OD1 3.43Å; K252-S478 PolarHBondContact NZ-O 2.88Å; K252-S478 VanDerWaalsContact NZ-O 3.09Å; K252-Y479 WeakPolarHBondContact CE-O 3.48Å; K252-Y479 PolarHBondContact NZ-O 3Å; K252-S498 WeakPolarHBondContact CE-O 3.39Å; K252-S498 PolarHBondContact NZ-O 3.43Å
253	D	98.4	Very high	97.5	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-67.1	-29.3	-178.8	-58.8	-65.1	0	0	0	112	T249 S250 P251 I255 L256 R257 L352 R355	T249-D253 HydrophobicContact CG2-CB 3.85Å; S250-D253 WeakPolarHBondContact CB-OD2 3.17Å; S250-D253 PolarHBondContact N-OD2 3.32Å; S250-D253 WeakPolarHBondContact O-CB 3.4Å; S250-D253 PolarHBondContact O-N 3.44Å; S250-D253 PolarHBondContact OG-OD2 3.27Å; P251-D253 VanDerWaalsContact C-N 3.27Å; P251-D253 PolarHBondContact O-N 2.81Å; D253-I255 PolarHBondContact O-N 2.88Å; D253-L256 PolarHBondContact O-N 3.25Å; D253-R257 WeakPolarHBondContact O-CB 3.33Å; D253-R257 PolarHBondContact O-N 2.58Å; D253-L352 HydrophobicContact CB-CD2 3.93Å; D253-L352 HydrophobicContact CB-CG 4.19Å; D253-R355 HydrophobicContact CB-CG 3.84Å; D253-R355 WeakPolarHBondContact O-CD 3.21Å; D253-R355 WeakPolarHBondContact OD1-CG 3.49Å; D253-R355 PolarHBondContact OD1-N 3.23Å
254	V	98.6	Very high	97.2	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-61.3	-49.1	177.6	-178	0	0	0	0	110.3	L241 L245 P251 K252 R257 L258 I290 L349 L352	L241-V254 HydrophobicContact CD1-CG1 4.47Å; L241-V254 HydrophobicContact CD2-CG1 3.92Å; L245-V254 HydrophobicContact CD2-CG2 4.14Å; P251-V254 WeakPolarHBondContact O-CB 3.45Å; P251-V254 PolarHBondContact O-N 2.88Å; K252-V254 VanDerWaalsContact C-N 3.26Å; K252-V254 PolarHBondContact O-N 3.12Å; V254-R257 PolarHBondContact O-N 2.94Å; V254-L258 HydrophobicContact CG1-CD1 4.34Å; V254-L258 WeakPolarHBondContact O-CG 3.27Å; V254-L258 PolarHBondContact O-N 2.84Å; V254-I290 HydrophobicContact CB-CD1 3.84Å; V254-I290 HydrophobicContact CB-CG1 4.13Å; V254-I290 HydrophobicContact CG1-CD1 4.09Å; V254-I290 HydrophobicContact CG2-CD1 4.09Å; V254-L349 HydrophobicContact CG2-CD2 3.57Å; V254-L352 HydrophobicContact CB-CD2 4.37Å; V254-L352 HydrophobicContact CG2-CD2 3.74Å
255	I	98.4	Very high	96.9	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-76.1	-29.8	-179.1	-170.6	54.2	0	0	0	112.6	K252 D253 R257 L258 A259 I290 M293	K252-I255 HydrophobicContact CD-CG2 4.24Å; K252-I255 VanDerWaalsContact O-CG2 3.24Å; K252-I255 WeakPolarHBondContact O-CG2 3.33Å; K252-I255 PolarHBondContact O-N 2.96Å; D253-I255 PolarHBondContact O-N 2.88Å; I255-R257 VanDerWaalsContact C-N 3.3Å; I255-R257 PolarHBondContact O-N 3.03Å; I255-L258 HydrophobicContact CD1-CB 4.03Å; I255-L258 HydrophobicContact CD1-CD1 4.21Å; I255-L258 PolarHBondContact O-N 2.92Å; I255-A259 WeakPolarHBondContact O-CB 3.45Å; I255-A259 PolarHBondContact O-N 3.16Å; I255-I290 HydrophobicContact CB-CB 4.49Å; I255-I290 HydrophobicContact CB-CG2 4.29Å; I255-I290 WeakPolarHBondContact CG1-O 3.34Å; I255-M293 HydrophobicContact CB-CB 4.17Å; I255-M293 HydrophobicContact CD1-CB 4.41Å; I255-M293 HydrophobicContact CG1-CB 3.3Å; I255-M293 HydrophobicContact CG2-CB 3.8Å; I255-M293 HydrophobicContact CG2-CG 4.45Å; I255-M293 HydrophobicContact CG2-SD 4.05Å
256	L	98.5	Very high	96.9	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-65.4	-34.2	170.5	-67.7	179.5	0	0	0	112.1	K252 D253 E260 M293 R355 N357 V497	K252-L256 HydrophobicContact CD-CD1 4.24Å; K252-L256 HydrophobicContact CD-CD2 4.46Å; K252-L256 HydrophobicContact CD-CG 4.1Å; K252-L256 HydrophobicContact CG-CD1 3.93Å; K252-L256 HydrophobicContact CG-CG 4.25Å; K252-L256 VanDerWaalsContact O-CG 3.3Å; K252-L256 WeakPolarHBondContact O-CG 3.44Å; K252-L256 PolarHBondContact O-N 3.35Å; D253-L256 PolarHBondContact O-N 3.25Å; L256-E260 PolarHBondContact O-N 2.68Å; L256-M293 HydrophobicContact CD2-CE 3.67Å; L256-M293 HydrophobicContact CD2-SD 4.32Å; L256-R355 HydrophobicContact CB-CG 3.91Å; L256-R355 HydrophobicContact CD1-CG 4.13Å; L256-N357 HydrophobicContact CD2-CB 4.01Å; L256-N357 PolarHBondContact O-ND2 2.81Å; L256-V497 HydrophobicContact CD2-CG2 3.98Å
257	R	97.9	Very high	97	Very high	77 Å²	77	24 Å²	24	29%	0.291	14%	0.136	S	C	.	.	H	α-helix	trans	-69.5	-42.2	171.1	177.1	57	175.5	167.5	-0.8	112.3	D253 V254 I255 A259 E260 L261 L352 R355	D253-R257 WeakPolarHBondContact O-CB 3.33Å; D253-R257 PolarHBondContact O-N 2.58Å; V254-R257 PolarHBondContact O-N 2.94Å; I255-R257 VanDerWaalsContact C-N 3.3Å; I255-R257 PolarHBondContact O-N 3.03Å; R257-A259 VanDerWaalsContact C-N 3.3Å; R257-A259 PolarHBondContact O-N 2.73Å; R257-E260 WeakPolarHBondContact CD-OE2 3.48Å; R257-E260 IonicContact CZ-OE2 3.21Å; R257-E260 IonicContact NE-OE2 3.94Å; R257-E260 IonicContact NH1-OE1 2.83Å; R257-E260 PolarHBondContact NH1-OE1 2.87Å; R257-E260 IonicContact NH1-OE2 2.7Å; R257-E260 PolarHBondContact NH1-OE2 2.94Å; R257-E260 WeakPolarHBondContact O-CB 3.15Å; R257-E260 PolarHBondContact O-N 3.02Å; R257-L261 HydrophobicContact CG-CD1 4.27Å; R257-L261 WeakPolarHBondContact O-CG 3.32Å; R257-L261 PolarHBondContact O-N 3.1Å; R257-L261 VanDerWaalsContact O-N 3.09Å; R257-L352 HydrophobicContact CB-CD1 3.86Å; R257-L352 HydrophobicContact CG-CD1 4.11Å; R257-R355 VanDerWaalsContact CA-NH1 3.31Å
258	L	97.9	Very high	97	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-65	-36.5	175.2	-71	169	0	0	0	112.1	V239 V254 I255 E260 L261 L262 Y274 I345 V347	V239-L258 HydrophobicContact CG1-CD1 4.07Å; V239-L258 HydrophobicContact CG1-CD2 3.99Å; V239-L258 HydrophobicContact CG2-CD1 4.24Å; V239-L258 HydrophobicContact CG2-CD2 4.02Å; V254-L258 HydrophobicContact CG1-CD1 4.34Å; V254-L258 WeakPolarHBondContact O-CG 3.27Å; V254-L258 PolarHBondContact O-N 2.84Å; I255-L258 HydrophobicContact CD1-CB 4.03Å; I255-L258 HydrophobicContact CD1-CD1 4.21Å; I255-L258 PolarHBondContact O-N 2.92Å; L258-E260 VanDerWaalsContact C-N 3.31Å; L258-E260 PolarHBondContact O-N 2.89Å; L258-L261 PolarHBondContact O-N 2.98Å; L258-L262 VanDerWaalsContact O-CB 3.25Å; L258-L262 WeakPolarHBondContact O-CB 3.49Å; L258-L262 WeakPolarHBondContact O-CG 3.37Å; L258-L262 PolarHBondContact O-N 3.03Å; L258-Y274 HydrophobicContact CD1-CE1 3.59Å; L258-I345 HydrophobicContact CD2-CD1 4.44Å; L258-I345 HydrophobicContact CD2-CG2 3.9Å; L258-V347 HydrophobicContact CD2-CG2 4.06Å
259	A	97.7	Very high	96.9	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.008	14%	0.144	C	C	.	.	H	α-helix	trans	-61	-40.7	174.4	0	0	0	0	0	112	I255 R257 T263 V297 P362 D363	I255-A259 WeakPolarHBondContact O-CB 3.45Å; I255-A259 PolarHBondContact O-N 3.16Å; R257-A259 VanDerWaalsContact C-N 3.3Å; R257-A259 PolarHBondContact O-N 2.73Å; A259-T263 VanDerWaalsContact O-CA 3.25Å; A259-T263 WeakPolarHBondContact O-CA 3.5Å; A259-T263 PolarHBondContact O-N 3.42Å; A259-V297 HydrophobicContact CB-CG1 3.99Å; A259-P362 WeakPolarHBondContact CB-O 3.37Å; A259-D363 HydrophobicContact CB-CB 4.41Å; A259-D363 WeakPolarHBondContact O-CB 3.47Å
260	E	97.1	Very high	97	Very high	73 Å²	73	26.6 Å²	26.6	34%	0.341	15%	0.148	S	C	.	.	H	α-helix	trans	-59.7	-47.3	172.3	-171.1	-169.6	165.5	0	0	112.2	L256 R257 L258 R355 D363 A365	L256-E260 PolarHBondContact O-N 2.68Å; R257-E260 WeakPolarHBondContact CD-OE2 3.48Å; R257-E260 IonicContact CZ-OE2 3.21Å; R257-E260 IonicContact NE-OE2 3.94Å; R257-E260 IonicContact NH1-OE1 2.83Å; R257-E260 PolarHBondContact NH1-OE1 2.87Å; R257-E260 IonicContact NH1-OE2 2.7Å; R257-E260 PolarHBondContact NH1-OE2 2.94Å; R257-E260 WeakPolarHBondContact O-CB 3.15Å; R257-E260 PolarHBondContact O-N 3.02Å; L258-E260 VanDerWaalsContact C-N 3.31Å; L258-E260 PolarHBondContact O-N 2.89Å; E260-R355 IonicContact OE2-CZ 3.97Å; E260-R355 IonicContact OE2-NH1 3.32Å; E260-R355 PolarHBondContact OE2-NH1 2.99Å; E260-R355 IonicContact OE2-NH2 2.67Å; E260-R355 PolarHBondContact OE2-NH2 2.83Å; E260-D363 WeakPolarHBondContact CA-O 3.39Å; E260-A365 HydrophobicContact CB-CB 3.63Å; E260-A365 HydrophobicContact CG-CB 3.71Å
261	L	97.2	Very high	97	Very high	79 Å²	79	26.3 Å²	26.3	41%	0.414	15%	0.146	S	C	.	.	H	α-helix	trans	-70.4	-37.9	-176.2	-68.7	173.7	0	0	0	112.9	R257 L258 I345	R257-L261 HydrophobicContact CG-CD1 4.27Å; R257-L261 WeakPolarHBondContact O-CG 3.32Å; R257-L261 PolarHBondContact O-N 3.1Å; R257-L261 VanDerWaalsContact O-N 3.09Å; L258-L261 PolarHBondContact O-N 2.98Å; L261-I345 HydrophobicContact CD1-CG2 4.03Å
262	L	97.6	Very high	97.1	Very high	10 Å²	10	25.6 Å²	25.6	5%	0.052	14%	0.141	C	C	.	.	H	α-helix	trans	-93.9	-21.5	-173.6	-68.7	175.7	0	0	0	113	M237 L258 G266 I272 V297 I345	M237-L262 HydrophobicContact CE-CD1 4.47Å; M237-L262 HydrophobicContact CE-CD2 3.71Å; M237-L262 HydrophobicContact SD-CD1 3.73Å; M237-L262 HydrophobicContact SD-CD2 3.68Å; M237-L262 HydrophobicContact SD-CG 4.34Å; L258-L262 VanDerWaalsContact O-CB 3.25Å; L258-L262 WeakPolarHBondContact O-CB 3.49Å; L258-L262 WeakPolarHBondContact O-CG 3.37Å; L258-L262 PolarHBondContact O-N 3.03Å; L262-G266 WeakPolarHBondContact O-CA 3.06Å; L262-G266 PolarHBondContact O-N 2.95Å; L262-I272 HydrophobicContact CD1-CD1 4.14Å; L262-V297 HydrophobicContact CB-CB 4.15Å; L262-V297 HydrophobicContact CB-CG1 4.06Å; L262-V297 HydrophobicContact CD1-CB 4.3Å; L262-V297 HydrophobicContact CD1-CG1 4.41Å; L262-V297 HydrophobicContact CD1-CG2 4.08Å; L262-I345 HydrophobicContact CD1-CD1 4.38Å; L262-I345 HydrophobicContact CD2-CD1 3.53Å; L262-I345 HydrophobicContact CG-CD1 4.01Å
263	T	96.1	Very high	97.1	Very high	69 Å²	69	25.8 Å²	25.8	42%	0.423	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	179.6	-163.9	78.1	0	0	0	0	112.4	A259 K265 D363	A259-T263 VanDerWaalsContact O-CA 3.25Å; A259-T263 WeakPolarHBondContact O-CA 3.5Å; A259-T263 PolarHBondContact O-N 3.42Å; T263-K265 PolarHBondContact O-N 3.02Å; T263-D363 VanDerWaalsContact CA-OD2 3.29Å; T263-D363 WeakPolarHBondContact CA-OD2 3.35Å; T263-D363 WeakPolarHBondContact CB-OD2 3.41Å
264	A	91.9	Very high	97.1	Very high	6 Å²	6	25.8 Å²	25.8	5%	0.05	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-7.3	178.6	0	0	0	0	0	115.4	E296 V297 D363 E674	A264-E296 WeakPolarHBondContact CA-O 3.39Å; A264-V297 CarbonylContact O-C 3.53Å; A264-D363 PolarHBondContact N-OD2 3.13Å; A264-E674 WeakPolarHBondContact CB-OE1 3.35Å
265	K	91.1	Very high	97.1	Very high	75 Å²	75	28.4 Å²	28.4	33%	0.326	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.8	-19.5	-172.6	-58.6	-179.3	-169.3	-157.8	0	114.5	T263 G267 T268 V297 D670 N671	T263-K265 PolarHBondContact O-N 3.02Å; K265-G267 PolarHBondContact O-N 3.02Å; K265-G267 VanDerWaalsContact O-N 3.12Å; K265-T268 VanDerWaalsContact O-CB 3.26Å; K265-T268 WeakPolarHBondContact O-CB 3.5Å; K265-T268 PolarHBondContact O-N 3.01Å; K265-T268 PolarHBondContact O-OG1 2.55Å; K265-V297 CarbonylContact C-O 3.53Å; K265-D670 PolarHBondContact NZ-O 3.44Å; K265-N671 HydrophobicContact CD-CB 3.58Å; K265-N671 HydrophobicContact CG-CB 3.8Å; K265-N671 VanDerWaalsContact NZ-CB 3.25Å
266	G	95.4	Very high	97.1	Very high	26 Å²	26	29.4 Å²	29.4	27%	0.268	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-19.8	-168.3	0	0	0	0	0	114.7	M237 L262	M237-G266 WeakPolarHBondContact CE-O 3.48Å; L262-G266 WeakPolarHBondContact O-CA 3.06Å; L262-G266 PolarHBondContact O-N 2.95Å
267	G	97.1	Very high	97	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-4.7	172.9	0	0	0	0	0	114.6	K265 G269 Y270 V297 G298 A299	K265-G267 PolarHBondContact O-N 3.02Å; K265-G267 VanDerWaalsContact O-N 3.12Å; G267-G269 PolarHBondContact O-N 3.45Å; G267-G269 VanDerWaalsContact O-N 3.14Å; G267-Y270 WeakPolarHBondContact O-CB 3.21Å; G267-Y270 PolarHBondContact O-N 2.74Å; G267-V297 WeakPolarHBondContact CA-O 3.5Å; G267-V297 PolarHBondContact N-O 2.82Å; G267-G298 CarbonylContact C-O 3.45Å; G267-A299 VanDerWaalsContact O-CA 3.32Å; G267-A299 WeakPolarHBondContact O-CA 3.29Å
268	T	96.2	Very high	97	Very high	52 Å²	52	29.5 Å²	29.5	32%	0.319	18%	0.175	S	C	.	.	B	Isolated β-bridge	trans	-58.9	120	-173.7	-55	0	0	0	0	111.6	K265 Y270 G298	K265-T268 VanDerWaalsContact O-CB 3.26Å; K265-T268 WeakPolarHBondContact O-CB 3.5Å; K265-T268 PolarHBondContact O-N 3.01Å; K265-T268 PolarHBondContact O-OG1 2.55Å; T268-Y270 VanDerWaalsContact C-N 3.28Å; T268-Y270 WeakPolarHBondContact O-CD2 3.41Å; T268-G298 WeakPolarHBondContact CA-O 3.32Å
269	G	96.2	Very high	97	Very high	32 Å²	32	30 Å²	30	33%	0.33	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.7	6.1	-178	0	0	0	0	0	114.7	P234 K235 G267	P234-G269 WeakPolarHBondContact CA-O 3.41Å; K235-G269 PolarHBondContact N-O 3.19Å; G267-G269 PolarHBondContact O-N 3.45Å; G267-G269 VanDerWaalsContact O-N 3.14Å
270	Y	98.6	Very high	97	Very high	37 Å²	37	35 Å²	35	15%	0.145	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	151.7	173.2	-69.5	-101.6	0	0	0	111.8	K235 M237 G267 T268 T300 D342 Q343	K235-Y270 HydrophobicContact CB-CD1 3.44Å; K235-Y270 VanDerWaalsContact CB-CD1 3.44Å; K235-Y270 HydrophobicContact CB-CD2 4.45Å; K235-Y270 HydrophobicContact CB-CE1 3.41Å; K235-Y270 VanDerWaalsContact CB-CE1 3.41Å; K235-Y270 HydrophobicContact CB-CE2 4.37Å; K235-Y270 HydrophobicContact CB-CG 4Å; K235-Y270 HydrophobicContact CD-CE1 3.92Å; K235-Y270 HydrophobicContact CD-CE2 4.2Å; K235-Y270 WeakPolarHBondContact CD-OH 3.46Å; K235-Y270 HydrophobicContact CG-CE1 4.33Å; K235-Y270 CarbonylContact O-C 3.54Å; K235-Y270 WeakPolarHBondContact O-CA 3.19Å; M237-Y270 HydrophobicContact CB-CD1 3.78Å; M237-Y270 HydrophobicContact CB-CG 4.3Å; M237-Y270 HydrophobicContact CE-CD1 4.18Å; M237-Y270 HydrophobicContact CE-CD2 4.39Å; M237-Y270 HydrophobicContact CE-CE1 4.5Å; M237-Y270 HydrophobicContact CE-CG 4.12Å; G267-Y270 WeakPolarHBondContact O-CB 3.21Å; G267-Y270 PolarHBondContact O-N 2.74Å; T268-Y270 VanDerWaalsContact C-N 3.28Å; T268-Y270 WeakPolarHBondContact O-CD2 3.41Å; Y270-T300 WeakPolarHBondContact O-CB 3.43Å; Y270-T300 PolarHBondContact O-N 2.81Å; Y270-T300 PolarHBondContact O-OG1 3.35Å; Y270-D342 HydrophobicContact CE1-CB 3.94Å; Y270-Q343 HydrophobicContact CE1-CB 4.23Å
271	I	98.9	Very high	96.8	Very high	0 Å²	0	33 Å²	33	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	131.9	151.4	-68.6	172.9	0	0	0	107.2	A73 L211 P234 K235 I236 M237 T301 V303	A73-I271 HydrophobicContact CB-CB 4.22Å; A73-I271 HydrophobicContact CB-CD1 4.12Å; A73-I271 HydrophobicContact CB-CG2 3.66Å; L211-I271 HydrophobicContact CD1-CD1 4.28Å; L211-I271 HydrophobicContact CD2-CD1 4.36Å; L211-I271 HydrophobicContact CD2-CG2 4.33Å; P234-I271 HydrophobicContact CB-CB 4.49Å; P234-I271 HydrophobicContact CB-CD1 4.07Å; P234-I271 HydrophobicContact CB-CG1 3.76Å; P234-I271 HydrophobicContact CG-CD1 3.82Å; P234-I271 HydrophobicContact CG-CG1 3.89Å; K235-I271 PolarHBondContact O-N 2.84Å; I236-I271 HydrophobicContact CD1-CB 4.15Å; M237-I271 PolarHBondContact N-O 2.86Å; I271-T301 WeakPolarHBondContact CA-O 3.35Å; I271-T301 HydrophobicContact CD1-CG2 4.07Å; I271-T301 HydrophobicContact CG1-CG2 3.85Å; I271-T301 HydrophobicContact CG2-CG2 4.1Å; I271-V303 HydrophobicContact CG2-CG1 4.29Å
272	I	98.9	Very high	96.9	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	116.4	174.8	-56.5	176.5	0	0	0	108.9	M237 V239 L262 Y274 V297 A299 T301 S302 V303	M237-I272 HydrophobicContact CB-CG1 4.48Å; M237-I272 CarbonylContact O-C 3.46Å; M237-I272 WeakPolarHBondContact O-CA 3.34Å; M237-I272 HydrophobicContact SD-CG1 4.36Å; V239-I272 HydrophobicContact CB-CG2 4.41Å; V239-I272 HydrophobicContact CG2-CG2 3.54Å; L262-I272 HydrophobicContact CD1-CD1 4.14Å; I272-Y274 HydrophobicContact CG2-CE1 4.08Å; I272-Y274 HydrophobicContact CG2-CE2 3.9Å; I272-V297 HydrophobicContact CD1-CG2 3.68Å; I272-A299 HydrophobicContact CD1-CB 3.78Å; I272-A299 HydrophobicContact CG1-CB 3.9Å; I272-T301 PolarHBondContact N-O 2.74Å; I272-S302 CarbonylContact O-C 3.54Å; I272-S302 WeakPolarHBondContact O-CA 3.24Å; I272-S302 WeakPolarHBondContact O-CB 3.33Å; I272-V303 PolarHBondContact O-N 3.03Å
273	E	98.9	Very high	96.9	Very high	4 Å²	4	28.9 Å²	28.9	2%	0.019	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	118.2	179.3	-176	164.6	135.7	0	0	110.2	T71 L72 A73 I236 M237 G238 V239 V303 Y341	T71-E273 WeakPolarHBondContact CB-OE2 3.47Å; L72-E273 HydrophobicContact CB-CG 4.43Å; L72-E273 WeakPolarHBondContact CB-OE1 3.43Å; L72-E273 WeakPolarHBondContact CB-OE2 3.24Å; L72-E273 VanDerWaalsContact N-CD 3.32Å; L72-E273 PolarHBondContact N-OE1 3.06Å; L72-E273 PolarHBondContact N-OE2 2.81Å; A73-E273 WeakPolarHBondContact CB-OE2 3.2Å; A73-E273 PolarHBondContact N-OE2 3.37Å; I236-E273 HydrophobicContact CG2-CB 3.98Å; M237-E273 PolarHBondContact O-N 3.15Å; G238-E273 CarbonylContact C-O 3.49Å; G238-E273 WeakPolarHBondContact CA-O 3.33Å; V239-E273 PolarHBondContact N-O 3.12Å; E273-V303 HydrophobicContact CB-CG1 4.35Å; E273-V303 HydrophobicContact CG-CG1 4.26Å; E273-Y341 HydrophobicContact CB-CE1 4.09Å; E273-Y341 HydrophobicContact CG-CE1 4.12Å; E273-Y341 PolarHBondContact OE1-OH 3.4Å
274	Y	98.9	Very high	97.1	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	134.1	180	-61.8	-84.1	0	0	0	111	V239 L241 L258 I272 I290 V303 F304 P305	V239-Y274 HydrophobicContact CB-CD1 3.66Å; V239-Y274 HydrophobicContact CB-CE1 3.84Å; V239-Y274 HydrophobicContact CG1-CD1 3.8Å; V239-Y274 HydrophobicContact CG1-CE1 3.88Å; V239-Y274 HydrophobicContact CG2-CD1 4.41Å; V239-Y274 HydrophobicContact CG2-CE1 4.14Å; V239-Y274 WeakPolarHBondContact O-CA 3.2Å; L241-Y274 HydrophobicContact CD1-CD1 4.19Å; L241-Y274 HydrophobicContact CG-CD1 4.41Å; L258-Y274 HydrophobicContact CD1-CE1 3.59Å; I272-Y274 HydrophobicContact CG2-CE1 4.08Å; I272-Y274 HydrophobicContact CG2-CE2 3.9Å; Y274-I290 HydrophobicContact CD1-CG2 4.31Å; Y274-I290 HydrophobicContact CD2-CG2 4.39Å; Y274-I290 HydrophobicContact CE1-CG2 3.56Å; Y274-I290 HydrophobicContact CE2-CG2 3.62Å; Y274-I290 WeakPolarHBondContact OH-CG2 3.35Å; Y274-V303 WeakPolarHBondContact CD2-O 3.35Å; Y274-V303 PolarHBondContact N-O 3.35Å; Y274-F304 HydrophobicContact CD1-CE1 4.42Å; Y274-F304 HydrophobicContact CD1-CE2 4.23Å; Y274-F304 AromaticContact CD1-CZ 3.85Å; Y274-F304 HydrophobicContact CD1-CZ 3.85Å; Y274-F304 AromaticContact CD2-CD2 3.55Å; Y274-F304 HydrophobicContact CD2-CD2 3.55Å; Y274-F304 HydrophobicContact CD2-CE1 4.33Å; Y274-F304 AromaticContact CD2-CE2 3.2Å; Y274-F304 HydrophobicContact CD2-CE2 3.2Å; Y274-F304 HydrophobicContact CD2-CG 4.25Å; Y274-F304 AromaticContact CD2-CZ 3.65Å; Y274-F304 HydrophobicContact CD2-CZ 3.65Å; Y274-F304 HydrophobicContact CE2-CD2 4.32Å; Y274-F304 AromaticContact CE2-CE2 3.74Å; Y274-F304 HydrophobicContact CE2-CE2 3.74Å; Y274-F304 HydrophobicContact CE2-CZ 4.32Å; Y274-F304 HydrophobicContact CG-CD1 4.3Å; Y274-F304 HydrophobicContact CG-CD2 4.02Å; Y274-F304 AromaticContact CG-CE1 3.82Å; Y274-F304 HydrophobicContact CG-CE1 3.82Å; Y274-F304 AromaticContact CG-CE2 3.5Å; Y274-F304 HydrophobicContact CG-CE2 3.5Å; Y274-F304 HydrophobicContact CG-CG 4.39Å; Y274-F304 AromaticContact CG-CZ 3.38Å; Y274-F304 HydrophobicContact CG-CZ 3.38Å; Y274-P305 WeakPolarHBondContact O-CD 3.27Å
275	F	98.5	Very high	97.4	Very high	56 Å²	56	25.8 Å²	25.8	25%	0.246	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	-177.6	178.8	75.1	-74.9	0	0	0	111.3	V239 K240 L241 Y341 L344	V239-F275 PolarHBondContact O-N 3.12Å; K240-F275 CarbonylContact C-O 3.49Å; K240-F275 WeakPolarHBondContact CA-O 3.39Å; K240-F275 HydrophobicContact CB-CD1 4.42Å; K240-F275 HydrophobicContact CB-CE1 3.81Å; K240-F275 HydrophobicContact CB-CE2 4.06Å; K240-F275 HydrophobicContact CB-CZ 3.62Å; K240-F275 HydrophobicContact CD-CE2 4.34Å; K240-F275 HydrophobicContact CD-CZ 4.41Å; K240-F275 HydrophobicContact CG-CD2 4.49Å; K240-F275 HydrophobicContact CG-CE2 4Å; K240-F275 HydrophobicContact CG-CZ 4.07Å; L241-F275 PolarHBondContact N-O 3.21Å; F275-Y341 AromaticContact CD1-CE2 3.84Å; F275-Y341 HydrophobicContact CD1-CE2 3.84Å; F275-Y341 AromaticContact CD1-CZ 3.81Å; F275-Y341 HydrophobicContact CE1-CD2 4.01Å; F275-Y341 AromaticContact CE1-CE2 3.39Å; F275-Y341 HydrophobicContact CE1-CE2 3.39Å; F275-Y341 AromaticContact CE1-CZ 3.85Å; F275-Y341 HydrophobicContact CE2-CE2 4.12Å; F275-Y341 HydrophobicContact CG-CE2 4.37Å; F275-Y341 HydrophobicContact CZ-CD2 4.15Å; F275-Y341 AromaticContact CZ-CE2 3.54Å; F275-Y341 HydrophobicContact CZ-CE2 3.54Å; F275-L344 HydrophobicContact CE1-CD1 3.64Å; F275-L344 HydrophobicContact CZ-CD1 3.53Å
276	G	97.8	Very high	97.7	Very high	21 Å²	21	22.2 Å²	22.2	22%	0.216	14%	0.138	C	C	.	.	S	Bend	trans	97.2	170.3	-178.6	0	0	0	0	0	113.2	L241 G278 I279	L241-G276 CarbonylContact O-C 3.55Å; G276-G278 VanDerWaalsContact C-N 3.29Å; G276-G278 PolarHBondContact O-N 3.11Å; G276-I279 VanDerWaalsContact O-CG1 3.27Å; G276-I279 WeakPolarHBondContact O-CG1 3.47Å; G276-I279 WeakPolarHBondContact O-CG2 3.49Å; G276-I279 PolarHBondContact O-N 3.13Å
277	P	97.6	Very high	97.9	Very high	77 Å²	77	21 Å²	21	50%	0.5	13%	0.125	S	C	.	.	G	3₁₀ helix	trans	-64.8	-32.1	-173.1	26.7	-35.1	0	0	0	112.9	L241 D242 I279 H280	L241-P277 WeakPolarHBondContact O-CD 3.4Å; D242-P277 WeakPolarHBondContact OD1-CG 3.22Å; P277-I279 PolarHBondContact O-N 2.81Å; P277-I279 VanDerWaalsContact O-N 3.12Å; P277-H280 PolarHBondContact O-CD2 3.45Å; P277-H280 PolarHBondContact O-N 3.09Å
278	G	98.2	Very high	98	Very high	1 Å²	1	21 Å²	21	1%	0.01	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-64.3	-19.2	-176.4	0	0	0	0	0	114.2	L241 G243 G276 H280 S281 L349	L241-G278 WeakPolarHBondContact O-CA 3.45Å; L241-G278 PolarHBondContact O-N 3.24Å; G243-G278 VanDerWaalsContact O-CA 3.24Å; G243-G278 WeakPolarHBondContact O-CA 3.25Å; G276-G278 VanDerWaalsContact C-N 3.29Å; G276-G278 PolarHBondContact O-N 3.11Å; G278-H280 PolarHBondContact O-N 2.79Å; G278-H280 VanDerWaalsContact O-N 3.16Å; G278-S281 WeakPolarHBondContact O-CB 3.41Å; G278-S281 PolarHBondContact O-N 3.29Å; G278-S281 PolarHBondContact O-OG 3.13Å; G278-L349 WeakPolarHBondContact O-CD1 3.11Å
279	I	97.9	Very high	98.1	Very high	10 Å²	10	18.6 Å²	18.6	5%	0.051	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-59.8	-28.7	176.6	75.1	-175.3	0	0	0	112.1	L241 G276 P277 S281 I282 M287 F304 P305	L241-I279 HydrophobicContact CB-CG2 4.34Å; L241-I279 HydrophobicContact CD1-CG2 4.23Å; L241-I279 HydrophobicContact CG-CG2 4.49Å; G276-I279 VanDerWaalsContact O-CG1 3.27Å; G276-I279 WeakPolarHBondContact O-CG1 3.47Å; G276-I279 WeakPolarHBondContact O-CG2 3.49Å; G276-I279 PolarHBondContact O-N 3.13Å; P277-I279 PolarHBondContact O-N 2.81Å; P277-I279 VanDerWaalsContact O-N 3.12Å; I279-S281 PolarHBondContact O-N 3.12Å; I279-I282 PolarHBondContact O-N 3.43Å; I279-M287 WeakPolarHBondContact O-CE 3.47Å; I279-F304 HydrophobicContact CB-CD1 4.11Å; I279-F304 HydrophobicContact CB-CE1 4.17Å; I279-F304 HydrophobicContact CG2-CD1 4.01Å; I279-F304 HydrophobicContact CG2-CE1 3.9Å; I279-P305 HydrophobicContact CD1-CG 3.61Å
280	H	95.9	Very high	98.2	Very high	107 Å²	107	17 Å²	17	50%	0.495	10%	0.095	S	C	.	.	G	3₁₀ helix	trans	-72.1	-18.5	-179.3	-67.3	-74.5	0	0	0	112.9	P277 G278 R309	P277-H280 PolarHBondContact O-CD2 3.45Å; P277-H280 PolarHBondContact O-N 3.09Å; G278-H280 PolarHBondContact O-N 2.79Å; G278-H280 VanDerWaalsContact O-N 3.16Å; H280-R309 PolarHBondContact O-NH1 3.42Å
281	S	94.9	Very high	98.2	Very high	32 Å²	32	15.3 Å²	15.3	22%	0.224	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	-77.3	-21.3	175.3	75.1	0	0	0	0	113	G278 I279 R309 L349	G278-S281 WeakPolarHBondContact O-CB 3.41Å; G278-S281 PolarHBondContact O-N 3.29Å; G278-S281 PolarHBondContact O-OG 3.13Å; I279-S281 PolarHBondContact O-N 3.12Å; S281-R309 PolarHBondContact O-NH1 3.2Å; S281-L349 WeakPolarHBondContact OG-CD1 3.42Å
282	I	98.3	Very high	98.2	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.005	9%	0.088	C	C	.	.	S	Bend	trans	-93.8	133.8	-173.3	-51.4	179.5	0	0	0	109.9	L241 L245 P251 I279 M287 I290 F304 R309 L349	L241-I282 HydrophobicContact CD1-CD1 3.58Å; L245-I282 HydrophobicContact CD1-CG1 4.07Å; P251-I282 HydrophobicContact CB-CG2 4.1Å; P251-I282 HydrophobicContact CG-CG2 4.05Å; I279-I282 PolarHBondContact O-N 3.43Å; I282-M287 HydrophobicContact CB-CE 4.22Å; I282-M287 HydrophobicContact CB-CG 4.25Å; I282-M287 HydrophobicContact CG2-CG 3.84Å; I282-M287 WeakPolarHBondContact O-CE 3.25Å; I282-I290 HydrophobicContact CD1-CD1 3.75Å; I282-I290 HydrophobicContact CG2-CD1 4.19Å; I282-F304 HydrophobicContact CD1-CE1 4.48Å; I282-R309 WeakPolarHBondContact O-CG 3.48Å; I282-L349 HydrophobicContact CD1-CD1 4.26Å; I282-L349 HydrophobicContact CG1-CD1 4.44Å
283	S	98.4	Very high	98.2	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.007	9%	0.088	C	C	.	.			trans	-68.6	164.7	174.1	65.7	0	0	0	0	112.3	T285 G286 M287 E398	S283-T285 VanDerWaalsContact C-N 3.32Å; S283-T285 PolarHBondContact O-N 3.47Å; S283-T285 PolarHBondContact OG-OG1 3.39Å; S283-G286 PolarHBondContact O-N 3.06Å; S283-G286 PolarHBondContact OG-N 3Å; S283-M287 VanDerWaalsContact O-CG 3.28Å; S283-M287 WeakPolarHBondContact O-CG 3.33Å; S283-M287 PolarHBondContact O-N 3.27Å; S283-E398 WeakPolarHBondContact CB-OE2 3.07Å; S283-E398 PolarHBondContact OG-OE2 3.08Å
284	C	98.8	Very high	98.1	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-59.4	-42.1	174.6	176	0	0	0	0	112.5	G207 L208 M287 G288 Y313	G207-C284 PolarHBondContact O-SG 2.95Å; L208-C284 WeakPolarHBondContact CD1-SG 3.37Å; C284-M287 WeakPolarHBondContact O-CB 3.19Å; C284-M287 PolarHBondContact O-N 3.5Å; C284-G288 PolarHBondContact O-N 3.37Å; C284-Y313 HydrophobicContact CB-CD2 4.22Å; C284-Y313 HydrophobicContact CB-CG 3.88Å
285	T	98.7	Very high	98	Very high	9 Å²	9	16 Å²	16	6%	0.055	9%	0.094	C	C	.	.	H	α-helix	trans	-68.6	-35	177.1	39.4	0	0	0	0	112.2	L185 S283 G288 T289 Y313 E398	L185-T285 HydrophobicContact CD2-CG2 4.13Å; S283-T285 VanDerWaalsContact C-N 3.32Å; S283-T285 PolarHBondContact O-N 3.47Å; S283-T285 PolarHBondContact OG-OG1 3.39Å; T285-G288 CarbonylContact O-C 3.59Å; T285-G288 WeakPolarHBondContact O-CA 3.19Å; T285-G288 PolarHBondContact O-N 2.91Å; T285-T289 PolarHBondContact O-N 2.98Å; T285-T289 PolarHBondContact O-OG1 2.89Å; T285-T289 VanDerWaalsContact O-OG1 3.1Å; T285-Y313 HydrophobicContact CG2-CD2 4.14Å; T285-Y313 HydrophobicContact CG2-CE2 3.55Å; T285-E398 PolarHBondContact OG1-OE2 2.7Å
286	G	98.6	Very high	97.9	Very high	1 Å²	1	13.7 Å²	13.7	1%	0.01	8%	0.084	C	C	.	.	H	α-helix	trans	-64.4	-41.7	170.5	0	0	0	0	0	113	P251 S283 G288 T289 I290	P251-G286 VanDerWaalsContact CB-CA 3.46Å; P251-G286 WeakPolarHBondContact CB-O 3.29Å; S283-G286 PolarHBondContact O-N 3.06Å; S283-G286 PolarHBondContact OG-N 3Å; G286-G288 VanDerWaalsContact C-N 3.27Å; G286-G288 PolarHBondContact O-N 3.31Å; G286-T289 VanDerWaalsContact O-CB 3.25Å; G286-T289 WeakPolarHBondContact O-CB 3.48Å; G286-T289 PolarHBondContact O-N 2.65Å; G286-I290 WeakPolarHBondContact O-CG1 3.44Å; G286-I290 PolarHBondContact O-N 2.85Å
287	M	98.9	Very high	97.9	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-60.8	-40.3	171	-66.8	169.8	-172.9	0	0	110.5	I279 I282 S283 C284 T289 I290 C291 F304 N307 R309 M310	I279-M287 WeakPolarHBondContact O-CE 3.47Å; I282-M287 HydrophobicContact CB-CE 4.22Å; I282-M287 HydrophobicContact CB-CG 4.25Å; I282-M287 HydrophobicContact CG2-CG 3.84Å; I282-M287 WeakPolarHBondContact O-CE 3.25Å; S283-M287 VanDerWaalsContact O-CG 3.28Å; S283-M287 WeakPolarHBondContact O-CG 3.33Å; S283-M287 PolarHBondContact O-N 3.27Å; C284-M287 WeakPolarHBondContact O-CB 3.19Å; C284-M287 PolarHBondContact O-N 3.5Å; M287-T289 VanDerWaalsContact C-N 3.34Å; M287-T289 PolarHBondContact O-N 2.88Å; M287-I290 PolarHBondContact O-N 2.92Å; M287-C291 PolarHBondContact O-N 3.47Å; M287-C291 PolarHBondContact O-SG 2.8Å; M287-C291 VanDerWaalsContact O-SG 3.33Å; M287-F304 HydrophobicContact CB-CB 4.49Å; M287-F304 HydrophobicContact CB-CD1 4.4Å; M287-F304 HydrophobicContact CB-CD2 3.59Å; M287-F304 HydrophobicContact CB-CE2 3.79Å; M287-F304 HydrophobicContact CB-CG 3.93Å; M287-F304 HydrophobicContact CB-CZ 4.29Å; M287-F304 HydrophobicContact CE-CD1 4.13Å; M287-F304 HydrophobicContact CG-CB 4.35Å; M287-F304 HydrophobicContact CG-CD1 3.71Å; M287-F304 HydrophobicContact CG-CD2 3.82Å; M287-F304 HydrophobicContact CG-CE1 3.84Å; M287-F304 HydrophobicContact CG-CE2 3.96Å; M287-F304 HydrophobicContact CG-CG 3.7Å; M287-F304 HydrophobicContact CG-CZ 3.97Å; M287-F304 HydrophobicContact SD-CB 3.93Å; M287-F304 HydrophobicContact SD-CD1 3.88Å; M287-F304 HydrophobicContact SD-CD2 4.5Å; M287-F304 HydrophobicContact SD-CG 3.86Å; M287-N307 WeakPolarHBondContact CE-ND2 3.46Å; M287-R309 HydrophobicContact CE-CB 4.46Å; M287-R309 HydrophobicContact CE-CG 4.43Å; M287-M310 HydrophobicContact SD-CE 3.72Å
288	G	98.7	Very high	97.8	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-62.2	-38	174.5	0	0	0	0	0	113.2	N204 C284 T285 G286 N292	N204-G288 VanDerWaalsContact ND2-C 3.3Å; N204-G288 PolarHBondContact ND2-O 3.49Å; N204-G288 WeakPolarHBondContact O-CA 3.45Å; C284-G288 PolarHBondContact O-N 3.37Å; T285-G288 CarbonylContact O-C 3.59Å; T285-G288 WeakPolarHBondContact O-CA 3.19Å; T285-G288 PolarHBondContact O-N 2.91Å; G286-G288 VanDerWaalsContact C-N 3.27Å; G286-G288 PolarHBondContact O-N 3.31Å; G288-N292 WeakPolarHBondContact O-CB 3.48Å; G288-N292 PolarHBondContact O-N 3.19Å
289	T	98.8	Very high	97.8	Very high	1 Å²	1	10.5 Å²	10.5	1%	0.006	6%	0.064	C	C	.	.	H	α-helix	trans	-58.9	-49.1	172.7	-59.8	0	0	0	0	110.7	K252 T285 G286 M287 N292 M293 T393 N394	K252-T289 HydrophobicContact CB-CG2 4.05Å; K252-T289 HydrophobicContact CD-CG2 4.18Å; T285-T289 PolarHBondContact O-N 2.98Å; T285-T289 PolarHBondContact O-OG1 2.89Å; T285-T289 VanDerWaalsContact O-OG1 3.1Å; G286-T289 VanDerWaalsContact O-CB 3.25Å; G286-T289 WeakPolarHBondContact O-CB 3.48Å; G286-T289 PolarHBondContact O-N 2.65Å; M287-T289 VanDerWaalsContact C-N 3.34Å; M287-T289 PolarHBondContact O-N 2.88Å; T289-N292 WeakPolarHBondContact O-CB 3.42Å; T289-N292 PolarHBondContact O-N 3.1Å; T289-M293 PolarHBondContact O-N 3.37Å; T289-T393 HydrophobicContact CG2-CG2 4.06Å; T289-T393 PolarHBondContact OG1-O 2.72Å; T289-N394 VanDerWaalsContact CG2-ND2 3.35Å; T289-N394 WeakPolarHBondContact CG2-ND2 3.41Å; T289-N394 PolarHBondContact OG1-ND2 2.86Å
290	I	98.9	Very high	97.8	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-63.6	-47.8	-178.9	-68	168.5	0	0	0	110.4	P251 V254 I255 Y274 I282 G286 M287 N292 G294 F304	P251-I290 HydrophobicContact CB-CD1 4.13Å; P251-I290 HydrophobicContact CB-CG1 4.23Å; P251-I290 WeakPolarHBondContact O-CG1 3.19Å; V254-I290 HydrophobicContact CB-CD1 3.84Å; V254-I290 HydrophobicContact CB-CG1 4.13Å; V254-I290 HydrophobicContact CG1-CD1 4.09Å; V254-I290 HydrophobicContact CG2-CD1 4.09Å; I255-I290 HydrophobicContact CB-CB 4.49Å; I255-I290 HydrophobicContact CB-CG2 4.29Å; I255-I290 WeakPolarHBondContact CG1-O 3.34Å; Y274-I290 HydrophobicContact CD1-CG2 4.31Å; Y274-I290 HydrophobicContact CD2-CG2 4.39Å; Y274-I290 HydrophobicContact CE1-CG2 3.56Å; Y274-I290 HydrophobicContact CE2-CG2 3.62Å; Y274-I290 WeakPolarHBondContact OH-CG2 3.35Å; I282-I290 HydrophobicContact CD1-CD1 3.75Å; I282-I290 HydrophobicContact CG2-CD1 4.19Å; G286-I290 WeakPolarHBondContact O-CG1 3.44Å; G286-I290 PolarHBondContact O-N 2.85Å; M287-I290 PolarHBondContact O-N 2.92Å; I290-N292 PolarHBondContact O-N 3.35Å; I290-G294 PolarHBondContact O-N 3.47Å; I290-F304 HydrophobicContact CB-CE2 4.09Å; I290-F304 HydrophobicContact CB-CZ 4.39Å; I290-F304 HydrophobicContact CD1-CE2 4.44Å; I290-F304 HydrophobicContact CD1-CZ 3.94Å; I290-F304 HydrophobicContact CG2-CE2 3.93Å; I290-F304 HydrophobicContact CG2-CZ 4.14Å
291	C	98.9	Very high	97.9	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-67.2	-37.2	179.8	-62.1	0	0	0	0	112.6	P203 G206 M287 M293 G294 F304	P203-C291 VanDerWaalsContact CB-O 3.3Å; P203-C291 WeakPolarHBondContact CB-O 3.23Å; P203-C291 WeakPolarHBondContact O-CB 3.27Å; G206-C291 VanDerWaalsContact C-SG 3.57Å; M287-C291 PolarHBondContact O-N 3.47Å; M287-C291 PolarHBondContact O-SG 2.8Å; M287-C291 VanDerWaalsContact O-SG 3.33Å; C291-M293 VanDerWaalsContact C-N 3.34Å; C291-M293 PolarHBondContact O-N 3.42Å; C291-G294 PolarHBondContact O-N 3.38Å; C291-F304 VanDerWaalsContact SG-CD2 3.56Å
292	N	98.7	Very high	98.1	Very high	0 Å²	0	3.7 Å²	3.7	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-52.1	-52.2	177	-179	-64.4	0	0	0	111	H201 N204 G288 T289 I290 G294 A295 C392 T393 N480	H201-N292 PolarHBondContact CD2-O 2.9Å; H201-N292 PolarHBondContact CD2-OD1 3.22Å; N204-N292 HydrophobicContact CB-CB 3.92Å; G288-N292 WeakPolarHBondContact O-CB 3.48Å; G288-N292 PolarHBondContact O-N 3.19Å; T289-N292 WeakPolarHBondContact O-CB 3.42Å; T289-N292 PolarHBondContact O-N 3.1Å; I290-N292 PolarHBondContact O-N 3.35Å; N292-G294 PolarHBondContact O-N 3.14Å; N292-A295 WeakPolarHBondContact O-CB 3.33Å; N292-A295 PolarHBondContact O-N 3.16Å; N292-C392 PolarHBondContact ND2-SG 2.88Å; N292-T393 HydrophobicContact CB-CG2 4.48Å; N292-T393 PolarHBondContact OD1-OG1 3.41Å; N292-T393 VanDerWaalsContact OD1-OG1 3.09Å; N292-N480 PolarHBondContact OD1-ND2 2.99Å
293	M	98.1	Very high	98.2	Very high	1 Å²	1	3.6 Å²	3.6	1%	0.005	3%	0.029	C	C	.	.	G	3₁₀ helix	trans	-79.8	1.4	-178.9	-80.8	-172.2	77.5	0	0	114.8	K252 I255 L256 T289 C291 A295 E296 T393 N480	K252-M293 HydrophobicContact CD-SD 3.69Å; K252-M293 WeakPolarHBondContact CE-SD 3.44Å; I255-M293 HydrophobicContact CB-CB 4.17Å; I255-M293 HydrophobicContact CD1-CB 4.41Å; I255-M293 HydrophobicContact CG1-CB 3.3Å; I255-M293 HydrophobicContact CG2-CB 3.8Å; I255-M293 HydrophobicContact CG2-CG 4.45Å; I255-M293 HydrophobicContact CG2-SD 4.05Å; L256-M293 HydrophobicContact CD2-CE 3.67Å; L256-M293 HydrophobicContact CD2-SD 4.32Å; T289-M293 PolarHBondContact O-N 3.37Å; C291-M293 VanDerWaalsContact C-N 3.34Å; C291-M293 PolarHBondContact O-N 3.42Å; M293-A295 PolarHBondContact O-N 2.99Å; M293-E296 WeakPolarHBondContact CA-OE2 3.44Å; M293-E296 HydrophobicContact CE-CG 4.46Å; M293-E296 WeakPolarHBondContact O-CB 3.32Å; M293-E296 PolarHBondContact O-N 3.03Å; M293-T393 HydrophobicContact CG-CG2 3.92Å; M293-T393 HydrophobicContact SD-CG2 4.09Å; M293-N480 HydrophobicContact CE-CB 4.23Å; M293-N480 WeakPolarHBondContact CE-O 3.3Å; M293-N480 HydrophobicContact CG-CB 3.38Å; M293-N480 HydrophobicContact SD-CB 3.91Å
294	G	97.6	Very high	98.2	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	3%	0.029	C	C	.	.	G	3₁₀ helix	trans	-57.6	-25.7	163.2	0	0	0	0	0	112.3	I290 C291 N292 E296 V297 A299	I290-G294 PolarHBondContact O-N 3.47Å; C291-G294 PolarHBondContact O-N 3.38Å; N292-G294 PolarHBondContact O-N 3.14Å; G294-E296 VanDerWaalsContact C-N 3.27Å; G294-E296 PolarHBondContact O-N 3.29Å; G294-V297 WeakPolarHBondContact O-CG2 3.31Å; G294-V297 PolarHBondContact O-N 3.45Å; G294-A299 VanDerWaalsContact O-CB 3.28Å; G294-A299 WeakPolarHBondContact O-CB 3.4Å; G294-A299 PolarHBondContact O-N 2.93Å
295	A	96.4	Very high	98.2	Very high	18 Å²	18	4.5 Å²	4.5	15%	0.149	4%	0.035	C	C	.	.	G	3₁₀ helix	trans	-61.8	-32.9	173.7	0	0	0	0	0	113	S200 N292 M293 V297 G298	S200-A295 VanDerWaalsContact O-CB 3.3Å; S200-A295 WeakPolarHBondContact O-CB 3.32Å; N292-A295 WeakPolarHBondContact O-CB 3.33Å; N292-A295 PolarHBondContact O-N 3.16Å; M293-A295 PolarHBondContact O-N 2.99Å; A295-V297 VanDerWaalsContact C-N 3.27Å; A295-V297 PolarHBondContact O-N 2.89Å; A295-G298 PolarHBondContact O-N 2.99Å
296	E	95.8	Very high	98.2	Very high	7 Å²	7	5.2 Å²	5.2	3%	0.033	4%	0.036	C	C	.	.	G	3₁₀ helix	trans	-75	-14.3	-177.9	-85.8	56.3	-132.4	0	0	113.7	H201 A264 M293 G294 P362 R481	H201-E296 IonicContact CD2-OE1 2.78Å; H201-E296 IonicContact CD2-OE2 2.73Å; H201-E296 PolarHBondContact CD2-OE2 2.83Å; H201-E296 IonicContact CE1-OE1 3.57Å; H201-E296 PolarHBondContact CE1-OE1 2.86Å; H201-E296 IonicContact NE2-OE1 2.81Å; H201-E296 PolarHBondContact NE2-OE1 3.13Å; H201-E296 IonicContact NE2-OE2 3.7Å; H201-E296 PolarHBondContact NE2-OE2 3.26Å; A264-E296 WeakPolarHBondContact CA-O 3.39Å; M293-E296 WeakPolarHBondContact CA-OE2 3.44Å; M293-E296 HydrophobicContact CE-CG 4.46Å; M293-E296 WeakPolarHBondContact O-CB 3.32Å; M293-E296 PolarHBondContact O-N 3.03Å; G294-E296 VanDerWaalsContact C-N 3.27Å; G294-E296 PolarHBondContact O-N 3.29Å; E296-P362 HydrophobicContact CB-CB 3.95Å; E296-P362 HydrophobicContact CB-CG 3.74Å; E296-P362 HydrophobicContact CG-CB 3.76Å; E296-P362 HydrophobicContact CG-CG 3.69Å; E296-R481 IonicContact OE1-CZ 2.6Å; E296-R481 IonicContact OE1-NE 3.72Å; E296-R481 PolarHBondContact OE1-NE 3.12Å; E296-R481 IonicContact OE1-NH2 3.59Å; E296-R481 PolarHBondContact OE1-NH2 3.01Å
297	V	97	Very high	98.2	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	4%	0.039	C	C	.	.	G	3₁₀ helix	trans	-100.8	6.4	171.2	-58.5	0	0	0	0	112.9	A259 L262 A264 K265 G267 I272 G294 A295 A299	A259-V297 HydrophobicContact CB-CG1 3.99Å; L262-V297 HydrophobicContact CB-CB 4.15Å; L262-V297 HydrophobicContact CB-CG1 4.06Å; L262-V297 HydrophobicContact CD1-CB 4.3Å; L262-V297 HydrophobicContact CD1-CG1 4.41Å; L262-V297 HydrophobicContact CD1-CG2 4.08Å; A264-V297 CarbonylContact O-C 3.53Å; K265-V297 CarbonylContact C-O 3.53Å; G267-V297 WeakPolarHBondContact CA-O 3.5Å; G267-V297 PolarHBondContact N-O 2.82Å; I272-V297 HydrophobicContact CD1-CG2 3.68Å; G294-V297 WeakPolarHBondContact O-CG2 3.31Å; G294-V297 PolarHBondContact O-N 3.45Å; A295-V297 VanDerWaalsContact C-N 3.27Å; A295-V297 PolarHBondContact O-N 2.89Å; V297-A299 HydrophobicContact CG2-CB 4.31Å
298	G	95.9	Very high	98.1	Very high	21 Å²	21	10.1 Å²	10.1	22%	0.216	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.8	11.1	179.1	0	0	0	0	0	114.9	G267 T268 A295	G267-G298 CarbonylContact C-O 3.45Å; T268-G298 WeakPolarHBondContact CA-O 3.32Å; A295-G298 PolarHBondContact O-N 2.99Å
299	A	98.2	Very high	98.1	Very high	11 Å²	11	11.8 Å²	11.8	9%	0.091	7%	0.069	C	C	.	.	B	Isolated β-bridge	trans	-60.8	146.3	178.5	0	0	0	0	0	112	G267 I272 G294 V297 T301	G267-A299 VanDerWaalsContact O-CA 3.32Å; G267-A299 WeakPolarHBondContact O-CA 3.29Å; I272-A299 HydrophobicContact CD1-CB 3.78Å; I272-A299 HydrophobicContact CG1-CB 3.9Å; G294-A299 VanDerWaalsContact O-CB 3.28Å; G294-A299 WeakPolarHBondContact O-CB 3.4Å; G294-A299 PolarHBondContact O-N 2.93Å; V297-A299 HydrophobicContact CG2-CB 4.31Å; A299-T301 VanDerWaalsContact C-N 3.32Å
300	T	98.5	Very high	98.1	Very high	6 Å²	6	11.8 Å²	11.8	4%	0.037	7%	0.069	C	C	.	.	S	Bend	trans	-63.3	-44.1	173.5	-57.1	0	0	0	0	110.4	I213 L231 P234 Y270	I213-T300 HydrophobicContact CD1-CG2 4.09Å; I213-T300 HydrophobicContact CG1-CG2 4.3Å; I213-T300 HydrophobicContact CG2-CG2 4.08Å; L231-T300 HydrophobicContact CD1-CG2 3.96Å; L231-T300 HydrophobicContact CD2-CG2 4.25Å; P234-T300 HydrophobicContact CG-CG2 4.16Å; Y270-T300 WeakPolarHBondContact O-CB 3.43Å; Y270-T300 PolarHBondContact O-N 2.81Å; Y270-T300 PolarHBondContact O-OG1 3.35Å
301	T	98.9	Very high	98.1	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.3	176.1	166	-177.5	0	0	0	0	107.9	L211 C212 I213 I271 I272 A299	L211-T301 HydrophobicContact CB-CG2 4.46Å; L211-T301 HydrophobicContact CD2-CG2 3.92Å; C212-T301 PolarHBondContact O-OG1 2.75Å; I213-T301 HydrophobicContact CD1-CG2 4.23Å; I213-T301 HydrophobicContact CG1-CG2 3.69Å; I271-T301 WeakPolarHBondContact CA-O 3.35Å; I271-T301 HydrophobicContact CD1-CG2 4.07Å; I271-T301 HydrophobicContact CG1-CG2 3.85Å; I271-T301 HydrophobicContact CG2-CG2 4.1Å; I272-T301 PolarHBondContact N-O 2.74Å; A299-T301 VanDerWaalsContact C-N 3.32Å
302	S	98.9	Very high	98.1	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	159.4	166.3	-40.1	0	0	0	0	111	G206 I272	G206-S302 WeakPolarHBondContact CA-O 3.33Å; I272-S302 CarbonylContact O-C 3.54Å; I272-S302 WeakPolarHBondContact O-CA 3.24Å; I272-S302 WeakPolarHBondContact O-CB 3.33Å
303	V	98.9	Very high	98.1	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	143.2	-176.4	67.7	0	0	0	0	112.8	L72 A73 L211 I271 I272 E273 Y274	L72-V303 HydrophobicContact CD2-CG1 4.2Å; L72-V303 HydrophobicContact CD2-CG2 3.83Å; L72-V303 HydrophobicContact CG-CG2 4.48Å; A73-V303 HydrophobicContact CB-CG1 4.39Å; L211-V303 HydrophobicContact CD2-CB 3.9Å; L211-V303 HydrophobicContact CD2-CG1 3.97Å; L211-V303 HydrophobicContact CD2-CG2 4.19Å; I271-V303 HydrophobicContact CG2-CG1 4.29Å; I272-V303 PolarHBondContact O-N 3.03Å; E273-V303 HydrophobicContact CB-CG1 4.35Å; E273-V303 HydrophobicContact CG-CG1 4.26Å; Y274-V303 WeakPolarHBondContact CD2-O 3.35Å; Y274-V303 PolarHBondContact N-O 3.35Å
304	F	98.9	Very high	98.1	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.098	C	C	.	.			trans	-106.9	149.9	166.3	-80.6	-100.3	0	0	0	110.8	G206 G209 L241 Y274 I279 I282 M287 I290 C291 M310	G206-F304 PolarHBondContact O-N 3.31Å; G206-F304 VanDerWaalsContact O-N 3.13Å; G209-F304 VanDerWaalsContact CA-O 3.29Å; G209-F304 WeakPolarHBondContact CA-O 3.46Å; L241-F304 HydrophobicContact CD1-CE1 3.96Å; L241-F304 HydrophobicContact CD1-CZ 4.12Å; Y274-F304 HydrophobicContact CD1-CE1 4.42Å; Y274-F304 HydrophobicContact CD1-CE2 4.23Å; Y274-F304 AromaticContact CD1-CZ 3.85Å; Y274-F304 HydrophobicContact CD1-CZ 3.85Å; Y274-F304 AromaticContact CD2-CD2 3.55Å; Y274-F304 HydrophobicContact CD2-CD2 3.55Å; Y274-F304 HydrophobicContact CD2-CE1 4.33Å; Y274-F304 AromaticContact CD2-CE2 3.2Å; Y274-F304 HydrophobicContact CD2-CE2 3.2Å; Y274-F304 HydrophobicContact CD2-CG 4.25Å; Y274-F304 AromaticContact CD2-CZ 3.65Å; Y274-F304 HydrophobicContact CD2-CZ 3.65Å; Y274-F304 HydrophobicContact CE2-CD2 4.32Å; Y274-F304 AromaticContact CE2-CE2 3.74Å; Y274-F304 HydrophobicContact CE2-CE2 3.74Å; Y274-F304 HydrophobicContact CE2-CZ 4.32Å; Y274-F304 HydrophobicContact CG-CD1 4.3Å; Y274-F304 HydrophobicContact CG-CD2 4.02Å; Y274-F304 AromaticContact CG-CE1 3.82Å; Y274-F304 HydrophobicContact CG-CE1 3.82Å; Y274-F304 AromaticContact CG-CE2 3.5Å; Y274-F304 HydrophobicContact CG-CE2 3.5Å; Y274-F304 HydrophobicContact CG-CG 4.39Å; Y274-F304 AromaticContact CG-CZ 3.38Å; Y274-F304 HydrophobicContact CG-CZ 3.38Å; I279-F304 HydrophobicContact CB-CD1 4.11Å; I279-F304 HydrophobicContact CB-CE1 4.17Å; I279-F304 HydrophobicContact CG2-CD1 4.01Å; I279-F304 HydrophobicContact CG2-CE1 3.9Å; I282-F304 HydrophobicContact CD1-CE1 4.48Å; M287-F304 HydrophobicContact CB-CB 4.49Å; M287-F304 HydrophobicContact CB-CD1 4.4Å; M287-F304 HydrophobicContact CB-CD2 3.59Å; M287-F304 HydrophobicContact CB-CE2 3.79Å; M287-F304 HydrophobicContact CB-CG 3.93Å; M287-F304 HydrophobicContact CB-CZ 4.29Å; M287-F304 HydrophobicContact CE-CD1 4.13Å; M287-F304 HydrophobicContact CG-CB 4.35Å; M287-F304 HydrophobicContact CG-CD1 3.71Å; M287-F304 HydrophobicContact CG-CD2 3.82Å; M287-F304 HydrophobicContact CG-CE1 3.84Å; M287-F304 HydrophobicContact CG-CE2 3.96Å; M287-F304 HydrophobicContact CG-CG 3.7Å; M287-F304 HydrophobicContact CG-CZ 3.97Å; M287-F304 HydrophobicContact SD-CB 3.93Å; M287-F304 HydrophobicContact SD-CD1 3.88Å; M287-F304 HydrophobicContact SD-CD2 4.5Å; M287-F304 HydrophobicContact SD-CG 3.86Å; I290-F304 HydrophobicContact CB-CE2 4.09Å; I290-F304 HydrophobicContact CB-CZ 4.39Å; I290-F304 HydrophobicContact CD1-CE2 4.44Å; I290-F304 HydrophobicContact CD1-CZ 3.94Å; I290-F304 HydrophobicContact CG2-CE2 3.93Å; I290-F304 HydrophobicContact CG2-CZ 4.14Å; C291-F304 VanDerWaalsContact SG-CD2 3.56Å; F304-M310 HydrophobicContact CB-CE 3.46Å; F304-M310 VanDerWaalsContact CB-CE 3.46Å
305	P	98.7	Very high	98.1	Very high	19 Å²	19	22.6 Å²	22.6	12%	0.123	11%	0.114	C	C	.	.			trans	-71.9	150.3	173.4	31.2	-36.9	0	0	0	111.9	L72 Y274 I279 N307 M310	L72-P305 VanDerWaalsContact CD2-CA 3.46Å; L72-P305 HydrophobicContact CD2-CB 4Å; Y274-P305 WeakPolarHBondContact O-CD 3.27Å; I279-P305 HydrophobicContact CD1-CG 3.61Å; P305-N307 PolarHBondContact O-N 3.49Å; P305-N307 PolarHBondContact O-ND2 3.09Å; P305-M310 WeakPolarHBondContact O-CE 3.19Å
306	Y	98.7	Very high	98.2	Very high	24 Å²	24	23.5 Å²	23.5	9%	0.094	12%	0.121	C	C	.	.			trans	-58.4	129	176.8	176.8	-119.7	0	0	0	111.3	P191 M310 K311 A323 C326 D327 K330 L333	P191-Y306 HydrophobicContact CB-CD2 4.01Å; P191-Y306 HydrophobicContact CB-CG 4.19Å; P191-Y306 HydrophobicContact CG-CD2 3.4Å; P191-Y306 HydrophobicContact CG-CE2 3.98Å; P191-Y306 HydrophobicContact CG-CG 4.08Å; Y306-M310 HydrophobicContact CD2-CB 3.98Å; Y306-M310 HydrophobicContact CD2-SD 4.27Å; Y306-M310 HydrophobicContact CE2-CB 4.21Å; Y306-K311 HydrophobicContact CE2-CB 4.3Å; Y306-A323 PolarHBondContact OH-O 2.8Å; Y306-C326 HydrophobicContact CD1-CB 4.16Å; Y306-C326 HydrophobicContact CD2-CB 4.42Å; Y306-C326 HydrophobicContact CE1-CB 3.7Å; Y306-C326 HydrophobicContact CE2-CB 3.99Å; Y306-C326 HydrophobicContact CG-CB 4.49Å; Y306-D327 WeakPolarHBondContact CE1-OD1 2.78Å; Y306-D327 PolarHBondContact OH-OD1 2.76Å; Y306-K330 HydrophobicContact CD1-CG 4.18Å; Y306-K330 HydrophobicContact CE1-CG 4.28Å; Y306-L333 HydrophobicContact CD1-CD1 4.11Å; Y306-L333 HydrophobicContact CG-CB 4.46Å; Y306-L333 HydrophobicContact CG-CD1 4.23Å; Y306-L333 PolarHBondContact N-O 3.47Å
307	N	98.2	Very high	98.3	Very high	12 Å²	12	24.1 Å²	24.1	6%	0.064	13%	0.125	C	C	.	.			trans	-148.4	177.3	-177.6	64.2	41.9	0	0	0	111.7	M287 P305 R309 M310 K311	M287-N307 WeakPolarHBondContact CE-ND2 3.46Å; P305-N307 PolarHBondContact O-N 3.49Å; P305-N307 PolarHBondContact O-ND2 3.09Å; N307-R309 PolarHBondContact O-N 3.45Å; N307-R309 WeakPolarHBondContact OD1-CA 3.4Å; N307-R309 VanDerWaalsContact OD1-CB 3.29Å; N307-R309 WeakPolarHBondContact OD1-CB 3.4Å; N307-R309 PolarHBondContact OD1-N 2.96Å; N307-M310 WeakPolarHBondContact O-CB 3.35Å; N307-M310 PolarHBondContact O-N 3.47Å; N307-M310 PolarHBondContact OD1-N 3.28Å; N307-K311 PolarHBondContact O-N 3.09Å; N307-K311 VanDerWaalsContact O-N 3.12Å
308	D	97.9	Very high	98.3	Very high	92 Å²	92	27.2 Å²	27.2	49%	0.492	16%	0.158	S	C	.	.	H	α-helix	trans	-61.9	-26.8	-177.6	-70.1	-73.3	0	0	0	114.3	K311 R312	D308-K311 PolarHBondContact O-N 3.48Å; D308-R312 WeakPolarHBondContact O-CG 3.24Å; D308-R312 PolarHBondContact O-N 2.86Å
309	R	98.3	Very high	98.4	Very high	36 Å²	36	27.3 Å²	27.3	14%	0.136	15%	0.151	C	C	.	.	H	α-helix	trans	-67.6	-42.9	177.5	-48.1	-64.6	-66.1	-103.1	8.8	110.4	H280 S281 I282 M287 N307 R312 Y313 E538	H280-R309 PolarHBondContact O-NH1 3.42Å; S281-R309 PolarHBondContact O-NH1 3.2Å; I282-R309 WeakPolarHBondContact O-CG 3.48Å; M287-R309 HydrophobicContact CE-CB 4.46Å; M287-R309 HydrophobicContact CE-CG 4.43Å; N307-R309 PolarHBondContact O-N 3.45Å; N307-R309 WeakPolarHBondContact OD1-CA 3.4Å; N307-R309 VanDerWaalsContact OD1-CB 3.29Å; N307-R309 WeakPolarHBondContact OD1-CB 3.4Å; N307-R309 PolarHBondContact OD1-N 2.96Å; R309-R312 PolarHBondContact O-N 3.38Å; R309-Y313 PolarHBondContact O-N 3.2Å; R309-Y313 VanDerWaalsContact O-N 3.1Å; R309-E538 IonicContact CZ-OE1 3.49Å; R309-E538 IonicContact CZ-OE2 3.64Å; R309-E538 IonicContact NE-OE1 2.68Å; R309-E538 PolarHBondContact NE-OE1 2.94Å; R309-E538 VanDerWaalsContact NE-OE1 3.13Å; R309-E538 IonicContact NE-OE2 3.96Å; R309-E538 PolarHBondContact NE-OE2 2.86Å; R309-E538 IonicContact NH2-OE1 3.37Å; R309-E538 IonicContact NH2-OE2 2.71Å; R309-E538 PolarHBondContact NH2-OE2 3.44Å
310	M	98.7	Very high	98.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-63.7	-41.7	173	-62.5	-173.3	-168.7	0	0	111.8	G207 L208 M287 F304 P305 Y306 N307 Y313 L314	G207-M310 WeakPolarHBondContact O-CE 3.22Å; L208-M310 VanDerWaalsContact C-SD 3.58Å; L208-M310 HydrophobicContact CD1-CB 3.67Å; L208-M310 HydrophobicContact CD1-CG 3.98Å; M287-M310 HydrophobicContact SD-CE 3.72Å; F304-M310 HydrophobicContact CB-CE 3.46Å; F304-M310 VanDerWaalsContact CB-CE 3.46Å; P305-M310 WeakPolarHBondContact O-CE 3.19Å; Y306-M310 HydrophobicContact CD2-CB 3.98Å; Y306-M310 HydrophobicContact CD2-SD 4.27Å; Y306-M310 HydrophobicContact CE2-CB 4.21Å; N307-M310 WeakPolarHBondContact O-CB 3.35Å; N307-M310 PolarHBondContact O-N 3.47Å; N307-M310 PolarHBondContact OD1-N 3.28Å; M310-Y313 PolarHBondContact O-N 3.02Å; M310-L314 WeakPolarHBondContact O-CG 3.48Å; M310-L314 PolarHBondContact O-N 2.94Å
311	K	98.6	Very high	98.3	Very high	46 Å²	46	33.6 Å²	33.6	20%	0.2	19%	0.186	C	C	.	.	H	α-helix	trans	-58.2	-50.8	175.5	174	164.7	-175.8	175.9	0	111.9	Y306 N307 D308 Y313 L314 E315 A323 D327	Y306-K311 HydrophobicContact CE2-CB 4.3Å; N307-K311 PolarHBondContact O-N 3.09Å; N307-K311 VanDerWaalsContact O-N 3.12Å; D308-K311 PolarHBondContact O-N 3.48Å; K311-Y313 VanDerWaalsContact C-N 3.29Å; K311-Y313 PolarHBondContact O-N 3.01Å; K311-L314 PolarHBondContact O-N 2.89Å; K311-E315 WeakPolarHBondContact O-CG 3.22Å; K311-E315 PolarHBondContact O-N 2.83Å; K311-A323 HydrophobicContact CG-CB 4.01Å; K311-D327 IonicContact NZ-OD2 3.8Å; K311-D327 PolarHBondContact NZ-OD2 2.79Å
312	R	98.2	Very high	98.3	Very high	106 Å²	106	33.9 Å²	33.9	40%	0.4	19%	0.188	S	C	.	.	H	α-helix	trans	-58.4	-41.8	177.3	-71.3	-165.1	-57.6	-125	21.5	112.1	D308 R309 E315 A316 E538 L539	D308-R312 WeakPolarHBondContact O-CG 3.24Å; D308-R312 PolarHBondContact O-N 2.86Å; R309-R312 PolarHBondContact O-N 3.38Å; R312-E315 PolarHBondContact O-N 3.49Å; R312-A316 WeakPolarHBondContact O-CB 3.48Å; R312-A316 PolarHBondContact O-N 3.03Å; R312-E538 IonicContact CZ-OE2 3.03Å; R312-E538 IonicContact NE-OE1 3.73Å; R312-E538 IonicContact NE-OE2 2.8Å; R312-E538 IonicContact NH2-OE1 3.32Å; R312-E538 PolarHBondContact NH2-OE1 3.32Å; R312-E538 IonicContact NH2-OE2 3.51Å; R312-E538 PolarHBondContact NH2-OE2 3.47Å; R312-L539 HydrophobicContact CB-CD1 4.19Å
313	Y	98.7	Very high	98.3	Very high	4 Å²	4	33.9 Å²	33.9	2%	0.016	19%	0.188	C	C	.	.	H	α-helix	trans	-65.4	-44.1	177.8	-173.4	-93	0	0	0	112.5	L185 E186 L208 C284 T285 R309 M310 K311 E315 A316 T317 R319 L539	L185-Y313 HydrophobicContact CG-CE1 4.02Å; E186-Y313 WeakPolarHBondContact CG-OH 3.28Å; L208-Y313 HydrophobicContact CD1-CD1 4.13Å; L208-Y313 HydrophobicContact CD2-CD1 4.31Å; C284-Y313 HydrophobicContact CB-CD2 4.22Å; C284-Y313 HydrophobicContact CB-CG 3.88Å; T285-Y313 HydrophobicContact CG2-CD2 4.14Å; T285-Y313 HydrophobicContact CG2-CE2 3.55Å; R309-Y313 PolarHBondContact O-N 3.2Å; R309-Y313 VanDerWaalsContact O-N 3.1Å; M310-Y313 PolarHBondContact O-N 3.02Å; K311-Y313 VanDerWaalsContact C-N 3.29Å; K311-Y313 PolarHBondContact O-N 3.01Å; Y313-E315 VanDerWaalsContact C-N 3.33Å; Y313-E315 PolarHBondContact O-N 2.83Å; Y313-A316 PolarHBondContact O-N 3.34Å; Y313-T317 HydrophobicContact CD1-CG2 4.32Å; Y313-T317 HydrophobicContact CE1-CG2 3.91Å; Y313-T317 HydrophobicContact CE2-CG2 4.34Å; Y313-T317 WeakPolarHBondContact O-CB 3.19Å; Y313-T317 WeakPolarHBondContact O-CG2 3.42Å; Y313-T317 PolarHBondContact O-N 3.43Å; Y313-T317 PolarHBondContact O-OG1 3.42Å; Y313-R319 VanDerWaalsContact CE1-NH2 3.34Å; Y313-L539 HydrophobicContact CD2-CD2 3.82Å; Y313-L539 HydrophobicContact CE2-CD2 4.36Å
314	L	98.8	Very high	98.2	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-57.7	-45.8	173.2	-76.2	167.7	0	0	0	111.1	P191 L208 M310 K311 T317 G318 R319 I322 A323	P191-L314 HydrophobicContact CG-CD1 4.41Å; L208-L314 HydrophobicContact CD1-CG 4.13Å; L208-L314 HydrophobicContact CD2-CD2 3.95Å; L208-L314 HydrophobicContact CD2-CG 4.44Å; M310-L314 WeakPolarHBondContact O-CG 3.48Å; M310-L314 PolarHBondContact O-N 2.94Å; K311-L314 PolarHBondContact O-N 2.89Å; L314-T317 PolarHBondContact O-N 2.73Å; L314-T317 PolarHBondContact O-OG1 3.41Å; L314-T317 VanDerWaalsContact O-OG1 3.12Å; L314-G318 PolarHBondContact O-N 3.25Å; L314-R319 HydrophobicContact CB-CB 4.29Å; L314-R319 HydrophobicContact CD2-CB 3.89Å; L314-R319 CarbonylContact O-C 3.42Å; L314-R319 VanDerWaalsContact O-CA 3.31Å; L314-R319 WeakPolarHBondContact O-CA 3.04Å; L314-R319 WeakPolarHBondContact O-CB 3.13Å; L314-R319 PolarHBondContact O-N 3.4Å; L314-I322 HydrophobicContact CD1-CG2 4.21Å; L314-I322 HydrophobicContact CD2-CB 4.42Å; L314-I322 HydrophobicContact CD2-CG2 4.17Å; L314-A323 HydrophobicContact CB-CB 4.04Å; L314-A323 HydrophobicContact CD1-CB 3.93Å
315	E	98.2	Very high	98.1	Very high	73 Å²	73	38.3 Å²	38.3	34%	0.341	21%	0.211	S	C	.	.	H	α-helix	trans	-63.3	-46.9	178.1	-69.7	-177.2	156.6	0	0	111.9	K311 R312 Y313 T317 G318 K320	K311-E315 WeakPolarHBondContact O-CG 3.22Å; K311-E315 PolarHBondContact O-N 2.83Å; R312-E315 PolarHBondContact O-N 3.49Å; Y313-E315 VanDerWaalsContact C-N 3.33Å; Y313-E315 PolarHBondContact O-N 2.83Å; E315-T317 PolarHBondContact O-N 2.57Å; E315-G318 PolarHBondContact O-N 3.31Å; E315-K320 HydrophobicContact CG-CB 4.02Å; E315-K320 HydrophobicContact CG-CD 4.37Å; E315-K320 HydrophobicContact CG-CG 4.09Å; E315-K320 IonicContact OE1-NZ 3.37Å; E315-K320 PolarHBondContact OE1-NZ 3.24Å
316	A	98.2	Very high	98.1	Very high	37 Å²	37	37.4 Å²	37.4	31%	0.306	21%	0.205	S	C	.	.	H	α-helix	trans	-63.6	-27.5	179.1	0	0	0	0	0	113.5	R312 Y313 G318 L539 F544	R312-A316 WeakPolarHBondContact O-CB 3.48Å; R312-A316 PolarHBondContact O-N 3.03Å; Y313-A316 PolarHBondContact O-N 3.34Å; A316-G318 VanDerWaalsContact C-N 3.32Å; A316-L539 HydrophobicContact CB-CD1 3.83Å; A316-L539 HydrophobicContact CB-CD2 4Å; A316-L539 HydrophobicContact CB-CG 4.39Å; A316-F544 HydrophobicContact CB-CE2 4.21Å
317	T	98	Very high	98	Very high	19 Å²	19	38.4 Å²	38.4	12%	0.117	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	12.7	175.4	52.9	0	0	0	0	113.1	Y313 L314 E315 R319 F544	Y313-T317 HydrophobicContact CD1-CG2 4.32Å; Y313-T317 HydrophobicContact CE1-CG2 3.91Å; Y313-T317 HydrophobicContact CE2-CG2 4.34Å; Y313-T317 WeakPolarHBondContact O-CB 3.19Å; Y313-T317 WeakPolarHBondContact O-CG2 3.42Å; Y313-T317 PolarHBondContact O-N 3.43Å; Y313-T317 PolarHBondContact O-OG1 3.42Å; L314-T317 PolarHBondContact O-N 2.73Å; L314-T317 PolarHBondContact O-OG1 3.41Å; L314-T317 VanDerWaalsContact O-OG1 3.12Å; E315-T317 PolarHBondContact O-N 2.57Å; T317-R319 VanDerWaalsContact OG1-CZ 3.31Å; T317-R319 PolarHBondContact OG1-NE 2.7Å; T317-R319 PolarHBondContact OG1-NH2 3.46Å; T317-F544 HydrophobicContact CG2-CD2 4.27Å; T317-F544 HydrophobicContact CG2-CE2 4.05Å
318	G	97	Very high	98	Very high	66 Å²	66	45.8 Å²	45.8	68%	0.68	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.7	20.9	174.7	0	0	0	0	0	114.7	L314 E315 A316	L314-G318 PolarHBondContact O-N 3.25Å; E315-G318 PolarHBondContact O-N 3.31Å; A316-G318 VanDerWaalsContact C-N 3.32Å
319	R	97.9	Very high	98	Very high	22 Å²	22	43.8 Å²	43.8	8%	0.083	23%	0.23	C	C	.	.			trans	-112.2	33.4	-177.6	-64.8	175.7	-69.6	175.4	-6.7	112.5	L185 E186 A189 Y313 L314 T317 A321 I322 A323	L185-R319 PolarHBondContact O-NH1 2.99Å; L185-R319 PolarHBondContact O-NH2 3.45Å; E186-R319 PolarHBondContact O-NE 2.89Å; E186-R319 PolarHBondContact O-NH2 3.38Å; E186-R319 VanDerWaalsContact O-NH2 3.08Å; A189-R319 PolarHBondContact O-NH1 2.76Å; Y313-R319 VanDerWaalsContact CE1-NH2 3.34Å; L314-R319 HydrophobicContact CB-CB 4.29Å; L314-R319 HydrophobicContact CD2-CB 3.89Å; L314-R319 CarbonylContact O-C 3.42Å; L314-R319 VanDerWaalsContact O-CA 3.31Å; L314-R319 WeakPolarHBondContact O-CA 3.04Å; L314-R319 WeakPolarHBondContact O-CB 3.13Å; L314-R319 PolarHBondContact O-N 3.4Å; T317-R319 VanDerWaalsContact OG1-CZ 3.31Å; T317-R319 PolarHBondContact OG1-NE 2.7Å; T317-R319 PolarHBondContact OG1-NH2 3.46Å; R319-A321 VanDerWaalsContact C-N 3.28Å; R319-A321 PolarHBondContact O-N 3.22Å; R319-I322 HydrophobicContact CB-CB 4.35Å; R319-I322 HydrophobicContact CB-CD1 4.08Å; R319-I322 HydrophobicContact CB-CG1 4.15Å; R319-I322 HydrophobicContact CG-CD1 4.22Å; R319-I322 VanDerWaalsContact O-CB 3.32Å; R319-I322 WeakPolarHBondContact O-CB 3.48Å; R319-I322 PolarHBondContact O-N 3.48Å; R319-A323 PolarHBondContact O-N 2.79Å
320	K	97.7	Very high	97.9	Very high	96 Å²	96	47.1 Å²	47.1	42%	0.417	25%	0.245	S	C	.	.	H	α-helix	trans	-53.1	-41.8	179.4	176.7	161.6	178.5	50.4	0	113.6	E315 I322 A323 D324	E315-K320 HydrophobicContact CG-CB 4.02Å; E315-K320 HydrophobicContact CG-CD 4.37Å; E315-K320 HydrophobicContact CG-CG 4.09Å; E315-K320 IonicContact OE1-NZ 3.37Å; E315-K320 PolarHBondContact OE1-NZ 3.24Å; K320-I322 PolarHBondContact O-N 2.54Å; K320-A323 WeakPolarHBondContact O-CB 3.4Å; K320-A323 PolarHBondContact O-N 2.97Å; K320-D324 WeakPolarHBondContact CG-OD2 3.47Å; K320-D324 IonicContact NZ-OD1 3.97Å; K320-D324 PolarHBondContact NZ-OD1 2.89Å; K320-D324 IonicContact NZ-OD2 2.72Å; K320-D324 PolarHBondContact NZ-OD2 3.21Å; K320-D324 PolarHBondContact O-N 3Å
321	A	97.3	Very high	97.8	Very high	53 Å²	53	50 Å²	50	44%	0.438	27%	0.266	S	S	.	.	H	α-helix	trans	-59.8	-31.8	178.5	0	0	0	0	0	113	V39 R319 L325	V39-A321 HydrophobicContact CG1-CB 4.06Å; R319-A321 VanDerWaalsContact C-N 3.28Å; R319-A321 PolarHBondContact O-N 3.22Å; A321-L325 PolarHBondContact O-N 3.01Å; A321-L325 VanDerWaalsContact O-N 3.15Å
322	I	98.3	Very high	97.7	Very high	7 Å²	7	47.9 Å²	47.9	4%	0.036	26%	0.256	C	S	.	.	H	α-helix	trans	-67.5	-48.1	173.3	-55.9	-166.1	0	0	0	109.7	V39 L50 F190 L314 R319 K320 D324 L325 C326	V39-I322 HydrophobicContact CG1-CG1 4.04Å; L50-I322 HydrophobicContact CD1-CB 4.1Å; L50-I322 HydrophobicContact CD1-CD1 4.34Å; L50-I322 HydrophobicContact CD1-CG1 3.9Å; L50-I322 HydrophobicContact CD1-CG2 3.81Å; F190-I322 HydrophobicContact CB-CG2 3.8Å; L314-I322 HydrophobicContact CD1-CG2 4.21Å; L314-I322 HydrophobicContact CD2-CB 4.42Å; L314-I322 HydrophobicContact CD2-CG2 4.17Å; R319-I322 HydrophobicContact CB-CB 4.35Å; R319-I322 HydrophobicContact CB-CD1 4.08Å; R319-I322 HydrophobicContact CB-CG1 4.15Å; R319-I322 HydrophobicContact CG-CD1 4.22Å; R319-I322 VanDerWaalsContact O-CB 3.32Å; R319-I322 WeakPolarHBondContact O-CB 3.48Å; R319-I322 PolarHBondContact O-N 3.48Å; K320-I322 PolarHBondContact O-N 2.54Å; I322-D324 PolarHBondContact O-N 3.3Å; I322-L325 WeakPolarHBondContact O-CB 3.38Å; I322-L325 PolarHBondContact O-N 3.07Å; I322-L325 VanDerWaalsContact O-N 3.14Å; I322-C326 PolarHBondContact O-N 2.82Å; I322-C326 PolarHBondContact O-SG 2.76Å
323	A	98.2	Very high	97.7	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-60.7	-43.5	178.9	0	0	0	0	0	112.5	Y306 K311 L314 R319 K320 L325 C326 D327	Y306-A323 PolarHBondContact OH-O 2.8Å; K311-A323 HydrophobicContact CG-CB 4.01Å; L314-A323 HydrophobicContact CB-CB 4.04Å; L314-A323 HydrophobicContact CD1-CB 3.93Å; R319-A323 PolarHBondContact O-N 2.79Å; K320-A323 WeakPolarHBondContact O-CB 3.4Å; K320-A323 PolarHBondContact O-N 2.97Å; A323-L325 VanDerWaalsContact C-N 3.26Å; A323-L325 PolarHBondContact O-N 3.13Å; A323-C326 PolarHBondContact O-N 3.49Å; A323-D327 PolarHBondContact O-N 2.8Å
324	D	97.8	Very high	97.7	Very high	62 Å²	62	45 Å²	45	33%	0.332	25%	0.252	S	S	.	.	H	α-helix	trans	-63.5	-32.4	177	-65	-22.5	0	0	0	111.8	K320 I322	K320-D324 WeakPolarHBondContact CG-OD2 3.47Å; K320-D324 IonicContact NZ-OD1 3.97Å; K320-D324 PolarHBondContact NZ-OD1 2.89Å; K320-D324 IonicContact NZ-OD2 2.72Å; K320-D324 PolarHBondContact NZ-OD2 3.21Å; K320-D324 PolarHBondContact O-N 3Å; I322-D324 PolarHBondContact O-N 3.3Å
325	L	97.3	Very high	97.7	Very high	31 Å²	31	46.4 Å²	46.4	16%	0.162	26%	0.264	C	S	.	.	H	α-helix	trans	-72	-45.1	172.4	-169.8	68.7	0	0	0	111.5	V39 L50 A321 I322 A323 D327 K328 Y329	V39-L325 HydrophobicContact CB-CD2 4.22Å; V39-L325 HydrophobicContact CG1-CD2 4.48Å; V39-L325 HydrophobicContact CG2-CB 4.49Å; V39-L325 HydrophobicContact CG2-CD2 4.3Å; L50-L325 HydrophobicContact CB-CD2 3.76Å; L50-L325 HydrophobicContact CD1-CD2 3.61Å; L50-L325 HydrophobicContact CG-CD2 4.35Å; A321-L325 PolarHBondContact O-N 3.01Å; A321-L325 VanDerWaalsContact O-N 3.15Å; I322-L325 WeakPolarHBondContact O-CB 3.38Å; I322-L325 PolarHBondContact O-N 3.07Å; I322-L325 VanDerWaalsContact O-N 3.14Å; A323-L325 VanDerWaalsContact C-N 3.26Å; A323-L325 PolarHBondContact O-N 3.13Å; L325-D327 PolarHBondContact O-N 2.81Å; L325-K328 WeakPolarHBondContact O-CB 3.42Å; L325-K328 PolarHBondContact O-N 2.55Å; L325-Y329 HydrophobicContact CD1-CD2 4.17Å; L325-Y329 HydrophobicContact CD1-CE2 3.73Å; L325-Y329 HydrophobicContact CG-CD2 4.09Å; L325-Y329 HydrophobicContact CG-CE2 4.09Å; L325-Y329 WeakPolarHBondContact O-CD2 3.34Å; L325-Y329 PolarHBondContact O-N 3.4Å
326	C	97.9	Very high	97.7	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-58.6	-36.4	177.8	-68.3	0	0	0	0	112.1	P191 Y306 I322 A323 K328 Y329 K330 L333	P191-C326 HydrophobicContact CG-CB 4.5Å; Y306-C326 HydrophobicContact CD1-CB 4.16Å; Y306-C326 HydrophobicContact CD2-CB 4.42Å; Y306-C326 HydrophobicContact CE1-CB 3.7Å; Y306-C326 HydrophobicContact CE2-CB 3.99Å; Y306-C326 HydrophobicContact CG-CB 4.49Å; I322-C326 PolarHBondContact O-N 2.82Å; I322-C326 PolarHBondContact O-SG 2.76Å; A323-C326 PolarHBondContact O-N 3.49Å; C326-K328 PolarHBondContact O-N 3.06Å; C326-Y329 CarbonylContact O-C 3.48Å; C326-Y329 PolarHBondContact O-N 3.5Å; C326-K330 PolarHBondContact O-N 3.38Å; C326-L333 HydrophobicContact CB-CD1 3.63Å
327	D	97.9	Very high	97.6	Very high	45 Å²	45	47.8 Å²	47.8	24%	0.241	28%	0.283	C	S	.	.	H	α-helix	trans	-59.8	-29.9	175	-79.4	-18.5	0	0	0	113.3	Y306 K311 A323 L325 K330	Y306-D327 WeakPolarHBondContact CE1-OD1 2.78Å; Y306-D327 PolarHBondContact OH-OD1 2.76Å; K311-D327 IonicContact NZ-OD2 3.8Å; K311-D327 PolarHBondContact NZ-OD2 2.79Å; A323-D327 PolarHBondContact O-N 2.8Å; L325-D327 PolarHBondContact O-N 2.81Å; D327-K330 WeakPolarHBondContact O-CG 3.43Å; D327-K330 WeakPolarHBondContact OD1-CE 3.39Å; D327-K330 IonicContact OD1-NZ 2.76Å
328	K	97.2	Very high	97.5	Very high	166 Å²	166	50 Å²	50	72%	0.722	31%	0.309	S	S	*	.	H	α-helix	trans	-77.6	-24	176.1	-61	177.6	-176.8	177.8	0	113	L325 C326	L325-K328 WeakPolarHBondContact O-CB 3.42Å; L325-K328 PolarHBondContact O-N 2.55Å; C326-K328 PolarHBondContact O-N 3.06Å
329	Y	97.2	Very high	97.5	Very high	51 Å²	51	47.5 Å²	47.5	20%	0.2	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.9	25.3	-174.8	-66.5	-69.6	0	0	0	113.2	H52 E53 M56 L325 C326 S331 L332 L333	H52-Y329 HydrophobicContact CB-CD2 3.48Å; H52-Y329 VanDerWaalsContact CB-CD2 3.48Å; H52-Y329 HydrophobicContact CB-CE2 3.79Å; H52-Y329 HydrophobicContact CB-CG 3.87Å; E53-Y329 WeakPolarHBondContact CB-OH 3.27Å; M56-Y329 HydrophobicContact CB-CD1 4.44Å; M56-Y329 HydrophobicContact CB-CE1 4.42Å; M56-Y329 HydrophobicContact CG-CD1 3.55Å; M56-Y329 HydrophobicContact CG-CE1 4Å; M56-Y329 HydrophobicContact CG-CG 4.49Å; L325-Y329 HydrophobicContact CD1-CD2 4.17Å; L325-Y329 HydrophobicContact CD1-CE2 3.73Å; L325-Y329 HydrophobicContact CG-CD2 4.09Å; L325-Y329 HydrophobicContact CG-CE2 4.09Å; L325-Y329 WeakPolarHBondContact O-CD2 3.34Å; L325-Y329 PolarHBondContact O-N 3.4Å; C326-Y329 CarbonylContact O-C 3.48Å; C326-Y329 PolarHBondContact O-N 3.5Å; Y329-S331 PolarHBondContact O-N 3.2Å; Y329-L332 VanDerWaalsContact O-CB 3.29Å; Y329-L332 WeakPolarHBondContact O-CB 3.47Å; Y329-L332 PolarHBondContact O-N 3.49Å; Y329-L333 WeakPolarHBondContact O-CG 3.38Å
330	K	96.5	Very high	97.5	Very high	106 Å²	106	53.5 Å²	53.5	46%	0.461	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.3	-34.7	-178.3	-74.9	-176.6	179.2	-172.2	0	114.1	Y306 C326 D327 L332 L333 S334	Y306-K330 HydrophobicContact CD1-CG 4.18Å; Y306-K330 HydrophobicContact CE1-CG 4.28Å; C326-K330 PolarHBondContact O-N 3.38Å; D327-K330 WeakPolarHBondContact O-CG 3.43Å; D327-K330 WeakPolarHBondContact OD1-CE 3.39Å; D327-K330 IonicContact OD1-NZ 2.76Å; K330-L332 VanDerWaalsContact C-N 3.26Å; K330-L332 PolarHBondContact O-N 3.33Å; K330-L333 CarbonylContact O-C 3.57Å; K330-L333 PolarHBondContact O-N 3.13Å; K330-S334 PolarHBondContact O-N 2.99Å; K330-S334 PolarHBondContact O-OG 2.96Å
331	S	96.1	Very high	97.5	Very high	61 Å²	61	51.3 Å²	51.3	43%	0.427	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-22	179.2	61.9	0	0	0	0	114.6	K75 Y329	K75-S331 PolarHBondContact NZ-O 2.71Å; Y329-S331 PolarHBondContact O-N 3.2Å
332	L	97.7	Very high	97.6	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.005	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-33	167.9	-175.9	56	0	0	0	111.5	L55 M56 L59 Y329 K330	L55-L332 HydrophobicContact CB-CD2 3.75Å; L55-L332 HydrophobicContact CD1-CD2 4.28Å; M56-L332 HydrophobicContact CG-CB 4.17Å; M56-L332 HydrophobicContact CG-CD2 4.14Å; M56-L332 HydrophobicContact SD-CB 3.53Å; M56-L332 VanDerWaalsContact SD-CB 3.53Å; M56-L332 HydrophobicContact SD-CD1 4.08Å; M56-L332 HydrophobicContact SD-CD2 4.41Å; M56-L332 HydrophobicContact SD-CG 4.2Å; L59-L332 HydrophobicContact CD2-CD1 3.6Å; Y329-L332 VanDerWaalsContact O-CB 3.29Å; Y329-L332 WeakPolarHBondContact O-CB 3.47Å; Y329-L332 PolarHBondContact O-N 3.49Å; K330-L332 VanDerWaalsContact C-N 3.26Å; K330-L332 PolarHBondContact O-N 3.33Å
333	L	98.6	Very high	97.6	Very high	2 Å²	2	55.2 Å²	55.2	1%	0.01	31%	0.312	C	S	.	.	S	Bend	trans	-103	11	-162	-53.8	176.4	0	0	0	113.7	P191 Y306 C326 Y329 K330	P191-L333 VanDerWaalsContact C-CD2 3.47Å; P191-L333 HydrophobicContact CB-CD1 3.79Å; P191-L333 HydrophobicContact CB-CD2 3.91Å; P191-L333 HydrophobicContact CB-CG 4.31Å; P191-L333 WeakPolarHBondContact O-CD2 3.47Å; Y306-L333 HydrophobicContact CD1-CD1 4.11Å; Y306-L333 HydrophobicContact CG-CB 4.46Å; Y306-L333 HydrophobicContact CG-CD1 4.23Å; Y306-L333 PolarHBondContact N-O 3.47Å; C326-L333 HydrophobicContact CB-CD1 3.63Å; Y329-L333 WeakPolarHBondContact O-CG 3.38Å; K330-L333 CarbonylContact O-C 3.57Å; K330-L333 PolarHBondContact O-N 3.13Å
334	S	97.8	Very high	97.6	Very high	46 Å²	46	59.6 Å²	59.6	32%	0.322	34%	0.335	S	S	.	.	S	Bend	trans	-135.1	158.5	171.8	70.9	0	0	0	0	109.8	K75 K330	K75-S334 VanDerWaalsContact CD-O 3.26Å; K75-S334 WeakPolarHBondContact CD-O 3.48Å; K75-S334 WeakPolarHBondContact CE-O 3.48Å; K75-S334 PolarHBondContact NZ-O 2.87Å; K330-S334 PolarHBondContact O-N 2.99Å; K330-S334 PolarHBondContact O-OG 2.96Å
335	A	98.4	Very high	97.6	Very high	30 Å²	30	57.6 Å²	57.6	25%	0.248	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-61.2	153.8	167.9	0	0	0	0	0	111.3	A339	A335-A339 HydrophobicContact CB-CB 4.31Å
336	D	98.2	Very high	97.6	Very high	41 Å²	41	62 Å²	62	22%	0.219	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-71.6	150.7	165.7	-68.9	-38.6	0	0	0	109.9	R63 P69 M70 K75 G338 A339	R63-D336 IonicContact NH2-OD1 3.66Å; R63-D336 PolarHBondContact NH2-OD1 3.05Å; R63-D336 IonicContact NH2-OD2 3.26Å; P69-D336 HydrophobicContact CB-CB 3.86Å; M70-D336 PolarHBondContact N-OD2 2.83Å; M70-D336 PolarHBondContact O-N 2.95Å; K75-D336 WeakPolarHBondContact CE-OD1 3.5Å; K75-D336 WeakPolarHBondContact CE-OD2 3.25Å; K75-D336 IonicContact NZ-OD1 3.47Å; K75-D336 PolarHBondContact NZ-OD1 2.95Å; K75-D336 IonicContact NZ-OD2 2.66Å; D336-G338 PolarHBondContact O-N 3.47Å; D336-A339 VanDerWaalsContact O-CB 3.3Å; D336-A339 WeakPolarHBondContact O-CB 2.87Å; D336-A339 PolarHBondContact O-N 3.36Å; D336-A339 VanDerWaalsContact O-N 3.15Å
337	A	96.4	Very high	97.6	Very high	99 Å²	99	62.5 Å²	62.5	82%	0.818	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	132	171.6	0	0	0	0	0	110.1	A339	A337-A339 VanDerWaalsContact C-N 3.32Å
338	G	95.9	Very high	97.7	Very high	64 Å²	64	63 Å²	63	66%	0.66	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.8	14.3	-177.1	0	0	0	0	0	114.7	D336 E340	D336-G338 PolarHBondContact O-N 3.47Å; G338-E340 PolarHBondContact O-N 3.44Å
339	A	97.5	Very high	97.7	Very high	15 Å²	15	55 Å²	55	12%	0.124	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-58.2	132.9	170.8	0	0	0	0	0	111.7	P69 M70 T71 A335 D336 A337	P69-A339 HydrophobicContact CB-CB 4.4Å; M70-A339 WeakPolarHBondContact O-CB 3.42Å; T71-A339 HydrophobicContact CG2-CB 3.95Å; A335-A339 HydrophobicContact CB-CB 4.31Å; D336-A339 VanDerWaalsContact O-CB 3.3Å; D336-A339 WeakPolarHBondContact O-CB 2.87Å; D336-A339 PolarHBondContact O-N 3.36Å; D336-A339 VanDerWaalsContact O-N 3.15Å; A337-A339 VanDerWaalsContact C-N 3.32Å
340	E	97.1	Very high	97.8	Very high	148 Å²	148	55.9 Å²	55.9	69%	0.692	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-93.1	134	-176.8	-65	179.2	175.9	0	0	111.9	T71 R91 G338	T71-E340 WeakPolarHBondContact CG2-O 3.42Å; R91-E340 PolarHBondContact NH1-O 3.2Å; R91-E340 PolarHBondContact NH2-O 3.28Å; G338-E340 PolarHBondContact O-N 3.44Å
341	Y	98.4	Very high	97.8	Very high	49 Å²	49	58 Å²	58	19%	0.192	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-101.8	139.2	172.3	-56.4	-68.3	0	0	0	109.8	T71 I236 E273 F275 Q343 L344	T71-Y341 HydrophobicContact CG2-CD1 3.78Å; T71-Y341 HydrophobicContact CG2-CE1 3.66Å; I236-Y341 HydrophobicContact CB-CD1 4.38Å; I236-Y341 HydrophobicContact CG2-CD1 3.75Å; I236-Y341 HydrophobicContact CG2-CE1 4.14Å; E273-Y341 HydrophobicContact CB-CE1 4.09Å; E273-Y341 HydrophobicContact CG-CE1 4.12Å; E273-Y341 PolarHBondContact OE1-OH 3.4Å; F275-Y341 AromaticContact CD1-CE2 3.84Å; F275-Y341 HydrophobicContact CD1-CE2 3.84Å; F275-Y341 AromaticContact CD1-CZ 3.81Å; F275-Y341 HydrophobicContact CE1-CD2 4.01Å; F275-Y341 AromaticContact CE1-CE2 3.39Å; F275-Y341 HydrophobicContact CE1-CE2 3.39Å; F275-Y341 AromaticContact CE1-CZ 3.85Å; F275-Y341 HydrophobicContact CE2-CE2 4.12Å; F275-Y341 HydrophobicContact CG-CE2 4.37Å; F275-Y341 HydrophobicContact CZ-CD2 4.15Å; F275-Y341 AromaticContact CZ-CE2 3.54Å; F275-Y341 HydrophobicContact CZ-CE2 3.54Å; Y341-Q343 WeakPolarHBondContact CB-O 2.96Å; Y341-Q343 PolarHBondContact O-N 3.05Å; Y341-L344 HydrophobicContact CD2-CD1 4.4Å
342	D	98.6	Very high	97.9	Very high	72 Å²	72	55.9 Å²	55.9	39%	0.385	32%	0.324	S	S	.	.	S	Bend	trans	-68.4	-23.7	176.3	-63.4	-88.2	0	0	0	112.1	R91 K235 I236 Y270	R91-D342 WeakPolarHBondContact CD-OD2 3.15Å; R91-D342 IonicContact CZ-OD2 2.79Å; R91-D342 IonicContact NE-OD2 3.77Å; R91-D342 IonicContact NH1-OD1 3.96Å; R91-D342 IonicContact NH1-OD2 2.73Å; R91-D342 PolarHBondContact NH1-OD2 3.23Å; K235-D342 WeakPolarHBondContact CA-OD2 3.48Å; K235-D342 HydrophobicContact CB-CB 4.06Å; K235-D342 HydrophobicContact CD-CB 4.35Å; K235-D342 HydrophobicContact CG-CB 4.46Å; I236-D342 PolarHBondContact N-OD2 3.25Å; I236-D342 PolarHBondContact O-N 3.11Å; Y270-D342 HydrophobicContact CE1-CB 3.94Å
343	Q	98.2	Very high	97.8	Very high	71 Å²	71	59.7 Å²	59.7	33%	0.332	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	143.1	173.6	-177.9	172.6	-18.3	0	0	108.8	M237 G238 Y270 Y341	M237-Q343 CarbonylContact C-O 3.35Å; M237-Q343 WeakPolarHBondContact CA-O 3.36Å; M237-Q343 HydrophobicContact CE-CB 4.49Å; M237-Q343 HydrophobicContact CE-CG 4.39Å; M237-Q343 HydrophobicContact CG-CB 4.27Å; M237-Q343 HydrophobicContact CG-CG 4.42Å; G238-Q343 PolarHBondContact N-O 3.41Å; Y270-Q343 HydrophobicContact CE1-CB 4.23Å; Y341-Q343 WeakPolarHBondContact CB-O 2.96Å; Y341-Q343 PolarHBondContact O-N 3.05Å
344	L	98.2	Very high	97.7	Very high	92 Å²	92	60 Å²	60	48%	0.482	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	133.1	177.2	-177.7	65.4	0	0	0	110	G238 K240 F275 Y341	G238-L344 CarbonylContact O-C 3.55Å; G238-L344 WeakPolarHBondContact O-CA 3.42Å; K240-L344 HydrophobicContact CB-CD1 4.37Å; F275-L344 HydrophobicContact CE1-CD1 3.64Å; F275-L344 HydrophobicContact CZ-CD1 3.53Å; Y341-L344 HydrophobicContact CD2-CD1 4.4Å
345	I	98.3	Very high	97.7	Very high	20 Å²	20	58.4 Å²	58.4	10%	0.103	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	136.7	170.6	-62.6	178.7	0	0	0	107.8	M237 G238 V239 K240 L258 L261 L262 V347	M237-I345 HydrophobicContact SD-CD1 3.85Å; G238-I345 PolarHBondContact O-N 3.45Å; V239-I345 CarbonylContact C-O 3.25Å; V239-I345 WeakPolarHBondContact CA-O 3.47Å; V239-I345 HydrophobicContact CG2-CB 4.39Å; K240-I345 PolarHBondContact N-O 3.34Å; L258-I345 HydrophobicContact CD2-CD1 4.44Å; L258-I345 HydrophobicContact CD2-CG2 3.9Å; L261-I345 HydrophobicContact CD1-CG2 4.03Å; L262-I345 HydrophobicContact CD1-CD1 4.38Å; L262-I345 HydrophobicContact CD2-CD1 3.53Å; L262-I345 HydrophobicContact CG-CD1 4.01Å; I345-V347 HydrophobicContact CG2-CG2 4.23Å
346	E	98.3	Very high	97.7	Very high	122 Å²	122	57 Å²	57	57%	0.57	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.8	135.7	173.6	-55.2	-159.4	154.4	0	0	109.9	K240	K240-E346 HydrophobicContact CB-CG 4.25Å; K240-E346 HydrophobicContact CD-CG 4.26Å; K240-E346 WeakPolarHBondContact CD-OE1 3.39Å; K240-E346 IonicContact NZ-OE1 2.73Å; K240-E346 PolarHBondContact NZ-OE1 3.37Å; K240-E346 IonicContact NZ-OE2 3.54Å; K240-E346 WeakPolarHBondContact O-CA 3.35Å
347	V	98	Very high	97.7	Very high	11 Å²	11	55 Å²	55	7%	0.067	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	118.6	175.7	-178.3	0	0	0	0	108.6	V239 K240 L241 D242 L258 I345 L349	V239-V347 HydrophobicContact CG1-CG2 4.22Å; K240-V347 PolarHBondContact O-N 3.5Å; L241-V347 HydrophobicContact CD2-CB 3.88Å; L241-V347 HydrophobicContact CD2-CG1 4.5Å; L241-V347 HydrophobicContact CD2-CG2 4.41Å; D242-V347 PolarHBondContact N-O 2.74Å; L258-V347 HydrophobicContact CD2-CG2 4.06Å; I345-V347 HydrophobicContact CG2-CG2 4.23Å; V347-L349 HydrophobicContact CG1-CD2 4.4Å
348	N	98.2	Very high	97.8	Very high	55 Å²	55	50.3 Å²	50.3	29%	0.294	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	109.8	171.2	-174.2	-12.3	0	0	0	109.4	S350 E351 L352	N348-S350 VanDerWaalsContact C-N 3.28Å; N348-S350 PolarHBondContact O-N 2.72Å; N348-S350 WeakPolarHBondContact OD1-CB 3.42Å; N348-S350 PolarHBondContact OD1-N 2.96Å; N348-E351 HydrophobicContact CB-CB 4.3Å; N348-E351 HydrophobicContact CB-CG 4.47Å; N348-E351 WeakPolarHBondContact ND2-CG 3.49Å; N348-E351 PolarHBondContact ND2-OE1 2.77Å; N348-E351 PolarHBondContact O-N 2.88Å; N348-L352 PolarHBondContact O-N 3.5Å
349	L	98.6	Very high	97.9	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-66.9	-29.6	-179.1	-58.7	179.9	0	0	0	112.2	L241 D242 E244 L245 V254 G278 S281 I282 V347 E351 L352	L241-L349 HydrophobicContact CB-CD1 4.23Å; L241-L349 HydrophobicContact CB-CG 4.39Å; L241-L349 HydrophobicContact CD2-CD2 4.31Å; D242-L349 VanDerWaalsContact O-CB 3.28Å; D242-L349 WeakPolarHBondContact O-CB 3.5Å; D242-L349 VanDerWaalsContact O-CG 3.27Å; D242-L349 WeakPolarHBondContact O-CG 3.19Å; D242-L349 PolarHBondContact O-N 2.97Å; E244-L349 CarbonylContact O-C 3.47Å; L245-L349 HydrophobicContact CD2-CB 4.31Å; L245-L349 HydrophobicContact CD2-CD2 4.12Å; L245-L349 HydrophobicContact CG-CB 4.41Å; L245-L349 HydrophobicContact CG-CD1 4.4Å; L245-L349 HydrophobicContact CG-CD2 4.46Å; V254-L349 HydrophobicContact CG2-CD2 3.57Å; G278-L349 WeakPolarHBondContact O-CD1 3.11Å; S281-L349 WeakPolarHBondContact OG-CD1 3.42Å; I282-L349 HydrophobicContact CD1-CD1 4.26Å; I282-L349 HydrophobicContact CG1-CD1 4.44Å; V347-L349 HydrophobicContact CG1-CD2 4.4Å; L349-E351 VanDerWaalsContact C-N 3.3Å; L349-E351 PolarHBondContact O-N 2.6Å; L349-L352 HydrophobicContact CD2-CD2 4.48Å; L349-L352 WeakPolarHBondContact O-CB 3.44Å; L349-L352 PolarHBondContact O-N 2.92Å
350	S	97.9	Very high	97.7	Very high	69 Å²	69	49.6 Å²	49.6	48%	0.483	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-73.3	-22.6	-179.5	-57.5	0	0	0	0	113.1	G243 E244 N348	G243-S350 WeakPolarHBondContact CA-OG 3.22Å; E244-S350 PolarHBondContact N-OG 3Å; E244-S350 VanDerWaalsContact N-OG 3.08Å; E244-S350 WeakPolarHBondContact O-CA 3.41Å; E244-S350 PolarHBondContact O-N 3.41Å; N348-S350 VanDerWaalsContact C-N 3.28Å; N348-S350 PolarHBondContact O-N 2.72Å; N348-S350 WeakPolarHBondContact OD1-CB 3.42Å; N348-S350 PolarHBondContact OD1-N 2.96Å
351	E	97.3	Very high	97.6	Very high	151 Å²	151	43.9 Å²	43.9	71%	0.706	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-99.5	-4.4	176.6	-68.6	172.4	-168.1	0	0	112.3	N348 L349 E353	N348-E351 HydrophobicContact CB-CB 4.3Å; N348-E351 HydrophobicContact CB-CG 4.47Å; N348-E351 WeakPolarHBondContact ND2-CG 3.49Å; N348-E351 PolarHBondContact ND2-OE1 2.77Å; N348-E351 PolarHBondContact O-N 2.88Å; L349-E351 VanDerWaalsContact C-N 3.3Å; L349-E351 PolarHBondContact O-N 2.6Å; E351-E353 PolarHBondContact O-N 3.31Å
352	L	97.3	Very high	97.5	Very high	16 Å²	16	41.6 Å²	41.6	8%	0.084	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-74.4	121.7	-177.1	-175	63.1	0	0	0	110.5	L245 T249 D253 V254 R257 N348 L349	L245-L352 HydrophobicContact CD2-CD2 4.14Å; T249-L352 WeakPolarHBondContact CB-O 3.4Å; T249-L352 HydrophobicContact CG2-CB 3.92Å; T249-L352 HydrophobicContact CG2-CD2 3.79Å; T249-L352 HydrophobicContact CG2-CG 3.66Å; T249-L352 WeakPolarHBondContact CG2-O 3.35Å; T249-L352 PolarHBondContact OG1-O 2.88Å; D253-L352 HydrophobicContact CB-CD2 3.93Å; D253-L352 HydrophobicContact CB-CG 4.19Å; V254-L352 HydrophobicContact CB-CD2 4.37Å; V254-L352 HydrophobicContact CG2-CD2 3.74Å; R257-L352 HydrophobicContact CB-CD1 3.86Å; R257-L352 HydrophobicContact CG-CD1 4.11Å; N348-L352 PolarHBondContact O-N 3.5Å; L349-L352 HydrophobicContact CD2-CD2 4.48Å; L349-L352 WeakPolarHBondContact O-CB 3.44Å; L349-L352 PolarHBondContact O-N 2.92Å
353	E	96.2	Very high	97.4	Very high	80 Å²	80	39.6 Å²	39.6	37%	0.374	20%	0.201	S	C	.	.	P	Polyproline II helix	trans	-92.5	150.9	177	-62.1	-178.6	146.9	0	0	112.2	E351 T367 H369	E351-E353 PolarHBondContact O-N 3.31Å; E353-T367 WeakPolarHBondContact OE2-CG2 3.18Å; E353-H369 IonicContact OE1-CD2 3.28Å; E353-H369 PolarHBondContact OE1-CD2 2.95Å; E353-H369 IonicContact OE1-NE2 3.78Å; E353-H369 IonicContact OE2-CD2 3.86Å
354	P	97.9	Very high	97.4	Very high	8 Å²	8	39.3 Å²	39.3	5%	0.052	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-57.3	141.5	171.5	-19.6	30.3	0	0	0	111.8	W248 I368 L502	W248-P354 HydrophobicContact CB-CB 4.3Å; W248-P354 HydrophobicContact CB-CG 3.39Å; P354-I368 HydrophobicContact CB-CB 4.32Å; P354-I368 HydrophobicContact CB-CG2 4.12Å; P354-I368 HydrophobicContact CG-CG2 4.38Å; P354-I368 PolarHBondContact O-N 3.34Å; P354-L502 HydrophobicContact CB-CD2 4.05Å
355	R	97.4	Very high	97.3	Very high	13 Å²	13	35.9 Å²	35.9	5%	0.049	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	160.5	-170.1	43.6	176.6	59.3	-135.5	-5.5	114.9	D253 L256 R257 E260 H366 S498	D253-R355 HydrophobicContact CB-CG 3.84Å; D253-R355 WeakPolarHBondContact O-CD 3.21Å; D253-R355 WeakPolarHBondContact OD1-CG 3.49Å; D253-R355 PolarHBondContact OD1-N 3.23Å; L256-R355 HydrophobicContact CB-CG 3.91Å; L256-R355 HydrophobicContact CD1-CG 4.13Å; R257-R355 VanDerWaalsContact CA-NH1 3.31Å; E260-R355 IonicContact OE2-CZ 3.97Å; E260-R355 IonicContact OE2-NH1 3.32Å; E260-R355 PolarHBondContact OE2-NH1 2.99Å; E260-R355 IonicContact OE2-NH2 2.67Å; E260-R355 PolarHBondContact OE2-NH2 2.83Å; R355-H366 VanDerWaalsContact CA-O 3.25Å; R355-H366 WeakPolarHBondContact CA-O 3.41Å; R355-H366 WeakPolarHBondContact CB-O 3.42Å; R355-S498 WeakPolarHBondContact O-CB 3.4Å; R355-S498 PolarHBondContact O-OG 3.27Å
356	L	98.1	Very high	97.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	135.4	173	-62.3	96.7	0	0	0	109.3	H366 I368 I371 V476 F496 V497 L502 I506 L512	L356-H366 PolarHBondContact N-O 3.15Å; L356-H366 PolarHBondContact O-CD2 3.09Å; L356-H366 PolarHBondContact O-N 2.93Å; L356-I368 HydrophobicContact CD1-CD1 3.78Å; L356-I371 HydrophobicContact CD1-CG2 4.33Å; L356-V476 HydrophobicContact CD2-CG1 4.39Å; L356-F496 HydrophobicContact CB-CB 4.41Å; L356-F496 HydrophobicContact CD2-CB 4.09Å; L356-V497 WeakPolarHBondContact CA-O 3.29Å; L356-L502 HydrophobicContact CD1-CD2 3.79Å; L356-L502 HydrophobicContact CG-CD2 4.29Å; L356-I506 HydrophobicContact CD1-CD1 4.21Å; L356-I506 HydrophobicContact CD2-CD1 3.65Å; L356-I506 HydrophobicContact CG-CD1 4.5Å; L356-L512 HydrophobicContact CD2-CD1 4.26Å
357	N	98.5	Very high	97.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	139.9	173.4	-62.9	17.4	0	0	0	110.7	L256 P362 L364 A365 N482 F496 V497	L256-N357 HydrophobicContact CD2-CB 4.01Å; L256-N357 PolarHBondContact O-ND2 2.81Å; N357-P362 WeakPolarHBondContact CB-O 3.39Å; N357-P362 PolarHBondContact ND2-O 2.73Å; N357-L364 CarbonylContact C-O 3.39Å; N357-L364 WeakPolarHBondContact CA-O 3.24Å; N357-A365 VanDerWaalsContact OD1-CA 3.28Å; N357-A365 WeakPolarHBondContact OD1-CA 3.12Å; N357-A365 WeakPolarHBondContact OD1-CB 3.31Å; N357-N482 PolarHBondContact O-ND2 3.4Å; N357-N482 VanDerWaalsContact O-ND2 3.16Å; N357-F496 CarbonylContact O-C 3.47Å; N357-F496 VanDerWaalsContact O-CA 3.31Å; N357-F496 WeakPolarHBondContact O-CA 3.46Å; N357-V497 HydrophobicContact CB-CG2 4.01Å; N357-V497 PolarHBondContact N-O 2.9Å; N357-V497 WeakPolarHBondContact O-CG2 3.22Å; N357-V497 PolarHBondContact O-N 3.27Å
358	G	97.9	Very high	97.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.16	C	C	.	.			trans	148.7	-177.4	178.4	0	0	0	0	0	115.6	L364 H366 N482	G358-L364 PolarHBondContact N-O 2.8Å; G358-L364 WeakPolarHBondContact O-CD2 3.26Å; G358-L364 WeakPolarHBondContact O-CG 3.38Å; G358-H366 PolarHBondContact O-NE2 3.49Å; G358-N482 WeakPolarHBondContact CA-ND2 3.38Å
359	P	97	Very high	97.2	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.006	16%	0.16	C	C	.	.	S	Bend	cis	-101.6	-4	22.7	33.5	-32.8	0	0	0	117.9	Y380 R494 A495 F496	P359-Y380 HydrophobicContact CG-CD1 4.44Å; P359-Y380 HydrophobicContact CG-CD2 4.29Å; P359-Y380 HydrophobicContact CG-CE1 3.95Å; P359-Y380 HydrophobicContact CG-CE2 3.77Å; P359-R494 HydrophobicContact CB-CB 3.62Å; P359-R494 HydrophobicContact CB-CG 4.34Å; P359-R494 HydrophobicContact CG-CB 4.33Å; P359-A495 CarbonylContact C-O 3.54Å; P359-A495 VanDerWaalsContact CA-O 3.25Å; P359-A495 WeakPolarHBondContact CA-O 3.39Å; P359-A495 PolarHBondContact O-N 3.07Å; P359-A495 VanDerWaalsContact O-O 3.05Å; P359-F496 HydrophobicContact CB-CE1 4.17Å; P359-F496 HydrophobicContact CB-CE2 3.91Å; P359-F496 HydrophobicContact CB-CZ 3.72Å; P359-F496 HydrophobicContact CG-CZ 4.2Å
360	F	94.8	Very high	97.1	Very high	64 Å²	64	33.7 Å²	33.7	28%	0.281	18%	0.176	S	C	.	.	S	Bend	trans	-126.5	-0.2	-172.8	-61	-70.2	0	0	0	114.7	N482 T484	F360-N482 CarbonylContact C-O 3.52Å; F360-N482 VanDerWaalsContact CA-O 3.27Å; F360-N482 WeakPolarHBondContact CA-O 3.32Å; F360-T484 WeakPolarHBondContact CD1-OG1 3.42Å; F360-T484 HydrophobicContact CE1-CG2 4.43Å
361	T	94.7	Very high	97.1	Very high	28 Å²	28	30.4 Å²	30.4	17%	0.172	15%	0.154	C	C	.	.	S	Bend	trans	-152.7	142.5	-175.9	-168.7	0	0	0	0	108.7	D363 L364 N482	T361-D363 VanDerWaalsContact CB-OD1 3.24Å; T361-D363 WeakPolarHBondContact CB-OD1 3.49Å; T361-D363 WeakPolarHBondContact CG2-OD1 3.48Å; T361-D363 PolarHBondContact O-N 2.79Å; T361-D363 PolarHBondContact OG1-OD1 3.21Å; T361-L364 HydrophobicContact CG2-CB 3.59Å; T361-N482 WeakPolarHBondContact CA-OD1 3.31Å; T361-N482 PolarHBondContact N-OD1 3.26Å; T361-N482 PolarHBondContact O-ND2 3.37Å; T361-N482 PolarHBondContact O-OD1 3.35Å
362	P	95.8	Very high	97.1	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-5.8	-174.3	31.8	-38.3	0	0	0	113	A259 E296 N357 N482 F483	A259-P362 WeakPolarHBondContact CB-O 3.37Å; E296-P362 HydrophobicContact CB-CB 3.95Å; E296-P362 HydrophobicContact CB-CG 3.74Å; E296-P362 HydrophobicContact CG-CB 3.76Å; E296-P362 HydrophobicContact CG-CG 3.69Å; N357-P362 WeakPolarHBondContact CB-O 3.39Å; N357-P362 PolarHBondContact ND2-O 2.73Å; P362-N482 VanDerWaalsContact N-OD1 3.08Å; P362-F483 HydrophobicContact CG-CE1 4.37Å
363	D	96.8	Very high	97.1	Very high	31 Å²	31	29.3 Å²	29.3	17%	0.166	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-11.3	-177.9	57	-6.6	0	0	0	114.4	A259 E260 T263 A264 T361 A365	A259-D363 HydrophobicContact CB-CB 4.41Å; A259-D363 WeakPolarHBondContact O-CB 3.47Å; E260-D363 WeakPolarHBondContact CA-O 3.39Å; T263-D363 VanDerWaalsContact CA-OD2 3.29Å; T263-D363 WeakPolarHBondContact CA-OD2 3.35Å; T263-D363 WeakPolarHBondContact CB-OD2 3.41Å; A264-D363 PolarHBondContact N-OD2 3.13Å; T361-D363 VanDerWaalsContact CB-OD1 3.24Å; T361-D363 WeakPolarHBondContact CB-OD1 3.49Å; T361-D363 WeakPolarHBondContact CG2-OD1 3.48Å; T361-D363 PolarHBondContact O-N 2.79Å; T361-D363 PolarHBondContact OG1-OD1 3.21Å; D363-A365 VanDerWaalsContact C-N 3.35Å; D363-A365 PolarHBondContact O-N 2.85Å
364	L	97.3	Very high	97.2	Very high	65 Å²	65	27.8 Å²	27.8	34%	0.34	14%	0.142	S	C	.	.			trans	-78	85.7	175.1	179.9	56.7	0	0	0	109.8	N357 G358 T361 H366	N357-L364 CarbonylContact C-O 3.39Å; N357-L364 WeakPolarHBondContact CA-O 3.24Å; G358-L364 PolarHBondContact N-O 2.8Å; G358-L364 WeakPolarHBondContact O-CD2 3.26Å; G358-L364 WeakPolarHBondContact O-CG 3.38Å; T361-L364 HydrophobicContact CG2-CB 3.59Å; L364-H366 PolarHBondContact O-CD2 3.5Å; L364-H366 PolarHBondContact O-NE2 3.23Å
365	A	96.7	Very high	97.2	Very high	19 Å²	19	27.4 Å²	27.4	16%	0.157	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	146.4	-172.2	0	0	0	0	0	114.3	E260 N357 D363	E260-A365 HydrophobicContact CB-CB 3.63Å; E260-A365 HydrophobicContact CG-CB 3.71Å; N357-A365 VanDerWaalsContact OD1-CA 3.28Å; N357-A365 WeakPolarHBondContact OD1-CA 3.12Å; N357-A365 WeakPolarHBondContact OD1-CB 3.31Å; D363-A365 VanDerWaalsContact C-N 3.35Å; D363-A365 PolarHBondContact O-N 2.85Å
366	H	98.2	Very high	97.2	Very high	8 Å²	8	33.3 Å²	33.3	4%	0.037	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	139.9	174.5	-50.5	-73.4	0	0	0	108.5	R355 L356 G358 L364 N370 I371 H374	R355-H366 VanDerWaalsContact CA-O 3.25Å; R355-H366 WeakPolarHBondContact CA-O 3.41Å; R355-H366 WeakPolarHBondContact CB-O 3.42Å; L356-H366 PolarHBondContact N-O 3.15Å; L356-H366 PolarHBondContact O-CD2 3.09Å; L356-H366 PolarHBondContact O-N 2.93Å; G358-H366 PolarHBondContact O-NE2 3.49Å; L364-H366 PolarHBondContact O-CD2 3.5Å; L364-H366 PolarHBondContact O-NE2 3.23Å; H366-N370 WeakPolarHBondContact CB-OD1 3.33Å; H366-I371 HydrophobicContact CB-CB 3.9Å; H366-I371 HydrophobicContact CB-CD1 3.7Å; H366-I371 HydrophobicContact CB-CG1 4.33Å; H366-I371 VanDerWaalsContact CD2-CD1 3.47Å; H366-I371 WeakPolarHBondContact CD2-CD1 3.29Å; H366-H374 AromaticContact CE1-CD2 3.53Å; H366-H374 AromaticContact CE1-CE1 3.26Å; H366-H374 PolarHBondContact CE1-CE1 3.31Å; H366-H374 AromaticContact CE1-CG 3.4Å; H366-H374 VanDerWaalsContact CE1-CG 3.4Å; H366-H374 AromaticContact CE1-ND1 3.23Å; H366-H374 PolarHBondContact CE1-ND1 3.15Å; H366-H374 AromaticContact CE1-NE2 3.46Å; H366-H374 PolarHBondContact CE1-NE2 3.25Å; H366-H374 AromaticContact ND1-CD2 3.79Å; H366-H374 AromaticContact ND1-CG 3.51Å; H366-H374 AromaticContact ND1-ND1 3.74Å; H366-H374 AromaticContact NE2-CE1 3.84Å; H366-H374 AromaticContact NE2-ND1 3.79Å
367	T	97.8	Very high	97.2	Very high	25 Å²	25	37.2 Å²	37.2	15%	0.153	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	157.8	167.3	68.8	0	0	0	0	108.7	E353 H369 N370 I371	E353-T367 WeakPolarHBondContact OE2-CG2 3.18Å; T367-H369 PolarHBondContact O-N 2.79Å; T367-H369 VanDerWaalsContact O-N 3.1Å; T367-N370 PolarHBondContact N-OD1 3.27Å; T367-N370 PolarHBondContact O-N 2.84Å; T367-N370 PolarHBondContact O-OD1 2.87Å; T367-N370 PolarHBondContact OG1-OD1 3.02Å; T367-I371 PolarHBondContact O-N 3.23Å; T367-I371 VanDerWaalsContact O-N 3.15Å
368	I	97.2	Very high	97.1	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.01	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-26.5	176.7	-169.3	53.8	0	0	0	112.4	P354 L356 I371 L502 I506 D515 T517	P354-I368 HydrophobicContact CB-CB 4.32Å; P354-I368 HydrophobicContact CB-CG2 4.12Å; P354-I368 HydrophobicContact CG-CG2 4.38Å; P354-I368 PolarHBondContact O-N 3.34Å; L356-I368 HydrophobicContact CD1-CD1 3.78Å; I368-I371 HydrophobicContact CD1-CG2 4.43Å; I368-L502 HydrophobicContact CD1-CD1 3.83Å; I368-L502 HydrophobicContact CD1-CD2 4.02Å; I368-L502 HydrophobicContact CD1-CG 4.27Å; I368-L502 HydrophobicContact CG1-CD1 4.11Å; I368-L502 HydrophobicContact CG1-CD2 4.41Å; I368-I506 HydrophobicContact CD1-CD1 4.4Å; I368-D515 HydrophobicContact CG1-CB 4.23Å; I368-T517 HydrophobicContact CG2-CG2 4.4Å
369	H	97.3	Very high	97	Very high	61 Å²	61	44 Å²	44	28%	0.282	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-30.2	-178.6	-55.6	-49.6	0	0	0	113.7	E353 T367 D515 T517 R518	E353-H369 IonicContact OE1-CD2 3.28Å; E353-H369 PolarHBondContact OE1-CD2 2.95Å; E353-H369 IonicContact OE1-NE2 3.78Å; E353-H369 IonicContact OE2-CD2 3.86Å; T367-H369 PolarHBondContact O-N 2.79Å; T367-H369 VanDerWaalsContact O-N 3.1Å; H369-D515 IonicContact CE1-OD2 3.11Å; H369-D515 IonicContact CG-OD2 3.69Å; H369-D515 IonicContact ND1-OD1 3.98Å; H369-D515 IonicContact ND1-OD2 3.37Å; H369-D515 PolarHBondContact ND1-OD2 2.88Å; H369-T517 PolarHBondContact CE1-OG1 2.93Å; H369-T517 VanDerWaalsContact CE1-OG1 3.23Å; H369-R518 PolarHBondContact O-NH2 2.83Å
370	N	97.3	Very high	97	Very high	66 Å²	66	45.6 Å²	45.6	35%	0.353	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.2	-14.3	-171.6	75.1	2.5	0	0	0	115	H366 T367 G372 E373 H374	H366-N370 WeakPolarHBondContact CB-OD1 3.33Å; T367-N370 PolarHBondContact N-OD1 3.27Å; T367-N370 PolarHBondContact O-N 2.84Å; T367-N370 PolarHBondContact O-OD1 2.87Å; T367-N370 PolarHBondContact OG1-OD1 3.02Å; N370-G372 PolarHBondContact O-N 3.37Å; N370-G372 VanDerWaalsContact O-N 3.1Å; N370-E373 PolarHBondContact O-N 2.96Å; N370-H374 PolarHBondContact O-N 3.15Å
371	I	97.8	Very high	97.2	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-53.8	-36.5	-177.8	-178.1	60.6	0	0	0	113.2	L356 H366 T367 I368 H374 A375 F496 L512	L356-I371 HydrophobicContact CD1-CG2 4.33Å; H366-I371 HydrophobicContact CB-CB 3.9Å; H366-I371 HydrophobicContact CB-CD1 3.7Å; H366-I371 HydrophobicContact CB-CG1 4.33Å; H366-I371 VanDerWaalsContact CD2-CD1 3.47Å; H366-I371 WeakPolarHBondContact CD2-CD1 3.29Å; T367-I371 PolarHBondContact O-N 3.23Å; T367-I371 VanDerWaalsContact O-N 3.15Å; I368-I371 HydrophobicContact CD1-CG2 4.43Å; I371-H374 PolarHBondContact O-N 3.02Å; I371-A375 VanDerWaalsContact O-CB 3.28Å; I371-A375 WeakPolarHBondContact O-CB 3.34Å; I371-A375 PolarHBondContact O-N 2.78Å; I371-F496 HydrophobicContact CD1-CD1 4.01Å; I371-F496 HydrophobicContact CD1-CE1 3.61Å; I371-F496 HydrophobicContact CD1-CZ 4.25Å; I371-L512 HydrophobicContact CD1-CD2 4.41Å; I371-L512 HydrophobicContact CG1-CD1 4.03Å; I371-L512 HydrophobicContact CG1-CD2 4.21Å; I371-L512 HydrophobicContact CG1-CG 3.91Å
372	G	97.5	Very high	97.4	Very high	4 Å²	4	45.3 Å²	45.3	4%	0.041	25%	0.252	C	S	.	.	H	α-helix	trans	-67.5	-39.2	179.7	0	0	0	0	0	114.2	N370 R376	N370-G372 PolarHBondContact O-N 3.37Å; N370-G372 VanDerWaalsContact O-N 3.1Å; G372-R376 VanDerWaalsContact C-NH2 3.35Å; G372-R376 PolarHBondContact O-N 2.85Å; G372-R376 VanDerWaalsContact O-N 3.15Å; G372-R376 PolarHBondContact O-NE 3.27Å; G372-R376 PolarHBondContact O-NH2 3.39Å
373	E	97.5	Very high	97.5	Very high	139 Å²	139	50.5 Å²	50.5	65%	0.65	28%	0.277	S	S	*	.	H	α-helix	trans	-66	-46.9	173.8	-177.7	-179.3	175.6	0	0	110.2	N370 A375 R376 A377	N370-E373 PolarHBondContact O-N 2.96Å; E373-A375 VanDerWaalsContact C-N 3.31Å; E373-A375 PolarHBondContact O-N 2.88Å; E373-R376 PolarHBondContact O-N 3.02Å; E373-A377 WeakPolarHBondContact O-CB 3.31Å; E373-A377 PolarHBondContact O-N 2.87Å
374	H	96.8	Very high	97.6	Very high	48 Å²	48	49.1 Å²	49.1	22%	0.222	27%	0.27	C	S	.	.	H	α-helix	trans	-59.7	-42.1	177.7	-173.7	-87.2	0	0	0	112.1	H366 N370 I371 A377 N378 Y380	H366-H374 AromaticContact CE1-CD2 3.53Å; H366-H374 AromaticContact CE1-CE1 3.26Å; H366-H374 PolarHBondContact CE1-CE1 3.31Å; H366-H374 AromaticContact CE1-CG 3.4Å; H366-H374 VanDerWaalsContact CE1-CG 3.4Å; H366-H374 AromaticContact CE1-ND1 3.23Å; H366-H374 PolarHBondContact CE1-ND1 3.15Å; H366-H374 AromaticContact CE1-NE2 3.46Å; H366-H374 PolarHBondContact CE1-NE2 3.25Å; H366-H374 AromaticContact ND1-CD2 3.79Å; H366-H374 AromaticContact ND1-CG 3.51Å; H366-H374 AromaticContact ND1-ND1 3.74Å; H366-H374 AromaticContact NE2-CE1 3.84Å; H366-H374 AromaticContact NE2-ND1 3.79Å; N370-H374 PolarHBondContact O-N 3.15Å; I371-H374 PolarHBondContact O-N 3.02Å; H374-A377 PolarHBondContact O-N 2.8Å; H374-N378 PolarHBondContact CD2-ND2 2.92Å; H374-N378 PolarHBondContact CE1-ND2 3.18Å; H374-N378 PolarHBondContact ND1-ND2 2.92Å; H374-N378 PolarHBondContact NE2-ND2 3Å; H374-N378 VanDerWaalsContact NE2-ND2 3.17Å; H374-N378 PolarHBondContact O-N 3.44Å; H374-N378 VanDerWaalsContact O-N 3.07Å; H374-N378 PolarHBondContact O-ND2 2.69Å; H374-Y380 AromaticContact CE1-CE2 3.65Å; H374-Y380 AromaticContact ND1-CE2 3.68Å
375	A	98	Very high	97.6	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-61.3	-45.1	176.7	0	0	0	0	0	112.1	I371 E373 N378 G379 Y380 L382 L512	I371-A375 VanDerWaalsContact O-CB 3.28Å; I371-A375 WeakPolarHBondContact O-CB 3.34Å; I371-A375 PolarHBondContact O-N 2.78Å; E373-A375 VanDerWaalsContact C-N 3.31Å; E373-A375 PolarHBondContact O-N 2.88Å; A375-N378 PolarHBondContact O-N 3.48Å; A375-G379 PolarHBondContact O-N 3.42Å; A375-Y380 HydrophobicContact CB-CD2 4.41Å; A375-Y380 PolarHBondContact O-N 2.99Å; A375-L382 HydrophobicContact CB-CD2 3.63Å; A375-L512 HydrophobicContact CB-CD2 3.85Å
376	R	98.2	Very high	97.7	Very high	137 Å²	137	47.7 Å²	47.7	52%	0.517	26%	0.257	S	S	.	.	H	α-helix	trans	-63.3	-45.2	175.7	-75.8	-178.9	-76.5	-87.8	2.8	112.2	G372 E373 N378 G379 L382 D513	G372-R376 VanDerWaalsContact C-NH2 3.35Å; G372-R376 PolarHBondContact O-N 2.85Å; G372-R376 VanDerWaalsContact O-N 3.15Å; G372-R376 PolarHBondContact O-NE 3.27Å; G372-R376 PolarHBondContact O-NH2 3.39Å; E373-R376 PolarHBondContact O-N 3.02Å; R376-N378 VanDerWaalsContact C-N 3.26Å; R376-N378 PolarHBondContact O-N 3.41Å; R376-G379 PolarHBondContact O-N 2.97Å; R376-L382 HydrophobicContact CG-CD1 4.11Å; R376-D513 IonicContact CZ-OD2 3.55Å; R376-D513 IonicContact NH1-OD2 3.07Å; R376-D513 PolarHBondContact NH1-OD2 3.13Å
377	A	97.7	Very high	97.8	Very high	83 Å²	83	47.3 Å²	47.3	69%	0.686	26%	0.255	S	S	*	.	H	α-helix	trans	-61.9	-33.3	-179.3	0	0	0	0	0	112.8	E373 H374	E373-A377 WeakPolarHBondContact O-CB 3.31Å; E373-A377 PolarHBondContact O-N 2.87Å; H374-A377 PolarHBondContact O-N 2.8Å
378	N	96.9	Very high	97.8	Very high	81 Å²	81	46.1 Å²	46.1	43%	0.433	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	6	-178.1	-67.6	-86.5	0	0	0	114	H374 A375 R376 Y380	H374-N378 PolarHBondContact CD2-ND2 2.92Å; H374-N378 PolarHBondContact CE1-ND2 3.18Å; H374-N378 PolarHBondContact ND1-ND2 2.92Å; H374-N378 PolarHBondContact NE2-ND2 3Å; H374-N378 VanDerWaalsContact NE2-ND2 3.17Å; H374-N378 PolarHBondContact O-N 3.44Å; H374-N378 VanDerWaalsContact O-N 3.07Å; H374-N378 PolarHBondContact O-ND2 2.69Å; A375-N378 PolarHBondContact O-N 3.48Å; R376-N378 VanDerWaalsContact C-N 3.26Å; R376-N378 PolarHBondContact O-N 3.41Å; N378-Y380 VanDerWaalsContact C-N 3.29Å; N378-Y380 HydrophobicContact CB-CD1 4Å; N378-Y380 HydrophobicContact CB-CD2 4.13Å; N378-Y380 HydrophobicContact CB-CE1 3.59Å; N378-Y380 HydrophobicContact CB-CE2 3.74Å; N378-Y380 HydrophobicContact CB-CG 4.25Å; N378-Y380 VanDerWaalsContact CB-CZ 3.44Å; N378-Y380 PolarHBondContact O-N 3.09Å
379	G	96.7	Very high	97.9	Very high	60 Å²	60	46 Å²	46	62%	0.619	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	65	29.4	-179.5	0	0	0	0	0	114.1	A375 R376	A375-G379 PolarHBondContact O-N 3.42Å; R376-G379 PolarHBondContact O-N 2.97Å
380	Y	96.8	Very high	97.9	Very high	36 Å²	36	43.1 Å²	43.1	14%	0.141	23%	0.234	C	C	.	.			trans	-77.5	134	174	-56.3	-23.8	0	0	0	110	P359 H374 A375 N378 L382 F496	P359-Y380 HydrophobicContact CG-CD1 4.44Å; P359-Y380 HydrophobicContact CG-CD2 4.29Å; P359-Y380 HydrophobicContact CG-CE1 3.95Å; P359-Y380 HydrophobicContact CG-CE2 3.77Å; H374-Y380 AromaticContact CE1-CE2 3.65Å; H374-Y380 AromaticContact ND1-CE2 3.68Å; A375-Y380 HydrophobicContact CB-CD2 4.41Å; A375-Y380 PolarHBondContact O-N 2.99Å; N378-Y380 VanDerWaalsContact C-N 3.29Å; N378-Y380 HydrophobicContact CB-CD1 4Å; N378-Y380 HydrophobicContact CB-CD2 4.13Å; N378-Y380 HydrophobicContact CB-CE1 3.59Å; N378-Y380 HydrophobicContact CB-CE2 3.74Å; N378-Y380 HydrophobicContact CB-CG 4.25Å; N378-Y380 VanDerWaalsContact CB-CZ 3.44Å; N378-Y380 PolarHBondContact O-N 3.09Å; Y380-L382 PolarHBondContact O-N 2.94Å; Y380-F496 AromaticContact CD2-CZ 3.85Å; Y380-F496 HydrophobicContact CD2-CZ 3.85Å; Y380-F496 HydrophobicContact CE2-CZ 4.33Å
381	P	97.9	Very high	97.7	Very high	33 Å²	33	40 Å²	40	21%	0.214	22%	0.218	C	C	.	.			trans	-57.3	125.8	177.1	-23.4	32.6	0	0	0	111.1	I472 T474	P381-I472 HydrophobicContact CG-CG2 3.7Å; P381-T474 WeakPolarHBondContact O-CB 3.44Å; P381-T474 PolarHBondContact O-OG1 2.99Å
382	L	98.5	Very high	97.4	Very high	52 Å²	52	40.4 Å²	40.4	27%	0.272	22%	0.22	S	C	.	.	S	Bend	trans	-73.7	-30.7	175	-66.4	-179.1	0	0	0	111.6	A375 R376 Y380 V384 R511 L512 D513	A375-L382 HydrophobicContact CB-CD2 3.63Å; R376-L382 HydrophobicContact CG-CD1 4.11Å; Y380-L382 PolarHBondContact O-N 2.94Å; L382-V384 PolarHBondContact O-N 2.71Å; L382-R511 CarbonylContact O-C 3.57Å; L382-R511 WeakPolarHBondContact O-CA 3.44Å; L382-L512 PolarHBondContact O-N 3.23Å; L382-D513 HydrophobicContact CD2-CB 4.06Å
383	E	98.6	Very high	97.4	Very high	110 Å²	110	40.3 Å²	40.3	51%	0.514	22%	0.219	S	C	.	.	B	Isolated β-bridge	trans	-64.4	122.7	175.6	-172.5	-166.5	178.1	0	0	110.2	K385	E383-K385 WeakPolarHBondContact OE1-CE 3.31Å; E383-K385 IonicContact OE1-NZ 2.9Å; E383-K385 PolarHBondContact OE1-NZ 3.05Å; E383-K385 WeakPolarHBondContact OE2-CE 3.36Å; E383-K385 IonicContact OE2-NZ 3.21Å; E383-K385 PolarHBondContact OE2-NZ 3.39Å
384	V	98.7	Very high	97.4	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.012	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	112.4	174.4	174.9	0	0	0	0	107.9	L382 S419 T474 V476 I506 G510 L512	L382-V384 PolarHBondContact O-N 2.71Å; V384-S419 WeakPolarHBondContact CG1-OG 3.42Å; V384-S419 WeakPolarHBondContact O-CB 3.36Å; V384-S419 PolarHBondContact O-OG 3.46Å; V384-T474 HydrophobicContact CG2-CG2 4.14Å; V384-V476 HydrophobicContact CG1-CG1 4.24Å; V384-V476 HydrophobicContact CG1-CG2 3.68Å; V384-V476 HydrophobicContact CG2-CG1 4.17Å; V384-I506 HydrophobicContact CB-CG2 4.43Å; V384-I506 HydrophobicContact CG1-CG2 4.4Å; V384-I506 HydrophobicContact CG2-CG2 3.76Å; V384-G510 PolarHBondContact N-O 3.28Å; V384-L512 HydrophobicContact CG2-CB 4.01Å
385	K	98.4	Very high	97.4	Very high	53 Å²	53	31.5 Å²	31.5	23%	0.23	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	-44.4	-178.8	-69.9	-64.9	-173.4	-169.5	0	112.1	E383 N420 V467 N473 T474	E383-K385 WeakPolarHBondContact OE1-CE 3.31Å; E383-K385 IonicContact OE1-NZ 2.9Å; E383-K385 PolarHBondContact OE1-NZ 3.05Å; E383-K385 WeakPolarHBondContact OE2-CE 3.36Å; E383-K385 IonicContact OE2-NZ 3.21Å; E383-K385 PolarHBondContact OE2-NZ 3.39Å; K385-N420 PolarHBondContact O-N 2.72Å; K385-V467 HydrophobicContact CG-CG1 4.27Å; K385-N473 HydrophobicContact CG-CB 4.05Å; K385-T474 PolarHBondContact N-O 2.97Å
386	D	98.7	Very high	97.4	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	136.8	-177.5	-53.3	-92.7	0	0	0	110.2	L388 N420 Y422 W462 R464 N466 I475 V476	D386-L388 HydrophobicContact CB-CD1 3.87Å; D386-N420 CarbonylContact C-O 3.59Å; D386-N420 WeakPolarHBondContact CA-O 3.35Å; D386-N420 HydrophobicContact CB-CB 4.46Å; D386-N420 WeakPolarHBondContact OD1-CB 3.42Å; D386-N420 PolarHBondContact OD1-ND2 3.36Å; D386-Y422 HydrophobicContact CB-CE2 4.37Å; D386-Y422 WeakPolarHBondContact OD1-CE2 3.29Å; D386-W462 HydrophobicContact CB-CH2 3.86Å; D386-W462 HydrophobicContact CB-CZ2 4.44Å; D386-R464 IonicContact OD2-CZ 3.25Å; D386-R464 VanDerWaalsContact OD2-CZ 3.23Å; D386-R464 IonicContact OD2-NE 3.21Å; D386-R464 PolarHBondContact OD2-NE 2.83Å; D386-R464 VanDerWaalsContact OD2-NE 3.14Å; D386-R464 IonicContact OD2-NH2 2.74Å; D386-R464 PolarHBondContact OD2-NH2 2.77Å; D386-N466 VanDerWaalsContact CG-ND2 3.29Å; D386-N466 PolarHBondContact OD1-ND2 3.19Å; D386-N466 PolarHBondContact OD2-ND2 3.09Å; D386-I475 HydrophobicContact CB-CG2 4.01Å; D386-I475 WeakPolarHBondContact O-CA 3.43Å; D386-V476 PolarHBondContact O-N 3.38Å; D386-V476 VanDerWaalsContact O-N 3.09Å
387	A	98.7	Very high	97.4	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	123.6	173.5	0	0	0	0	0	108.5	N420 F421 Y422 V476 V503	A387-N420 PolarHBondContact N-O 3.44Å; A387-F421 HydrophobicContact CB-CD2 3.81Å; A387-F421 HydrophobicContact CB-CE2 4.38Å; A387-F421 WeakPolarHBondContact O-CA 3.32Å; A387-Y422 PolarHBondContact O-N 3.2Å; A387-V476 CarbonylContact C-O 3.46Å; A387-V476 VanDerWaalsContact CA-O 3.3Å; A387-V476 WeakPolarHBondContact CA-O 3.48Å; A387-V476 HydrophobicContact CB-CG2 3.8Å; A387-V503 HydrophobicContact CB-CG1 3.98Å
388	L	98.8	Very high	97.5	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.005	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	115	-171.2	-56.7	94.9	0	0	0	111	D386 Y422 P457 W462 I475 V476 T477 S478 Y479	D386-L388 HydrophobicContact CB-CD1 3.87Å; L388-Y422 HydrophobicContact CD2-CD2 4.08Å; L388-Y422 HydrophobicContact CD2-CG 4.47Å; L388-Y422 HydrophobicContact CG-CD2 4.02Å; L388-P457 HydrophobicContact CD2-CB 3.64Å; L388-P457 HydrophobicContact CD2-CG 3.78Å; L388-W462 HydrophobicContact CD1-CH2 4.38Å; L388-W462 HydrophobicContact CD2-CH2 4.25Å; L388-W462 HydrophobicContact CD2-CZ3 4.26Å; L388-I475 HydrophobicContact CD1-CB 4.44Å; L388-V476 PolarHBondContact N-O 2.76Å; L388-T477 HydrophobicContact CB-CG2 4.13Å; L388-T477 HydrophobicContact CD1-CG2 3.82Å; L388-T477 CarbonylContact O-C 3.59Å; L388-T477 WeakPolarHBondContact O-CA 3.33Å; L388-S478 PolarHBondContact O-N 2.87Å; L388-Y479 HydrophobicContact CB-CE1 4.4Å; L388-Y479 HydrophobicContact CB-CE2 4.24Å; L388-Y479 HydrophobicContact CD2-CE2 4.44Å
389	I	98.8	Very high	97.5	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	158.7	174.6	67.2	163.8	0	0	0	112	M400 A403 F421 Y422 V423 T424 F443 S478 P500 V503	I389-M400 HydrophobicContact CD1-SD 4.06Å; I389-A403 HydrophobicContact CD1-CB 3.77Å; I389-F421 HydrophobicContact CB-CZ 4.45Å; I389-F421 HydrophobicContact CD1-CE1 4.12Å; I389-F421 HydrophobicContact CD1-CZ 3.65Å; I389-F421 HydrophobicContact CG1-CE1 4.2Å; I389-F421 HydrophobicContact CG1-CE2 4.41Å; I389-F421 HydrophobicContact CG1-CZ 3.7Å; I389-F421 HydrophobicContact CG2-CE2 3.93Å; I389-F421 HydrophobicContact CG2-CZ 3.92Å; I389-Y422 PolarHBondContact N-O 3.27Å; I389-V423 HydrophobicContact CD1-CG1 4.06Å; I389-V423 HydrophobicContact CD1-CG2 4Å; I389-V423 HydrophobicContact CG1-CB 4.17Å; I389-V423 HydrophobicContact CG1-CG1 4.05Å; I389-V423 HydrophobicContact CG1-CG2 3.85Å; I389-T424 PolarHBondContact O-N 3.04Å; I389-F443 HydrophobicContact CD1-CE1 4.09Å; I389-F443 HydrophobicContact CD1-CE2 4.38Å; I389-F443 HydrophobicContact CD1-CZ 3.85Å; I389-S478 VanDerWaalsContact CA-OG 3.26Å; I389-S478 WeakPolarHBondContact CA-OG 3.46Å; I389-P500 HydrophobicContact CB-CB 4Å; I389-P500 HydrophobicContact CG2-CB 3.93Å; I389-P500 WeakPolarHBondContact CG2-O 3.43Å; I389-V503 HydrophobicContact CG2-CB 3.77Å; I389-V503 HydrophobicContact CG2-CG1 3.39Å
390	G	97.9	Very high	97.6	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	104.5	-139.2	179.7	0	0	0	0	0	114	N394 T424 S478	G390-N394 WeakPolarHBondContact CA-O 3.45Å; G390-N394 PolarHBondContact N-O 3.37Å; G390-T424 WeakPolarHBondContact CA-O 3.21Å; G390-S478 PolarHBondContact N-OG 3.44Å; G390-S478 PolarHBondContact O-OG 3.24Å
391	S	93.8	Very high	97.7	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.007	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.3	-177.6	-166.7	85.3	0	0	0	0	113.4	T393 S395 T424 Y479	S391-T393 PolarHBondContact O-N 3.35Å; S391-T393 VanDerWaalsContact O-N 3.15Å; S391-S395 WeakPolarHBondContact O-CB 3.45Å; S391-S395 PolarHBondContact O-OG 3.1Å; S391-T424 PolarHBondContact N-O 3.28Å; S391-Y479 VanDerWaalsContact CB-CD1 3.47Å; S391-Y479 WeakPolarHBondContact OG-CD1 3.41Å
392	C	90.9	Very high	97.7	Very high	8 Å²	8	16 Å²	16	5%	0.054	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-23.3	-178.3	56	0	0	0	0	115.2	I179 H181 N292	I179-C392 HydrophobicContact CB-CB 4.46Å; I179-C392 HydrophobicContact CG2-CB 3.66Å; H181-C392 HydrophobicContact CB-CB 3.94Å; N292-C392 PolarHBondContact ND2-SG 2.88Å
393	T	96.3	Very high	97.8	Very high	2 Å²	2	13.6 Å²	13.6	1%	0.012	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-43.4	-173.5	-48.5	0	0	0	0	112.4	T289 N292 M293 S391 N480	T289-T393 HydrophobicContact CG2-CG2 4.06Å; T289-T393 PolarHBondContact OG1-O 2.72Å; N292-T393 HydrophobicContact CB-CG2 4.48Å; N292-T393 PolarHBondContact OD1-OG1 3.41Å; N292-T393 VanDerWaalsContact OD1-OG1 3.09Å; M293-T393 HydrophobicContact CG-CG2 3.92Å; M293-T393 HydrophobicContact SD-CG2 4.09Å; S391-T393 PolarHBondContact O-N 3.35Å; S391-T393 VanDerWaalsContact O-N 3.15Å; T393-N480 HydrophobicContact CG2-CB 4.44Å; T393-N480 PolarHBondContact OG1-ND2 2.71Å
394	N	97.8	Very high	97.7	Very high	2 Å²	2	8.4 Å²	8.4	1%	0.011	4%	0.039	C	C	.	.	B	Isolated β-bridge	trans	-141	63.9	-173.1	-74.2	113.4	0	0	0	111.4	K252 T289 G390 D399 S478 P500	K252-N394 PolarHBondContact NZ-OD1 3.43Å; T289-N394 VanDerWaalsContact CG2-ND2 3.35Å; T289-N394 WeakPolarHBondContact CG2-ND2 3.41Å; T289-N394 PolarHBondContact OG1-ND2 2.86Å; G390-N394 WeakPolarHBondContact CA-O 3.45Å; G390-N394 PolarHBondContact N-O 3.37Å; N394-D399 VanDerWaalsContact C-CG 3.49Å; N394-D399 VanDerWaalsContact C-OD2 3.25Å; N394-D399 WeakPolarHBondContact CA-OD2 3.18Å; N394-D399 PolarHBondContact ND2-OD1 3.38Å; N394-S478 PolarHBondContact OD1-O 3.1Å; N394-P500 HydrophobicContact CB-CG 4.04Å
395	S	97.3	Very high	97.7	Very high	0 Å²	0	9 Å²	9	0%	0	4%	0.044	C	C	.	.			trans	-131	18.8	177.7	62.5	0	0	0	0	114.6	S391 D399 T424 G426 I430	S391-S395 WeakPolarHBondContact O-CB 3.45Å; S391-S395 PolarHBondContact O-OG 3.1Å; S395-D399 PolarHBondContact N-OD2 2.81Å; S395-T424 WeakPolarHBondContact CB-O 3.38Å; S395-G426 WeakPolarHBondContact OG-CA 3.02Å; S395-G426 PolarHBondContact OG-N 3.35Å; S395-I430 WeakPolarHBondContact O-CG2 3.39Å
396	S	98.2	Very high	97.7	Very high	2 Å²	2	6.5 Å²	6.5	1%	0.014	3%	0.033	C	C	.	.	S	Bend	trans	-67	169	173.7	69.7	0	0	0	0	112.3	E398 D399 M400	S396-E398 PolarHBondContact O-N 2.99Å; S396-E398 PolarHBondContact OG-N 2.67Å; S396-D399 VanDerWaalsContact CB-OD2 3.3Å; S396-D399 WeakPolarHBondContact CB-OD2 3.44Å; S396-D399 PolarHBondContact N-OD2 3.41Å; S396-D399 PolarHBondContact O-N 3.06Å; S396-D399 VanDerWaalsContact OG-CG 3.22Å; S396-D399 PolarHBondContact OG-N 2.97Å; S396-D399 VanDerWaalsContact OG-N 3.16Å; S396-D399 PolarHBondContact OG-OD2 2.97Å; S396-M400 WeakPolarHBondContact O-CB 3.17Å; S396-M400 WeakPolarHBondContact O-CG 3.31Å; S396-M400 PolarHBondContact O-N 3.32Å
397	Y	98.6	Very high	97.7	Very high	14 Å²	14	6.5 Å²	6.5	6%	0.055	3%	0.033	C	C	.	.	H	α-helix	trans	-59	-36.6	172.5	-176	-99.1	0	0	0	111.9	T401 T433 L434 D437 V439 F537 P540	Y397-T401 HydrophobicContact CD1-CG2 4.16Å; Y397-T401 HydrophobicContact CD2-CG2 4.41Å; Y397-T401 HydrophobicContact CE1-CG2 3.8Å; Y397-T401 HydrophobicContact CE2-CG2 4.03Å; Y397-T401 HydrophobicContact CG-CG2 4.44Å; Y397-T401 WeakPolarHBondContact O-CB 3.05Å; Y397-T401 VanDerWaalsContact O-CG2 3.25Å; Y397-T401 WeakPolarHBondContact O-CG2 3.45Å; Y397-T401 PolarHBondContact O-N 3.38Å; Y397-T401 PolarHBondContact O-OG1 2.85Å; Y397-T433 HydrophobicContact CD2-CG2 3.88Å; Y397-T433 HydrophobicContact CE2-CG2 3.94Å; Y397-L434 HydrophobicContact CD2-CD2 3.71Å; Y397-L434 HydrophobicContact CE2-CD2 4.13Å; Y397-D437 HydrophobicContact CE2-CB 4.45Å; Y397-D437 PolarHBondContact OH-OD2 3.45Å; Y397-V439 HydrophobicContact CE2-CG2 4.47Å; Y397-F537 HydrophobicContact CD1-CB 4.27Å; Y397-F537 WeakPolarHBondContact CD1-O 3.46Å; Y397-F537 HydrophobicContact CE1-CB 3.64Å; Y397-P540 HydrophobicContact CD1-CB 4.33Å; Y397-P540 HydrophobicContact CD2-CB 4.36Å; Y397-P540 HydrophobicContact CE1-CB 4Å; Y397-P540 HydrophobicContact CE2-CB 4.08Å; Y397-P540 HydrophobicContact CG-CB 4.5Å
398	E	98.4	Very high	97.7	Very high	31 Å²	31	10.1 Å²	10.1	15%	0.145	5%	0.05	C	C	.	.	H	α-helix	trans	-64.1	-51	174.8	-176.4	-178.9	-163.1	0	0	112	S283 T285 S396 M400 T401 R402 F537	S283-E398 WeakPolarHBondContact CB-OE2 3.07Å; S283-E398 PolarHBondContact OG-OE2 3.08Å; T285-E398 PolarHBondContact OG1-OE2 2.7Å; S396-E398 PolarHBondContact O-N 2.99Å; S396-E398 PolarHBondContact OG-N 2.67Å; E398-M400 VanDerWaalsContact C-N 3.26Å; E398-M400 PolarHBondContact O-N 2.79Å; E398-T401 PolarHBondContact O-N 3.43Å; E398-T401 PolarHBondContact O-OG1 3.5Å; E398-T401 VanDerWaalsContact O-OG1 3.12Å; E398-R402 WeakPolarHBondContact O-CB 3.31Å; E398-R402 WeakPolarHBondContact O-CG 3.44Å; E398-R402 PolarHBondContact O-N 3.3Å; E398-F537 VanDerWaalsContact CA-O 3.24Å; E398-F537 WeakPolarHBondContact CA-O 3.34Å
399	D	98.6	Very high	97.6	Very high	12 Å²	12	10.6 Å²	10.6	6%	0.064	5%	0.052	C	C	.	.	H	α-helix	trans	-53.5	-47	177.4	-70.1	-60.1	0	0	0	111.2	N394 S395 S396 A403 P500	N394-D399 VanDerWaalsContact C-CG 3.49Å; N394-D399 VanDerWaalsContact C-OD2 3.25Å; N394-D399 WeakPolarHBondContact CA-OD2 3.18Å; N394-D399 PolarHBondContact ND2-OD1 3.38Å; S395-D399 PolarHBondContact N-OD2 2.81Å; S396-D399 VanDerWaalsContact CB-OD2 3.3Å; S396-D399 WeakPolarHBondContact CB-OD2 3.44Å; S396-D399 PolarHBondContact N-OD2 3.41Å; S396-D399 PolarHBondContact O-N 3.06Å; S396-D399 VanDerWaalsContact OG-CG 3.22Å; S396-D399 PolarHBondContact OG-N 2.97Å; S396-D399 VanDerWaalsContact OG-N 3.16Å; S396-D399 PolarHBondContact OG-OD2 2.97Å; D399-A403 WeakPolarHBondContact O-CB 3.32Å; D399-A403 PolarHBondContact O-N 3.31Å; D399-A403 VanDerWaalsContact O-N 3.08Å; D399-P500 HydrophobicContact CB-CG 3.8Å
400	M	98.6	Very high	97.5	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-74	-36.3	-174.4	-67	-75.1	168.7	0	0	111.9	I389 S396 E398 A404 V423 T424 L434 V439 F443	I389-M400 HydrophobicContact CD1-SD 4.06Å; S396-M400 WeakPolarHBondContact O-CB 3.17Å; S396-M400 WeakPolarHBondContact O-CG 3.31Å; S396-M400 PolarHBondContact O-N 3.32Å; E398-M400 VanDerWaalsContact C-N 3.26Å; E398-M400 PolarHBondContact O-N 2.79Å; M400-A404 WeakPolarHBondContact O-CB 2.83Å; M400-A404 PolarHBondContact O-N 2.81Å; M400-V423 HydrophobicContact CE-CG1 4.01Å; M400-V423 HydrophobicContact SD-CG1 3.59Å; M400-V423 VanDerWaalsContact SD-CG1 3.59Å; M400-T424 WeakPolarHBondContact CE-O 3.31Å; M400-L434 HydrophobicContact CB-CD1 3.86Å; M400-L434 HydrophobicContact CB-CD2 3.57Å; M400-L434 HydrophobicContact CB-CG 4.38Å; M400-L434 HydrophobicContact CG-CD1 3.71Å; M400-L434 HydrophobicContact CG-CD2 4.3Å; M400-L434 HydrophobicContact SD-CD1 4.29Å; M400-V439 HydrophobicContact CB-CG1 4.36Å; M400-F443 WeakPolarHBondContact O-CZ 3.48Å; M400-F443 HydrophobicContact SD-CE2 4.37Å
401	T	98.5	Very high	97.5	Very high	10 Å²	10	12.8 Å²	12.8	6%	0.061	6%	0.063	C	C	.	.	H	α-helix	trans	-72.4	-38.1	176.2	52.6	0	0	0	0	112	Y397 E398 A404 S405 V439 F537	Y397-T401 HydrophobicContact CD1-CG2 4.16Å; Y397-T401 HydrophobicContact CD2-CG2 4.41Å; Y397-T401 HydrophobicContact CE1-CG2 3.8Å; Y397-T401 HydrophobicContact CE2-CG2 4.03Å; Y397-T401 HydrophobicContact CG-CG2 4.44Å; Y397-T401 WeakPolarHBondContact O-CB 3.05Å; Y397-T401 VanDerWaalsContact O-CG2 3.25Å; Y397-T401 WeakPolarHBondContact O-CG2 3.45Å; Y397-T401 PolarHBondContact O-N 3.38Å; Y397-T401 PolarHBondContact O-OG1 2.85Å; E398-T401 PolarHBondContact O-N 3.43Å; E398-T401 PolarHBondContact O-OG1 3.5Å; E398-T401 VanDerWaalsContact O-OG1 3.12Å; T401-A404 PolarHBondContact O-N 2.81Å; T401-S405 PolarHBondContact O-N 2.74Å; T401-V439 HydrophobicContact CG2-CG1 4.42Å; T401-V439 HydrophobicContact CG2-CG2 3.92Å; T401-F537 HydrophobicContact CG2-CD2 4.14Å; T401-F537 PolarHBondContact OG1-N 3.37Å
402	R	98.6	Very high	97.6	Very high	37 Å²	37	20.8 Å²	20.8	14%	0.14	9%	0.094	C	C	.	.	H	α-helix	trans	-58.3	-51.1	171.6	-73.3	-179	64.9	84.5	-8	111.4	G247 E398 A404 S405 E501 P534 D535	G247-R402 PolarHBondContact O-NH2 3.3Å; E398-R402 WeakPolarHBondContact O-CB 3.31Å; E398-R402 WeakPolarHBondContact O-CG 3.44Å; E398-R402 PolarHBondContact O-N 3.3Å; R402-A404 VanDerWaalsContact C-N 3.34Å; R402-A404 PolarHBondContact O-N 2.93Å; R402-S405 PolarHBondContact O-N 3.06Å; R402-S405 PolarHBondContact O-OG 3.08Å; R402-E501 IonicContact CZ-OE1 3.99Å; R402-E501 IonicContact NE-OE1 3.83Å; R402-E501 PolarHBondContact NE-OE1 2.96Å; R402-E501 IonicContact NE-OE2 2.71Å; R402-E501 IonicContact NH2-OE1 2.94Å; R402-E501 PolarHBondContact NH2-OE1 3.2Å; R402-P534 HydrophobicContact CB-CB 4.11Å; R402-P534 PolarHBondContact NH1-O 2.64Å; R402-P534 VanDerWaalsContact NH2-CG 3.27Å; R402-P534 WeakPolarHBondContact O-CB 3.14Å; R402-D535 WeakPolarHBondContact CA-O 3.42Å
403	A	98.6	Very high	97.9	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-60.8	-41.1	175.2	0	0	0	0	0	112.5	I389 D399 S405 I406 A407 F443 P500 T504	I389-A403 HydrophobicContact CD1-CB 3.77Å; D399-A403 WeakPolarHBondContact O-CB 3.32Å; D399-A403 PolarHBondContact O-N 3.31Å; D399-A403 VanDerWaalsContact O-N 3.08Å; A403-S405 VanDerWaalsContact C-N 3.29Å; A403-S405 PolarHBondContact O-N 2.9Å; A403-I406 WeakPolarHBondContact O-CB 3.15Å; A403-I406 PolarHBondContact O-N 2.93Å; A403-A407 PolarHBondContact O-N 3.47Å; A403-A407 VanDerWaalsContact O-N 3.13Å; A403-F443 HydrophobicContact CB-CE1 3.9Å; A403-F443 HydrophobicContact CB-CZ 3.74Å; A403-P500 HydrophobicContact CB-CB 4.29Å; A403-T504 WeakPolarHBondContact CB-OG1 3.12Å
404	A	98.5	Very high	97.8	Very high	2 Å²	2	25.1 Å²	25.1	2%	0.017	12%	0.124	C	C	.	.	H	α-helix	trans	-67.6	-28.6	179.7	0	0	0	0	0	113	M400 T401 R402 I406 A407 E408 V439 K442 F443	M400-A404 WeakPolarHBondContact O-CB 2.83Å; M400-A404 PolarHBondContact O-N 2.81Å; T401-A404 PolarHBondContact O-N 2.81Å; R402-A404 VanDerWaalsContact C-N 3.34Å; R402-A404 PolarHBondContact O-N 2.93Å; A404-I406 VanDerWaalsContact C-N 3.28Å; A404-I406 PolarHBondContact O-N 2.76Å; A404-A407 PolarHBondContact O-N 3.47Å; A404-E408 WeakPolarHBondContact O-CB 3.41Å; A404-E408 PolarHBondContact O-N 3.16Å; A404-V439 HydrophobicContact CB-CG1 3.57Å; A404-K442 HydrophobicContact CB-CB 4.36Å; A404-K442 HydrophobicContact CB-CD 4.04Å; A404-F443 HydrophobicContact CB-CE1 4.05Å; A404-F443 HydrophobicContact CB-CE2 4.13Å; A404-F443 HydrophobicContact CB-CZ 3.67Å
405	S	98.4	Very high	97.7	Very high	15 Å²	15	25.8 Å²	25.8	11%	0.105	13%	0.129	C	C	.	.	H	α-helix	trans	-63	-36.9	173.4	81.1	0	0	0	0	111.8	T401 R402 A403 E408 Q409 P534 D535	T401-S405 PolarHBondContact O-N 2.74Å; R402-S405 PolarHBondContact O-N 3.06Å; R402-S405 PolarHBondContact O-OG 3.08Å; A403-S405 VanDerWaalsContact C-N 3.29Å; A403-S405 PolarHBondContact O-N 2.9Å; S405-E408 PolarHBondContact O-N 3.28Å; S405-Q409 VanDerWaalsContact O-CG 3.3Å; S405-Q409 WeakPolarHBondContact O-CG 3.12Å; S405-Q409 PolarHBondContact O-N 3.11Å; S405-P534 VanDerWaalsContact OG-CA 3.24Å; S405-P534 WeakPolarHBondContact OG-CA 3.2Å; S405-P534 WeakPolarHBondContact OG-CB 3.45Å; S405-D535 WeakPolarHBondContact CB-O 3.32Å; S405-D535 PolarHBondContact OG-N 3.19Å; S405-D535 VanDerWaalsContact OG-N 3.14Å; S405-D535 PolarHBondContact OG-O 3.33Å
406	I	98.6	Very high	97.7	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-69.3	-44.1	174.9	-57.5	-50.2	0	0	0	110.4	W248 A403 A404 E408 Q409 A410 E501 T504 A505 L508 L531 P534	W248-I406 HydrophobicContact CH2-CD1 3.46Å; W248-I406 VanDerWaalsContact CH2-CD1 3.46Å; W248-I406 HydrophobicContact CH2-CG1 4.14Å; W248-I406 HydrophobicContact CZ2-CD1 4.17Å; W248-I406 HydrophobicContact CZ3-CD1 3.97Å; W248-I406 HydrophobicContact CZ3-CG1 4.28Å; A403-I406 WeakPolarHBondContact O-CB 3.15Å; A403-I406 PolarHBondContact O-N 2.93Å; A404-I406 VanDerWaalsContact C-N 3.28Å; A404-I406 PolarHBondContact O-N 2.76Å; I406-E408 VanDerWaalsContact C-N 3.29Å; I406-E408 PolarHBondContact O-N 2.72Å; I406-Q409 WeakPolarHBondContact O-CB 3.38Å; I406-Q409 PolarHBondContact O-N 3.16Å; I406-A410 PolarHBondContact O-N 2.79Å; I406-A410 VanDerWaalsContact O-N 3.1Å; I406-E501 HydrophobicContact CG1-CB 4.33Å; I406-T504 HydrophobicContact CB-CG2 4.06Å; I406-T504 HydrophobicContact CG2-CG2 3.98Å; I406-A505 HydrophobicContact CG2-CB 4.28Å; I406-L508 HydrophobicContact CG2-CD1 3.72Å; I406-L531 HydrophobicContact CG2-CD1 3.93Å; I406-L531 HydrophobicContact CG2-CD2 4.17Å; I406-P534 HydrophobicContact CD1-CB 3.78Å; I406-P534 HydrophobicContact CD1-CG 4.5Å; I406-P534 HydrophobicContact CG1-CB 4.05Å
407	A	98.3	Very high	97.7	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-58.1	-41.4	175.1	0	0	0	0	0	112.1	A403 A404 A410 D411 F443 I446	A403-A407 PolarHBondContact O-N 3.47Å; A403-A407 VanDerWaalsContact O-N 3.13Å; A404-A407 PolarHBondContact O-N 3.47Å; A407-A410 WeakPolarHBondContact O-CB 3.46Å; A407-A410 PolarHBondContact O-N 3.37Å; A407-D411 WeakPolarHBondContact O-CB 3.18Å; A407-D411 PolarHBondContact O-N 3.23Å; A407-F443 HydrophobicContact CB-CD1 3.9Å; A407-F443 HydrophobicContact CB-CE1 4.15Å; A407-I446 HydrophobicContact CB-CD1 3.54Å; A407-I446 HydrophobicContact CB-CG1 4.25Å
408	E	97.8	Very high	97.6	Very high	75 Å²	75	40.5 Å²	40.5	35%	0.35	19%	0.192	S	C	.	.	H	α-helix	trans	-69.3	-34.9	177.8	-179.7	168.4	-133.4	0	0	113.2	A404 S405 I406 A410 D411 R412 K442	A404-E408 WeakPolarHBondContact O-CB 3.41Å; A404-E408 PolarHBondContact O-N 3.16Å; S405-E408 PolarHBondContact O-N 3.28Å; I406-E408 VanDerWaalsContact C-N 3.29Å; I406-E408 PolarHBondContact O-N 2.72Å; E408-A410 VanDerWaalsContact C-N 3.32Å; E408-D411 PolarHBondContact O-N 3.15Å; E408-R412 WeakPolarHBondContact O-CG 2.93Å; E408-R412 PolarHBondContact O-N 3.08Å; E408-R412 VanDerWaalsContact O-N 3.08Å; E408-R412 PolarHBondContact O-NE 3.38Å; E408-K442 HydrophobicContact CB-CD 4.34Å; E408-K442 WeakPolarHBondContact OE1-CE 3.43Å; E408-K442 IonicContact OE1-NZ 3.49Å; E408-K442 PolarHBondContact OE1-NZ 3.44Å; E408-K442 IonicContact OE2-NZ 3.4Å; E408-K442 PolarHBondContact OE2-NZ 2.91Å
409	Q	97.6	Very high	97.6	Very high	11 Å²	11	39.3 Å²	39.3	5%	0.051	19%	0.188	C	C	.	.	H	α-helix	trans	-60.9	-43.1	170.3	-70.9	172.9	48.8	0	0	111.4	S405 I406 H413 L531 I532	S405-Q409 VanDerWaalsContact O-CG 3.3Å; S405-Q409 WeakPolarHBondContact O-CG 3.12Å; S405-Q409 PolarHBondContact O-N 3.11Å; I406-Q409 WeakPolarHBondContact O-CB 3.38Å; I406-Q409 PolarHBondContact O-N 3.16Å; Q409-H413 PolarHBondContact O-ND1 3.34Å; Q409-L531 HydrophobicContact CB-CD2 3.96Å; Q409-I532 VanDerWaalsContact CD-CG1 3.43Å; Q409-I532 HydrophobicContact CG-CG1 4.37Å; Q409-I532 VanDerWaalsContact NE2-CG1 3.34Å; Q409-I532 PolarHBondContact NE2-O 3.42Å; Q409-I532 VanDerWaalsContact NE2-O 3.11Å; Q409-I532 PolarHBondContact OE1-O 3.43Å
410	A	97.2	Very high	97.6	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-66.4	-44.3	177	0	0	0	0	0	112.3	I406 A407 E408 R412 H413 G414 C415 I446 L508	I406-A410 PolarHBondContact O-N 2.79Å; I406-A410 VanDerWaalsContact O-N 3.1Å; A407-A410 WeakPolarHBondContact O-CB 3.46Å; A407-A410 PolarHBondContact O-N 3.37Å; E408-A410 VanDerWaalsContact C-N 3.32Å; A410-R412 VanDerWaalsContact C-N 3.32Å; A410-R412 PolarHBondContact O-N 2.89Å; A410-H413 CarbonylContact O-C 3.52Å; A410-H413 PolarHBondContact O-N 2.98Å; A410-G414 PolarHBondContact O-N 2.9Å; A410-C415 HydrophobicContact CB-CB 3.88Å; A410-C415 WeakPolarHBondContact O-CB 3.49Å; A410-C415 PolarHBondContact O-N 3.36Å; A410-I446 HydrophobicContact CB-CD1 4.43Å; A410-L508 HydrophobicContact CB-CD1 3.67Å; A410-L508 HydrophobicContact CB-CD2 3.53Å; A410-L508 HydrophobicContact CB-CG 4.25Å
411	D	96.8	Very high	97.6	Very high	46 Å²	46	42.2 Å²	42.2	25%	0.246	20%	0.203	C	C	.	.	H	α-helix	trans	-57.9	-41.8	177.4	-179.3	57.7	0	0	0	112.3	A407 E408 H413 G414 K445 I446	A407-D411 WeakPolarHBondContact O-CB 3.18Å; A407-D411 PolarHBondContact O-N 3.23Å; E408-D411 PolarHBondContact O-N 3.15Å; D411-H413 PolarHBondContact O-N 3.07Å; D411-H413 VanDerWaalsContact O-N 3.12Å; D411-G414 PolarHBondContact O-N 3.06Å; D411-K445 VanDerWaalsContact OD1-CD 3.27Å; D411-K445 WeakPolarHBondContact OD1-CD 3.37Å; D411-K445 WeakPolarHBondContact OD1-CE 3.43Å; D411-K445 IonicContact OD1-NZ 2.78Å; D411-K445 PolarHBondContact OD1-NZ 3.13Å; D411-K445 WeakPolarHBondContact OD2-CD 3.4Å; D411-K445 WeakPolarHBondContact OD2-CE 3.42Å; D411-K445 IonicContact OD2-NZ 2.96Å; D411-K445 PolarHBondContact OD2-NZ 2.99Å; D411-I446 HydrophobicContact CB-CG2 3.65Å
412	R	96.3	Very high	97.6	Very high	170 Å²	170	43.4 Å²	43.4	64%	0.642	21%	0.207	S	C	*	.	H	α-helix	trans	-58.4	-24.7	175.5	-78.5	-175.3	-75.4	176.7	-5.3	113.9	E408 A410	E408-R412 WeakPolarHBondContact O-CG 2.93Å; E408-R412 PolarHBondContact O-N 3.08Å; E408-R412 VanDerWaalsContact O-N 3.08Å; E408-R412 PolarHBondContact O-NE 3.38Å; A410-R412 VanDerWaalsContact C-N 3.32Å; A410-R412 PolarHBondContact O-N 2.89Å
413	H	96.2	Very high	97.6	Very high	59 Å²	59	41.7 Å²	41.7	27%	0.273	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	11.5	176.8	-60.2	85.4	0	0	0	112.3	Q409 A410 D411 C415 S523 S524 F529	Q409-H413 PolarHBondContact O-ND1 3.34Å; A410-H413 CarbonylContact O-C 3.52Å; A410-H413 PolarHBondContact O-N 2.98Å; D411-H413 PolarHBondContact O-N 3.07Å; D411-H413 VanDerWaalsContact O-N 3.12Å; H413-C415 PolarHBondContact O-N 2.84Å; H413-S523 VanDerWaalsContact O-CB 3.26Å; H413-S523 WeakPolarHBondContact O-CB 3.17Å; H413-S524 PolarHBondContact O-N 3.31Å; H413-F529 HydrophobicContact CB-CD1 3.85Å; H413-F529 HydrophobicContact CB-CE1 3.55Å; H413-F529 HydrophobicContact CB-CE2 4.31Å; H413-F529 HydrophobicContact CB-CG 4.36Å; H413-F529 HydrophobicContact CB-CZ 3.8Å; H413-F529 AromaticContact CD2-CD1 3.78Å; H413-F529 AromaticContact CD2-CG 3.63Å; H413-F529 AromaticContact CE1-CD2 3.69Å; H413-F529 AromaticContact CE1-CG 3.94Å; H413-F529 AromaticContact CG-CD1 3.71Å; H413-F529 AromaticContact CG-CD2 3.88Å; H413-F529 AromaticContact CG-CE1 3.84Å; H413-F529 AromaticContact CG-CE2 3.99Å; H413-F529 AromaticContact CG-CG 3.73Å; H413-F529 AromaticContact CG-CZ 3.97Å; H413-F529 AromaticContact ND1-CD2 3.61Å; H413-F529 AromaticContact ND1-CE2 3.68Å; H413-F529 AromaticContact ND1-CG 3.93Å; H413-F529 AromaticContact NE2-CD2 3.99Å; H413-F529 AromaticContact NE2-CG 3.78Å
414	G	95.5	Very high	97.6	Very high	41 Å²	41	41.7 Å²	41.7	42%	0.423	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	63	26.3	-178.9	0	0	0	0	0	113.7	A410 D411	A410-G414 PolarHBondContact O-N 2.9Å; D411-G414 PolarHBondContact O-N 3.06Å
415	C	95.7	Very high	97.6	Very high	17 Å²	17	41.6 Å²	41.6	12%	0.115	20%	0.2	C	C	.	.			trans	-85.2	146.3	175.3	-74.2	0	0	0	0	111.1	A410 H413 I446 T522 F529	A410-C415 HydrophobicContact CB-CB 3.88Å; A410-C415 WeakPolarHBondContact O-CB 3.49Å; A410-C415 PolarHBondContact O-N 3.36Å; H413-C415 PolarHBondContact O-N 2.84Å; C415-I446 WeakPolarHBondContact O-CG2 3.1Å; C415-T522 PolarHBondContact SG-O 2.83Å; C415-F529 HydrophobicContact CB-CZ 4.47Å; C415-F529 VanDerWaalsContact SG-CE1 3.53Å
416	K	96.5	Very high	97.6	Very high	147 Å²	147	40.9 Å²	40.9	64%	0.639	20%	0.195	S	C	*	.			trans	-119.5	163.6	170.2	-65.8	-170.9	177	-172.9	0	109.9	K418	K416-K418 PolarHBondContact O-N 3.28Å
417	F	97.8	Very high	97.6	Very high	24 Å²	24	41 Å²	41	11%	0.105	20%	0.195	C	C	.	.			trans	-59.1	136.4	170.9	-68.1	-71.2	0	0	0	110.9	S419 F421 I446 T504 L508	F417-S419 VanDerWaalsContact CB-O 3.3Å; F417-S419 WeakPolarHBondContact CB-O 3.31Å; F417-F421 HydrophobicContact CB-CB 4.13Å; F417-F421 HydrophobicContact CD1-CB 3.92Å; F417-F421 AromaticContact CD1-CD2 3.95Å; F417-F421 HydrophobicContact CD1-CD2 3.95Å; F417-F421 AromaticContact CD1-CG 3.92Å; F417-F421 HydrophobicContact CD1-CG 3.92Å; F417-F421 HydrophobicContact CD2-CB 3.51Å; F417-F421 AromaticContact CD2-CD1 3.96Å; F417-F421 HydrophobicContact CD2-CD1 3.96Å; F417-F421 AromaticContact CD2-CG 3.79Å; F417-F421 HydrophobicContact CD2-CG 3.79Å; F417-F421 HydrophobicContact CE1-CB 4.16Å; F417-F421 HydrophobicContact CE1-CD1 4.04Å; F417-F421 AromaticContact CE1-CD2 3.54Å; F417-F421 HydrophobicContact CE1-CD2 3.54Å; F417-F421 HydrophobicContact CE1-CE1 4.26Å; F417-F421 AromaticContact CE1-CE2 3.83Å; F417-F421 HydrophobicContact CE1-CE2 3.83Å; F417-F421 AromaticContact CE1-CG 3.64Å; F417-F421 HydrophobicContact CE1-CG 3.64Å; F417-F421 HydrophobicContact CE1-CZ 4.16Å; F417-F421 HydrophobicContact CE2-CB 3.77Å; F417-F421 AromaticContact CE2-CD1 3.26Å; F417-F421 HydrophobicContact CE2-CD1 3.26Å; F417-F421 HydrophobicContact CE2-CD2 4.25Å; F417-F421 AromaticContact CE2-CE1 3.82Å; F417-F421 HydrophobicContact CE2-CE1 3.82Å; F417-F421 AromaticContact CE2-CG 3.5Å; F417-F421 HydrophobicContact CE2-CG 3.5Å; F417-F421 VanDerWaalsContact CE2-CG 3.5Å; F417-F421 HydrophobicContact CG-CB 3.59Å; F417-F421 HydrophobicContact CG-CD2 4.47Å; F417-F421 AromaticContact CG-CG 4Å; F417-F421 HydrophobicContact CG-CG 4Å; F417-F421 HydrophobicContact CZ-CB 4.1Å; F417-F421 AromaticContact CZ-CD1 3.32Å; F417-F421 HydrophobicContact CZ-CD1 3.32Å; F417-F421 AromaticContact CZ-CD2 3.72Å; F417-F421 HydrophobicContact CZ-CD2 3.72Å; F417-F421 AromaticContact CZ-CE1 3.48Å; F417-F421 HydrophobicContact CZ-CE1 3.48Å; F417-F421 VanDerWaalsContact CZ-CE1 3.48Å; F417-F421 AromaticContact CZ-CE2 3.89Å; F417-F421 HydrophobicContact CZ-CE2 3.89Å; F417-F421 AromaticContact CZ-CG 3.43Å; F417-F421 HydrophobicContact CZ-CG 3.43Å; F417-F421 VanDerWaalsContact CZ-CG 3.43Å; F417-F421 AromaticContact CZ-CZ 3.75Å; F417-F421 HydrophobicContact CZ-CZ 3.75Å; F417-I446 HydrophobicContact CD2-CD1 3.87Å; F417-I446 HydrophobicContact CD2-CG1 3.9Å; F417-I446 WeakPolarHBondContact CD2-O 3.47Å; F417-I446 HydrophobicContact CE1-CD1 4.26Å; F417-I446 HydrophobicContact CE2-CD1 3.33Å; F417-I446 HydrophobicContact CE2-CG1 3.51Å; F417-I446 HydrophobicContact CZ-CD1 3.55Å; F417-I446 HydrophobicContact CZ-CG1 4.23Å; F417-I446 PolarHBondContact N-O 3.46Å; F417-I446 VanDerWaalsContact N-O 3.12Å; F417-T504 HydrophobicContact CE1-CG2 3.8Å; F417-T504 HydrophobicContact CZ-CG2 3.87Å; F417-L508 HydrophobicContact CD1-CB 4.46Å; F417-L508 HydrophobicContact CD1-CD2 3.76Å; F417-L508 HydrophobicContact CD1-CG 3.76Å; F417-L508 HydrophobicContact CE1-CD2 3.93Å; F417-L508 HydrophobicContact CE1-CG 3.69Å; F417-L508 HydrophobicContact CG-CD2 4.27Å
418	K	97.6	Very high	97.6	Very high	153 Å²	153	41.7 Å²	41.7	67%	0.665	20%	0.199	S	C	*	.	S	Bend	trans	-90.4	-31.5	172.7	-73.1	-179.3	-178.3	179.3	0	111.6	K416 G507 L508 A509	K416-K418 PolarHBondContact O-N 3.28Å; K418-G507 PolarHBondContact N-O 3.09Å; K418-G507 VanDerWaalsContact N-O 3.09Å; K418-L508 WeakPolarHBondContact CG-O 3.36Å; K418-A509 VanDerWaalsContact CD-O 3.3Å; K418-A509 WeakPolarHBondContact CD-O 3.47Å
419	S	98.4	Very high	97.6	Very high	7 Å²	7	39.3 Å²	39.3	5%	0.049	19%	0.188	C	C	.	.	S	Bend	trans	-82.7	158.9	166	-52.6	0	0	0	0	110.3	V384 F417 F421 G507	V384-S419 WeakPolarHBondContact CG1-OG 3.42Å; V384-S419 WeakPolarHBondContact O-CB 3.36Å; V384-S419 PolarHBondContact O-OG 3.46Å; F417-S419 VanDerWaalsContact CB-O 3.3Å; F417-S419 WeakPolarHBondContact CB-O 3.31Å; S419-F421 PolarHBondContact O-N 2.84Å; S419-G507 PolarHBondContact N-O 2.95Å; S419-G507 VanDerWaalsContact N-O 3.12Å
420	N	98.4	Very high	97.6	Very high	69 Å²	69	38.9 Å²	38.9	37%	0.369	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	136.6	160.4	-65.4	-33.1	0	0	0	108.7	K385 D386 A387 Y422 N466	K385-N420 PolarHBondContact O-N 2.72Å; D386-N420 CarbonylContact C-O 3.59Å; D386-N420 WeakPolarHBondContact CA-O 3.35Å; D386-N420 HydrophobicContact CB-CB 4.46Å; D386-N420 WeakPolarHBondContact OD1-CB 3.42Å; D386-N420 PolarHBondContact OD1-ND2 3.36Å; A387-N420 PolarHBondContact N-O 3.44Å; N420-Y422 HydrophobicContact CB-CE2 3.72Å; N420-N466 PolarHBondContact ND2-ND2 3.4Å
421	F	98.6	Very high	97.7	Very high	3 Å²	3	42.3 Å²	42.3	1%	0.013	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	122.3	-176.9	-171.8	-102.7	0	0	0	111.4	A387 I389 F417 S419 V423 F443 G448 V449 T504	A387-F421 HydrophobicContact CB-CD2 3.81Å; A387-F421 HydrophobicContact CB-CE2 4.38Å; A387-F421 WeakPolarHBondContact O-CA 3.32Å; I389-F421 HydrophobicContact CB-CZ 4.45Å; I389-F421 HydrophobicContact CD1-CE1 4.12Å; I389-F421 HydrophobicContact CD1-CZ 3.65Å; I389-F421 HydrophobicContact CG1-CE1 4.2Å; I389-F421 HydrophobicContact CG1-CE2 4.41Å; I389-F421 HydrophobicContact CG1-CZ 3.7Å; I389-F421 HydrophobicContact CG2-CE2 3.93Å; I389-F421 HydrophobicContact CG2-CZ 3.92Å; F417-F421 HydrophobicContact CB-CB 4.13Å; F417-F421 HydrophobicContact CD1-CB 3.92Å; F417-F421 AromaticContact CD1-CD2 3.95Å; F417-F421 HydrophobicContact CD1-CD2 3.95Å; F417-F421 AromaticContact CD1-CG 3.92Å; F417-F421 HydrophobicContact CD1-CG 3.92Å; F417-F421 HydrophobicContact CD2-CB 3.51Å; F417-F421 AromaticContact CD2-CD1 3.96Å; F417-F421 HydrophobicContact CD2-CD1 3.96Å; F417-F421 AromaticContact CD2-CG 3.79Å; F417-F421 HydrophobicContact CD2-CG 3.79Å; F417-F421 HydrophobicContact CE1-CB 4.16Å; F417-F421 HydrophobicContact CE1-CD1 4.04Å; F417-F421 AromaticContact CE1-CD2 3.54Å; F417-F421 HydrophobicContact CE1-CD2 3.54Å; F417-F421 HydrophobicContact CE1-CE1 4.26Å; F417-F421 AromaticContact CE1-CE2 3.83Å; F417-F421 HydrophobicContact CE1-CE2 3.83Å; F417-F421 AromaticContact CE1-CG 3.64Å; F417-F421 HydrophobicContact CE1-CG 3.64Å; F417-F421 HydrophobicContact CE1-CZ 4.16Å; F417-F421 HydrophobicContact CE2-CB 3.77Å; F417-F421 AromaticContact CE2-CD1 3.26Å; F417-F421 HydrophobicContact CE2-CD1 3.26Å; F417-F421 HydrophobicContact CE2-CD2 4.25Å; F417-F421 AromaticContact CE2-CE1 3.82Å; F417-F421 HydrophobicContact CE2-CE1 3.82Å; F417-F421 AromaticContact CE2-CG 3.5Å; F417-F421 HydrophobicContact CE2-CG 3.5Å; F417-F421 VanDerWaalsContact CE2-CG 3.5Å; F417-F421 HydrophobicContact CG-CB 3.59Å; F417-F421 HydrophobicContact CG-CD2 4.47Å; F417-F421 AromaticContact CG-CG 4Å; F417-F421 HydrophobicContact CG-CG 4Å; F417-F421 HydrophobicContact CZ-CB 4.1Å; F417-F421 AromaticContact CZ-CD1 3.32Å; F417-F421 HydrophobicContact CZ-CD1 3.32Å; F417-F421 AromaticContact CZ-CD2 3.72Å; F417-F421 HydrophobicContact CZ-CD2 3.72Å; F417-F421 AromaticContact CZ-CE1 3.48Å; F417-F421 HydrophobicContact CZ-CE1 3.48Å; F417-F421 VanDerWaalsContact CZ-CE1 3.48Å; F417-F421 AromaticContact CZ-CE2 3.89Å; F417-F421 HydrophobicContact CZ-CE2 3.89Å; F417-F421 AromaticContact CZ-CG 3.43Å; F417-F421 HydrophobicContact CZ-CG 3.43Å; F417-F421 VanDerWaalsContact CZ-CG 3.43Å; F417-F421 AromaticContact CZ-CZ 3.75Å; F417-F421 HydrophobicContact CZ-CZ 3.75Å; S419-F421 PolarHBondContact O-N 2.84Å; F421-V423 HydrophobicContact CD1-CG2 3.89Å; F421-V423 HydrophobicContact CE1-CG2 3.41Å; F421-V423 VanDerWaalsContact CE1-CG2 3.41Å; F421-V423 HydrophobicContact CZ-CG2 4.28Å; F421-F443 AromaticContact CE1-CD1 3.72Å; F421-F443 HydrophobicContact CE1-CD1 3.72Å; F421-F443 HydrophobicContact CE1-CE1 4.18Å; F421-F443 HydrophobicContact CE1-CG 4.27Å; F421-F443 HydrophobicContact CZ-CD1 4.38Å; F421-F443 HydrophobicContact CZ-CE1 4.43Å; F421-G448 WeakPolarHBondContact O-CA 3.3Å; F421-V449 PolarHBondContact O-N 2.91Å; F421-T504 HydrophobicContact CE2-CG2 4.31Å; F421-T504 HydrophobicContact CZ-CG2 4.08Å; F421-T504 WeakPolarHBondContact CZ-OG1 3.42Å
422	Y	98.6	Very high	97.8	Very high	36 Å²	36	40.5 Å²	40.5	14%	0.141	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	140.8	-178.4	-59	-84.1	0	0	0	111.3	D386 A387 L388 I389 N420 V449 L451 W462	D386-Y422 HydrophobicContact CB-CE2 4.37Å; D386-Y422 WeakPolarHBondContact OD1-CE2 3.29Å; A387-Y422 PolarHBondContact O-N 3.2Å; L388-Y422 HydrophobicContact CD2-CD2 4.08Å; L388-Y422 HydrophobicContact CD2-CG 4.47Å; L388-Y422 HydrophobicContact CG-CD2 4.02Å; I389-Y422 PolarHBondContact N-O 3.27Å; N420-Y422 HydrophobicContact CB-CE2 3.72Å; Y422-V449 CarbonylContact C-O 3.35Å; Y422-V449 WeakPolarHBondContact CA-O 3.23Å; Y422-V449 HydrophobicContact CD1-CB 3.92Å; Y422-V449 HydrophobicContact CD1-CG1 4.21Å; Y422-V449 HydrophobicContact CE1-CB 4.25Å; Y422-V449 HydrophobicContact CE1-CG1 4.45Å; Y422-L451 HydrophobicContact CD1-CD1 4.18Å; Y422-L451 HydrophobicContact CD1-CD2 3.91Å; Y422-L451 HydrophobicContact CD1-CG 4.17Å; Y422-L451 HydrophobicContact CG-CD1 4.31Å; Y422-W462 HydrophobicContact CD2-CZ2 4.5Å; Y422-W462 AromaticContact CE2-CZ2 3.86Å; Y422-W462 HydrophobicContact CE2-CZ2 3.86Å
423	V	98.6	Very high	97.9	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	121.3	-178.9	-174.7	0	0	0	0	109.4	I389 M400 F421 F443 V449 V450 L451	I389-V423 HydrophobicContact CD1-CG1 4.06Å; I389-V423 HydrophobicContact CD1-CG2 4Å; I389-V423 HydrophobicContact CG1-CB 4.17Å; I389-V423 HydrophobicContact CG1-CG1 4.05Å; I389-V423 HydrophobicContact CG1-CG2 3.85Å; M400-V423 HydrophobicContact CE-CG1 4.01Å; M400-V423 HydrophobicContact SD-CG1 3.59Å; M400-V423 VanDerWaalsContact SD-CG1 3.59Å; F421-V423 HydrophobicContact CD1-CG2 3.89Å; F421-V423 HydrophobicContact CE1-CG2 3.41Å; F421-V423 VanDerWaalsContact CE1-CG2 3.41Å; F421-V423 HydrophobicContact CZ-CG2 4.28Å; V423-F443 HydrophobicContact CG1-CD2 4.22Å; V423-F443 HydrophobicContact CG1-CE2 4.26Å; V423-F443 HydrophobicContact CG2-CB 4.14Å; V423-F443 HydrophobicContact CG2-CD1 4.45Å; V423-F443 HydrophobicContact CG2-CD2 3.97Å; V423-F443 HydrophobicContact CG2-CE2 4.49Å; V423-F443 HydrophobicContact CG2-CG 3.95Å; V423-V449 PolarHBondContact N-O 3.37Å; V423-V450 HydrophobicContact CB-CG2 4.41Å; V423-V450 CarbonylContact O-C 3.58Å; V423-V450 WeakPolarHBondContact O-CA 3.29Å; V423-L451 PolarHBondContact O-N 3.41Å
424	T	98.6	Very high	98	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.006	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	105.1	177.1	-63.2	0	0	0	0	110.6	I179 I389 G390 S391 S395 M400 A454	I179-T424 HydrophobicContact CD1-CG2 4.22Å; I389-T424 PolarHBondContact O-N 3.04Å; G390-T424 WeakPolarHBondContact CA-O 3.21Å; S391-T424 PolarHBondContact N-O 3.28Å; S395-T424 WeakPolarHBondContact CB-O 3.38Å; M400-T424 WeakPolarHBondContact CE-O 3.31Å; T424-A454 WeakPolarHBondContact CG2-O 3.32Å
425	P	98.3	Very high	98.1	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	14%	0.142	C	C	.	.			trans	-62.8	144.3	170.2	-16.1	29.7	0	0	0	110.9	I430 R431 V450 N453	P425-I430 HydrophobicContact CB-CG2 4.23Å; P425-R431 HydrophobicContact CB-CB 3.85Å; P425-R431 HydrophobicContact CB-CG 4.4Å; P425-R431 HydrophobicContact CG-CB 4.02Å; P425-R431 HydrophobicContact CG-CG 4.01Å; P425-V450 HydrophobicContact CG-CG1 3.94Å; P425-N453 WeakPolarHBondContact CB-OD1 3.2Å; P425-N453 WeakPolarHBondContact O-CA 3.39Å
426	G	97.7	Very high	98.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	15%	0.153	C	C	.	.	S	Bend	trans	-75.5	-26.5	-178.1	0	0	0	0	0	113.8	G178 I179 Q182 S395	G178-G426 CarbonylContact C-O 3.58Å; G178-G426 WeakPolarHBondContact CA-O 3.1Å; I179-G426 PolarHBondContact N-O 2.99Å; Q182-G426 WeakPolarHBondContact CB-O 3.33Å; S395-G426 WeakPolarHBondContact OG-CA 3.02Å; S395-G426 PolarHBondContact OG-N 3.35Å
427	S	98.5	Very high	98.3	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.014	13%	0.132	C	C	.	.	B	Isolated β-bridge	trans	-152.6	167.1	180	72.2	0	0	0	0	112.3	S177 E186 Q429 I430 R431	S177-S427 CarbonylContact O-C 3.56Å; S177-S427 WeakPolarHBondContact O-CA 3.47Å; E186-S427 VanDerWaalsContact CD-OG 3.27Å; E186-S427 PolarHBondContact OE1-OG 2.88Å; E186-S427 VanDerWaalsContact OE2-CB 3.26Å; E186-S427 WeakPolarHBondContact OE2-CB 3.16Å; E186-S427 PolarHBondContact OE2-OG 3.39Å; S427-Q429 VanDerWaalsContact C-N 3.26Å; S427-Q429 PolarHBondContact O-N 3.15Å; S427-Q429 PolarHBondContact OG-N 3.3Å; S427-I430 PolarHBondContact O-N 3.34Å; S427-I430 WeakPolarHBondContact OG-CG1 3.35Å; S427-I430 PolarHBondContact OG-N 3.37Å; S427-I430 VanDerWaalsContact OG-N 3.09Å; S427-R431 WeakPolarHBondContact O-CB 3.25Å; S427-R431 PolarHBondContact O-N 2.84Å
428	E	98.5	Very high	98.3	Very high	15 Å²	15	29.4 Å²	29.4	7%	0.07	14%	0.14	C	C	.	.	H	α-helix	trans	-61.7	-36.7	171.4	174.1	55.3	-164.7	0	0	111.5	S177 R431 A432 N453 G547 V548	S177-E428 PolarHBondContact O-N 3.45Å; E428-R431 VanDerWaalsContact CD-NH2 3.35Å; E428-R431 PolarHBondContact O-N 3.4Å; E428-R431 IonicContact OE1-CZ 3.31Å; E428-R431 IonicContact OE1-NE 2.74Å; E428-R431 IonicContact OE1-NH2 2.88Å; E428-R431 PolarHBondContact OE1-NH2 2.83Å; E428-R431 IonicContact OE2-CZ 2.88Å; E428-R431 IonicContact OE2-NE 2.88Å; E428-R431 PolarHBondContact OE2-NE 2.93Å; E428-R431 IonicContact OE2-NH2 2.74Å; E428-R431 PolarHBondContact OE2-NH2 2.59Å; E428-A432 VanDerWaalsContact O-CB 3.23Å; E428-A432 WeakPolarHBondContact O-CB 3.43Å; E428-A432 PolarHBondContact O-N 3.28Å; E428-N453 WeakPolarHBondContact CA-ND2 3.49Å; E428-N453 PolarHBondContact N-ND2 2.84Å; E428-N453 PolarHBondContact OE2-ND2 3.29Å; E428-G547 WeakPolarHBondContact OE1-CA 3.39Å; E428-V548 PolarHBondContact OE1-N 3.48Å
429	Q	98.3	Very high	98.4	Very high	25 Å²	25	22.4 Å²	22.4	12%	0.117	11%	0.11	C	C	.	.	H	α-helix	trans	-61.1	-47.1	173.6	173.5	168.3	55.8	0	0	111.1	S427 T433 F544 D545	S427-Q429 VanDerWaalsContact C-N 3.26Å; S427-Q429 PolarHBondContact O-N 3.15Å; S427-Q429 PolarHBondContact OG-N 3.3Å; Q429-T433 VanDerWaalsContact O-CB 3.27Å; Q429-T433 WeakPolarHBondContact O-CB 3.3Å; Q429-T433 PolarHBondContact O-N 2.95Å; Q429-T433 PolarHBondContact O-OG1 3.19Å; Q429-F544 HydrophobicContact CG-CB 3.79Å; Q429-F544 HydrophobicContact CG-CD1 4Å; Q429-F544 HydrophobicContact CG-CG 4.13Å; Q429-D545 CarbonylContact C-O 3.59Å; Q429-D545 VanDerWaalsContact CA-O 3.29Å; Q429-D545 WeakPolarHBondContact CA-O 3.02Å; Q429-D545 WeakPolarHBondContact CG-O 3.33Å
430	I	98.4	Very high	98.3	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.005	11%	0.108	C	C	.	.	H	α-helix	trans	-63.2	-50.5	175	-66.9	-60.5	0	0	0	110.5	Q182 E186 S395 P425 S427 A432 T433 L434 F544	Q182-I430 HydrophobicContact CG-CG1 4.44Å; E186-I430 WeakPolarHBondContact OE1-CG1 3.5Å; S395-I430 WeakPolarHBondContact O-CG2 3.39Å; P425-I430 HydrophobicContact CB-CG2 4.23Å; S427-I430 PolarHBondContact O-N 3.34Å; S427-I430 WeakPolarHBondContact OG-CG1 3.35Å; S427-I430 PolarHBondContact OG-N 3.37Å; S427-I430 VanDerWaalsContact OG-N 3.09Å; I430-A432 PolarHBondContact O-N 2.92Å; I430-T433 PolarHBondContact O-N 3.22Å; I430-L434 HydrophobicContact CG2-CD1 3.49Å; I430-L434 VanDerWaalsContact CG2-CD1 3.49Å; I430-L434 HydrophobicContact CG2-CG 3.9Å; I430-L434 WeakPolarHBondContact O-CB 3.13Å; I430-L434 WeakPolarHBondContact O-CG 3.29Å; I430-L434 PolarHBondContact O-N 3.11Å; I430-F544 HydrophobicContact CD1-CD1 4.34Å; I430-F544 HydrophobicContact CD1-CE1 3.71Å
431	R	98.3	Very high	98.3	Very high	72 Å²	72	21.1 Å²	21.1	27%	0.272	11%	0.109	S	C	.	.	H	α-helix	trans	-55.7	-49.6	-178.9	-171.9	-157.9	66.3	70.3	4	111.6	P425 S427 E428 L434 E435 N453	P425-R431 HydrophobicContact CB-CB 3.85Å; P425-R431 HydrophobicContact CB-CG 4.4Å; P425-R431 HydrophobicContact CG-CB 4.02Å; P425-R431 HydrophobicContact CG-CG 4.01Å; S427-R431 WeakPolarHBondContact O-CB 3.25Å; S427-R431 PolarHBondContact O-N 2.84Å; E428-R431 VanDerWaalsContact CD-NH2 3.35Å; E428-R431 PolarHBondContact O-N 3.4Å; E428-R431 IonicContact OE1-CZ 3.31Å; E428-R431 IonicContact OE1-NE 2.74Å; E428-R431 IonicContact OE1-NH2 2.88Å; E428-R431 PolarHBondContact OE1-NH2 2.83Å; E428-R431 IonicContact OE2-CZ 2.88Å; E428-R431 IonicContact OE2-NE 2.88Å; E428-R431 PolarHBondContact OE2-NE 2.93Å; E428-R431 IonicContact OE2-NH2 2.74Å; E428-R431 PolarHBondContact OE2-NH2 2.59Å; R431-L434 PolarHBondContact O-N 3.02Å; R431-E435 WeakPolarHBondContact O-CB 3.3Å; R431-E435 PolarHBondContact O-N 3.02Å; R431-N453 WeakPolarHBondContact CB-OD1 3.2Å
432	A	98.6	Very high	98.3	Very high	9 Å²	9	24.2 Å²	24.2	7%	0.074	12%	0.123	C	C	.	.	H	α-helix	trans	-62.1	-43.6	179.4	0	0	0	0	0	111.6	E428 I430 E435 R436 D545 G547	E428-A432 VanDerWaalsContact O-CB 3.23Å; E428-A432 WeakPolarHBondContact O-CB 3.43Å; E428-A432 PolarHBondContact O-N 3.28Å; I430-A432 PolarHBondContact O-N 2.92Å; A432-E435 PolarHBondContact O-N 2.72Å; A432-R436 WeakPolarHBondContact O-CB 3.12Å; A432-R436 PolarHBondContact O-N 3.43Å; A432-D545 HydrophobicContact CB-CB 4.03Å; A432-G547 VanDerWaalsContact CB-CA 3.49Å
433	T	98.8	Very high	98.2	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-62.8	-46.5	177.3	-56.8	0	0	0	0	111.8	Y397 Q429 I430 E435 R436 D437 P540 F544 D545	Y397-T433 HydrophobicContact CD2-CG2 3.88Å; Y397-T433 HydrophobicContact CE2-CG2 3.94Å; Q429-T433 VanDerWaalsContact O-CB 3.27Å; Q429-T433 WeakPolarHBondContact O-CB 3.3Å; Q429-T433 PolarHBondContact O-N 2.95Å; Q429-T433 PolarHBondContact O-OG1 3.19Å; I430-T433 PolarHBondContact O-N 3.22Å; T433-E435 VanDerWaalsContact C-N 3.33Å; T433-E435 PolarHBondContact O-N 3.49Å; T433-R436 PolarHBondContact O-N 2.97Å; T433-D437 WeakPolarHBondContact O-CB 3.25Å; T433-D437 PolarHBondContact O-N 2.8Å; T433-P540 HydrophobicContact CG2-CB 3.78Å; T433-P540 HydrophobicContact CG2-CG 3.97Å; T433-F544 HydrophobicContact CG2-CD1 4.11Å; T433-D545 PolarHBondContact OG1-N 3.26Å; T433-D545 PolarHBondContact OG1-O 2.84Å
434	L	98.5	Very high	98.2	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-64.4	-37.4	178.5	-65.5	174.6	0	0	0	112.2	Y397 M400 I430 R431 G438 V439 T440	Y397-L434 HydrophobicContact CD2-CD2 3.71Å; Y397-L434 HydrophobicContact CE2-CD2 4.13Å; M400-L434 HydrophobicContact CB-CD1 3.86Å; M400-L434 HydrophobicContact CB-CD2 3.57Å; M400-L434 HydrophobicContact CB-CG 4.38Å; M400-L434 HydrophobicContact CG-CD1 3.71Å; M400-L434 HydrophobicContact CG-CD2 4.3Å; M400-L434 HydrophobicContact SD-CD1 4.29Å; I430-L434 HydrophobicContact CG2-CD1 3.49Å; I430-L434 VanDerWaalsContact CG2-CD1 3.49Å; I430-L434 HydrophobicContact CG2-CG 3.9Å; I430-L434 WeakPolarHBondContact O-CB 3.13Å; I430-L434 WeakPolarHBondContact O-CG 3.29Å; I430-L434 PolarHBondContact O-N 3.11Å; R431-L434 PolarHBondContact O-N 3.02Å; L434-G438 PolarHBondContact O-N 2.97Å; L434-V439 HydrophobicContact CB-CB 4.11Å; L434-V439 HydrophobicContact CD2-CB 3.8Å; L434-V439 HydrophobicContact CD2-CG1 3.77Å; L434-V439 HydrophobicContact CD2-CG2 4.04Å; L434-V439 PolarHBondContact O-N 2.69Å; L434-T440 HydrophobicContact CB-CG2 3.87Å; L434-T440 PolarHBondContact O-N 2.66Å
435	E	98.1	Very high	98.1	Very high	72 Å²	72	33.7 Å²	33.7	34%	0.336	16%	0.162	S	C	.	.	H	α-helix	trans	-67.4	-47.7	176.6	-163.5	69.8	-146.7	0	0	110.8	R431 A432 T433 D437 G438 T440 R444	R431-E435 WeakPolarHBondContact O-CB 3.3Å; R431-E435 PolarHBondContact O-N 3.02Å; A432-E435 PolarHBondContact O-N 2.72Å; T433-E435 VanDerWaalsContact C-N 3.33Å; T433-E435 PolarHBondContact O-N 3.49Å; E435-D437 VanDerWaalsContact C-N 3.28Å; E435-D437 PolarHBondContact O-N 2.97Å; E435-G438 PolarHBondContact O-N 3Å; E435-G438 VanDerWaalsContact O-N 3.11Å; E435-T440 WeakPolarHBondContact OE2-CB 3.45Å; E435-T440 PolarHBondContact OE2-OG1 2.98Å; E435-R444 VanDerWaalsContact CD-NH1 3.32Å; E435-R444 IonicContact OE1-CZ 2.71Å; E435-R444 IonicContact OE1-NH1 3.64Å; E435-R444 PolarHBondContact OE1-NH1 3.21Å; E435-R444 IonicContact OE1-NH2 3.4Å; E435-R444 IonicContact OE2-CZ 3.23Å; E435-R444 IonicContact OE2-NH1 3.76Å; E435-R444 PolarHBondContact OE2-NH1 3.23Å; E435-R444 IonicContact OE2-NH2 2.72Å; E435-R444 PolarHBondContact OE2-NH2 3.4Å
436	R	98.2	Very high	98.1	Very high	87 Å²	87	33.8 Å²	33.8	33%	0.328	16%	0.163	S	C	.	.	H	α-helix	trans	-57.1	-41.5	176.6	-177.3	-157.7	68.9	-162.7	-5	112.1	A432 T433 G438 G543	A432-R436 WeakPolarHBondContact O-CB 3.12Å; A432-R436 PolarHBondContact O-N 3.43Å; T433-R436 PolarHBondContact O-N 2.97Å; R436-G438 VanDerWaalsContact C-N 3.28Å; R436-G438 PolarHBondContact O-N 3.21Å; R436-G543 VanDerWaalsContact CZ-O 3.31Å; R436-G543 PolarHBondContact NH1-O 3.38Å; R436-G543 PolarHBondContact NH2-O 3.49Å
437	D	98.3	Very high	98	Very high	38 Å²	38	36.1 Å²	36.1	20%	0.203	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	5.4	-177.3	-65.4	-19.8	0	0	0	113.1	Y397 T433 E435 V439	Y397-D437 HydrophobicContact CE2-CB 4.45Å; Y397-D437 PolarHBondContact OH-OD2 3.45Å; T433-D437 WeakPolarHBondContact O-CB 3.25Å; T433-D437 PolarHBondContact O-N 2.8Å; E435-D437 VanDerWaalsContact C-N 3.28Å; E435-D437 PolarHBondContact O-N 2.97Å; D437-V439 HydrophobicContact CB-CG2 4.21Å; D437-V439 PolarHBondContact O-N 3.43Å
438	G	97.9	Very high	98	Very high	27 Å²	27	36.3 Å²	36.3	28%	0.278	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.4	14.6	175.6	0	0	0	0	0	114.5	L434 E435 R436 K442	L434-G438 PolarHBondContact O-N 2.97Å; E435-G438 PolarHBondContact O-N 3Å; E435-G438 VanDerWaalsContact O-N 3.11Å; R436-G438 VanDerWaalsContact C-N 3.28Å; R436-G438 PolarHBondContact O-N 3.21Å; G438-K442 PolarHBondContact O-N 3.01Å
439	V	98.2	Very high	98	Very high	7 Å²	7	38 Å²	38	4%	0.042	20%	0.2	C	C	.	.	H	α-helix	trans	-70.4	-45.8	-178.4	-176.9	0	0	0	0	110.7	Y397 M400 T401 A404 L434 D437 A441 K442 F443	Y397-V439 HydrophobicContact CE2-CG2 4.47Å; M400-V439 HydrophobicContact CB-CG1 4.36Å; T401-V439 HydrophobicContact CG2-CG1 4.42Å; T401-V439 HydrophobicContact CG2-CG2 3.92Å; A404-V439 HydrophobicContact CB-CG1 3.57Å; L434-V439 HydrophobicContact CB-CB 4.11Å; L434-V439 HydrophobicContact CD2-CB 3.8Å; L434-V439 HydrophobicContact CD2-CG1 3.77Å; L434-V439 HydrophobicContact CD2-CG2 4.04Å; L434-V439 PolarHBondContact O-N 2.69Å; D437-V439 HydrophobicContact CB-CG2 4.21Å; D437-V439 PolarHBondContact O-N 3.43Å; V439-A441 VanDerWaalsContact C-N 3.28Å; V439-A441 PolarHBondContact O-N 2.94Å; V439-K442 WeakPolarHBondContact O-CB 3.48Å; V439-K442 PolarHBondContact O-N 3.14Å; V439-F443 HydrophobicContact CG1-CE2 4.12Å
440	T	97.3	Very high	98	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-63.3	-34.8	176.6	50	0	0	0	0	112.4	L434 E435 K442 F443 R444 V450	L434-T440 HydrophobicContact CB-CG2 3.87Å; L434-T440 PolarHBondContact O-N 2.66Å; E435-T440 WeakPolarHBondContact OE2-CB 3.45Å; E435-T440 PolarHBondContact OE2-OG1 2.98Å; T440-K442 VanDerWaalsContact C-N 3.27Å; T440-K442 PolarHBondContact O-N 3.42Å; T440-F443 PolarHBondContact O-N 3.04Å; T440-R444 PolarHBondContact O-N 2.9Å; T440-R444 PolarHBondContact OG1-NH1 2.88Å; T440-V450 HydrophobicContact CG2-CG2 4.17Å
441	A	97.9	Very high	98	Very high	48 Å²	48	37.7 Å²	37.7	40%	0.397	20%	0.199	S	C	.	.	H	α-helix	trans	-60.9	-36.4	177.5	0	0	0	0	0	112.1	V439 F443 R444 K445	V439-A441 VanDerWaalsContact C-N 3.28Å; V439-A441 PolarHBondContact O-N 2.94Å; A441-F443 PolarHBondContact O-N 3.36Å; A441-R444 PolarHBondContact O-N 3.43Å; A441-K445 VanDerWaalsContact O-CB 3.32Å; A441-K445 WeakPolarHBondContact O-CB 3.24Å; A441-K445 PolarHBondContact O-N 2.98Å
442	K	98	Very high	98	Very high	68 Å²	68	34.7 Å²	34.7	30%	0.296	19%	0.19	S	C	.	.	H	α-helix	trans	-61.1	-42.4	175.6	-66.4	175.2	176.5	-165.5	0	111.8	A404 E408 G438 V439 T440	A404-K442 HydrophobicContact CB-CB 4.36Å; A404-K442 HydrophobicContact CB-CD 4.04Å; E408-K442 HydrophobicContact CB-CD 4.34Å; E408-K442 WeakPolarHBondContact OE1-CE 3.43Å; E408-K442 IonicContact OE1-NZ 3.49Å; E408-K442 PolarHBondContact OE1-NZ 3.44Å; E408-K442 IonicContact OE2-NZ 3.4Å; E408-K442 PolarHBondContact OE2-NZ 2.91Å; G438-K442 PolarHBondContact O-N 3.01Å; V439-K442 WeakPolarHBondContact O-CB 3.48Å; V439-K442 PolarHBondContact O-N 3.14Å; T440-K442 VanDerWaalsContact C-N 3.27Å; T440-K442 PolarHBondContact O-N 3.42Å
443	F	98.3	Very high	97.9	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-67.2	-49.1	175.8	-60.8	-56.3	0	0	0	112.2	I389 M400 A403 A404 A407 F421 V423 V439 T440 A441 K445 I446 G447 G448	I389-F443 HydrophobicContact CD1-CE1 4.09Å; I389-F443 HydrophobicContact CD1-CE2 4.38Å; I389-F443 HydrophobicContact CD1-CZ 3.85Å; M400-F443 WeakPolarHBondContact O-CZ 3.48Å; M400-F443 HydrophobicContact SD-CE2 4.37Å; A403-F443 HydrophobicContact CB-CE1 3.9Å; A403-F443 HydrophobicContact CB-CZ 3.74Å; A404-F443 HydrophobicContact CB-CE1 4.05Å; A404-F443 HydrophobicContact CB-CE2 4.13Å; A404-F443 HydrophobicContact CB-CZ 3.67Å; A407-F443 HydrophobicContact CB-CD1 3.9Å; A407-F443 HydrophobicContact CB-CE1 4.15Å; F421-F443 AromaticContact CE1-CD1 3.72Å; F421-F443 HydrophobicContact CE1-CD1 3.72Å; F421-F443 HydrophobicContact CE1-CE1 4.18Å; F421-F443 HydrophobicContact CE1-CG 4.27Å; F421-F443 HydrophobicContact CZ-CD1 4.38Å; F421-F443 HydrophobicContact CZ-CE1 4.43Å; V423-F443 HydrophobicContact CG1-CD2 4.22Å; V423-F443 HydrophobicContact CG1-CE2 4.26Å; V423-F443 HydrophobicContact CG2-CB 4.14Å; V423-F443 HydrophobicContact CG2-CD1 4.45Å; V423-F443 HydrophobicContact CG2-CD2 3.97Å; V423-F443 HydrophobicContact CG2-CE2 4.49Å; V423-F443 HydrophobicContact CG2-CG 3.95Å; V439-F443 HydrophobicContact CG1-CE2 4.12Å; T440-F443 PolarHBondContact O-N 3.04Å; A441-F443 PolarHBondContact O-N 3.36Å; F443-K445 VanDerWaalsContact C-N 3.28Å; F443-K445 PolarHBondContact O-N 2.9Å; F443-I446 WeakPolarHBondContact O-CG1 3.25Å; F443-I446 PolarHBondContact O-N 2.66Å; F443-G447 PolarHBondContact O-N 2.96Å; F443-G448 WeakPolarHBondContact O-CA 3.46Å; F443-G448 PolarHBondContact O-N 3Å
444	R	98	Very high	97.9	Very high	105 Å²	105	34.7 Å²	34.7	40%	0.396	19%	0.189	S	C	.	.	H	α-helix	trans	-58.9	-40.5	-178.7	-67.6	-174.1	-165.9	116.4	1.8	112.1	E435 T440 A441 I446 G447 G448 V450	E435-R444 VanDerWaalsContact CD-NH1 3.32Å; E435-R444 IonicContact OE1-CZ 2.71Å; E435-R444 IonicContact OE1-NH1 3.64Å; E435-R444 PolarHBondContact OE1-NH1 3.21Å; E435-R444 IonicContact OE1-NH2 3.4Å; E435-R444 IonicContact OE2-CZ 3.23Å; E435-R444 IonicContact OE2-NH1 3.76Å; E435-R444 PolarHBondContact OE2-NH1 3.23Å; E435-R444 IonicContact OE2-NH2 2.72Å; E435-R444 PolarHBondContact OE2-NH2 3.4Å; T440-R444 PolarHBondContact O-N 2.9Å; T440-R444 PolarHBondContact OG1-NH1 2.88Å; A441-R444 PolarHBondContact O-N 3.43Å; R444-I446 PolarHBondContact O-N 3.49Å; R444-G447 PolarHBondContact O-N 3.14Å; R444-G448 WeakPolarHBondContact CA-O 3.36Å; R444-V450 HydrophobicContact CG-CG2 4.29Å
445	K	97.1	Very high	97.9	Very high	132 Å²	132	35.2 Å²	35.2	57%	0.574	19%	0.193	S	C	*	.	H	α-helix	trans	-55.8	-35.6	-178.6	-171.2	175.6	179.6	-164.9	0	113.2	D411 A441 F443	D411-K445 VanDerWaalsContact OD1-CD 3.27Å; D411-K445 WeakPolarHBondContact OD1-CD 3.37Å; D411-K445 WeakPolarHBondContact OD1-CE 3.43Å; D411-K445 IonicContact OD1-NZ 2.78Å; D411-K445 PolarHBondContact OD1-NZ 3.13Å; D411-K445 WeakPolarHBondContact OD2-CD 3.4Å; D411-K445 WeakPolarHBondContact OD2-CE 3.42Å; D411-K445 IonicContact OD2-NZ 2.96Å; D411-K445 PolarHBondContact OD2-NZ 2.99Å; A441-K445 VanDerWaalsContact O-CB 3.32Å; A441-K445 WeakPolarHBondContact O-CB 3.24Å; A441-K445 PolarHBondContact O-N 2.98Å; F443-K445 VanDerWaalsContact C-N 3.28Å; F443-K445 PolarHBondContact O-N 2.9Å
446	I	96.6	Very high	97.8	Very high	2 Å²	2	32 Å²	32	1%	0.01	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	14.9	-179.4	62.6	157.7	0	0	0	114	A407 A410 D411 C415 F417 F443 R444 L508	A407-I446 HydrophobicContact CB-CD1 3.54Å; A407-I446 HydrophobicContact CB-CG1 4.25Å; A410-I446 HydrophobicContact CB-CD1 4.43Å; D411-I446 HydrophobicContact CB-CG2 3.65Å; C415-I446 WeakPolarHBondContact O-CG2 3.1Å; F417-I446 HydrophobicContact CD2-CD1 3.87Å; F417-I446 HydrophobicContact CD2-CG1 3.9Å; F417-I446 WeakPolarHBondContact CD2-O 3.47Å; F417-I446 HydrophobicContact CE1-CD1 4.26Å; F417-I446 HydrophobicContact CE2-CD1 3.33Å; F417-I446 HydrophobicContact CE2-CG1 3.51Å; F417-I446 HydrophobicContact CZ-CD1 3.55Å; F417-I446 HydrophobicContact CZ-CG1 4.23Å; F417-I446 PolarHBondContact N-O 3.46Å; F417-I446 VanDerWaalsContact N-O 3.12Å; F443-I446 WeakPolarHBondContact O-CG1 3.25Å; F443-I446 PolarHBondContact O-N 2.66Å; R444-I446 PolarHBondContact O-N 3.49Å; I446-L508 HydrophobicContact CD1-CD2 3.93Å
447	G	96.9	Very high	97.8	Very high	48 Å²	48	27.9 Å²	27.9	50%	0.495	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	104	9.6	171.3	0	0	0	0	0	116	F443 R444	F443-G447 PolarHBondContact O-N 2.96Å; R444-G447 PolarHBondContact O-N 3.14Å
448	G	98.1	Very high	97.7	Very high	7 Å²	7	26.5 Å²	26.5	7%	0.072	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	143.4	176	0	0	0	0	0	113.5	F421 F443 R444	F421-G448 WeakPolarHBondContact O-CA 3.3Å; F443-G448 WeakPolarHBondContact O-CA 3.46Å; F443-G448 PolarHBondContact O-N 3Å; R444-G448 WeakPolarHBondContact CA-O 3.36Å
449	V	98.2	Very high	97.6	Very high	50 Å²	50	25.6 Å²	25.6	30%	0.303	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	126.1	175.7	178.1	0	0	0	0	109.4	M141 D142 F421 Y422 V423 L451	M141-V449 WeakPolarHBondContact O-CG1 3.28Å; D142-V449 HydrophobicContact CB-CG1 4.42Å; F421-V449 PolarHBondContact O-N 2.91Å; Y422-V449 CarbonylContact C-O 3.35Å; Y422-V449 WeakPolarHBondContact CA-O 3.23Å; Y422-V449 HydrophobicContact CD1-CB 3.92Å; Y422-V449 HydrophobicContact CD1-CG1 4.21Å; Y422-V449 HydrophobicContact CE1-CB 4.25Å; Y422-V449 HydrophobicContact CE1-CG1 4.45Å; V423-V449 PolarHBondContact N-O 3.37Å; V449-L451 HydrophobicContact CG1-CD2 4.2Å
450	V	98.3	Very high	97.4	Very high	14 Å²	14	25.9 Å²	25.9	9%	0.085	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	115.8	175.9	-176	0	0	0	0	109	G143 V423 P425 T440 R444	G143-V450 PolarHBondContact N-O 2.85Å; V423-V450 HydrophobicContact CB-CG2 4.41Å; V423-V450 CarbonylContact O-C 3.58Å; V423-V450 WeakPolarHBondContact O-CA 3.29Å; P425-V450 HydrophobicContact CG-CG1 3.94Å; T440-V450 HydrophobicContact CG2-CG2 4.17Å; R444-V450 HydrophobicContact CG-CG2 4.29Å
451	L	98.4	Very high	97.4	Very high	5 Å²	5	26.9 Å²	26.9	3%	0.026	15%	0.154	C	C	.	.			trans	-82.8	172.2	178	-60.7	-178.4	0	0	0	111.3	A139 G143 Y422 V423 V449 P457	A139-L451 HydrophobicContact CB-CD1 3.88Å; A139-L451 HydrophobicContact CB-CD2 4.08Å; G143-L451 VanDerWaalsContact CA-C 3.47Å; Y422-L451 HydrophobicContact CD1-CD1 4.18Å; Y422-L451 HydrophobicContact CD1-CD2 3.91Å; Y422-L451 HydrophobicContact CD1-CG 4.17Å; Y422-L451 HydrophobicContact CG-CD1 4.31Å; V423-L451 PolarHBondContact O-N 3.41Å; V449-L451 HydrophobicContact CG1-CD2 4.2Å; L451-P457 HydrophobicContact CD1-CG 3.97Å
452	A	97.8	Very high	97.4	Very high	9 Å²	9	25.4 Å²	25.4	7%	0.074	14%	0.139	C	C	.	.			trans	-64.4	156.9	175.7	0	0	0	0	0	111.3	I137 A454	I137-A452 HydrophobicContact CG2-CB 3.75Å; A452-A454 HydrophobicContact CB-CB 4.4Å; A452-A454 PolarHBondContact O-N 3.49Å
453	N	98.1	Very high	97.3	Very high	8 Å²	8	23.9 Å²	23.9	4%	0.043	13%	0.134	C	C	.	.	S	Bend	trans	-74.1	69.9	176.7	-41.4	-37.8	0	0	0	110.3	G176 G178 P425 E428 R431	G176-N453 PolarHBondContact O-ND2 3.37Å; G178-N453 CarbonylContact C-O 3.55Å; G178-N453 VanDerWaalsContact CA-O 3.29Å; G178-N453 WeakPolarHBondContact CA-O 3.27Å; G178-N453 PolarHBondContact N-O 2.95Å; P425-N453 WeakPolarHBondContact CB-OD1 3.2Å; P425-N453 WeakPolarHBondContact O-CA 3.39Å; E428-N453 WeakPolarHBondContact CA-ND2 3.49Å; E428-N453 PolarHBondContact N-ND2 2.84Å; E428-N453 PolarHBondContact OE2-ND2 3.29Å; R431-N453 WeakPolarHBondContact CB-OD1 3.2Å
454	A	98	Very high	97.2	Very high	2 Å²	2	25 Å²	25	2%	0.017	14%	0.138	C	C	.	.	S	Bend	trans	-151.8	164.8	-168.5	0	0	0	0	0	111.1	D134 I137 T424 A452 G456	D134-A454 WeakPolarHBondContact O-CB 3.26Å; I137-A454 HydrophobicContact CB-CB 3.71Å; I137-A454 HydrophobicContact CD1-CB 3.74Å; I137-A454 HydrophobicContact CG1-CB 4.23Å; I137-A454 HydrophobicContact CG2-CB 4.2Å; T424-A454 WeakPolarHBondContact CG2-O 3.32Å; A452-A454 HydrophobicContact CB-CB 4.4Å; A452-A454 PolarHBondContact O-N 3.49Å; A454-G456 VanDerWaalsContact C-N 3.32Å; A454-G456 PolarHBondContact O-N 2.92Å
455	C	97.6	Very high	97	Very high	10 Å²	10	27.4 Å²	27.4	7%	0.068	15%	0.151	C	C	.	.			trans	-60.6	-41.1	179.2	-72.7	0	0	0	0	112.6	D134 H135 C458 I459	D134-C455 WeakPolarHBondContact O-CB 3.47Å; D134-C455 PolarHBondContact O-N 3.28Å; H135-C455 PolarHBondContact CE1-SG 3.48Å; C455-C458 VanDerWaalsContact O-CB 3.25Å; C455-C458 WeakPolarHBondContact O-CB 3.32Å; C455-C458 PolarHBondContact O-N 3.05Å; C455-I459 HydrophobicContact CB-CG2 3.85Å
456	G	97	Very high	96.9	Very high	5 Å²	5	24 Å²	24	5%	0.052	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	47.4	-123.5	174.6	0	0	0	0	0	113.5	A454 C458 I459 Q461	A454-G456 VanDerWaalsContact C-N 3.32Å; A454-G456 PolarHBondContact O-N 2.92Å; G456-C458 PolarHBondContact O-N 3.21Å; G456-I459 WeakPolarHBondContact O-CG2 3.5Å; G456-I459 PolarHBondContact O-N 3.04Å; G456-Q461 CarbonylContact C-O 3.59Å; G456-Q461 VanDerWaalsContact C-O 3.25Å; G456-Q461 WeakPolarHBondContact CA-O 3.3Å; G456-Q461 WeakPolarHBondContact O-CB 3.49Å; G456-Q461 PolarHBondContact O-N 3.19Å
457	P	97.6	Very high	96.9	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.006	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-59.8	-16.3	-177.9	-21.8	32.7	0	0	0	115.7	A139 L388 L451 I459 G460 W462 Y479 N487	A139-P457 HydrophobicContact CB-CG 3.94Å; L388-P457 HydrophobicContact CD2-CB 3.64Å; L388-P457 HydrophobicContact CD2-CG 3.78Å; L451-P457 HydrophobicContact CD1-CG 3.97Å; P457-I459 VanDerWaalsContact C-N 3.32Å; P457-I459 PolarHBondContact O-N 2.96Å; P457-G460 PolarHBondContact O-N 2.78Å; P457-W462 HydrophobicContact CB-CB 3.95Å; P457-W462 HydrophobicContact CB-CD2 4.04Å; P457-W462 HydrophobicContact CB-CE3 3.95Å; P457-W462 HydrophobicContact CB-CG 4.08Å; P457-W462 HydrophobicContact CG-CB 3.96Å; P457-W462 HydrophobicContact CG-CD2 4.12Å; P457-W462 HydrophobicContact CG-CG 3.88Å; P457-Y479 HydrophobicContact CB-CE2 4.13Å; P457-N487 VanDerWaalsContact O-CA 3.3Å; P457-N487 WeakPolarHBondContact O-CA 3.49Å; P457-N487 PolarHBondContact O-ND2 3.05Å
458	C	97.2	Very high	96.8	Very high	9 Å²	9	30.5 Å²	30.5	6%	0.061	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-67.2	-30.9	178.5	-175.5	0	0	0	0	113.1	C455 G456 Y479 R486	C455-C458 VanDerWaalsContact O-CB 3.25Å; C455-C458 WeakPolarHBondContact O-CB 3.32Å; C455-C458 PolarHBondContact O-N 3.05Å; G456-C458 PolarHBondContact O-N 3.21Å; C458-Y479 HydrophobicContact CB-CD2 3.92Å; C458-Y479 HydrophobicContact CB-CE2 4.03Å; C458-Y479 HydrophobicContact CB-CG 4.18Å; C458-R486 PolarHBondContact O-NE 3.31Å
459	I	94.8	Very high	96.5	Very high	7 Å²	7	37 Å²	37	4%	0.036	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108	6.1	178.8	-171	59.8	0	0	0	112.6	C455 G456 P457 Q461 A607 G608 L611	C455-I459 HydrophobicContact CB-CG2 3.85Å; G456-I459 WeakPolarHBondContact O-CG2 3.5Å; G456-I459 PolarHBondContact O-N 3.04Å; P457-I459 VanDerWaalsContact C-N 3.32Å; P457-I459 PolarHBondContact O-N 2.96Å; I459-Q461 HydrophobicContact CG2-CB 4.09Å; I459-Q461 HydrophobicContact CG2-CG 3.95Å; I459-A607 HydrophobicContact CD1-CB 3.66Å; I459-A607 HydrophobicContact CG1-CB 4.02Å; I459-G608 PolarHBondContact O-N 2.72Å; I459-L611 HydrophobicContact CG1-CD1 3.93Å; I459-L611 HydrophobicContact CG2-CD1 4.21Å
460	G	95.3	Very high	96.4	Very high	13 Å²	13	37 Å²	37	13%	0.134	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.8	15.6	-176.4	0	0	0	0	0	114.4	P457 W462 R486 N487	P457-G460 PolarHBondContact O-N 2.78Å; G460-W462 PolarHBondContact O-N 3.49Å; G460-W462 VanDerWaalsContact O-N 3.09Å; G460-R486 VanDerWaalsContact CA-O 3.22Å; G460-R486 WeakPolarHBondContact CA-O 3.12Å; G460-R486 PolarHBondContact N-O 3.4Å; G460-N487 WeakPolarHBondContact CA-O 3.11Å
461	Q	96.6	Very high	96.3	Very high	21 Å²	21	39.7 Å²	39.7	10%	0.098	20%	0.204	C	C	.	.			trans	-84.5	66.4	170.1	-80.3	-72.2	-36.2	0	0	109.3	H135 A139 G456 I459 G608 L611	H135-Q461 WeakPolarHBondContact O-CG 3.19Å; A139-Q461 PolarHBondContact N-O 3.41Å; G456-Q461 CarbonylContact C-O 3.59Å; G456-Q461 VanDerWaalsContact C-O 3.25Å; G456-Q461 WeakPolarHBondContact CA-O 3.3Å; G456-Q461 WeakPolarHBondContact O-CB 3.49Å; G456-Q461 PolarHBondContact O-N 3.19Å; I459-Q461 HydrophobicContact CG2-CB 4.09Å; I459-Q461 HydrophobicContact CG2-CG 3.95Å; Q461-G608 PolarHBondContact NE2-O 2.82Å; Q461-L611 HydrophobicContact CG-CD1 3.62Å
462	W	96.9	Very high	96.3	Very high	18 Å²	18	44.3 Å²	44.3	7%	0.068	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-143.8	117.7	-176.9	-176.5	24.3	0	0	0	110.7	A139 D386 L388 Y422 P457 G460 R464 D488	A139-W462 WeakPolarHBondContact O-CA 3.47Å; D386-W462 HydrophobicContact CB-CH2 3.86Å; D386-W462 HydrophobicContact CB-CZ2 4.44Å; L388-W462 HydrophobicContact CD1-CH2 4.38Å; L388-W462 HydrophobicContact CD2-CH2 4.25Å; L388-W462 HydrophobicContact CD2-CZ3 4.26Å; Y422-W462 HydrophobicContact CD2-CZ2 4.5Å; Y422-W462 AromaticContact CE2-CZ2 3.86Å; Y422-W462 HydrophobicContact CE2-CZ2 3.86Å; P457-W462 HydrophobicContact CB-CB 3.95Å; P457-W462 HydrophobicContact CB-CD2 4.04Å; P457-W462 HydrophobicContact CB-CE3 3.95Å; P457-W462 HydrophobicContact CB-CG 4.08Å; P457-W462 HydrophobicContact CG-CB 3.96Å; P457-W462 HydrophobicContact CG-CD2 4.12Å; P457-W462 HydrophobicContact CG-CG 3.88Å; G460-W462 PolarHBondContact O-N 3.49Å; G460-W462 VanDerWaalsContact O-N 3.09Å; W462-R464 HydrophobicContact CD2-CB 3.78Å; W462-R464 HydrophobicContact CD2-CG 4.22Å; W462-R464 HydrophobicContact CE3-CB 4.07Å; W462-R464 HydrophobicContact CE3-CG 4.29Å; W462-R464 HydrophobicContact CG-CB 4.23Å; W462-R464 HydrophobicContact CH2-CB 4.36Å; W462-R464 VanDerWaalsContact CH2-CD 3.42Å; W462-R464 HydrophobicContact CH2-CG 3.73Å; W462-R464 HydrophobicContact CZ2-CB 4.08Å; W462-R464 HydrophobicContact CZ2-CG 3.64Å; W462-R464 HydrophobicContact CZ3-CB 4.37Å; W462-R464 VanDerWaalsContact CZ3-CD 3.47Å; W462-R464 HydrophobicContact CZ3-CG 4.07Å; W462-R464 PolarHBondContact O-N 3.18Å; W462-D488 HydrophobicContact CE3-CB 4.15Å; W462-D488 HydrophobicContact CZ3-CB 4.41Å
463	D	95.9	Very high	96.3	Very high	35 Å²	35	44 Å²	44	19%	0.187	22%	0.224	C	C	.	.			trans	-81.1	70.7	171.1	-171.8	18.8	0	0	0	110.3	E138 A139 R140 K465	E138-D463 HydrophobicContact CG-CB 4.4Å; A139-D463 PolarHBondContact O-N 3.37Å; R140-D463 HydrophobicContact CB-CB 4.06Å; R140-D463 WeakPolarHBondContact CD-OD2 3.25Å; R140-D463 HydrophobicContact CG-CB 4.02Å; R140-D463 IonicContact NE-OD2 3.12Å; D463-K465 PolarHBondContact O-N 3.34Å; D463-K465 WeakPolarHBondContact OD1-CE 3.34Å; D463-K465 IonicContact OD1-NZ 3.29Å; D463-K465 PolarHBondContact OD1-NZ 2.92Å; D463-K465 WeakPolarHBondContact OD2-CE 3.37Å; D463-K465 IonicContact OD2-NZ 3.45Å; D463-K465 PolarHBondContact OD2-NZ 3.02Å
464	R	96.3	Very high	96.3	Very high	25 Å²	25	43.7 Å²	43.7	9%	0.094	22%	0.222	C	C	.	.			trans	-71.1	120.6	-178	-170.3	179.1	-172.2	-166	-4.5	111	D386 W462 N466 V467 N473 I475 D488 T493	D386-R464 IonicContact OD2-CZ 3.25Å; D386-R464 VanDerWaalsContact OD2-CZ 3.23Å; D386-R464 IonicContact OD2-NE 3.21Å; D386-R464 PolarHBondContact OD2-NE 2.83Å; D386-R464 VanDerWaalsContact OD2-NE 3.14Å; D386-R464 IonicContact OD2-NH2 2.74Å; D386-R464 PolarHBondContact OD2-NH2 2.77Å; W462-R464 HydrophobicContact CD2-CB 3.78Å; W462-R464 HydrophobicContact CD2-CG 4.22Å; W462-R464 HydrophobicContact CE3-CB 4.07Å; W462-R464 HydrophobicContact CE3-CG 4.29Å; W462-R464 HydrophobicContact CG-CB 4.23Å; W462-R464 HydrophobicContact CH2-CB 4.36Å; W462-R464 VanDerWaalsContact CH2-CD 3.42Å; W462-R464 HydrophobicContact CH2-CG 3.73Å; W462-R464 HydrophobicContact CZ2-CB 4.08Å; W462-R464 HydrophobicContact CZ2-CG 3.64Å; W462-R464 HydrophobicContact CZ3-CB 4.37Å; W462-R464 VanDerWaalsContact CZ3-CD 3.47Å; W462-R464 HydrophobicContact CZ3-CG 4.07Å; W462-R464 PolarHBondContact O-N 3.18Å; R464-N466 WeakPolarHBondContact CG-OD1 3.26Å; R464-N466 PolarHBondContact NE-OD1 2.77Å; R464-N466 VanDerWaalsContact NE-OD1 3.11Å; R464-V467 HydrophobicContact CG-CG2 4.13Å; R464-V467 VanDerWaalsContact CZ-CG2 3.49Å; R464-N473 PolarHBondContact NH1-OD1 3.39Å; R464-N473 PolarHBondContact NH2-OD1 2.93Å; R464-I475 VanDerWaalsContact NH2-CG2 3.28Å; R464-D488 HydrophobicContact CB-CB 4.32Å; R464-D488 IonicContact CZ-OD2 3.95Å; R464-D488 IonicContact NH1-OD2 3.19Å; R464-D488 PolarHBondContact NH1-OD2 2.75Å; R464-T493 PolarHBondContact NH1-OG1 2.77Å
465	K	94.3	Very high	96.4	Very high	154 Å²	154	43.6 Å²	43.6	67%	0.67	22%	0.222	S	C	*	.			trans	-109.6	-15.2	-176	-62.3	-52.3	-164.2	-161	0	116.1	D463 V467	D463-K465 PolarHBondContact O-N 3.34Å; D463-K465 WeakPolarHBondContact OD1-CE 3.34Å; D463-K465 IonicContact OD1-NZ 3.29Å; D463-K465 PolarHBondContact OD1-NZ 2.92Å; D463-K465 WeakPolarHBondContact OD2-CE 3.37Å; D463-K465 IonicContact OD2-NZ 3.45Å; D463-K465 PolarHBondContact OD2-NZ 3.02Å; K465-V467 VanDerWaalsContact C-N 3.35Å; K465-V467 PolarHBondContact O-N 2.68Å
466	N	95.4	Very high	96.4	Very high	60 Å²	60	43.1 Å²	43.1	32%	0.321	22%	0.218	S	C	.	.	S	Bend	trans	-83.2	-7.1	-170.8	66.5	-30.4	0	0	0	114.6	D386 N420 R464	D386-N466 VanDerWaalsContact CG-ND2 3.29Å; D386-N466 PolarHBondContact OD1-ND2 3.19Å; D386-N466 PolarHBondContact OD2-ND2 3.09Å; N420-N466 PolarHBondContact ND2-ND2 3.4Å; R464-N466 WeakPolarHBondContact CG-OD1 3.26Å; R464-N466 PolarHBondContact NE-OD1 2.77Å; R464-N466 VanDerWaalsContact NE-OD1 3.11Å
467	V	96.2	Very high	96.5	Very high	19 Å²	19	42.9 Å²	42.9	12%	0.115	22%	0.216	C	C	.	.	S	Bend	trans	-133.7	146.1	178	-64.6	0	0	0	0	110.2	K385 R464 K465 N473	K385-V467 HydrophobicContact CG-CG1 4.27Å; R464-V467 HydrophobicContact CG-CG2 4.13Å; R464-V467 VanDerWaalsContact CZ-CG2 3.49Å; K465-V467 VanDerWaalsContact C-N 3.35Å; K465-V467 PolarHBondContact O-N 2.68Å; V467-N473 HydrophobicContact CG1-CB 4.16Å
468	K	94.8	Very high	96.6	Very high	168 Å²	168	42.8 Å²	42.8	73%	0.73	22%	0.216	S	C	*	.			trans	-80.6	150.5	173.6	-65	-179.7	-175.3	175.8	0	110.3	G470 E471	K468-G470 PolarHBondContact O-N 2.82Å; K468-E471 PolarHBondContact N-OE2 2.82Å; K468-E471 WeakPolarHBondContact O-CB 3.22Å; K468-E471 PolarHBondContact O-N 3.01Å
469	K	92.8	Very high	96.6	Very high	143 Å²	143	42.4 Å²	42.4	62%	0.622	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.9	130.2	172.3	-172.1	68.4	166.7	-146.4	0	110.1	E471 A489 N490	K469-E471 VanDerWaalsContact C-N 3.32Å; K469-A489 VanDerWaalsContact CE-O 3.29Å; K469-A489 WeakPolarHBondContact CE-O 3.39Å; K469-A489 PolarHBondContact NZ-O 3.41Å; K469-N490 HydrophobicContact CD-CB 4.33Å
470	G	94.5	Very high	96.7	Very high	50 Å²	50	42 Å²	42	52%	0.515	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.6	-8.5	-176.9	0	0	0	0	0	114.6	K468 I472 N490 A492	K468-G470 PolarHBondContact O-N 2.82Å; G470-I472 PolarHBondContact O-N 2.88Å; G470-N490 WeakPolarHBondContact CA-OD1 3.39Å; G470-N490 PolarHBondContact N-OD1 3.4Å; G470-A492 VanDerWaalsContact O-CB 3.27Å; G470-A492 WeakPolarHBondContact O-CB 3.21Å
471	E	97	Very high	96.6	Very high	72 Å²	72	41.5 Å²	41.5	34%	0.336	21%	0.205	S	C	.	.			trans	-69.9	127	175.3	-171.8	-179.2	150.4	0	0	110.7	K468 K469 N473 N490 A492	K468-E471 PolarHBondContact N-OE2 2.82Å; K468-E471 WeakPolarHBondContact O-CB 3.22Å; K468-E471 PolarHBondContact O-N 3.01Å; K469-E471 VanDerWaalsContact C-N 3.32Å; E471-N473 PolarHBondContact O-N 3.35Å; E471-N473 PolarHBondContact O-ND2 2.99Å; E471-N490 PolarHBondContact O-ND2 2.92Å; E471-A492 WeakPolarHBondContact O-CB 3.47Å
472	I	97.7	Very high	96.5	Very high	102 Å²	102	40.6 Å²	40.6	52%	0.523	20%	0.201	S	C	.	.			trans	-73.4	120.2	174.7	-52.9	175.6	0	0	0	108.2	P381 G470 A492	P381-I472 HydrophobicContact CG-CG2 3.7Å; G470-I472 PolarHBondContact O-N 2.88Å; I472-A492 WeakPolarHBondContact CA-O 3.44Å; I472-A492 HydrophobicContact CG1-CB 4.11Å
473	N	98.5	Very high	96.3	Very high	3 Å²	3	40.2 Å²	40.2	2%	0.016	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	165.5	-178.4	70.8	90.9	0	0	0	110.3	K385 R464 V467 E471 N490 T493 R494	K385-N473 HydrophobicContact CG-CB 4.05Å; R464-N473 PolarHBondContact NH1-OD1 3.39Å; R464-N473 PolarHBondContact NH2-OD1 2.93Å; V467-N473 HydrophobicContact CG1-CB 4.16Å; E471-N473 PolarHBondContact O-N 3.35Å; E471-N473 PolarHBondContact O-ND2 2.99Å; N473-N490 PolarHBondContact ND2-ND2 2.97Å; N473-T493 PolarHBondContact ND2-OG1 2.78Å; N473-R494 PolarHBondContact O-N 3.14Å
474	T	98.8	Very high	96.1	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	137.1	175.7	-66.1	0	0	0	0	111	P381 V384 K385 R494 F496 L512	P381-T474 WeakPolarHBondContact O-CB 3.44Å; P381-T474 PolarHBondContact O-OG1 2.99Å; V384-T474 HydrophobicContact CG2-CG2 4.14Å; K385-T474 PolarHBondContact N-O 2.97Å; T474-R494 WeakPolarHBondContact CA-O 3.07Å; T474-F496 HydrophobicContact CG2-CD2 3.96Å; T474-F496 HydrophobicContact CG2-CE2 4.02Å; T474-L512 HydrophobicContact CG2-CD1 4.48Å; T474-L512 HydrophobicContact CG2-CD2 4.22Å
475	I	98.8	Very high	95.9	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	150.1	166.2	66.1	175.5	0	0	0	109.9	D386 L388 R464 T477 N487 T493 R494 A495 F496	D386-I475 HydrophobicContact CB-CG2 4.01Å; D386-I475 WeakPolarHBondContact O-CA 3.43Å; L388-I475 HydrophobicContact CD1-CB 4.44Å; R464-I475 VanDerWaalsContact NH2-CG2 3.28Å; I475-T477 HydrophobicContact CD1-CG2 4.22Å; I475-T477 HydrophobicContact CG1-CG2 4.42Å; I475-N487 HydrophobicContact CD1-CB 3.89Å; I475-T493 HydrophobicContact CD1-CG2 3.78Å; I475-T493 HydrophobicContact CG1-CG2 3.76Å; I475-T493 HydrophobicContact CG2-CG2 4.21Å; I475-R494 PolarHBondContact N-O 3.23Å; I475-A495 HydrophobicContact CD1-CB 3.96Å; I475-A495 HydrophobicContact CG1-CB 3.72Å; I475-A495 WeakPolarHBondContact O-CA 3.13Å; I475-F496 PolarHBondContact O-N 3.07Å
476	V	98.8	Very high	95.8	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	135	172.9	-60.8	0	0	0	0	109.2	L356 V384 D386 A387 L388 F496 V503 I506 L512	L356-V476 HydrophobicContact CD2-CG1 4.39Å; V384-V476 HydrophobicContact CG1-CG1 4.24Å; V384-V476 HydrophobicContact CG1-CG2 3.68Å; V384-V476 HydrophobicContact CG2-CG1 4.17Å; D386-V476 PolarHBondContact O-N 3.38Å; D386-V476 VanDerWaalsContact O-N 3.09Å; A387-V476 CarbonylContact C-O 3.46Å; A387-V476 VanDerWaalsContact CA-O 3.3Å; A387-V476 WeakPolarHBondContact CA-O 3.48Å; A387-V476 HydrophobicContact CB-CG2 3.8Å; L388-V476 PolarHBondContact N-O 2.76Å; V476-F496 CarbonylContact C-O 3.58Å; V476-F496 WeakPolarHBondContact CA-O 3.39Å; V476-F496 HydrophobicContact CG1-CB 4.26Å; V476-V503 HydrophobicContact CG2-CG1 4.16Å; V476-I506 HydrophobicContact CG1-CG2 4.1Å; V476-I506 HydrophobicContact CG2-CB 4.42Å; V476-I506 HydrophobicContact CG2-CG2 3.89Å; V476-L512 HydrophobicContact CG1-CD1 3.91Å
477	T	98.9	Very high	95.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	152.3	-173.6	74.7	0	0	0	0	111.8	L388 I475 Y479 F496 V497 S498 V503	L388-T477 HydrophobicContact CB-CG2 4.13Å; L388-T477 HydrophobicContact CD1-CG2 3.82Å; L388-T477 CarbonylContact O-C 3.59Å; L388-T477 WeakPolarHBondContact O-CA 3.33Å; I475-T477 HydrophobicContact CD1-CG2 4.22Å; I475-T477 HydrophobicContact CG1-CG2 4.42Å; T477-Y479 HydrophobicContact CG2-CD2 3.92Å; T477-Y479 HydrophobicContact CG2-CE2 4.09Å; T477-Y479 PolarHBondContact O-N 3.22Å; T477-Y479 PolarHBondContact OG1-N 3.44Å; T477-F496 PolarHBondContact N-O 3.13Å; T477-V497 CarbonylContact O-C 3.51Å; T477-V497 VanDerWaalsContact O-CA 3.28Å; T477-V497 WeakPolarHBondContact O-CA 3.37Å; T477-S498 PolarHBondContact O-N 3.04Å; T477-V503 VanDerWaalsContact C-CG2 3.45Å; T477-V503 WeakPolarHBondContact O-CG2 3.5Å
478	S	98.8	Very high	95.8	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.171	C	C	.	.	S	Bend	trans	-90.7	20.4	169.2	79.8	0	0	0	0	112.9	K252 L388 I389 G390 N394 S498	K252-S478 PolarHBondContact NZ-O 2.88Å; K252-S478 VanDerWaalsContact NZ-O 3.09Å; L388-S478 PolarHBondContact O-N 2.87Å; I389-S478 VanDerWaalsContact CA-OG 3.26Å; I389-S478 WeakPolarHBondContact CA-OG 3.46Å; G390-S478 PolarHBondContact N-OG 3.44Å; G390-S478 PolarHBondContact O-OG 3.24Å; N394-S478 PolarHBondContact OD1-O 3.1Å; S478-S498 VanDerWaalsContact CA-O 3.24Å; S478-S498 WeakPolarHBondContact CA-O 3.13Å
479	Y	98	Very high	95.7	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.154	C	C	.	.	S	Bend	trans	-82	-162.3	-179.7	-52.6	-20.2	0	0	0	110.3	K252 L388 S391 P457 C458 T477	K252-Y479 WeakPolarHBondContact CE-O 3.48Å; K252-Y479 PolarHBondContact NZ-O 3Å; L388-Y479 HydrophobicContact CB-CE1 4.4Å; L388-Y479 HydrophobicContact CB-CE2 4.24Å; L388-Y479 HydrophobicContact CD2-CE2 4.44Å; S391-Y479 VanDerWaalsContact CB-CD1 3.47Å; S391-Y479 WeakPolarHBondContact OG-CD1 3.41Å; P457-Y479 HydrophobicContact CB-CE2 4.13Å; C458-Y479 HydrophobicContact CB-CD2 3.92Å; C458-Y479 HydrophobicContact CB-CE2 4.03Å; C458-Y479 HydrophobicContact CB-CG 4.18Å; T477-Y479 HydrophobicContact CG2-CD2 3.92Å; T477-Y479 HydrophobicContact CG2-CE2 4.09Å; T477-Y479 PolarHBondContact O-N 3.22Å; T477-Y479 PolarHBondContact OG1-N 3.44Å
480	N	95.9	Very high	95.8	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	13%	0.125	C	C	.	.	S	Bend	trans	-113.7	-38.4	-177.8	44.8	26.1	0	0	0	113	H201 N292 M293 T393	H201-N480 PolarHBondContact CD2-ND2 3.31Å; H201-N480 PolarHBondContact CE1-ND2 2.91Å; H201-N480 VanDerWaalsContact NE2-CG 3.33Å; H201-N480 PolarHBondContact NE2-ND2 3.32Å; N292-N480 PolarHBondContact OD1-ND2 2.99Å; M293-N480 HydrophobicContact CE-CB 4.23Å; M293-N480 WeakPolarHBondContact CE-O 3.3Å; M293-N480 HydrophobicContact CG-CB 3.38Å; M293-N480 HydrophobicContact SD-CB 3.91Å; T393-N480 HydrophobicContact CG2-CB 4.44Å; T393-N480 PolarHBondContact OG1-ND2 2.71Å
481	R	93	Very high	95.6	Very high	2 Å²	2	20.1 Å²	20.1	1%	0.008	12%	0.119	C	C	.	.			trans	-116.6	134.1	-170.4	-169.9	173.7	-68.8	168.9	8.8	112.3	S200 H201 E296 F483 S676	S200-R481 PolarHBondContact OG-NH2 2.81Å; H201-R481 PolarHBondContact CE1-NH2 2.96Å; E296-R481 IonicContact OE1-CZ 2.6Å; E296-R481 IonicContact OE1-NE 3.72Å; E296-R481 PolarHBondContact OE1-NE 3.12Å; E296-R481 IonicContact OE1-NH2 3.59Å; E296-R481 PolarHBondContact OE1-NH2 3.01Å; R481-F483 VanDerWaalsContact CD-CE2 3.4Å; R481-F483 HydrophobicContact CG-CB 4.49Å; R481-F483 HydrophobicContact CG-CD1 4.35Å; R481-F483 HydrophobicContact CG-CD2 3.59Å; R481-F483 HydrophobicContact CG-CE1 4.48Å; R481-F483 HydrophobicContact CG-CE2 3.75Å; R481-F483 HydrophobicContact CG-CG 3.89Å; R481-F483 HydrophobicContact CG-CZ 4.19Å; R481-S676 PolarHBondContact NH1-OG 3.12Å
482	N	95.8	Very high	95.6	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.005	11%	0.108	C	C	.	.			trans	-132.2	32.2	-177.4	60.6	-12.6	0	0	0	112.5	N357 G358 F360 T361 P362 A495 V497	N357-N482 PolarHBondContact O-ND2 3.4Å; N357-N482 VanDerWaalsContact O-ND2 3.16Å; G358-N482 WeakPolarHBondContact CA-ND2 3.38Å; F360-N482 CarbonylContact C-O 3.52Å; F360-N482 VanDerWaalsContact CA-O 3.27Å; F360-N482 WeakPolarHBondContact CA-O 3.32Å; T361-N482 WeakPolarHBondContact CA-OD1 3.31Å; T361-N482 PolarHBondContact N-OD1 3.26Å; T361-N482 PolarHBondContact O-ND2 3.37Å; T361-N482 PolarHBondContact O-OD1 3.35Å; P362-N482 VanDerWaalsContact N-OD1 3.08Å; N482-A495 HydrophobicContact CB-CB 3.77Å; N482-A495 WeakPolarHBondContact CB-O 3.46Å; N482-A495 PolarHBondContact ND2-O 2.8Å; N482-V497 HydrophobicContact CB-CG1 4.13Å
483	F	92.3	Very high	95.6	Very high	10 Å²	10	12.8 Å²	12.8	4%	0.044	9%	0.085	C	C	.	.			trans	-60.3	154.7	174.2	-61.4	-30.4	0	0	0	111.5	P362 R481 G485 R486 T600 E674	P362-F483 HydrophobicContact CG-CE1 4.37Å; R481-F483 VanDerWaalsContact CD-CE2 3.4Å; R481-F483 HydrophobicContact CG-CB 4.49Å; R481-F483 HydrophobicContact CG-CD1 4.35Å; R481-F483 HydrophobicContact CG-CD2 3.59Å; R481-F483 HydrophobicContact CG-CE1 4.48Å; R481-F483 HydrophobicContact CG-CE2 3.75Å; R481-F483 HydrophobicContact CG-CG 3.89Å; R481-F483 HydrophobicContact CG-CZ 4.19Å; F483-G485 PolarHBondContact O-N 2.98Å; F483-R486 HydrophobicContact CB-CB 4.43Å; F483-R486 WeakPolarHBondContact O-CB 3.41Å; F483-R486 PolarHBondContact O-N 2.72Å; F483-T600 HydrophobicContact CD2-CG2 3.92Å; F483-T600 HydrophobicContact CE2-CG2 3.89Å; F483-T600 HydrophobicContact CG-CG2 4.38Å; F483-T600 HydrophobicContact CZ-CG2 4.3Å; F483-E674 HydrophobicContact CZ-CG 4.4Å; F483-E674 WeakPolarHBondContact CZ-OE1 3.39Å
484	T	91.2	Very high	95.6	Very high	68 Å²	68	14.7 Å²	14.7	42%	0.417	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.5	120.8	-179.6	-53.9	0	0	0	0	112.3	F360 R486 P491	F360-T484 WeakPolarHBondContact CD1-OG1 3.42Å; F360-T484 HydrophobicContact CE1-CG2 4.43Å; T484-R486 PolarHBondContact O-N 3.24Å; T484-P491 HydrophobicContact CG2-CB 3.76Å
485	G	91.9	Very high	95.5	Very high	18 Å²	18	14.9 Å²	14.9	19%	0.186	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.5	10.8	178.3	0	0	0	0	0	115.4	F483 N487 A489	F483-G485 PolarHBondContact O-N 2.98Å; G485-N487 PolarHBondContact O-N 3.31Å; G485-A489 WeakPolarHBondContact O-CA 3.42Å; G485-A489 PolarHBondContact O-N 3.02Å
486	R	92.8	Very high	95.5	Very high	17 Å²	17	14.9 Å²	14.9	6%	0.064	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-43.7	-176.7	174.5	59.1	178.2	-145.7	-4.8	113.2	C458 G460 F483 T484 D602 R678	C458-R486 PolarHBondContact O-NE 3.31Å; G460-R486 VanDerWaalsContact CA-O 3.22Å; G460-R486 WeakPolarHBondContact CA-O 3.12Å; G460-R486 PolarHBondContact N-O 3.4Å; F483-R486 HydrophobicContact CB-CB 4.43Å; F483-R486 WeakPolarHBondContact O-CB 3.41Å; F483-R486 PolarHBondContact O-N 2.72Å; T484-R486 PolarHBondContact O-N 3.24Å; R486-D602 IonicContact CZ-OD2 3.79Å; R486-D602 IonicContact NH1-OD1 3.07Å; R486-D602 PolarHBondContact NH1-OD1 3Å; R486-D602 IonicContact NH1-OD2 3.99Å; R486-D602 PolarHBondContact NH1-OD2 2.76Å; R486-R678 VanDerWaalsContact NH1-NH2 3.13Å
487	N	95.8	Very high	95.5	Very high	4 Å²	4	14.9 Å²	14.9	2%	0.021	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-27.7	-168.6	-59.1	103.6	0	0	0	114.4	P457 G460 I475 G485	P457-N487 VanDerWaalsContact O-CA 3.3Å; P457-N487 WeakPolarHBondContact O-CA 3.49Å; P457-N487 PolarHBondContact O-ND2 3.05Å; G460-N487 WeakPolarHBondContact CA-O 3.11Å; I475-N487 HydrophobicContact CD1-CB 3.89Å; G485-N487 PolarHBondContact O-N 3.31Å
488	D	95.5	Very high	95.5	Very high	20 Å²	20	14.9 Å²	14.9	11%	0.107	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-144.4	11.2	-170.2	62.6	-1.8	0	0	0	112.9	W462 R464 N490 T493	W462-D488 HydrophobicContact CE3-CB 4.15Å; W462-D488 HydrophobicContact CZ3-CB 4.41Å; R464-D488 HydrophobicContact CB-CB 4.32Å; R464-D488 IonicContact CZ-OD2 3.95Å; R464-D488 IonicContact NH1-OD2 3.19Å; R464-D488 PolarHBondContact NH1-OD2 2.75Å; D488-N490 PolarHBondContact O-N 2.86Å; D488-N490 WeakPolarHBondContact OD1-CB 3.49Å; D488-N490 PolarHBondContact OD1-N 3.13Å; D488-T493 WeakPolarHBondContact OD2-CB 3.36Å; D488-T493 PolarHBondContact OD2-OG1 3.49Å
489	A	92.6	Very high	95.5	Very high	44 Å²	44	14.9 Å²	14.9	36%	0.364	9%	0.093	S	C	.	.	S	Bend	trans	59.8	1.6	-170.6	0	0	0	0	0	114.9	K469 G485 P491	K469-A489 VanDerWaalsContact CE-O 3.29Å; K469-A489 WeakPolarHBondContact CE-O 3.39Å; K469-A489 PolarHBondContact NZ-O 3.41Å; G485-A489 WeakPolarHBondContact O-CA 3.42Å; G485-A489 PolarHBondContact O-N 3.02Å; A489-P491 VanDerWaalsContact O-CD 3.31Å; A489-P491 WeakPolarHBondContact O-CD 3.45Å
490	N	94.4	Very high	95.5	Very high	4 Å²	4	14.9 Å²	14.9	2%	0.021	9%	0.093	C	C	.	.			trans	-88.8	111.5	-176.9	-178.4	18.7	0	0	0	111.1	K469 G470 E471 N473 D488 A492 T493	K469-N490 HydrophobicContact CD-CB 4.33Å; G470-N490 WeakPolarHBondContact CA-OD1 3.39Å; G470-N490 PolarHBondContact N-OD1 3.4Å; E471-N490 PolarHBondContact O-ND2 2.92Å; N473-N490 PolarHBondContact ND2-ND2 2.97Å; D488-N490 PolarHBondContact O-N 2.86Å; D488-N490 WeakPolarHBondContact OD1-CB 3.49Å; D488-N490 PolarHBondContact OD1-N 3.13Å; N490-A492 PolarHBondContact O-N 3.37Å; N490-A492 VanDerWaalsContact O-N 3.1Å; N490-A492 PolarHBondContact OD1-N 3.03Å; N490-T493 PolarHBondContact ND2-OG1 2.67Å; N490-T493 WeakPolarHBondContact O-CB 3.47Å; N490-T493 PolarHBondContact O-N 2.77Å; N490-T493 VanDerWaalsContact O-N 3.11Å
491	P	91.7	Very high	95.7	Very high	58 Å²	58	15 Å²	15	38%	0.377	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-19.2	-179.7	-20	33.8	0	0	0	113.6	T484 A489 R494	T484-P491 HydrophobicContact CG2-CB 3.76Å; A489-P491 VanDerWaalsContact O-CD 3.31Å; A489-P491 WeakPolarHBondContact O-CD 3.45Å; P491-R494 PolarHBondContact O-NH1 3.24Å; P491-R494 VanDerWaalsContact O-NH1 3.07Å
492	A	95.5	Very high	95.9	Very high	14 Å²	14	14.9 Å²	14.9	12%	0.116	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-9.7	179.5	0	0	0	0	0	113.7	G470 E471 I472 N490 R494	G470-A492 VanDerWaalsContact O-CB 3.27Å; G470-A492 WeakPolarHBondContact O-CB 3.21Å; E471-A492 WeakPolarHBondContact O-CB 3.47Å; I472-A492 WeakPolarHBondContact CA-O 3.44Å; I472-A492 HydrophobicContact CG1-CB 4.11Å; N490-A492 PolarHBondContact O-N 3.37Å; N490-A492 VanDerWaalsContact O-N 3.1Å; N490-A492 PolarHBondContact OD1-N 3.03Å; A492-R494 VanDerWaalsContact CA-NH1 3.33Å; A492-R494 PolarHBondContact O-NH1 3.34Å
493	T	98	Very high	96.1	Very high	6 Å²	6	14.9 Å²	14.9	4%	0.037	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	135.3	175.4	-66.3	0	0	0	0	110.5	R464 N473 I475 D488 N490	R464-T493 PolarHBondContact NH1-OG1 2.77Å; N473-T493 PolarHBondContact ND2-OG1 2.78Å; I475-T493 HydrophobicContact CD1-CG2 3.78Å; I475-T493 HydrophobicContact CG1-CG2 3.76Å; I475-T493 HydrophobicContact CG2-CG2 4.21Å; D488-T493 WeakPolarHBondContact OD2-CB 3.36Å; D488-T493 PolarHBondContact OD2-OG1 3.49Å; N490-T493 PolarHBondContact ND2-OG1 2.67Å; N490-T493 WeakPolarHBondContact O-CB 3.47Å; N490-T493 PolarHBondContact O-N 2.77Å; N490-T493 VanDerWaalsContact O-N 3.11Å
494	R	98.1	Very high	96.4	Very high	42 Å²	42	14.4 Å²	14.4	16%	0.158	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	105.6	174.2	-55	-55.8	173.6	-115.5	4.7	108.3	P359 N473 T474 I475 P491 A492 F496	P359-R494 HydrophobicContact CB-CB 3.62Å; P359-R494 HydrophobicContact CB-CG 4.34Å; P359-R494 HydrophobicContact CG-CB 4.33Å; N473-R494 PolarHBondContact O-N 3.14Å; T474-R494 WeakPolarHBondContact CA-O 3.07Å; I475-R494 PolarHBondContact N-O 3.23Å; P491-R494 PolarHBondContact O-NH1 3.24Å; P491-R494 VanDerWaalsContact O-NH1 3.07Å; A492-R494 VanDerWaalsContact CA-NH1 3.33Å; A492-R494 PolarHBondContact O-NH1 3.34Å; R494-F496 HydrophobicContact CB-CE2 4.25Å
495	A	98.4	Very high	96.7	Very high	4 Å²	4	11.1 Å²	11.1	3%	0.033	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	122.1	-173.1	0	0	0	0	0	110.8	P359 I475 N482	P359-A495 CarbonylContact C-O 3.54Å; P359-A495 VanDerWaalsContact CA-O 3.25Å; P359-A495 WeakPolarHBondContact CA-O 3.39Å; P359-A495 PolarHBondContact O-N 3.07Å; P359-A495 VanDerWaalsContact O-O 3.05Å; I475-A495 HydrophobicContact CD1-CB 3.96Å; I475-A495 HydrophobicContact CG1-CB 3.72Å; I475-A495 WeakPolarHBondContact O-CA 3.13Å; N482-A495 HydrophobicContact CB-CB 3.77Å; N482-A495 WeakPolarHBondContact CB-O 3.46Å; N482-A495 PolarHBondContact ND2-O 2.8Å
496	F	98.7	Very high	97.1	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	139.8	173.6	-62.9	-92.8	0	0	0	110.5	L356 N357 P359 I371 Y380 T474 I475 V476 T477 R494 L512	L356-F496 HydrophobicContact CB-CB 4.41Å; L356-F496 HydrophobicContact CD2-CB 4.09Å; N357-F496 CarbonylContact O-C 3.47Å; N357-F496 VanDerWaalsContact O-CA 3.31Å; N357-F496 WeakPolarHBondContact O-CA 3.46Å; P359-F496 HydrophobicContact CB-CE1 4.17Å; P359-F496 HydrophobicContact CB-CE2 3.91Å; P359-F496 HydrophobicContact CB-CZ 3.72Å; P359-F496 HydrophobicContact CG-CZ 4.2Å; I371-F496 HydrophobicContact CD1-CD1 4.01Å; I371-F496 HydrophobicContact CD1-CE1 3.61Å; I371-F496 HydrophobicContact CD1-CZ 4.25Å; Y380-F496 AromaticContact CD2-CZ 3.85Å; Y380-F496 HydrophobicContact CD2-CZ 3.85Å; Y380-F496 HydrophobicContact CE2-CZ 4.33Å; T474-F496 HydrophobicContact CG2-CD2 3.96Å; T474-F496 HydrophobicContact CG2-CE2 4.02Å; I475-F496 PolarHBondContact O-N 3.07Å; V476-F496 CarbonylContact C-O 3.58Å; V476-F496 WeakPolarHBondContact CA-O 3.39Å; V476-F496 HydrophobicContact CG1-CB 4.26Å; T477-F496 PolarHBondContact N-O 3.13Å; R494-F496 HydrophobicContact CB-CE2 4.25Å; F496-L512 HydrophobicContact CD2-CD1 3.96Å; F496-L512 HydrophobicContact CD2-CD2 4.06Å; F496-L512 HydrophobicContact CE2-CD1 4.27Å; F496-L512 HydrophobicContact CE2-CD2 3.51Å; F496-L512 HydrophobicContact CG-CD1 4.21Å; F496-L512 HydrophobicContact CZ-CD2 3.77Å
497	V	98.7	Very high	97.3	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	133.9	177.1	-69	0	0	0	0	110.6	L256 L356 N357 T477 N482	L256-V497 HydrophobicContact CD2-CG2 3.98Å; L356-V497 WeakPolarHBondContact CA-O 3.29Å; N357-V497 HydrophobicContact CB-CG2 4.01Å; N357-V497 PolarHBondContact N-O 2.9Å; N357-V497 WeakPolarHBondContact O-CG2 3.22Å; N357-V497 PolarHBondContact O-N 3.27Å; T477-V497 CarbonylContact O-C 3.51Å; T477-V497 VanDerWaalsContact O-CA 3.28Å; T477-V497 WeakPolarHBondContact O-CA 3.37Å; N482-V497 HydrophobicContact CB-CG1 4.13Å
498	S	98.6	Very high	97.4	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	6%	0.059	C	C	.	.			trans	-155.1	-171.2	-176.8	-166.5	0	0	0	0	112.5	K252 R355 T477 S478 L502	K252-S498 WeakPolarHBondContact CE-O 3.39Å; K252-S498 PolarHBondContact NZ-O 3.43Å; R355-S498 WeakPolarHBondContact O-CB 3.4Å; R355-S498 PolarHBondContact O-OG 3.27Å; T477-S498 PolarHBondContact O-N 3.04Å; S478-S498 VanDerWaalsContact CA-O 3.24Å; S478-S498 WeakPolarHBondContact CA-O 3.13Å; S498-L502 VanDerWaalsContact OG-CD2 3.25Å; S498-L502 WeakPolarHBondContact OG-CD2 3.34Å
499	S	98.7	Very high	97.6	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	6%	0.057	C	C	.	.			trans	-75	152.1	173.5	65.1	0	0	0	0	111.7	S250 E501 L502 V503	S250-S499 WeakPolarHBondContact OG-CB 3.27Å; S499-E501 VanDerWaalsContact C-N 3.33Å; S499-E501 PolarHBondContact O-N 3.36Å; S499-L502 PolarHBondContact O-N 3.14Å; S499-L502 WeakPolarHBondContact OG-CB 3.19Å; S499-V503 VanDerWaalsContact O-CG2 3.26Å; S499-V503 WeakPolarHBondContact O-CG2 3.5Å; S499-V503 PolarHBondContact O-N 3.24Å
500	P	98.7	Very high	97.9	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-63.4	-36.1	-176.8	25.4	-33.3	0	0	0	112.8	I389 N394 D399 A403 T504	I389-P500 HydrophobicContact CB-CB 4Å; I389-P500 HydrophobicContact CG2-CB 3.93Å; I389-P500 WeakPolarHBondContact CG2-O 3.43Å; N394-P500 HydrophobicContact CB-CG 4.04Å; D399-P500 HydrophobicContact CB-CG 3.8Å; A403-P500 HydrophobicContact CB-CB 4.29Å; P500-T504 WeakPolarHBondContact O-CB 3.5Å; P500-T504 PolarHBondContact O-N 2.87Å; P500-T504 PolarHBondContact O-OG1 3Å
501	E	98.4	Very high	98	Very high	2 Å²	2	11.3 Å²	11.3	1%	0.009	6%	0.06	C	C	.	.	H	α-helix	trans	-62.1	-40.7	173.3	55.9	-95.3	-130.3	0	0	112.8	S250 R402 I406 S499 T504 A505 P534	S250-E501 VanDerWaalsContact CB-OE1 3.29Å; S250-E501 WeakPolarHBondContact CB-OE1 3.38Å; R402-E501 IonicContact CZ-OE1 3.99Å; R402-E501 IonicContact NE-OE1 3.83Å; R402-E501 PolarHBondContact NE-OE1 2.96Å; R402-E501 IonicContact NE-OE2 2.71Å; R402-E501 IonicContact NH2-OE1 2.94Å; R402-E501 PolarHBondContact NH2-OE1 3.2Å; I406-E501 HydrophobicContact CG1-CB 4.33Å; S499-E501 VanDerWaalsContact C-N 3.33Å; S499-E501 PolarHBondContact O-N 3.36Å; E501-T504 WeakPolarHBondContact O-CB 3.19Å; E501-T504 PolarHBondContact O-N 3.04Å; E501-A505 PolarHBondContact O-N 2.92Å; E501-P534 HydrophobicContact CB-CB 4.14Å; E501-P534 HydrophobicContact CB-CG 3.89Å; E501-P534 HydrophobicContact CG-CG 3.94Å
502	L	98.4	Very high	98.4	Very high	1 Å²	1	8.5 Å²	8.5	1%	0.005	4%	0.042	C	C	.	.	H	α-helix	trans	-74.7	-40	-178.5	-167.1	57.2	0	0	0	110.8	W248 P354 L356 I368 S498 S499 T504 A505 I506 P516	W248-L502 HydrophobicContact CE3-CD1 4.48Å; P354-L502 HydrophobicContact CB-CD2 4.05Å; L356-L502 HydrophobicContact CD1-CD2 3.79Å; L356-L502 HydrophobicContact CG-CD2 4.29Å; I368-L502 HydrophobicContact CD1-CD1 3.83Å; I368-L502 HydrophobicContact CD1-CD2 4.02Å; I368-L502 HydrophobicContact CD1-CG 4.27Å; I368-L502 HydrophobicContact CG1-CD1 4.11Å; I368-L502 HydrophobicContact CG1-CD2 4.41Å; S498-L502 VanDerWaalsContact OG-CD2 3.25Å; S498-L502 WeakPolarHBondContact OG-CD2 3.34Å; S499-L502 PolarHBondContact O-N 3.14Å; S499-L502 WeakPolarHBondContact OG-CB 3.19Å; L502-T504 VanDerWaalsContact C-N 3.26Å; L502-T504 PolarHBondContact O-N 3.24Å; L502-A505 PolarHBondContact O-N 3.03Å; L502-I506 HydrophobicContact CG-CD1 4.06Å; L502-I506 WeakPolarHBondContact O-CB 3.41Å; L502-I506 WeakPolarHBondContact O-CG1 3.41Å; L502-I506 PolarHBondContact O-N 3.28Å; L502-P516 HydrophobicContact CD1-CG 3.58Å
503	V	98.8	Very high	98.5	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-57.6	-41.3	170.3	169	0	0	0	0	110.9	A387 I389 V476 T477 S499 G507	A387-V503 HydrophobicContact CB-CG1 3.98Å; I389-V503 HydrophobicContact CG2-CB 3.77Å; I389-V503 HydrophobicContact CG2-CG1 3.39Å; V476-V503 HydrophobicContact CG2-CG1 4.16Å; T477-V503 VanDerWaalsContact C-CG2 3.45Å; T477-V503 WeakPolarHBondContact O-CG2 3.5Å; S499-V503 VanDerWaalsContact O-CG2 3.26Å; S499-V503 WeakPolarHBondContact O-CG2 3.5Å; S499-V503 PolarHBondContact O-N 3.24Å; V503-G507 PolarHBondContact O-N 3.02Å
504	T	98.8	Very high	98.5	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-64.6	-47.5	176.4	-55.8	0	0	0	0	111.4	A403 I406 F417 F421 P500 E501 L502 I506 G507 L508	A403-T504 WeakPolarHBondContact CB-OG1 3.12Å; I406-T504 HydrophobicContact CB-CG2 4.06Å; I406-T504 HydrophobicContact CG2-CG2 3.98Å; F417-T504 HydrophobicContact CE1-CG2 3.8Å; F417-T504 HydrophobicContact CZ-CG2 3.87Å; F421-T504 HydrophobicContact CE2-CG2 4.31Å; F421-T504 HydrophobicContact CZ-CG2 4.08Å; F421-T504 WeakPolarHBondContact CZ-OG1 3.42Å; P500-T504 WeakPolarHBondContact O-CB 3.5Å; P500-T504 PolarHBondContact O-N 2.87Å; P500-T504 PolarHBondContact O-OG1 3Å; E501-T504 WeakPolarHBondContact O-CB 3.19Å; E501-T504 PolarHBondContact O-N 3.04Å; L502-T504 VanDerWaalsContact C-N 3.26Å; L502-T504 PolarHBondContact O-N 3.24Å; T504-I506 PolarHBondContact O-N 3.17Å; T504-G507 PolarHBondContact O-N 3.43Å; T504-L508 WeakPolarHBondContact O-CG 3.36Å; T504-L508 PolarHBondContact O-N 3.01Å
505	A	98.7	Very high	98.5	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-61	-44.2	177.6	0	0	0	0	0	112.5	W248 I406 E501 L502 L508 A509 F514 P516 L531	W248-A505 HydrophobicContact CH2-CB 4.04Å; W248-A505 HydrophobicContact CZ3-CB 3.95Å; I406-A505 HydrophobicContact CG2-CB 4.28Å; E501-A505 PolarHBondContact O-N 2.92Å; L502-A505 PolarHBondContact O-N 3.03Å; A505-L508 WeakPolarHBondContact O-CB 3.39Å; A505-L508 PolarHBondContact O-N 3.39Å; A505-A509 PolarHBondContact O-N 2.95Å; A505-A509 VanDerWaalsContact O-N 3.11Å; A505-F514 HydrophobicContact CB-CE1 4.28Å; A505-P516 HydrophobicContact CB-CB 4.19Å; A505-P516 HydrophobicContact CB-CG 4.28Å; A505-L531 HydrophobicContact CB-CD1 3.77Å
506	I	98.7	Very high	98.5	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-66.5	-41.4	177.2	-70.9	170	0	0	0	111.2	L356 I368 V384 V476 L502 T504 L508 A509 G510	L356-I506 HydrophobicContact CD1-CD1 4.21Å; L356-I506 HydrophobicContact CD2-CD1 3.65Å; L356-I506 HydrophobicContact CG-CD1 4.5Å; I368-I506 HydrophobicContact CD1-CD1 4.4Å; V384-I506 HydrophobicContact CB-CG2 4.43Å; V384-I506 HydrophobicContact CG1-CG2 4.4Å; V384-I506 HydrophobicContact CG2-CG2 3.76Å; V476-I506 HydrophobicContact CG1-CG2 4.1Å; V476-I506 HydrophobicContact CG2-CB 4.42Å; V476-I506 HydrophobicContact CG2-CG2 3.89Å; L502-I506 HydrophobicContact CG-CD1 4.06Å; L502-I506 WeakPolarHBondContact O-CB 3.41Å; L502-I506 WeakPolarHBondContact O-CG1 3.41Å; L502-I506 PolarHBondContact O-N 3.28Å; T504-I506 PolarHBondContact O-N 3.17Å; I506-L508 VanDerWaalsContact C-N 3.3Å; I506-L508 PolarHBondContact O-N 3.17Å; I506-A509 CarbonylContact O-C 3.44Å; I506-A509 PolarHBondContact O-N 2.98Å; I506-A509 VanDerWaalsContact O-N 3.16Å; I506-G510 PolarHBondContact O-N 3.45Å
507	G	98.5	Very high	98.3	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-63.1	-34.2	176.1	0	0	0	0	0	113.4	K418 S419 V503 T504	K418-G507 PolarHBondContact N-O 3.09Å; K418-G507 VanDerWaalsContact N-O 3.09Å; S419-G507 PolarHBondContact N-O 2.95Å; S419-G507 VanDerWaalsContact N-O 3.12Å; V503-G507 PolarHBondContact O-N 3.02Å; T504-G507 PolarHBondContact O-N 3.43Å
508	L	98.4	Very high	98.2	Very high	4 Å²	4	14.8 Å²	14.8	2%	0.021	7%	0.067	C	C	.	.	H	α-helix	trans	-66.1	-42.6	172.1	-76.7	167.1	0	0	0	111.5	I406 A410 F417 K418 I446 T504 A505 I506 G510 L521	I406-L508 HydrophobicContact CG2-CD1 3.72Å; A410-L508 HydrophobicContact CB-CD1 3.67Å; A410-L508 HydrophobicContact CB-CD2 3.53Å; A410-L508 HydrophobicContact CB-CG 4.25Å; F417-L508 HydrophobicContact CD1-CB 4.46Å; F417-L508 HydrophobicContact CD1-CD2 3.76Å; F417-L508 HydrophobicContact CD1-CG 3.76Å; F417-L508 HydrophobicContact CE1-CD2 3.93Å; F417-L508 HydrophobicContact CE1-CG 3.69Å; F417-L508 HydrophobicContact CG-CD2 4.27Å; K418-L508 WeakPolarHBondContact CG-O 3.36Å; I446-L508 HydrophobicContact CD1-CD2 3.93Å; T504-L508 WeakPolarHBondContact O-CG 3.36Å; T504-L508 PolarHBondContact O-N 3.01Å; A505-L508 WeakPolarHBondContact O-CB 3.39Å; A505-L508 PolarHBondContact O-N 3.39Å; I506-L508 VanDerWaalsContact C-N 3.3Å; I506-L508 PolarHBondContact O-N 3.17Å; L508-G510 VanDerWaalsContact C-N 3.35Å; L508-L521 HydrophobicContact CB-CD1 4.15Å
509	A	98.3	Very high	98.2	Very high	6 Å²	6	16.3 Å²	16.3	5%	0.05	8%	0.076	C	C	.	.	H	α-helix	trans	-73.4	-27.1	178.9	0	0	0	0	0	113.3	K418 A505 I506 R511 F514 L521	K418-A509 VanDerWaalsContact CD-O 3.3Å; K418-A509 WeakPolarHBondContact CD-O 3.47Å; A505-A509 PolarHBondContact O-N 2.95Å; A505-A509 VanDerWaalsContact O-N 3.11Å; I506-A509 CarbonylContact O-C 3.44Å; I506-A509 PolarHBondContact O-N 2.98Å; I506-A509 VanDerWaalsContact O-N 3.16Å; A509-R511 HydrophobicContact CB-CG 4.21Å; A509-R511 PolarHBondContact O-N 2.91Å; A509-F514 HydrophobicContact CB-CB 3.42Å; A509-F514 VanDerWaalsContact CB-CB 3.42Å; A509-F514 HydrophobicContact CB-CD1 3.51Å; A509-F514 HydrophobicContact CB-CD2 3.57Å; A509-F514 HydrophobicContact CB-CE1 4.1Å; A509-F514 HydrophobicContact CB-CE2 4.15Å; A509-F514 HydrophobicContact CB-CG 3.19Å; A509-F514 HydrophobicContact CB-CZ 4.4Å; A509-L521 HydrophobicContact CB-CD2 3.89Å
510	G	98.3	Very high	98.2	Very high	11 Å²	11	23.2 Å²	23.2	11%	0.113	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.9	11.6	-177.1	0	0	0	0	0	114.2	V384 I506 L508	V384-G510 PolarHBondContact N-O 3.28Å; I506-G510 PolarHBondContact O-N 3.45Å; L508-G510 VanDerWaalsContact C-N 3.35Å
511	R	98.3	Very high	98.1	Very high	89 Å²	89	23.8 Å²	23.8	34%	0.336	11%	0.106	S	C	.	.	B	Isolated β-bridge	trans	-141.5	137.5	-173.5	73.3	-175.6	-151.7	114.7	5	112.2	L382 A509 D513 F514 D519	L382-R511 CarbonylContact O-C 3.57Å; L382-R511 WeakPolarHBondContact O-CA 3.44Å; A509-R511 HydrophobicContact CB-CG 4.21Å; A509-R511 PolarHBondContact O-N 2.91Å; R511-D513 VanDerWaalsContact C-N 3.28Å; R511-D513 WeakPolarHBondContact CD-OD1 3.27Å; R511-D513 WeakPolarHBondContact CG-OD1 3.38Å; R511-D513 IonicContact CZ-OD1 3.59Å; R511-D513 IonicContact CZ-OD2 3.79Å; R511-D513 IonicContact NE-OD1 2.8Å; R511-D513 IonicContact NH1-OD1 3.46Å; R511-D513 PolarHBondContact NH1-OD1 2.66Å; R511-D513 IonicContact NH1-OD2 3.96Å; R511-D513 PolarHBondContact NH1-OD2 3.14Å; R511-D513 PolarHBondContact NH2-O 3.06Å; R511-D513 PolarHBondContact O-N 2.78Å; R511-F514 HydrophobicContact CG-CB 3.72Å; R511-F514 WeakPolarHBondContact O-CB 3.21Å; R511-F514 PolarHBondContact O-N 3.05Å; R511-D519 IonicContact CZ-OD2 3.41Å; R511-D519 IonicContact NH2-OD2 3.27Å; R511-D519 PolarHBondContact NH2-OD2 3.11Å
512	L	98.6	Very high	97.9	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-28.1	-175.7	-178.7	63.3	0	0	0	112.6	L356 I371 A375 L382 V384 T474 V476 F496 F514	L356-L512 HydrophobicContact CD2-CD1 4.26Å; I371-L512 HydrophobicContact CD1-CD2 4.41Å; I371-L512 HydrophobicContact CG1-CD1 4.03Å; I371-L512 HydrophobicContact CG1-CD2 4.21Å; I371-L512 HydrophobicContact CG1-CG 3.91Å; A375-L512 HydrophobicContact CB-CD2 3.85Å; L382-L512 PolarHBondContact O-N 3.23Å; V384-L512 HydrophobicContact CG2-CB 4.01Å; T474-L512 HydrophobicContact CG2-CD1 4.48Å; T474-L512 HydrophobicContact CG2-CD2 4.22Å; V476-L512 HydrophobicContact CG1-CD1 3.91Å; F496-L512 HydrophobicContact CD2-CD1 3.96Å; F496-L512 HydrophobicContact CD2-CD2 4.06Å; F496-L512 HydrophobicContact CE2-CD1 4.27Å; F496-L512 HydrophobicContact CE2-CD2 3.51Å; F496-L512 HydrophobicContact CG-CD1 4.21Å; F496-L512 HydrophobicContact CZ-CD2 3.77Å; L512-F514 VanDerWaalsContact C-N 3.29Å; L512-F514 PolarHBondContact O-N 2.68Å
513	D	98	Very high	97.6	Very high	19 Å²	19	26.9 Å²	26.9	10%	0.102	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	15.3	-179.5	68.2	-30.4	0	0	0	113.7	R376 L382 R511	R376-D513 IonicContact CZ-OD2 3.55Å; R376-D513 IonicContact NH1-OD2 3.07Å; R376-D513 PolarHBondContact NH1-OD2 3.13Å; L382-D513 HydrophobicContact CD2-CB 4.06Å; R511-D513 VanDerWaalsContact C-N 3.28Å; R511-D513 WeakPolarHBondContact CD-OD1 3.27Å; R511-D513 WeakPolarHBondContact CG-OD1 3.38Å; R511-D513 IonicContact CZ-OD1 3.59Å; R511-D513 IonicContact CZ-OD2 3.79Å; R511-D513 IonicContact NE-OD1 2.8Å; R511-D513 IonicContact NH1-OD1 3.46Å; R511-D513 PolarHBondContact NH1-OD1 2.66Å; R511-D513 IonicContact NH1-OD2 3.96Å; R511-D513 PolarHBondContact NH1-OD2 3.14Å; R511-D513 PolarHBondContact NH2-O 3.06Å; R511-D513 PolarHBondContact O-N 2.78Å
514	F	98.4	Very high	97	Very high	4 Å²	4	31.4 Å²	31.4	2%	0.018	16%	0.157	C	C	.	.			trans	-77.9	120.9	171.6	179.3	-105.8	0	0	0	110.8	A505 A509 R511 L512 P516 D519 L521 L531	A505-F514 HydrophobicContact CB-CE1 4.28Å; A509-F514 HydrophobicContact CB-CB 3.42Å; A509-F514 VanDerWaalsContact CB-CB 3.42Å; A509-F514 HydrophobicContact CB-CD1 3.51Å; A509-F514 HydrophobicContact CB-CD2 3.57Å; A509-F514 HydrophobicContact CB-CE1 4.1Å; A509-F514 HydrophobicContact CB-CE2 4.15Å; A509-F514 HydrophobicContact CB-CG 3.19Å; A509-F514 HydrophobicContact CB-CZ 4.4Å; R511-F514 HydrophobicContact CG-CB 3.72Å; R511-F514 WeakPolarHBondContact O-CB 3.21Å; R511-F514 PolarHBondContact O-N 3.05Å; L512-F514 VanDerWaalsContact C-N 3.29Å; L512-F514 PolarHBondContact O-N 2.68Å; F514-P516 HydrophobicContact CE1-CB 3.88Å; F514-P516 HydrophobicContact CZ-CB 4.49Å; F514-D519 WeakPolarHBondContact CA-OD2 3.43Å; F514-D519 HydrophobicContact CD2-CB 3.59Å; F514-D519 HydrophobicContact CE2-CB 3.44Å; F514-D519 VanDerWaalsContact CE2-CB 3.44Å; F514-D519 HydrophobicContact CZ-CB 4.31Å; F514-L521 HydrophobicContact CD2-CD2 4.44Å; F514-L521 HydrophobicContact CE1-CD2 4.47Å; F514-L521 HydrophobicContact CE2-CD2 3.74Å; F514-L521 HydrophobicContact CE2-CG 4.1Å; F514-L521 HydrophobicContact CZ-CD1 4.48Å; F514-L521 HydrophobicContact CZ-CD2 3.76Å; F514-L521 HydrophobicContact CZ-CG 3.8Å; F514-L531 HydrophobicContact CE1-CD1 4.05Å; F514-L531 HydrophobicContact CZ-CD1 4.27Å
515	D	98	Very high	96.6	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.192	C	C	.	.			trans	-109.2	102.4	177.5	179.2	-8.4	0	0	0	110.1	I368 H369 T517 R518 D519	I368-D515 HydrophobicContact CG1-CB 4.23Å; H369-D515 IonicContact CE1-OD2 3.11Å; H369-D515 IonicContact CG-OD2 3.69Å; H369-D515 IonicContact ND1-OD1 3.98Å; H369-D515 IonicContact ND1-OD2 3.37Å; H369-D515 PolarHBondContact ND1-OD2 2.88Å; D515-T517 VanDerWaalsContact CG-OG1 3.25Å; D515-T517 PolarHBondContact O-N 2.64Å; D515-T517 VanDerWaalsContact OD1-CB 3.29Å; D515-T517 WeakPolarHBondContact OD1-CB 3.13Å; D515-T517 WeakPolarHBondContact OD1-CG2 3.29Å; D515-T517 PolarHBondContact OD1-N 3.11Å; D515-T517 PolarHBondContact OD1-OG1 2.86Å; D515-T517 PolarHBondContact OD2-OG1 3.33Å; D515-R518 HydrophobicContact CB-CG 3.9Å; D515-R518 PolarHBondContact O-N 2.93Å; D515-R518 WeakPolarHBondContact OD2-CD 3.48Å; D515-R518 IonicContact OD2-CZ 3.23Å; D515-R518 IonicContact OD2-NE 3.85Å; D515-R518 PolarHBondContact OD2-NE 3.23Å; D515-R518 VanDerWaalsContact OD2-NE 3.11Å; D515-R518 IonicContact OD2-NH1 3.14Å; D515-R518 IonicContact OD2-NH2 2.66Å; D515-D519 PolarHBondContact N-OD2 3.1Å; D515-D519 VanDerWaalsContact O-CB 3.27Å; D515-D519 WeakPolarHBondContact O-CB 3.27Å; D515-D519 PolarHBondContact O-N 3.36Å
516	P	97.7	Very high	96.3	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.006	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-13.9	-176.4	29.1	-36.3	0	0	0	113.6	W248 L502 A505 F514 R518 L531	W248-P516 HydrophobicContact CD2-CB 4.35Å; W248-P516 HydrophobicContact CD2-CG 4.02Å; W248-P516 HydrophobicContact CE3-CB 4.4Å; W248-P516 HydrophobicContact CE3-CG 3.92Å; W248-P516 HydrophobicContact CH2-CB 3.57Å; W248-P516 HydrophobicContact CH2-CG 3.96Å; W248-P516 HydrophobicContact CZ2-CB 3.5Å; W248-P516 HydrophobicContact CZ2-CG 4.07Å; W248-P516 HydrophobicContact CZ3-CB 4.03Å; W248-P516 HydrophobicContact CZ3-CG 3.88Å; L502-P516 HydrophobicContact CD1-CG 3.58Å; A505-P516 HydrophobicContact CB-CB 4.19Å; A505-P516 HydrophobicContact CB-CG 4.28Å; F514-P516 HydrophobicContact CE1-CB 3.88Å; F514-P516 HydrophobicContact CZ-CB 4.49Å; P516-R518 VanDerWaalsContact C-N 3.27Å; P516-R518 PolarHBondContact O-N 3.23Å; P516-L531 HydrophobicContact CB-CD1 4.43Å
517	T	96.3	Very high	96.1	Very high	44 Å²	44	44.8 Å²	44.8	27%	0.27	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-13.6	176.6	75.6	0	0	0	0	113	W248 I368 H369 D515 K530	W248-T517 HydrophobicContact CG-CG2 4.41Å; I368-T517 HydrophobicContact CG2-CG2 4.4Å; H369-T517 PolarHBondContact CE1-OG1 2.93Å; H369-T517 VanDerWaalsContact CE1-OG1 3.23Å; D515-T517 VanDerWaalsContact CG-OG1 3.25Å; D515-T517 PolarHBondContact O-N 2.64Å; D515-T517 VanDerWaalsContact OD1-CB 3.29Å; D515-T517 WeakPolarHBondContact OD1-CB 3.13Å; D515-T517 WeakPolarHBondContact OD1-CG2 3.29Å; D515-T517 PolarHBondContact OD1-N 3.11Å; D515-T517 PolarHBondContact OD1-OG1 2.86Å; D515-T517 PolarHBondContact OD2-OG1 3.33Å; T517-K530 WeakPolarHBondContact O-CE 3.48Å; T517-K530 PolarHBondContact O-NZ 2.77Å
518	R	96.1	Very high	96.1	Very high	129 Å²	129	51 Å²	51	49%	0.487	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-141.8	-30	-177.4	68.4	-174.3	179.7	-161.2	-12.9	115	H369 D515 P516	H369-R518 PolarHBondContact O-NH2 2.83Å; D515-R518 HydrophobicContact CB-CG 3.9Å; D515-R518 PolarHBondContact O-N 2.93Å; D515-R518 WeakPolarHBondContact OD2-CD 3.48Å; D515-R518 IonicContact OD2-CZ 3.23Å; D515-R518 IonicContact OD2-NE 3.85Å; D515-R518 PolarHBondContact OD2-NE 3.23Å; D515-R518 VanDerWaalsContact OD2-NE 3.11Å; D515-R518 IonicContact OD2-NH1 3.14Å; D515-R518 IonicContact OD2-NH2 2.66Å; P516-R518 VanDerWaalsContact C-N 3.27Å; P516-R518 PolarHBondContact O-N 3.23Å
519	D	97.9	Very high	96	Very high	33 Å²	33	51.5 Å²	51.5	18%	0.176	27%	0.269	C	S	.	.			trans	-81.3	160	-173.7	-69.1	-8.3	0	0	0	112.6	R511 F514 D515	R511-D519 IonicContact CZ-OD2 3.41Å; R511-D519 IonicContact NH2-OD2 3.27Å; R511-D519 PolarHBondContact NH2-OD2 3.11Å; F514-D519 WeakPolarHBondContact CA-OD2 3.43Å; F514-D519 HydrophobicContact CD2-CB 3.59Å; F514-D519 HydrophobicContact CE2-CB 3.44Å; F514-D519 VanDerWaalsContact CE2-CB 3.44Å; F514-D519 HydrophobicContact CZ-CB 4.31Å; D515-D519 PolarHBondContact N-OD2 3.1Å; D515-D519 VanDerWaalsContact O-CB 3.27Å; D515-D519 WeakPolarHBondContact O-CB 3.27Å; D515-D519 PolarHBondContact O-N 3.36Å
520	Y	98	Very high	96	Very high	145 Å²	145	55.5 Å²	55.5	57%	0.569	29%	0.286	S	S	*	.			trans	-110.7	139.4	176.6	-65.1	-100.3	0	0	0	111	K528 F529 K530	Y520-K528 HydrophobicContact CD1-CB 4.11Å; Y520-K528 HydrophobicContact CG-CB 4.38Å; Y520-F529 CarbonylContact C-O 3.55Å; Y520-F529 WeakPolarHBondContact CA-O 3.17Å; Y520-K530 HydrophobicContact CD1-CB 4.09Å; Y520-K530 HydrophobicContact CE1-CB 4.12Å
521	L	97.4	Very high	96	Very high	11 Å²	11	55.1 Å²	55.1	6%	0.058	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	164.3	161.8	-67.7	179.4	0	0	0	110.2	L508 A509 F514 K528 F529 L531	L508-L521 HydrophobicContact CB-CD1 4.15Å; A509-L521 HydrophobicContact CB-CD2 3.89Å; F514-L521 HydrophobicContact CD2-CD2 4.44Å; F514-L521 HydrophobicContact CE1-CD2 4.47Å; F514-L521 HydrophobicContact CE2-CD2 3.74Å; F514-L521 HydrophobicContact CE2-CG 4.1Å; F514-L521 HydrophobicContact CZ-CD1 4.48Å; F514-L521 HydrophobicContact CZ-CD2 3.76Å; F514-L521 HydrophobicContact CZ-CG 3.8Å; L521-K528 VanDerWaalsContact O-CA 3.32Å; L521-K528 WeakPolarHBondContact O-CA 3.17Å; L521-F529 HydrophobicContact CB-CD1 4.18Å; L521-F529 HydrophobicContact CB-CE1 3.58Å; L521-F529 HydrophobicContact CB-CE2 4.22Å; L521-F529 HydrophobicContact CB-CZ 3.61Å; L521-F529 HydrophobicContact CD1-CE2 4.2Å; L521-F529 HydrophobicContact CD1-CZ 3.85Å; L521-F529 HydrophobicContact CG-CZ 4.37Å; L521-F529 PolarHBondContact N-O 3.07Å; L521-F529 PolarHBondContact O-N 2.87Å; L521-L531 HydrophobicContact CD1-CD1 3.97Å; L521-L531 HydrophobicContact CD1-CD2 4.14Å; L521-L531 HydrophobicContact CD1-CG 3.99Å
522	T	95.1	Very high	95.9	Very high	59 Å²	59	55.9 Å²	55.9	36%	0.362	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	123.8	176.6	-46.9	0	0	0	0	108.4	C415 E527 K528	C415-T522 PolarHBondContact SG-O 2.83Å; T522-E527 CarbonylContact C-O 3.52Å; T522-E527 WeakPolarHBondContact CA-O 3.44Å; T522-K528 HydrophobicContact CG2-CD 4.38Å; T522-K528 WeakPolarHBondContact OG1-CD 3.41Å; T522-K528 WeakPolarHBondContact OG1-CE 3.38Å; T522-K528 PolarHBondContact OG1-NZ 3.02Å
523	S	91.8	Very high	95.9	Very high	9 Å²	9	58.9 Å²	58.9	6%	0.063	31%	0.31	C	S	.	.			trans	-66	168.8	177.5	75.5	0	0	0	0	111.6	H413 T525 G526 E527	H413-S523 VanDerWaalsContact O-CB 3.26Å; H413-S523 WeakPolarHBondContact O-CB 3.17Å; S523-T525 PolarHBondContact O-N 3.46Å; S523-T525 PolarHBondContact OG-N 2.7Å; S523-T525 VanDerWaalsContact OG-N 3.12Å; S523-T525 PolarHBondContact OG-OG1 2.8Å; S523-G526 PolarHBondContact O-N 2.82Å; S523-G526 PolarHBondContact OG-N 3.48Å; S523-E527 PolarHBondContact N-O 2.86Å; S523-E527 WeakPolarHBondContact OG-CB 3.21Å; S523-E527 PolarHBondContact OG-N 2.96Å; S523-E527 PolarHBondContact OG-O 3.27Å
524	S	86.4	Confident	95.9	Very high	95 Å²	95	58.5 Å²	58.5	66%	0.664	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-20.6	169.7	54.5	0	0	0	0	113.5	H413	H413-S524 PolarHBondContact O-N 3.31Å
525	T	90.3	Very high	95.6	Very high	119 Å²	119	63.7 Å²	63.7	73%	0.73	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-2.4	176	60.4	0	0	0	0	113.5	S523	S523-T525 PolarHBondContact O-N 3.46Å; S523-T525 PolarHBondContact OG-N 2.7Å; S523-T525 VanDerWaalsContact OG-N 3.12Å; S523-T525 PolarHBondContact OG-OG1 2.8Å
526	G	92.6	Very high	95.4	Very high	47 Å²	47	64.8 Å²	64.8	49%	0.485	35%	0.348	S	S	.	.	S	Bend	trans	89.8	-3.6	-177.9	0	0	0	0	0	115.1	S523	S523-G526 PolarHBondContact O-N 2.82Å; S523-G526 PolarHBondContact OG-N 3.48Å
527	E	94.8	Very high	95.4	Very high	115 Å²	115	70.5 Å²	70.5	54%	0.537	37%	0.373	S	S	.	.			trans	-66.9	138	176.5	-176.6	-179.9	-171.2	0	0	111.2	T522 S523	T522-E527 CarbonylContact C-O 3.52Å; T522-E527 WeakPolarHBondContact CA-O 3.44Å; S523-E527 PolarHBondContact N-O 2.86Å; S523-E527 WeakPolarHBondContact OG-CB 3.21Å; S523-E527 PolarHBondContact OG-N 2.96Å; S523-E527 PolarHBondContact OG-O 3.27Å
528	K	97	Very high	95.4	Very high	132 Å²	132	70.2 Å²	70.2	57%	0.574	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.2	128.4	173	-63.2	-65.4	-175.1	175.8	0	109.6	Y520 L521 T522	Y520-K528 HydrophobicContact CD1-CB 4.11Å; Y520-K528 HydrophobicContact CG-CB 4.38Å; L521-K528 VanDerWaalsContact O-CA 3.32Å; L521-K528 WeakPolarHBondContact O-CA 3.17Å; T522-K528 HydrophobicContact CG2-CD 4.38Å; T522-K528 WeakPolarHBondContact OG1-CD 3.41Å; T522-K528 WeakPolarHBondContact OG1-CE 3.38Å; T522-K528 PolarHBondContact OG1-NZ 3.02Å
529	F	97.5	Very high	95.5	Very high	13 Å²	13	65.9 Å²	65.9	6%	0.057	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	153.4	173.2	73.1	-78.9	0	0	0	110.1	H413 C415 Y520 L521 L531	H413-F529 HydrophobicContact CB-CD1 3.85Å; H413-F529 HydrophobicContact CB-CE1 3.55Å; H413-F529 HydrophobicContact CB-CE2 4.31Å; H413-F529 HydrophobicContact CB-CG 4.36Å; H413-F529 HydrophobicContact CB-CZ 3.8Å; H413-F529 AromaticContact CD2-CD1 3.78Å; H413-F529 AromaticContact CD2-CG 3.63Å; H413-F529 AromaticContact CE1-CD2 3.69Å; H413-F529 AromaticContact CE1-CG 3.94Å; H413-F529 AromaticContact CG-CD1 3.71Å; H413-F529 AromaticContact CG-CD2 3.88Å; H413-F529 AromaticContact CG-CE1 3.84Å; H413-F529 AromaticContact CG-CE2 3.99Å; H413-F529 AromaticContact CG-CG 3.73Å; H413-F529 AromaticContact CG-CZ 3.97Å; H413-F529 AromaticContact ND1-CD2 3.61Å; H413-F529 AromaticContact ND1-CE2 3.68Å; H413-F529 AromaticContact ND1-CG 3.93Å; H413-F529 AromaticContact NE2-CD2 3.99Å; H413-F529 AromaticContact NE2-CG 3.78Å; C415-F529 HydrophobicContact CB-CZ 4.47Å; C415-F529 VanDerWaalsContact SG-CE1 3.53Å; Y520-F529 CarbonylContact C-O 3.55Å; Y520-F529 WeakPolarHBondContact CA-O 3.17Å; L521-F529 HydrophobicContact CB-CD1 4.18Å; L521-F529 HydrophobicContact CB-CE1 3.58Å; L521-F529 HydrophobicContact CB-CE2 4.22Å; L521-F529 HydrophobicContact CB-CZ 3.61Å; L521-F529 HydrophobicContact CD1-CE2 4.2Å; L521-F529 HydrophobicContact CD1-CZ 3.85Å; L521-F529 HydrophobicContact CG-CZ 4.37Å; L521-F529 PolarHBondContact N-O 3.07Å; L521-F529 PolarHBondContact O-N 2.87Å; F529-L531 HydrophobicContact CE2-CD2 4.03Å
530	K	97.4	Very high	95.5	Very high	90 Å²	90	64.7 Å²	64.7	39%	0.391	35%	0.349	S	S	.	.			trans	-106.4	139.9	178.1	-176.1	173.2	179.1	-173.8	0	109.1	T517 Y520	T517-K530 WeakPolarHBondContact O-CE 3.48Å; T517-K530 PolarHBondContact O-NZ 2.77Å; Y520-K530 HydrophobicContact CD1-CB 4.09Å; Y520-K530 HydrophobicContact CE1-CB 4.12Å
531	L	98.1	Very high	95.4	Very high	3 Å²	3	63.5 Å²	63.5	2%	0.016	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-70.1	134.2	171.5	-66.4	172.5	0	0	0	109.1	W248 I406 Q409 A505 F514 P516 L521 F529	W248-L531 HydrophobicContact CH2-CB 4.04Å; W248-L531 HydrophobicContact CH2-CD1 4.28Å; W248-L531 HydrophobicContact CZ2-CB 3.84Å; I406-L531 HydrophobicContact CG2-CD1 3.93Å; I406-L531 HydrophobicContact CG2-CD2 4.17Å; Q409-L531 HydrophobicContact CB-CD2 3.96Å; A505-L531 HydrophobicContact CB-CD1 3.77Å; F514-L531 HydrophobicContact CE1-CD1 4.05Å; F514-L531 HydrophobicContact CZ-CD1 4.27Å; P516-L531 HydrophobicContact CB-CD1 4.43Å; L521-L531 HydrophobicContact CD1-CD1 3.97Å; L521-L531 HydrophobicContact CD1-CD2 4.14Å; L521-L531 HydrophobicContact CD1-CG 3.99Å; F529-L531 HydrophobicContact CE2-CD2 4.03Å
532	I	97.8	Very high	95.4	Very high	105 Å²	105	70.5 Å²	70.5	54%	0.538	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-87.9	154	169.8	62.1	170.4	0	0	0	109.3	W248 Q409	W248-I532 WeakPolarHBondContact CZ2-O 3.42Å; Q409-I532 VanDerWaalsContact CD-CG1 3.43Å; Q409-I532 HydrophobicContact CG-CG1 4.37Å; Q409-I532 VanDerWaalsContact NE2-CG1 3.34Å; Q409-I532 PolarHBondContact NE2-O 3.42Å; Q409-I532 VanDerWaalsContact NE2-O 3.11Å; Q409-I532 PolarHBondContact OE1-O 3.43Å
533	P	98	Very high	95.5	Very high	64 Å²	64	69 Å²	69	42%	0.416	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-47.4	141.8	174.6	-28.1	34.8	0	0	0	112.3
534	P	97.6	Very high	95.8	Very high	11 Å²	11	69.9 Å²	69.9	7%	0.071	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-66.2	142.9	-175.7	29	-37.8	0	0	0	111.9	R402 S405 I406 E501	R402-P534 HydrophobicContact CB-CB 4.11Å; R402-P534 PolarHBondContact NH1-O 2.64Å; R402-P534 VanDerWaalsContact NH2-CG 3.27Å; R402-P534 WeakPolarHBondContact O-CB 3.14Å; S405-P534 VanDerWaalsContact OG-CA 3.24Å; S405-P534 WeakPolarHBondContact OG-CA 3.2Å; S405-P534 WeakPolarHBondContact OG-CB 3.45Å; I406-P534 HydrophobicContact CD1-CB 3.78Å; I406-P534 HydrophobicContact CD1-CG 4.5Å; I406-P534 HydrophobicContact CG1-CB 4.05Å; E501-P534 HydrophobicContact CB-CB 4.14Å; E501-P534 HydrophobicContact CB-CG 3.89Å; E501-P534 HydrophobicContact CG-CG 3.94Å
535	D	93	Very high	96.4	Very high	112 Å²	112	68.4 Å²	68.4	60%	0.599	38%	0.375	S	S	*	.	P	Polyproline II helix	trans	-101.5	145.3	166.2	-172.5	17.5	0	0	0	108.9	R402 S405	R402-D535 WeakPolarHBondContact CA-O 3.42Å; S405-D535 WeakPolarHBondContact CB-O 3.32Å; S405-D535 PolarHBondContact OG-N 3.19Å; S405-D535 VanDerWaalsContact OG-N 3.14Å; S405-D535 PolarHBondContact OG-O 3.33Å
536	G	93.6	Very high	96.5	Very high	23 Å²	23	69.9 Å²	69.9	24%	0.237	37%	0.368	C	S	.	.			trans	-161.4	154.8	-175.7	0	0	0	0	0	112.4
537	F	96.9	Very high	96.7	Very high	121 Å²	121	69.2 Å²	69.2	53%	0.531	36%	0.36	S	S	.	.			trans	-106.1	123.1	-176.6	-60.7	-72.6	0	0	0	109.4	Y397 E398 T401 L539	Y397-F537 HydrophobicContact CD1-CB 4.27Å; Y397-F537 WeakPolarHBondContact CD1-O 3.46Å; Y397-F537 HydrophobicContact CE1-CB 3.64Å; E398-F537 VanDerWaalsContact CA-O 3.24Å; E398-F537 WeakPolarHBondContact CA-O 3.34Å; T401-F537 HydrophobicContact CG2-CD2 4.14Å; T401-F537 PolarHBondContact OG1-N 3.37Å; F537-L539 PolarHBondContact O-N 2.74Å
538	E	96.5	Very high	96.7	Very high	39 Å²	39	68.5 Å²	68.5	18%	0.182	36%	0.364	C	S	.	.	S	Bend	trans	-53.9	-42.5	176.8	-173	-177.6	165.4	0	0	111.7	R309 R312	R309-E538 IonicContact CZ-OE1 3.49Å; R309-E538 IonicContact CZ-OE2 3.64Å; R309-E538 IonicContact NE-OE1 2.68Å; R309-E538 PolarHBondContact NE-OE1 2.94Å; R309-E538 VanDerWaalsContact NE-OE1 3.13Å; R309-E538 IonicContact NE-OE2 3.96Å; R309-E538 PolarHBondContact NE-OE2 2.86Å; R309-E538 IonicContact NH2-OE1 3.37Å; R309-E538 IonicContact NH2-OE2 2.71Å; R309-E538 PolarHBondContact NH2-OE2 3.44Å; R312-E538 IonicContact CZ-OE2 3.03Å; R312-E538 IonicContact NE-OE1 3.73Å; R312-E538 IonicContact NE-OE2 2.8Å; R312-E538 IonicContact NH2-OE1 3.32Å; R312-E538 PolarHBondContact NH2-OE1 3.32Å; R312-E538 IonicContact NH2-OE2 3.51Å; R312-E538 PolarHBondContact NH2-OE2 3.47Å
539	L	98.3	Very high	96.6	Very high	38 Å²	38	67.7 Å²	67.7	20%	0.199	36%	0.362	C	S	.	.	S	Bend	trans	-142	152.3	-175.7	-67.9	169.4	0	0	0	110.4	R312 Y313 A316 F537 S541 F544	R312-L539 HydrophobicContact CB-CD1 4.19Å; Y313-L539 HydrophobicContact CD2-CD2 3.82Å; Y313-L539 HydrophobicContact CE2-CD2 4.36Å; A316-L539 HydrophobicContact CB-CD1 3.83Å; A316-L539 HydrophobicContact CB-CD2 4Å; A316-L539 HydrophobicContact CB-CG 4.39Å; F537-L539 PolarHBondContact O-N 2.74Å; L539-S541 PolarHBondContact O-N 3.11Å; L539-F544 HydrophobicContact CD2-CE2 3.97Å; L539-F544 HydrophobicContact CD2-CZ 4.04Å
540	P	98	Very high	96.5	Very high	8 Å²	8	68 Å²	68	5%	0.052	37%	0.365	C	S	.	.			trans	-70.3	123.4	175.9	29	-35	0	0	0	110.8	Y397 T433 K542 G543 F544	Y397-P540 HydrophobicContact CD1-CB 4.33Å; Y397-P540 HydrophobicContact CD2-CB 4.36Å; Y397-P540 HydrophobicContact CE1-CB 4Å; Y397-P540 HydrophobicContact CE2-CB 4.08Å; Y397-P540 HydrophobicContact CG-CB 4.5Å; T433-P540 HydrophobicContact CG2-CB 3.78Å; T433-P540 HydrophobicContact CG2-CG 3.97Å; P540-K542 PolarHBondContact O-N 3.34Å; P540-G543 WeakPolarHBondContact CG-O 3.2Å; P540-G543 PolarHBondContact O-N 3.46Å; P540-F544 VanDerWaalsContact CD-CZ 3.5Å; P540-F544 HydrophobicContact CG-CD1 3.78Å; P540-F544 HydrophobicContact CG-CD2 3.95Å; P540-F544 HydrophobicContact CG-CE1 3.8Å; P540-F544 HydrophobicContact CG-CE2 3.99Å; P540-F544 HydrophobicContact CG-CG 3.85Å; P540-F544 HydrophobicContact CG-CZ 3.91Å
541	S	95.9	Very high	96.6	Very high	120 Å²	120	64.7 Å²	64.7	84%	0.839	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-25.5	-178.6	58.1	0	0	0	0	113.8	L539 G543	L539-S541 PolarHBondContact O-N 3.11Å; S541-G543 VanDerWaalsContact C-N 3.32Å
542	K	96.4	Very high	96.6	Very high	157 Å²	157	67.9 Å²	67.9	68%	0.683	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	7.4	175.3	-60.2	175	-175.6	169	0	113.3	P540	P540-K542 PolarHBondContact O-N 3.34Å
543	G	97.7	Very high	96.5	Very high	27 Å²	27	67.3 Å²	67.3	28%	0.278	37%	0.367	S	S	.	.			trans	74.1	173	-169.5	0	0	0	0	0	112.9	R436 P540 S541	R436-G543 VanDerWaalsContact CZ-O 3.31Å; R436-G543 PolarHBondContact NH1-O 3.38Å; R436-G543 PolarHBondContact NH2-O 3.49Å; P540-G543 WeakPolarHBondContact CG-O 3.2Å; P540-G543 PolarHBondContact O-N 3.46Å; S541-G543 VanDerWaalsContact C-N 3.32Å
544	F	98.3	Very high	96.5	Very high	28 Å²	28	65.6 Å²	65.6	12%	0.123	36%	0.355	C	S	.	.			trans	-80.5	135.8	178	-72.3	-80.5	0	0	0	111.9	A316 T317 Q429 I430 T433 L539 P540	A316-F544 HydrophobicContact CB-CE2 4.21Å; T317-F544 HydrophobicContact CG2-CD2 4.27Å; T317-F544 HydrophobicContact CG2-CE2 4.05Å; Q429-F544 HydrophobicContact CG-CB 3.79Å; Q429-F544 HydrophobicContact CG-CD1 4Å; Q429-F544 HydrophobicContact CG-CG 4.13Å; I430-F544 HydrophobicContact CD1-CD1 4.34Å; I430-F544 HydrophobicContact CD1-CE1 3.71Å; T433-F544 HydrophobicContact CG2-CD1 4.11Å; L539-F544 HydrophobicContact CD2-CE2 3.97Å; L539-F544 HydrophobicContact CD2-CZ 4.04Å; P540-F544 VanDerWaalsContact CD-CZ 3.5Å; P540-F544 HydrophobicContact CG-CD1 3.78Å; P540-F544 HydrophobicContact CG-CD2 3.95Å; P540-F544 HydrophobicContact CG-CE1 3.8Å; P540-F544 HydrophobicContact CG-CE2 3.99Å; P540-F544 HydrophobicContact CG-CG 3.85Å; P540-F544 HydrophobicContact CG-CZ 3.91Å
545	D	98	Very high	96.4	Very high	64 Å²	64	67.9 Å²	67.9	34%	0.342	37%	0.37	S	S	.	.			trans	-80	127.2	164	-168.4	-31.1	0	0	0	108.6	Q429 A432 T433 G547	Q429-D545 CarbonylContact C-O 3.59Å; Q429-D545 VanDerWaalsContact CA-O 3.29Å; Q429-D545 WeakPolarHBondContact CA-O 3.02Å; Q429-D545 WeakPolarHBondContact CG-O 3.33Å; A432-D545 HydrophobicContact CB-CB 4.03Å; T433-D545 PolarHBondContact OG1-N 3.26Å; T433-D545 PolarHBondContact OG1-O 2.84Å; D545-G547 PolarHBondContact O-N 3.18Å; D545-G547 PolarHBondContact OD1-N 2.59Å
546	R	94	Very high	96.2	Very high	151 Å²	151	67 Å²	67	57%	0.57	38%	0.378	S	S	*	.			trans	-72.3	-17.8	-179.3	-70.3	-173.6	176.7	179.4	1.3	112.9
547	G	96.5	Very high	96.2	Very high	32 Å²	32	71.3 Å²	71.3	33%	0.33	40%	0.396	S	S	.	.			trans	65	-149.3	-172.7	0	0	0	0	0	112.2	E428 A432 D545	E428-G547 WeakPolarHBondContact OE1-CA 3.39Å; A432-G547 VanDerWaalsContact CB-CA 3.49Å; D545-G547 PolarHBondContact O-N 3.18Å; D545-G547 PolarHBondContact OD1-N 2.59Å
548	V	94.5	Very high	96.1	Very high	100 Å²	100	66 Å²	66	61%	0.606	38%	0.375	S	S	*	.	S	Bend	trans	-75	139.4	178	-175.3	0	0	0	0	110.3	E428 T550	E428-V548 PolarHBondContact OE1-N 3.48Å; V548-T550 PolarHBondContact O-N 3.15Å
549	E	94.3	Very high	95.8	Very high	115 Å²	115	67.2 Å²	67.2	54%	0.537	39%	0.388	S	S	.	.			trans	-69	117	173.1	-174.3	55.9	-95.4	0	0	109.8	R43 Y551	R43-E549 IonicContact NH1-OE2 3.02Å; R43-E549 PolarHBondContact NH1-OE2 3.2Å; E549-Y551 WeakPolarHBondContact OE1-CB 3.49Å; E549-Y551 PolarHBondContact OE1-N 3.06Å
550	T	96.6	Very high	95.5	Very high	20 Å²	20	73.4 Å²	73.4	12%	0.123	42%	0.416	C	S	.	.			trans	-114.4	-8.4	-176.6	53.9	0	0	0	0	113	W173 N174 S177 V548	W173-T550 WeakPolarHBondContact CZ3-OG1 3.43Å; N174-T550 WeakPolarHBondContact CB-O 3.3Å; N174-T550 PolarHBondContact N-O 2.83Å; N174-T550 PolarHBondContact ND2-O 3.09Å; S177-T550 VanDerWaalsContact CB-OG1 3.27Å; S177-T550 WeakPolarHBondContact CB-OG1 3.39Å; V548-T550 PolarHBondContact O-N 3.15Å
551	Y	98.4	Very high	95.4	Very high	21 Å²	21	76.4 Å²	76.4	8%	0.082	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	132	179.1	-176.9	-99.5	0	0	0	111.6	F44 G171 W173 Y188 E549 T553	F44-Y551 HydrophobicContact CB-CE1 4.01Å; F44-Y551 AromaticContact CD1-CD1 3.31Å; F44-Y551 HydrophobicContact CD1-CD1 3.31Å; F44-Y551 HydrophobicContact CD1-CD2 4.23Å; F44-Y551 AromaticContact CD1-CE1 3.36Å; F44-Y551 HydrophobicContact CD1-CE1 3.36Å; F44-Y551 HydrophobicContact CD1-CE2 4.27Å; F44-Y551 AromaticContact CD1-CG 3.75Å; F44-Y551 HydrophobicContact CD1-CG 3.75Å; F44-Y551 AromaticContact CD1-CZ 3.85Å; F44-Y551 AromaticContact CE1-CD1 3.5Å; F44-Y551 HydrophobicContact CE1-CD1 3.5Å; F44-Y551 VanDerWaalsContact CE1-CD1 3.5Å; F44-Y551 HydrophobicContact CE1-CD2 4.15Å; F44-Y551 HydrophobicContact CE1-CE1 4.04Å; F44-Y551 AromaticContact CE1-CG 3.53Å; F44-Y551 HydrophobicContact CE1-CG 3.53Å; F44-Y551 HydrophobicContact CG-CD1 4.26Å; F44-Y551 AromaticContact CG-CE1 3.95Å; F44-Y551 HydrophobicContact CG-CE1 3.95Å; F44-Y551 HydrophobicContact CG-CE2 4.38Å; F44-Y551 AromaticContact CG-CZ 4Å; F44-Y551 HydrophobicContact CZ-CG 4.22Å; G171-Y551 WeakPolarHBondContact CA-OH 3.38Å; W173-Y551 AromaticContact CD1-CD2 3.8Å; W173-Y551 AromaticContact CD2-CD2 3.79Å; W173-Y551 HydrophobicContact CD2-CD2 3.79Å; W173-Y551 HydrophobicContact CD2-CG 4.5Å; W173-Y551 AromaticContact CE2-CD2 3.49Å; W173-Y551 VanDerWaalsContact CE2-CD2 3.49Å; W173-Y551 HydrophobicContact CE3-CD2 4.47Å; W173-Y551 HydrophobicContact CG-CD2 4.01Å; W173-Y551 AromaticContact CZ2-CD2 4Å; W173-Y551 HydrophobicContact CZ2-CD2 4Å; W173-Y551 HydrophobicContact CZ2-CG 4.48Å; W173-Y551 AromaticContact NE1-CD2 3.43Å; W173-Y551 AromaticContact NE1-CE2 3.75Å; Y188-Y551 WeakPolarHBondContact OH-CE2 3.21Å; E549-Y551 WeakPolarHBondContact OE1-CB 3.49Å; E549-Y551 PolarHBondContact OE1-N 3.06Å; Y551-T553 HydrophobicContact CE1-CG2 4.46Å; Y551-T553 WeakPolarHBondContact CE1-OG1 3.26Å
552	Q	97.5	Very high	95.2	Very high	70 Å²	70	79.3 Å²	79.3	33%	0.327	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	111.9	169	174.9	-174	-22.9	0	0	109	F172	F172-Q552 HydrophobicContact CB-CB 4.18Å; F172-Q552 HydrophobicContact CD1-CB 4.26Å; F172-Q552 PolarHBondContact N-O 2.78Å; F172-Q552 VanDerWaalsContact N-O 3.11Å; F172-Q552 PolarHBondContact O-N 3.38Å
553	T	97	Very high	95.1	Very high	93 Å²	93	73 Å²	73	57%	0.571	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-70.7	130.9	172.8	-50.6	0	0	0	0	109.8	Y551	Y551-T553 HydrophobicContact CE1-CG2 4.46Å; Y551-T553 WeakPolarHBondContact CE1-OG1 3.26Å
554	P	96.7	Very high	94.8	Very high	27 Å²	27	76.7 Å²	76.7	18%	0.175	42%	0.42	C	S	.	.	P	Polyproline II helix	trans	-63.8	144.6	172.2	27.3	-33.6	0	0	0	110.2
555	P	95.3	Very high	94.7	Very high	60 Å²	60	76.3 Å²	76.3	39%	0.39	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-60.1	156.8	173.5	29.1	-35.7	0	0	0	110.6	A166 D557 L561	A166-P555 HydrophobicContact CB-CG 4.48Å; A166-P555 WeakPolarHBondContact O-CD 3.45Å; P555-D557 PolarHBondContact O-N 3.22Å; P555-L561 HydrophobicContact CG-CD1 3.95Å
556	A	90.7	Very high	94.6	Very high	93 Å²	93	79.3 Å²	79.3	77%	0.769	43%	0.43	S	S	*	.	S	Bend	trans	-62.3	-28.5	177.6	0	0	0	0	0	112.8
557	D	92.7	Very high	94.6	Very high	113 Å²	113	78.8 Å²	78.8	60%	0.604	45%	0.447	S	S	*	.			trans	-135	115.8	172.8	-177.3	0.6	0	0	0	109	P555 S559	P555-D557 PolarHBondContact O-N 3.22Å; D557-S559 WeakPolarHBondContact OD1-CB 3.43Å; D557-S559 PolarHBondContact OD1-N 2.8Å; D557-S559 PolarHBondContact OD1-OG 3.34Å; D557-S559 PolarHBondContact OD2-OG 2.92Å
558	G	93.6	Very high	94.6	Very high	9 Å²	9	83.2 Å²	83.2	9%	0.093	46%	0.462	C	S	.	.			trans	-104.9	4.8	178	0	0	0	0	0	113.8	E560 L561	G558-E560 VanDerWaalsContact C-N 3.32Å; G558-E560 PolarHBondContact O-N 2.91Å; G558-L561 WeakPolarHBondContact O-CB 3.3Å; G558-L561 PolarHBondContact O-N 3.12Å
559	S	90.4	Very high	94.8	Very high	65 Å²	65	78.8 Å²	78.8	46%	0.455	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-41.9	-170.3	56.9	0	0	0	0	113.3	K167 D557 L561	K167-S559 PolarHBondContact NZ-O 3.35Å; D557-S559 WeakPolarHBondContact OD1-CB 3.43Å; D557-S559 PolarHBondContact OD1-N 2.8Å; D557-S559 PolarHBondContact OD1-OG 3.34Å; D557-S559 PolarHBondContact OD2-OG 2.92Å; S559-L561 VanDerWaalsContact C-N 3.31Å; S559-L561 PolarHBondContact O-N 2.98Å
560	E	93.4	Very high	94.9	Very high	169 Å²	169	78.6 Å²	78.6	79%	0.79	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-13.9	179.1	-65.2	-59.3	138.3	0	0	114.3	G558	G558-E560 VanDerWaalsContact C-N 3.32Å; G558-E560 PolarHBondContact O-N 2.91Å
561	L	94.8	Very high	95	Very high	71 Å²	71	79.2 Å²	79.2	37%	0.372	44%	0.435	S	S	.	.			trans	-70.9	141.7	178.7	-63.1	179.1	0	0	0	110.7	A166 K167 P555 G558 S559	A166-L561 HydrophobicContact CB-CD1 3.56Å; K167-L561 HydrophobicContact CB-CB 4.12Å; K167-L561 VanDerWaalsContact CD-O 3.3Å; K167-L561 WeakPolarHBondContact CD-O 3.17Å; K167-L561 WeakPolarHBondContact CE-O 3.49Å; K167-L561 HydrophobicContact CG-CB 4.49Å; K167-L561 PolarHBondContact NZ-O 2.99Å; P555-L561 HydrophobicContact CG-CD1 3.95Å; G558-L561 WeakPolarHBondContact O-CB 3.3Å; G558-L561 PolarHBondContact O-N 3.12Å; S559-L561 VanDerWaalsContact C-N 3.31Å; S559-L561 PolarHBondContact O-N 2.98Å
562	K	91.9	Very high	95	Very high	180 Å²	180	78.3 Å²	78.3	78%	0.783	43%	0.432	S	S	*	.			trans	-107	133.5	176.2	-65.8	-175.8	-179.2	179.3	0	110
563	V	94.2	Very high	95	Very high	26 Å²	26	77.9 Å²	77.9	16%	0.158	43%	0.43	C	S	.	.			trans	-99.6	121.1	169.4	-178.4	0	0	0	0	107.1	M118 F160 A164 K167 Y168	M118-V563 HydrophobicContact CE-CB 4.26Å; M118-V563 HydrophobicContact CE-CG1 3.95Å; M118-V563 HydrophobicContact SD-CG1 4.09Å; F160-V563 HydrophobicContact CD2-CG1 3.6Å; F160-V563 HydrophobicContact CE2-CG1 3.56Å; A164-V563 VanDerWaalsContact CA-CG2 3.42Å; A164-V563 HydrophobicContact CB-CG1 4.02Å; A164-V563 HydrophobicContact CB-CG2 3.89Å; K167-V563 HydrophobicContact CB-CG2 3.94Å; K167-V563 HydrophobicContact CD-CG2 3.67Å; K167-V563 HydrophobicContact CG-CG2 4.42Å; Y168-V563 HydrophobicContact CE2-CG2 4.18Å
564	V	91.5	Very high	95	Very high	103 Å²	103	78.2 Å²	78.2	62%	0.624	43%	0.428	S	S	*	.			trans	-107.1	123.8	-175.3	-178.7	0	0	0	0	109.5
565	V	96.5	Very high	94.9	Very high	21 Å²	21	78.5 Å²	78.5	13%	0.127	43%	0.428	C	S	.	.			trans	-114.7	114.3	166.2	178.2	0	0	0	0	106.9	L115 F160 L572 L574	L115-V565 HydrophobicContact CD2-CG2 4.22Å; F160-V565 HydrophobicContact CD2-CG2 3.92Å; F160-V565 HydrophobicContact CE2-CG2 3.76Å; V565-L572 HydrophobicContact CG1-CB 3.82Å; V565-L574 HydrophobicContact CB-CD2 4.1Å; V565-L574 HydrophobicContact CB-CG 4.11Å; V565-L574 HydrophobicContact CG1-CD2 4.48Å; V565-L574 HydrophobicContact CG1-CG 4.17Å; V565-L574 HydrophobicContact CG2-CD2 3.98Å
566	K	96	Very high	94.8	Very high	126 Å²	126	84.5 Å²	84.5	55%	0.548	45%	0.447	S	S	.	.			trans	-67.8	132.1	-178.8	-64.4	177.3	-179.5	174.3	0	109.5	D568 S569	K566-D568 PolarHBondContact O-N 3.39Å; K566-S569 VanDerWaalsContact O-CB 3.24Å; K566-S569 WeakPolarHBondContact O-CB 3.44Å; K566-S569 PolarHBondContact O-N 3.36Å
567	P	94.3	Very high	94.9	Very high	141 Å²	141	85.2 Å²	85.2	92%	0.916	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-27.2	-177.5	-26.4	35.1	0	0	0	115.1
568	D	96.1	Very high	95	Very high	124 Å²	124	81.3 Å²	81.3	66%	0.663	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	4.1	179.9	63.8	-25.1	0	0	0	113.4	K566 Q570	K566-D568 PolarHBondContact O-N 3.39Å; D568-Q570 PolarHBondContact O-N 2.84Å; D568-Q570 PolarHBondContact O-NE2 3.33Å; D568-Q570 VanDerWaalsContact O-NE2 3.14Å
569	S	97.9	Very high	95.1	Very high	8 Å²	8	88 Å²	88	6%	0.056	45%	0.451	C	S	.	.			trans	-56.1	137	177.4	178.4	0	0	0	0	110.7	E156 K566 R571 L572 H616	E156-S569 VanDerWaalsContact CD-OG 3.29Å; E156-S569 WeakPolarHBondContact OE1-CB 3.28Å; E156-S569 PolarHBondContact OE1-OG 2.9Å; E156-S569 PolarHBondContact OE2-OG 3.27Å; K566-S569 VanDerWaalsContact O-CB 3.24Å; K566-S569 WeakPolarHBondContact O-CB 3.44Å; K566-S569 PolarHBondContact O-N 3.36Å; S569-R571 PolarHBondContact OG-N 3.18Å; S569-L572 VanDerWaalsContact CB-O 3.32Å; S569-L572 WeakPolarHBondContact CB-O 3.17Å; S569-L572 PolarHBondContact OG-N 2.89Å; S569-H616 PolarHBondContact O-CD2 3.43Å; S569-H616 PolarHBondContact O-NE2 2.99Å
570	Q	97.8	Very high	95.4	Very high	111 Å²	111	88 Å²	88	52%	0.519	46%	0.455	S	S	.	.	S	Bend	trans	-91.7	-6.8	171.5	-61.1	-55.4	-55.2	0	0	112.4	D568 F613 N619	D568-Q570 PolarHBondContact O-N 2.84Å; D568-Q570 PolarHBondContact O-NE2 3.33Å; D568-Q570 VanDerWaalsContact O-NE2 3.14Å; Q570-F613 WeakPolarHBondContact O-CD1 3.3Å; Q570-F613 WeakPolarHBondContact O-CE1 3.34Å; Q570-N619 PolarHBondContact O-ND2 3.31Å; Q570-N619 VanDerWaalsContact O-ND2 3.14Å; Q570-N619 PolarHBondContact OE1-ND2 2.99Å; Q570-N619 VanDerWaalsContact OE1-ND2 3.1Å
571	R	97.8	Very high	95.6	Very high	32 Å²	32	82.3 Å²	82.3	12%	0.121	43%	0.426	C	S	.	.	S	Bend	trans	-103.5	-35.9	-175.6	-59.6	-62.7	-59.3	-93.3	2	112.5	T153 N154 E156 V157 S569 K612 G615 H616	T153-R571 PolarHBondContact O-NH1 2.81Å; T153-R571 VanDerWaalsContact O-NH1 3.11Å; N154-R571 PolarHBondContact OD1-NH1 2.91Å; N154-R571 PolarHBondContact OD1-NH2 3.5Å; E156-R571 WeakPolarHBondContact OE2-CB 3.4Å; E156-R571 WeakPolarHBondContact OE2-CG 3.41Å; V157-R571 HydrophobicContact CG2-CB 4.1Å; S569-R571 PolarHBondContact OG-N 3.18Å; R571-K612 WeakPolarHBondContact CD-O 3.44Å; R571-K612 PolarHBondContact NE-O 3.46Å; R571-G615 CarbonylContact O-C 3.48Å; R571-G615 VanDerWaalsContact O-C 3.27Å; R571-G615 WeakPolarHBondContact O-CA 3.32Å; R571-H616 PolarHBondContact O-N 2.89Å
572	L	98.3	Very high	95.7	Very high	3 Å²	3	84.7 Å²	84.7	2%	0.016	44%	0.439	C	S	.	.	B	Isolated β-bridge	trans	-129.2	138.2	-173.6	-62.5	167.9	0	0	0	110	Q111 E156 F160 V565 S569 G615	Q111-L572 HydrophobicContact CG-CD2 4.35Å; E156-L572 HydrophobicContact CG-CD1 4.01Å; F160-L572 HydrophobicContact CB-CD1 3.42Å; F160-L572 VanDerWaalsContact CB-CD1 3.42Å; F160-L572 HydrophobicContact CD1-CD1 4.1Å; F160-L572 HydrophobicContact CD1-CD2 3.69Å; F160-L572 HydrophobicContact CD2-CD1 4.09Å; F160-L572 HydrophobicContact CE1-CD2 4.06Å; F160-L572 HydrophobicContact CG-CD1 3.6Å; F160-L572 HydrophobicContact CG-CD2 4.05Å; F160-L572 HydrophobicContact CG-CG 4.49Å; V565-L572 HydrophobicContact CG1-CB 3.82Å; S569-L572 VanDerWaalsContact CB-O 3.32Å; S569-L572 WeakPolarHBondContact CB-O 3.17Å; S569-L572 PolarHBondContact OG-N 2.89Å; L572-G615 CarbonylContact C-O 3.56Å; L572-G615 WeakPolarHBondContact CA-O 3.42Å
573	Q	98	Very high	95.9	Very high	60 Å²	60	77.1 Å²	77.1	28%	0.28	41%	0.413	S	S	.	.			trans	-140.8	127.7	178	-172.1	179.7	35.6	0	0	109.4	L115 L575 G615 H616 D618	L115-Q573 WeakPolarHBondContact CD1-O 3.45Å; Q573-L575 PolarHBondContact O-N 3.37Å; Q573-G615 PolarHBondContact N-O 3.38Å; Q573-H616 HydrophobicContact CB-CB 4.2Å; Q573-H616 VanDerWaalsContact CD-CE1 3.44Å; Q573-H616 PolarHBondContact OE1-CE1 2.93Å; Q573-H616 PolarHBondContact OE1-ND1 3.2Å; Q573-D618 VanDerWaalsContact OE1-N 3.17Å
574	L	96.6	Very high	96.1	Very high	101 Å²	101	80.7 Å²	80.7	53%	0.529	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-62	137.8	170.1	-68.2	176.9	0	0	0	110.1	L115 M118 V565	L115-L574 HydrophobicContact CD2-CD2 4.06Å; M118-L574 HydrophobicContact CE-CD2 4.09Å; V565-L574 HydrophobicContact CB-CD2 4.1Å; V565-L574 HydrophobicContact CB-CG 4.11Å; V565-L574 HydrophobicContact CG1-CD2 4.48Å; V565-L574 HydrophobicContact CG1-CG 4.17Å; V565-L574 HydrophobicContact CG2-CD2 3.98Å
575	L	94.6	Very high	96.4	Very high	33 Å²	33	78.5 Å²	78.5	17%	0.173	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-75.2	140.1	179.5	-70.3	174.4	0	0	0	111.1	M112 L115 Q116 Q573 L617	M112-L575 HydrophobicContact CE-CD2 4.44Å; M112-L575 HydrophobicContact SD-CD1 3.74Å; M112-L575 HydrophobicContact SD-CD2 3.76Å; M112-L575 HydrophobicContact SD-CG 4.06Å; L115-L575 HydrophobicContact CB-CD1 4.21Å; L115-L575 HydrophobicContact CB-CG 4.35Å; Q116-L575 HydrophobicContact CB-CD1 4.44Å; Q116-L575 HydrophobicContact CG-CD1 3.45Å; Q116-L575 VanDerWaalsContact CG-CD1 3.45Å; Q573-L575 PolarHBondContact O-N 3.37Å; L575-L617 HydrophobicContact CD2-CB 4.35Å; L575-L617 HydrophobicContact CD2-CD2 3.95Å
576	K	93	Very high	96.5	Very high	185 Å²	185	78.6 Å²	78.6	80%	0.804	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-98.4	135.6	165.4	-67.6	-176.5	-179.9	179.8	0	108.3	F578	K576-F578 PolarHBondContact O-N 3.34Å
577	P	93.7	Very high	96.6	Very high	108 Å²	108	76.9 Å²	76.9	70%	0.701	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-52.5	136.8	173.8	-27.2	35.3	0	0	0	111.1
578	F	95.7	Very high	96.7	Very high	32 Å²	32	73.2 Å²	73.2	14%	0.14	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-70	152.7	172.1	-68.5	-56.8	0	0	0	110.6	K576 L617 L683 R686 N780	K576-F578 PolarHBondContact O-N 3.34Å; F578-L617 HydrophobicContact CZ-CD2 4.1Å; F578-L683 HydrophobicContact CE2-CD2 3.82Å; F578-L683 HydrophobicContact CZ-CD2 4Å; F578-R686 HydrophobicContact CD1-CG 3.78Å; F578-R686 HydrophobicContact CD2-CG 3.78Å; F578-R686 HydrophobicContact CE1-CB 4.32Å; F578-R686 HydrophobicContact CE1-CG 3.73Å; F578-R686 HydrophobicContact CE2-CB 4.32Å; F578-R686 HydrophobicContact CE2-CG 3.72Å; F578-R686 HydrophobicContact CG-CG 3.81Å; F578-R686 HydrophobicContact CZ-CB 4.05Å; F578-R686 HydrophobicContact CZ-CG 3.69Å; F578-N780 PolarHBondContact O-ND2 3.3Å
579	E	94.8	Very high	96.9	Very high	150 Å²	150	67.8 Å²	67.8	70%	0.701	36%	0.355	S	S	*	.	P	Polyproline II helix	trans	-62.6	136.4	175.9	-66.1	175.2	172.1	0	0	111	R686 G776	E579-R686 PolarHBondContact O-NH2 2.97Å; E579-G776 WeakPolarHBondContact O-CA 3.5Å
580	A	97	Very high	96.9	Very high	65 Å²	65	67.7 Å²	67.7	54%	0.537	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-64	159.8	171.6	0	0	0	0	0	111
581	W	97.7	Very high	96.9	Very high	48 Å²	48	62.7 Å²	62.7	18%	0.182	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-65.6	137.3	171.3	175.3	51	0	0	0	109.9	G583 Q584 L736 K737 F773 R774	W581-G583 VanDerWaalsContact CE2-CA 3.46Å; W581-G583 VanDerWaalsContact CZ2-CA 3.46Å; W581-G583 WeakPolarHBondContact CZ2-O 3.49Å; W581-G583 PolarHBondContact O-N 3.5Å; W581-Q584 WeakPolarHBondContact CZ2-O 3.13Å; W581-Q584 PolarHBondContact NE1-O 3.36Å; W581-L736 HydrophobicContact CH2-CB 4.45Å; W581-L736 HydrophobicContact CZ2-CB 3.76Å; W581-K737 HydrophobicContact CH2-CG 4Å; W581-K737 HydrophobicContact CZ2-CG 4.44Å; W581-F773 HydrophobicContact CB-CZ 4.33Å; W581-F773 AromaticContact CD1-CZ 3.77Å; W581-F773 AromaticContact CD2-CE1 3.77Å; W581-F773 HydrophobicContact CD2-CE1 3.77Å; W581-F773 AromaticContact CD2-CZ 3.96Å; W581-F773 HydrophobicContact CD2-CZ 3.96Å; W581-F773 HydrophobicContact CE3-CE1 4.11Å; W581-F773 AromaticContact CG-CE1 3.97Å; W581-F773 HydrophobicContact CG-CE1 3.97Å; W581-F773 HydrophobicContact CG-CE2 4.47Å; W581-F773 AromaticContact CG-CZ 3.75Å; W581-F773 HydrophobicContact CG-CZ 3.75Å; W581-F773 AromaticContact NE1-CZ 3.97Å; W581-R774 HydrophobicContact CE3-CB 4.37Å; W581-R774 HydrophobicContact CE3-CG 3.84Å; W581-R774 HydrophobicContact CZ3-CG 4.12Å; W581-R774 PolarHBondContact N-O 3.48Å; W581-R774 VanDerWaalsContact N-O 3.07Å
582	D	96.3	Very high	97	Very high	121 Å²	121	61.4 Å²	61.4	65%	0.647	33%	0.327	S	S	*	.			trans	-77.3	-0.4	-176.8	61.1	5.9	0	0	0	113.6	Q584	D582-Q584 VanDerWaalsContact C-N 3.28Å; D582-Q584 PolarHBondContact O-N 3.05Å; D582-Q584 PolarHBondContact OD1-N 3.44Å
583	G	97.1	Very high	97	Very high	22 Å²	22	61.4 Å²	61.4	23%	0.227	33%	0.327	C	S	.	.	S	Bend	trans	80.8	2.7	-178.9	0	0	0	0	0	114	W581 K737	W581-G583 VanDerWaalsContact CE2-CA 3.46Å; W581-G583 VanDerWaalsContact CZ2-CA 3.46Å; W581-G583 WeakPolarHBondContact CZ2-O 3.49Å; W581-G583 PolarHBondContact O-N 3.5Å; G583-K737 WeakPolarHBondContact O-CE 3.45Å; G583-K737 VanDerWaalsContact O-CG 3.29Å; G583-K737 WeakPolarHBondContact O-CG 3.46Å
584	Q	97.3	Very high	97	Very high	101 Å²	101	59 Å²	59	47%	0.472	32%	0.315	S	S	.	.	S	Bend	trans	-108.9	163.3	-176.8	-53.9	-64	3.2	0	0	112.6	W581 D582 K737	W581-Q584 WeakPolarHBondContact CZ2-O 3.13Å; W581-Q584 PolarHBondContact NE1-O 3.36Å; D582-Q584 VanDerWaalsContact C-N 3.28Å; D582-Q584 PolarHBondContact O-N 3.05Å; D582-Q584 PolarHBondContact OD1-N 3.44Å; Q584-K737 VanDerWaalsContact OE1-CE 3.28Å
585	D	98.2	Very high	97.1	Very high	56 Å²	56	54.2 Å²	54.2	30%	0.299	29%	0.29	S	S	.	.			trans	-62.9	148.2	167.7	-73.9	-16	0	0	0	110.4	T587 L733 V734 G735 L736	D585-T587 PolarHBondContact O-N 3.4Å; D585-L733 WeakPolarHBondContact CB-O 3.4Å; D585-V734 WeakPolarHBondContact OD2-CA 3.38Å; D585-G735 VanDerWaalsContact CG-N 3.31Å; D585-G735 PolarHBondContact OD1-N 3.18Å; D585-G735 PolarHBondContact OD2-N 2.89Å; D585-G735 VanDerWaalsContact OD2-N 3.13Å; D585-L736 PolarHBondContact OD1-N 2.88Å
586	M	98.1	Very high	97.2	Very high	23 Å²	23	58.1 Å²	58.1	11%	0.113	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	106.1	178.5	-61.4	177.3	178	0	0	108.8	L589 K691 L712 S732 L733 L736 F773	M586-L589 HydrophobicContact CB-CD1 3.82Å; M586-L589 HydrophobicContact CB-CD2 4.26Å; M586-L589 HydrophobicContact CB-CG 4.17Å; M586-L589 HydrophobicContact SD-CD1 4.43Å; M586-K691 HydrophobicContact CE-CB 4.42Å; M586-K691 HydrophobicContact CE-CD 4.25Å; M586-K691 HydrophobicContact SD-CB 3.7Å; M586-K691 HydrophobicContact SD-CD 4.34Å; M586-K691 HydrophobicContact SD-CG 4.24Å; M586-L712 HydrophobicContact CE-CD1 4.38Å; M586-L712 HydrophobicContact SD-CD1 4.27Å; M586-S732 CarbonylContact O-C 3.51Å; M586-S732 VanDerWaalsContact O-CA 3.25Å; M586-S732 WeakPolarHBondContact O-CA 3.37Å; M586-L733 HydrophobicContact CB-CB 4.44Å; M586-L733 PolarHBondContact N-O 3.5Å; M586-L733 VanDerWaalsContact N-O 3.14Å; M586-L733 PolarHBondContact O-N 2.8Å; M586-L736 HydrophobicContact CB-CD1 4.34Å; M586-L736 HydrophobicContact CE-CD1 4.37Å; M586-L736 HydrophobicContact CG-CD1 3.74Å; M586-L736 HydrophobicContact SD-CD1 4.18Å; M586-F773 HydrophobicContact CE-CE2 3.75Å; M586-F773 HydrophobicContact CE-CZ 3.94Å
587	T	97.9	Very high	97.2	Very high	91 Å²	91	50.8 Å²	50.8	56%	0.558	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.8	150	-174.1	56.4	0	0	0	0	112.7	D585 L589	D585-T587 PolarHBondContact O-N 3.4Å; T587-L589 PolarHBondContact O-N 3.43Å; T587-L589 VanDerWaalsContact O-N 3.09Å
588	D	97.7	Very high	97.2	Very high	63 Å²	63	49.3 Å²	49.3	34%	0.337	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	46.6	40.8	175.7	-67.5	-29.4	0	0	0	114.6	R662 L730 V731 S732	D588-R662 PolarHBondContact O-NH2 2.8Å; D588-L730 HydrophobicContact CB-CB 4.38Å; D588-L730 HydrophobicContact CB-CD1 4.22Å; D588-V731 PolarHBondContact N-O 3.21Å; D588-S732 PolarHBondContact N-OG 2.93Å; D588-S732 VanDerWaalsContact N-OG 3.14Å
589	L	98.7	Very high	97.2	Very high	10 Å²	10	47.9 Å²	47.9	5%	0.052	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	142.3	172	-59.1	176.8	0	0	0	109.9	M586 T587 V665 K691 V731 L733	M586-L589 HydrophobicContact CB-CD1 3.82Å; M586-L589 HydrophobicContact CB-CD2 4.26Å; M586-L589 HydrophobicContact CB-CG 4.17Å; M586-L589 HydrophobicContact SD-CD1 4.43Å; T587-L589 PolarHBondContact O-N 3.43Å; T587-L589 VanDerWaalsContact O-N 3.09Å; L589-V665 HydrophobicContact CB-CG1 4.17Å; L589-V665 HydrophobicContact CD1-CG1 3.48Å; L589-V665 VanDerWaalsContact CD1-CG1 3.48Å; L589-V665 HydrophobicContact CG-CG1 4.49Å; L589-K691 HydrophobicContact CD1-CB 4.09Å; L589-K691 HydrophobicContact CD2-CB 4.39Å; L589-K691 HydrophobicContact CD2-CG 3.97Å; L589-V731 HydrophobicContact CB-CB 4.34Å; L589-V731 VanDerWaalsContact CB-O 3.3Å; L589-V731 WeakPolarHBondContact CB-O 3.45Å; L589-V731 PolarHBondContact N-O 3.31Å; L589-V731 PolarHBondContact O-N 3.19Å; L589-L733 HydrophobicContact CD1-CD1 4.44Å
590	L	98.7	Very high	97.2	Very high	7 Å²	7	40.8 Å²	40.8	4%	0.037	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	145	175.8	-65.4	168.7	0	0	0	110.6	L592 R642 L643 Y657 R662 G663 W664 V665 L730	L590-L592 PolarHBondContact O-N 2.9Å; L590-R642 HydrophobicContact CD2-CB 4.09Å; L590-L643 HydrophobicContact CD1-CD1 4.33Å; L590-L643 HydrophobicContact CD1-CD2 4.23Å; L590-L643 HydrophobicContact CD1-CG 4.15Å; L590-Y657 HydrophobicContact CB-CD2 4.25Å; L590-Y657 HydrophobicContact CB-CE2 3.93Å; L590-Y657 HydrophobicContact CD1-CD1 3.63Å; L590-Y657 HydrophobicContact CD1-CD2 3.82Å; L590-Y657 HydrophobicContact CD1-CE1 3.6Å; L590-Y657 HydrophobicContact CD1-CE2 3.78Å; L590-Y657 HydrophobicContact CD1-CG 3.75Å; L590-Y657 HydrophobicContact CG-CE2 4.48Å; L590-R662 HydrophobicContact CD1-CB 3.83Å; L590-R662 HydrophobicContact CD1-CG 4.28Å; L590-G663 PolarHBondContact N-O 3.37Å; L590-G663 VanDerWaalsContact N-O 3.08Å; L590-W664 HydrophobicContact CB-CB 4.32Å; L590-W664 CarbonylContact O-C 3.58Å; L590-W664 WeakPolarHBondContact O-CA 3.29Å; L590-W664 VanDerWaalsContact O-CB 3.22Å; L590-W664 WeakPolarHBondContact O-CB 3.15Å; L590-V665 PolarHBondContact O-N 3.33Å; L590-L730 HydrophobicContact CD2-CD2 3.84Å
591	V	98.7	Very high	97.2	Very high	5 Å²	5	37.7 Å²	37.7	3%	0.03	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	111.7	163.1	-176.8	0	0	0	0	108.4	V665 F667 V731	V591-V665 HydrophobicContact CG2-CG2 4.38Å; V591-F667 HydrophobicContact CG1-CD2 3.95Å; V591-F667 HydrophobicContact CG1-CE2 4.34Å; V591-F667 HydrophobicContact CG2-CD2 4.22Å; V591-F667 HydrophobicContact CG2-CE2 3.75Å; V591-V731 HydrophobicContact CG2-CG2 3.78Å
592	L	98.7	Very high	96.9	Very high	6 Å²	6	36.6 Å²	36.6	3%	0.031	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	-46.3	174.5	176.5	63.9	0	0	0	110.4	L590 M624 F625 V650 V653 A654 Y657 W664 V665 V666	L590-L592 PolarHBondContact O-N 2.9Å; L592-M624 HydrophobicContact CD2-CE 3.72Å; L592-F625 HydrophobicContact CD2-CD2 4.38Å; L592-V650 HydrophobicContact CD1-CG1 4.18Å; L592-V650 HydrophobicContact CD2-CG1 3.84Å; L592-V650 HydrophobicContact CG-CG1 4.03Å; L592-V653 HydrophobicContact CD1-CB 4.21Å; L592-V653 HydrophobicContact CD1-CG1 3.85Å; L592-A654 HydrophobicContact CD1-CB 4.13Å; L592-A654 HydrophobicContact CD2-CB 4.03Å; L592-Y657 HydrophobicContact CD1-CD2 4.35Å; L592-Y657 HydrophobicContact CD1-CE2 4.13Å; L592-W664 HydrophobicContact CB-CB 4.14Å; L592-W664 HydrophobicContact CB-CD2 3.87Å; L592-W664 HydrophobicContact CB-CE3 3.74Å; L592-W664 HydrophobicContact CB-CG 4.07Å; L592-W664 HydrophobicContact CB-CZ3 4.45Å; L592-W664 HydrophobicContact CD2-CD2 3.79Å; L592-W664 HydrophobicContact CD2-CE3 3.75Å; L592-W664 HydrophobicContact CD2-CH2 3.77Å; L592-W664 HydrophobicContact CD2-CZ2 3.82Å; L592-W664 HydrophobicContact CD2-CZ3 3.77Å; L592-W664 HydrophobicContact CG-CD2 4.4Å; L592-W664 HydrophobicContact CG-CE3 4.4Å; L592-V665 PolarHBondContact N-O 3.18Å; L592-V666 HydrophobicContact CB-CG2 4.15Å; L592-V666 HydrophobicContact CD2-CG2 4.29Å
593	M	98	Very high	96.9	Very high	3 Å²	3	32.5 Å²	32.5	2%	0.015	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	140.5	-178.2	-169.6	-176	-114.2	0	0	109.9	I595 F625 A628 N630 V639 V650 V666 F667	M593-I595 HydrophobicContact CB-CG1 4.45Å; M593-I595 HydrophobicContact CG-CG1 3.88Å; M593-I595 HydrophobicContact SD-CD1 4.26Å; M593-I595 HydrophobicContact SD-CG1 3.6Å; M593-I595 VanDerWaalsContact SD-CG1 3.6Å; M593-F625 HydrophobicContact SD-CB 4.45Å; M593-A628 HydrophobicContact CE-CB 4.29Å; M593-A628 HydrophobicContact SD-CB 3.76Å; M593-N630 HydrophobicContact CE-CB 3.85Å; M593-N630 HydrophobicContact CG-CB 4.27Å; M593-V639 HydrophobicContact CB-CG1 4.16Å; M593-V639 HydrophobicContact CE-CG1 3.68Å; M593-V639 HydrophobicContact CG-CG1 4.03Å; M593-V650 HydrophobicContact CE-CG2 3.48Å; M593-V650 VanDerWaalsContact CE-CG2 3.48Å; M593-V666 WeakPolarHBondContact O-CA 3.18Å; M593-F667 PolarHBondContact O-N 3.23Å; M593-F667 VanDerWaalsContact O-N 3.09Å
594	K	98.4	Very high	96.9	Very high	8 Å²	8	31.4 Å²	31.4	4%	0.035	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	111.2	163.2	-175.9	167.2	176.2	-146	0	107.3	E631 F667 Y722 V725	K594-E631 HydrophobicContact CB-CB 4.43Å; K594-E631 WeakPolarHBondContact CD-OE2 3.34Å; K594-E631 WeakPolarHBondContact CE-OE2 3.45Å; K594-E631 HydrophobicContact CG-CB 4.31Å; K594-E631 WeakPolarHBondContact CG-OE2 3.46Å; K594-E631 IonicContact NZ-OE1 2.88Å; K594-E631 IonicContact NZ-OE2 2.75Å; K594-E631 PolarHBondContact NZ-OE2 3.25Å; K594-E631 WeakPolarHBondContact O-CB 3.26Å; K594-E631 PolarHBondContact O-N 2.87Å; K594-F667 HydrophobicContact CB-CB 4.45Å; K594-F667 HydrophobicContact CG-CB 4.1Å; K594-Y722 WeakPolarHBondContact CE-O 3.15Å; K594-Y722 HydrophobicContact CG-CE2 4.11Å; K594-Y722 WeakPolarHBondContact CG-OH 3.37Å; K594-Y722 PolarHBondContact NZ-O 3.15Å; K594-V725 HydrophobicContact CD-CB 4.16Å; K594-V725 HydrophobicContact CD-CG1 4.02Å; K594-V725 WeakPolarHBondContact CE-O 3.29Å; K594-V725 PolarHBondContact NZ-O 3.41Å
595	I	98.3	Very high	96.9	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.005	14%	0.142	C	C	.	.	B	Isolated β-bridge	trans	-88.8	127.7	-168.8	-63	168.5	0	0	0	109.6	M593 C599 F625 A628 I629 V666 F667 Y672 Y722	M593-I595 HydrophobicContact CB-CG1 4.45Å; M593-I595 HydrophobicContact CG-CG1 3.88Å; M593-I595 HydrophobicContact SD-CD1 4.26Å; M593-I595 HydrophobicContact SD-CG1 3.6Å; M593-I595 VanDerWaalsContact SD-CG1 3.6Å; I595-C599 HydrophobicContact CG2-CB 3.89Å; I595-F625 HydrophobicContact CD1-CD1 4.07Å; I595-F625 HydrophobicContact CD1-CE1 3.9Å; I595-A628 HydrophobicContact CD1-CB 4.15Å; I595-A628 HydrophobicContact CG1-CB 4.2Å; I595-A628 HydrophobicContact CG2-CB 4.32Å; I595-I629 WeakPolarHBondContact CA-O 3.5Å; I595-V666 HydrophobicContact CD1-CG1 3.42Å; I595-V666 VanDerWaalsContact CD1-CG1 3.42Å; I595-V666 HydrophobicContact CG1-CG1 4.07Å; I595-F667 WeakPolarHBondContact CB-O 3.42Å; I595-F667 PolarHBondContact N-O 3.05Å; I595-Y672 HydrophobicContact CD1-CD2 4.49Å; I595-Y672 HydrophobicContact CD1-CE2 3.73Å; I595-Y722 PolarHBondContact O-OH 2.88Å
596	K	96.3	Very high	96.7	Very high	116 Å²	116	24.9 Å²	24.9	50%	0.504	14%	0.135	S	C	.	.			trans	-92.9	129.8	175.3	-175	176.2	-179	174.9	0	111.1	I629 E631	K596-I629 HydrophobicContact CB-CG2 4.18Å; K596-I629 PolarHBondContact N-O 3.41Å; K596-E631 HydrophobicContact CB-CB 4.14Å; K596-E631 HydrophobicContact CB-CG 4.43Å
597	G	94.6	Very high	96.3	Very high	30 Å²	30	24.2 Å²	24.2	31%	0.309	13%	0.133	S	C	.	.	S	Bend	trans	71.2	-150.4	173	0	0	0	0	0	114.5	C599 E669	G597-C599 PolarHBondContact O-N 2.93Å; G597-E669 WeakPolarHBondContact CA-OE1 3.06Å; G597-E669 PolarHBondContact N-OE1 3.33Å
598	K	93.7	Very high	95.8	Very high	78 Å²	78	20.2 Å²	20.2	34%	0.339	11%	0.11	S	C	.	.			trans	-66.4	121.2	-174.4	-177.3	170.9	-175.5	155.9	0	111.6	T600 H603 E674	K598-T600 HydrophobicContact CD-CG2 4.25Å; K598-T600 HydrophobicContact CG-CG2 4.02Å; K598-H603 PolarHBondContact O-CE1 3.12Å; K598-H603 VanDerWaalsContact O-CE1 3.26Å; K598-H603 PolarHBondContact O-ND1 3.21Å; K598-E674 VanDerWaalsContact CE-CD 3.44Å; K598-E674 WeakPolarHBondContact CE-OE1 3.08Å; K598-E674 VanDerWaalsContact CE-OE2 3.27Å; K598-E674 WeakPolarHBondContact CE-OE2 3.43Å; K598-E674 IonicContact NZ-OE1 3.85Å; K598-E674 PolarHBondContact NZ-OE1 2.88Å; K598-E674 IonicContact NZ-OE2 2.69Å; K598-E674 PolarHBondContact NZ-OE2 2.84Å
599	C	96	Very high	95.4	Very high	2 Å²	2	21.1 Å²	21.1	1%	0.014	12%	0.12	C	C	.	.			trans	-119.5	98.1	174	-162.3	0	0	0	0	111.1	I595 G597 H603 Y672 G673	I595-C599 HydrophobicContact CG2-CB 3.89Å; G597-C599 PolarHBondContact O-N 2.93Å; C599-H603 WeakPolarHBondContact CA-ND1 3.38Å; C599-Y672 HydrophobicContact CB-CD2 3.68Å; C599-Y672 HydrophobicContact CB-CE2 4.02Å; C599-G673 PolarHBondContact O-N 3.37Å
600	T	94.8	Very high	95.2	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.127	C	C	.	.	B	Isolated β-bridge	trans	-85.7	166.7	177.5	69.5	0	0	0	0	110.7	F483 K598 D602 H603 I604 E674	F483-T600 HydrophobicContact CD2-CG2 3.92Å; F483-T600 HydrophobicContact CE2-CG2 3.89Å; F483-T600 HydrophobicContact CG-CG2 4.38Å; F483-T600 HydrophobicContact CZ-CG2 4.3Å; K598-T600 HydrophobicContact CD-CG2 4.25Å; K598-T600 HydrophobicContact CG-CG2 4.02Å; T600-D602 PolarHBondContact O-N 3.36Å; T600-D602 PolarHBondContact OG1-N 3.1Å; T600-H603 PolarHBondContact N-ND1 3.13Å; T600-H603 VanDerWaalsContact N-ND1 3.11Å; T600-H603 WeakPolarHBondContact O-CA 3.37Å; T600-H603 WeakPolarHBondContact O-CB 3.4Å; T600-H603 PolarHBondContact O-N 3.31Å; T600-H603 PolarHBondContact OG1-N 3.27Å; T600-I604 WeakPolarHBondContact O-CG1 3.46Å; T600-I604 PolarHBondContact O-N 3Å; T600-I604 VanDerWaalsContact O-N 3.15Å; T600-E674 CarbonylContact C-O 3.59Å; T600-E674 WeakPolarHBondContact CA-O 3.47Å; T600-E674 VanDerWaalsContact CB-O 3.25Å; T600-E674 WeakPolarHBondContact CB-O 3.46Å; T600-E674 HydrophobicContact CG2-CB 4.36Å
601	T	96.4	Very high	95	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.006	13%	0.126	C	C	.	.	H	α-helix	trans	-63.9	-17.9	171.4	54.2	0	0	0	0	113.7	S605 G673 E674 S676 A681	T601-S605 CarbonylContact O-C 3.39Å; T601-S605 PolarHBondContact O-N 2.82Å; T601-S605 VanDerWaalsContact O-O 3.13Å; T601-G673 WeakPolarHBondContact CG2-O 3.38Å; T601-E674 PolarHBondContact N-O 3.45Å; T601-S676 WeakPolarHBondContact CG2-O 3.01Å; T601-S676 WeakPolarHBondContact OG1-CA 3.46Å; T601-S676 WeakPolarHBondContact OG1-CB 3.34Å; T601-S676 PolarHBondContact OG1-N 3.38Å; T601-S676 PolarHBondContact OG1-O 2.84Å; T601-A681 HydrophobicContact CG2-CB 4.03Å
602	D	92	Very high	94.9	Very high	24 Å²	24	27.6 Å²	27.6	13%	0.128	15%	0.145	C	C	.	.	H	α-helix	trans	-74.4	-26.7	169.2	-77.3	-64.5	0	0	0	112.2	R486 T600 A606 R678	R486-D602 IonicContact CZ-OD2 3.79Å; R486-D602 IonicContact NH1-OD1 3.07Å; R486-D602 PolarHBondContact NH1-OD1 3Å; R486-D602 IonicContact NH1-OD2 3.99Å; R486-D602 PolarHBondContact NH1-OD2 2.76Å; T600-D602 PolarHBondContact O-N 3.36Å; T600-D602 PolarHBondContact OG1-N 3.1Å; D602-A606 WeakPolarHBondContact O-CA 3.26Å; D602-R678 IonicContact OD1-CZ 3.94Å; D602-R678 VanDerWaalsContact OD1-CZ 3.26Å; D602-R678 IonicContact OD1-NH1 3.5Å; D602-R678 PolarHBondContact OD1-NH1 2.67Å; D602-R678 IonicContact OD1-NH2 3.93Å; D602-R678 PolarHBondContact OD1-NH2 3.25Å; D602-R678 IonicContact OD2-NH2 3.06Å
603	H	95	Very high	94.9	Very high	35 Å²	35	29.1 Å²	29.1	16%	0.162	15%	0.152	C	C	.	.	H	α-helix	trans	-75.4	-34.6	171.7	-58.5	153.9	0	0	0	111.9	K598 C599 T600 F625 G627	K598-H603 PolarHBondContact O-CE1 3.12Å; K598-H603 VanDerWaalsContact O-CE1 3.26Å; K598-H603 PolarHBondContact O-ND1 3.21Å; C599-H603 WeakPolarHBondContact CA-ND1 3.38Å; T600-H603 PolarHBondContact N-ND1 3.13Å; T600-H603 VanDerWaalsContact N-ND1 3.11Å; T600-H603 WeakPolarHBondContact O-CA 3.37Å; T600-H603 WeakPolarHBondContact O-CB 3.4Å; T600-H603 PolarHBondContact O-N 3.31Å; T600-H603 PolarHBondContact OG1-N 3.27Å; H603-F625 CarbonylContact O-C 3.43Å; H603-F625 WeakPolarHBondContact O-CA 3.37Å; H603-G627 PolarHBondContact CD2-O 3.18Å; H603-G627 PolarHBondContact O-N 3.32Å
604	I	98.1	Very high	94.9	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-77.8	-49.1	179.5	-53.1	170.5	0	0	0	111.5	T600 M624 F625 Y672 A681	T600-I604 WeakPolarHBondContact O-CG1 3.46Å; T600-I604 PolarHBondContact O-N 3Å; T600-I604 VanDerWaalsContact O-N 3.15Å; I604-M624 CarbonylContact O-C 3.56Å; I604-M624 VanDerWaalsContact O-CA 3.3Å; I604-M624 WeakPolarHBondContact O-CA 2.96Å; I604-F625 HydrophobicContact CB-CD1 4.32Å; I604-F625 HydrophobicContact CB-CE1 4.16Å; I604-F625 HydrophobicContact CG1-CD1 4.16Å; I604-F625 HydrophobicContact CG1-CE1 3.78Å; I604-F625 HydrophobicContact CG2-CD1 4.13Å; I604-F625 HydrophobicContact CG2-CE1 3.74Å; I604-F625 HydrophobicContact CG2-CZ 4.04Å; I604-F625 PolarHBondContact O-N 2.81Å; I604-Y672 HydrophobicContact CD1-CE1 3.81Å; I604-Y672 HydrophobicContact CD1-CE2 4.14Å; I604-A681 HydrophobicContact CB-CB 4.06Å; I604-A681 HydrophobicContact CD1-CB 4.39Å; I604-A681 HydrophobicContact CG2-CB 3.81Å; I604-A681 WeakPolarHBondContact CG2-O 3.12Å
605	S	97.5	Very high	94.8	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.15	C	C	.	.	B	Isolated β-bridge	trans	-141.3	86.3	-174.9	171.7	0	0	0	0	109.3	T601 R614 N623 R678 E684	T601-S605 CarbonylContact O-C 3.39Å; T601-S605 PolarHBondContact O-N 2.82Å; T601-S605 VanDerWaalsContact O-O 3.13Å; S605-R614 PolarHBondContact O-NH2 3.03Å; S605-R614 PolarHBondContact OG-NH1 3.05Å; S605-N623 WeakPolarHBondContact CA-OD1 3.08Å; S605-R678 VanDerWaalsContact O-CD 3.27Å; S605-R678 WeakPolarHBondContact O-CD 3.33Å; S605-R678 PolarHBondContact O-NH1 2.77Å; S605-E684 WeakPolarHBondContact CB-OE1 3.32Å; S605-E684 PolarHBondContact OG-OE1 2.95Å
606	A	92.5	Very high	94.8	Very high	20 Å²	20	29.4 Å²	29.4	17%	0.165	15%	0.153	C	C	.	.			trans	-56.4	152.3	-172.7	0	0	0	0	0	113.6	D602 W610 R614 N623 I626	D602-A606 WeakPolarHBondContact O-CA 3.26Å; A606-W610 WeakPolarHBondContact O-CB 3.47Å; A606-R614 PolarHBondContact O-NH2 2.88Å; A606-N623 PolarHBondContact N-ND2 2.95Å; A606-N623 PolarHBondContact O-ND2 2.93Å; A606-N623 VanDerWaalsContact O-ND2 3.12Å; A606-I626 HydrophobicContact CB-CD1 4.43Å
607	A	90.6	Very high	94.9	Very high	8 Å²	8	24.2 Å²	24.2	7%	0.066	13%	0.13	C	C	.	.			trans	-92.8	-132.7	174	0	0	0	0	0	111.4	I459 P609 W610 L611	I459-A607 HydrophobicContact CD1-CB 3.66Å; I459-A607 HydrophobicContact CG1-CB 4.02Å; A607-P609 WeakPolarHBondContact O-CD 3.07Å; A607-P609 VanDerWaalsContact O-N 3.17Å; A607-W610 WeakPolarHBondContact O-CB 3.5Å; A607-W610 PolarHBondContact O-N 2.96Å; A607-L611 HydrophobicContact CB-CD2 4.13Å; A607-L611 HydrophobicContact CB-CG 4.3Å
608	G	87.5	Confident	95.1	Very high	7 Å²	7	24.7 Å²	24.7	7%	0.072	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	50.6	-117.8	179.7	0	0	0	0	0	112.6	I459 Q461 W610 L611	I459-G608 PolarHBondContact O-N 2.72Å; Q461-G608 PolarHBondContact NE2-O 2.82Å; G608-W610 PolarHBondContact O-N 2.91Å; G608-W610 VanDerWaalsContact O-N 3.12Å; G608-L611 WeakPolarHBondContact O-CB 3.34Å; G608-L611 WeakPolarHBondContact O-CG 3.16Å; G608-L611 PolarHBondContact O-N 3.37Å; G608-L611 VanDerWaalsContact O-N 3.15Å
609	P	89.4	Confident	95.3	Very high	83 Å²	83	22.1 Å²	22.1	54%	0.539	12%	0.116	S	C	.	.	G	3₁₀ helix	trans	-64.6	-17.9	-176.4	28.7	-36.5	0	0	0	114	A607 L611 K612	A607-P609 WeakPolarHBondContact O-CD 3.07Å; A607-P609 VanDerWaalsContact O-N 3.17Å; P609-L611 VanDerWaalsContact C-N 3.33Å; P609-K612 WeakPolarHBondContact O-CD 3.37Å; P609-K612 WeakPolarHBondContact O-CE 3.38Å; P609-K612 VanDerWaalsContact O-CG 3.3Å; P609-K612 WeakPolarHBondContact O-CG 3.49Å
610	W	94.6	Very high	95.5	Very high	56 Å²	56	22 Å²	22	21%	0.212	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-80.4	-14.6	179.4	-63.3	104.3	0	0	0	113.5	A606 A607 G608 K612 F613 N622 N623 I626	A606-W610 WeakPolarHBondContact O-CB 3.47Å; A607-W610 WeakPolarHBondContact O-CB 3.5Å; A607-W610 PolarHBondContact O-N 2.96Å; G608-W610 PolarHBondContact O-N 2.91Å; G608-W610 VanDerWaalsContact O-N 3.12Å; W610-K612 PolarHBondContact O-N 2.94Å; W610-K612 VanDerWaalsContact O-N 3.13Å; W610-F613 AromaticContact CE3-CD2 3.99Å; W610-F613 HydrophobicContact CE3-CD2 3.99Å; W610-F613 HydrophobicContact CZ3-CD2 4.32Å; W610-F613 PolarHBondContact O-N 3.35Å; W610-N622 HydrophobicContact CH2-CB 3.94Å; W610-N622 WeakPolarHBondContact CH2-O 3.31Å; W610-N622 HydrophobicContact CZ3-CB 3.95Å; W610-N623 VanDerWaalsContact CB-ND2 3.29Å; W610-N623 WeakPolarHBondContact CB-ND2 3.47Å; W610-N623 HydrophobicContact CD2-CB 3.39Å; W610-N623 HydrophobicContact CE3-CB 3.69Å; W610-N623 HydrophobicContact CG-CB 3.92Å; W610-N623 HydrophobicContact CH2-CB 3.8Å; W610-N623 HydrophobicContact CZ2-CB 3.51Å; W610-N623 HydrophobicContact CZ3-CB 3.89Å; W610-I626 HydrophobicContact CZ2-CD1 4.17Å
611	L	94.8	Very high	95.6	Very high	2 Å²	2	22 Å²	22	1%	0.01	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-59.1	-27.2	178.3	-67.3	177.3	0	0	0	112.7	A108 L136 I459 Q461 A607 G608 P609 F613 R614	A108-L611 HydrophobicContact CB-CD2 4.01Å; L136-L611 HydrophobicContact CD2-CB 3.97Å; I459-L611 HydrophobicContact CG1-CD1 3.93Å; I459-L611 HydrophobicContact CG2-CD1 4.21Å; Q461-L611 HydrophobicContact CG-CD1 3.62Å; A607-L611 HydrophobicContact CB-CD2 4.13Å; A607-L611 HydrophobicContact CB-CG 4.3Å; G608-L611 WeakPolarHBondContact O-CB 3.34Å; G608-L611 WeakPolarHBondContact O-CG 3.16Å; G608-L611 PolarHBondContact O-N 3.37Å; G608-L611 VanDerWaalsContact O-N 3.15Å; P609-L611 VanDerWaalsContact C-N 3.33Å; L611-F613 PolarHBondContact O-N 3.25Å; L611-R614 HydrophobicContact CD2-CG 4.06Å; L611-R614 WeakPolarHBondContact O-CG 3.32Å; L611-R614 PolarHBondContact O-N 2.9Å
612	K	95.9	Very high	95.7	Very high	99 Å²	99	25 Å²	25	43%	0.43	13%	0.131	S	C	.	.	G	3₁₀ helix	trans	-60.6	-24.3	174.3	74.8	-168.6	176.4	175	0	113.3	R571 P609 W610	R571-K612 WeakPolarHBondContact CD-O 3.44Å; R571-K612 PolarHBondContact NE-O 3.46Å; P609-K612 WeakPolarHBondContact O-CD 3.37Å; P609-K612 WeakPolarHBondContact O-CE 3.38Å; P609-K612 VanDerWaalsContact O-CG 3.3Å; P609-K612 WeakPolarHBondContact O-CG 3.49Å; W610-K612 PolarHBondContact O-N 2.94Å; W610-K612 VanDerWaalsContact O-N 3.13Å
613	F	98	Very high	96	Very high	39 Å²	39	23.9 Å²	23.9	17%	0.171	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-103.3	11.8	-177.9	-59.4	-49.9	0	0	0	113.9	Q570 W610 L611 G615 H616 N619 I620	Q570-F613 WeakPolarHBondContact O-CD1 3.3Å; Q570-F613 WeakPolarHBondContact O-CE1 3.34Å; W610-F613 AromaticContact CE3-CD2 3.99Å; W610-F613 HydrophobicContact CE3-CD2 3.99Å; W610-F613 HydrophobicContact CZ3-CD2 4.32Å; W610-F613 PolarHBondContact O-N 3.35Å; L611-F613 PolarHBondContact O-N 3.25Å; F613-G615 PolarHBondContact O-N 3.36Å; F613-G615 VanDerWaalsContact O-N 3.13Å; F613-H616 CarbonylContact O-C 3.47Å; F613-H616 PolarHBondContact O-N 3.48Å; F613-N619 HydrophobicContact CB-CB 4.06Å; F613-N619 HydrophobicContact CD1-CB 3.81Å; F613-N619 HydrophobicContact CD2-CB 4.28Å; F613-N619 HydrophobicContact CE1-CB 4.24Å; F613-N619 HydrophobicContact CG-CB 3.82Å; F613-I620 HydrophobicContact CB-CB 3.93Å
614	R	97.7	Very high	96.2	Very high	4 Å²	4	22.2 Å²	22.2	2%	0.015	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-23.6	-176.5	-77.7	-79.7	-178.6	-145.3	-14	114.5	A108 M112 S605 A606 L611 I620 H680	A108-R614 HydrophobicContact CB-CG 4.26Å; A108-R614 VanDerWaalsContact O-CB 3.25Å; A108-R614 WeakPolarHBondContact O-CB 3.5Å; A108-R614 WeakPolarHBondContact O-CD 3.44Å; A108-R614 WeakPolarHBondContact O-CG 3.25Å; M112-R614 WeakPolarHBondContact CE-O 3.43Å; S605-R614 PolarHBondContact O-NH2 3.03Å; S605-R614 PolarHBondContact OG-NH1 3.05Å; A606-R614 PolarHBondContact O-NH2 2.88Å; L611-R614 HydrophobicContact CD2-CG 4.06Å; L611-R614 WeakPolarHBondContact O-CG 3.32Å; L611-R614 PolarHBondContact O-N 2.9Å; R614-I620 HydrophobicContact CG-CD1 4.06Å; R614-H680 WeakPolarHBondContact CD-CE1 3.43Å; R614-H680 PolarHBondContact NH1-ND1 2.77Å; R614-H680 PolarHBondContact O-NE2 3.12Å
615	G	98.1	Very high	96.2	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.118	C	C	.	.	B	Isolated β-bridge	trans	-91.9	0.7	171.9	0	0	0	0	0	115.1	L115 R571 L572 Q573 F613	L115-G615 WeakPolarHBondContact CD1-O 3.48Å; R571-G615 CarbonylContact O-C 3.48Å; R571-G615 VanDerWaalsContact O-C 3.27Å; R571-G615 WeakPolarHBondContact O-CA 3.32Å; L572-G615 CarbonylContact C-O 3.56Å; L572-G615 WeakPolarHBondContact CA-O 3.42Å; Q573-G615 PolarHBondContact N-O 3.38Å; F613-G615 PolarHBondContact O-N 3.36Å; F613-G615 VanDerWaalsContact O-N 3.13Å
616	H	98.3	Very high	96.1	Very high	14 Å²	14	24.3 Å²	24.3	7%	0.065	13%	0.128	C	C	.	.			trans	-127.1	95.1	-175.8	-167.3	-49.5	0	0	0	111.1	S569 R571 Q573 F613 D618 N619 I620	S569-H616 PolarHBondContact O-CD2 3.43Å; S569-H616 PolarHBondContact O-NE2 2.99Å; R571-H616 PolarHBondContact O-N 2.89Å; Q573-H616 HydrophobicContact CB-CB 4.2Å; Q573-H616 VanDerWaalsContact CD-CE1 3.44Å; Q573-H616 PolarHBondContact OE1-CE1 2.93Å; Q573-H616 PolarHBondContact OE1-ND1 3.2Å; F613-H616 CarbonylContact O-C 3.47Å; F613-H616 PolarHBondContact O-N 3.48Å; H616-D618 PolarHBondContact O-N 2.88Å; H616-N619 HydrophobicContact CB-CB 4.23Å; H616-N619 PolarHBondContact ND1-N 2.75Å; H616-N619 PolarHBondContact O-N 3.3Å; H616-I620 PolarHBondContact O-N 3.39Å
617	L	98.3	Very high	96.2	Very high	6 Å²	6	24 Å²	24	3%	0.031	13%	0.128	C	C	.	.	H	α-helix	trans	-59.6	-41.6	-170	-177.5	54.9	0	0	0	113.3	M112 L575 F578 I620 S621 L683 E684 Y687	M112-L617 HydrophobicContact CE-CB 4.28Å; L575-L617 HydrophobicContact CD2-CB 4.35Å; L575-L617 HydrophobicContact CD2-CD2 3.95Å; F578-L617 HydrophobicContact CZ-CD2 4.1Å; L617-I620 HydrophobicContact CD1-CG2 4.36Å; L617-I620 WeakPolarHBondContact O-CG2 3.42Å; L617-S621 WeakPolarHBondContact O-CB 3.17Å; L617-S621 PolarHBondContact O-N 2.83Å; L617-S621 VanDerWaalsContact O-N 3.09Å; L617-S621 PolarHBondContact O-OG 2.88Å; L617-L683 HydrophobicContact CD1-CB 3.6Å; L617-L683 HydrophobicContact CD2-CB 4.36Å; L617-E684 HydrophobicContact CD1-CG 4.26Å; L617-Y687 HydrophobicContact CD2-CD2 3.92Å; L617-Y687 HydrophobicContact CD2-CG 4.13Å; L617-Y687 HydrophobicContact CG-CD2 4.1Å; L617-Y687 HydrophobicContact CG-CG 4.01Å
618	D	98.2	Very high	96.5	Very high	41 Å²	41	23.7 Å²	23.7	22%	0.219	13%	0.125	C	C	.	.	H	α-helix	trans	-65.2	-44.5	179.6	-172.6	41.3	0	0	0	112.8	Q573 H616 S621 R655 Y687	Q573-D618 VanDerWaalsContact OE1-N 3.17Å; H616-D618 PolarHBondContact O-N 2.88Å; D618-S621 PolarHBondContact O-N 2.74Å; D618-R655 PolarHBondContact O-NH2 3.31Å; D618-R655 IonicContact OD1-CZ 3.2Å; D618-R655 IonicContact OD1-NH1 2.68Å; D618-R655 PolarHBondContact OD1-NH1 2.94Å; D618-R655 IonicContact OD1-NH2 3.75Å; D618-R655 PolarHBondContact OD1-NH2 2.69Å; D618-Y687 HydrophobicContact CB-CE1 4.05Å; D618-Y687 WeakPolarHBondContact CB-OH 3.32Å; D618-Y687 WeakPolarHBondContact OD1-CE1 3.47Å; D618-Y687 VanDerWaalsContact OD1-CZ 3.31Å; D618-Y687 PolarHBondContact OD1-OH 2.67Å
619	N	98.4	Very high	97	Very high	24 Å²	24	26.1 Å²	26.1	13%	0.128	14%	0.135	C	C	.	.	H	α-helix	trans	-66.3	-43.9	179.7	-79.5	-12	0	0	0	112.2	Q570 F613 H616 S621 N622	Q570-N619 PolarHBondContact O-ND2 3.31Å; Q570-N619 VanDerWaalsContact O-ND2 3.14Å; Q570-N619 PolarHBondContact OE1-ND2 2.99Å; Q570-N619 VanDerWaalsContact OE1-ND2 3.1Å; F613-N619 HydrophobicContact CB-CB 4.06Å; F613-N619 HydrophobicContact CD1-CB 3.81Å; F613-N619 HydrophobicContact CD2-CB 4.28Å; F613-N619 HydrophobicContact CE1-CB 4.24Å; F613-N619 HydrophobicContact CG-CB 3.82Å; H616-N619 HydrophobicContact CB-CB 4.23Å; H616-N619 PolarHBondContact ND1-N 2.75Å; H616-N619 PolarHBondContact O-N 3.3Å; N619-S621 VanDerWaalsContact C-N 3.31Å; N619-S621 PolarHBondContact O-N 3.19Å; N619-N622 WeakPolarHBondContact O-CB 3.44Å; N619-N622 PolarHBondContact O-N 2.94Å; N619-N622 PolarHBondContact O-ND2 2.87Å; N619-N622 VanDerWaalsContact O-ND2 3.14Å
620	I	98.5	Very high	97.4	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-69	-30.9	179.3	-162.2	165.7	0	0	0	112.4	F613 R614 H616 L617 N622 N623 H680 E684	F613-I620 HydrophobicContact CB-CB 3.93Å; R614-I620 HydrophobicContact CG-CD1 4.06Å; H616-I620 PolarHBondContact O-N 3.39Å; L617-I620 HydrophobicContact CD1-CG2 4.36Å; L617-I620 WeakPolarHBondContact O-CG2 3.42Å; I620-N622 PolarHBondContact O-N 2.65Å; I620-N623 VanDerWaalsContact O-CG 3.23Å; I620-N623 PolarHBondContact O-N 2.88Å; I620-N623 PolarHBondContact O-OD1 2.68Å; I620-H680 HydrophobicContact CD1-CB 4.46Å; I620-E684 HydrophobicContact CG2-CG 4.11Å
621	S	98.6	Very high	97.5	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-58.1	-12.8	176.2	-61.1	0	0	0	0	114.1	L617 D618 N619 N623 M624 E684 Y687 L688	L617-S621 WeakPolarHBondContact O-CB 3.17Å; L617-S621 PolarHBondContact O-N 2.83Å; L617-S621 VanDerWaalsContact O-N 3.09Å; L617-S621 PolarHBondContact O-OG 2.88Å; D618-S621 PolarHBondContact O-N 2.74Å; N619-S621 VanDerWaalsContact C-N 3.31Å; N619-S621 PolarHBondContact O-N 3.19Å; S621-N623 PolarHBondContact O-N 2.98Å; S621-M624 WeakPolarHBondContact O-CB 3.24Å; S621-M624 PolarHBondContact O-N 3.06Å; S621-E684 WeakPolarHBondContact CA-OE2 3.3Å; S621-Y687 VanDerWaalsContact OG-CD1 3.32Å; S621-Y687 WeakPolarHBondContact OG-CD1 3.25Å; S621-L688 WeakPolarHBondContact O-CD1 3.37Å
622	N	98.4	Very high	97.7	Very high	64 Å²	64	26.3 Å²	26.3	34%	0.342	13%	0.131	S	C	.	.	G	3₁₀ helix	trans	-73.4	0.6	171.7	-61.7	-42.1	0	0	0	113.7	W610 N619 I620 P651 R655	W610-N622 HydrophobicContact CH2-CB 3.94Å; W610-N622 WeakPolarHBondContact CH2-O 3.31Å; W610-N622 HydrophobicContact CZ3-CB 3.95Å; N619-N622 WeakPolarHBondContact O-CB 3.44Å; N619-N622 PolarHBondContact O-N 2.94Å; N619-N622 PolarHBondContact O-ND2 2.87Å; N619-N622 VanDerWaalsContact O-ND2 3.14Å; I620-N622 PolarHBondContact O-N 2.65Å; N622-P651 WeakPolarHBondContact O-CG 3.48Å; N622-R655 PolarHBondContact OD1-NE 3.01Å; N622-R655 VanDerWaalsContact OD1-NE 3.08Å; N622-R655 PolarHBondContact OD1-NH2 2.75Å
623	N	97.5	Very high	97.7	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-110.6	3	173.2	83.8	11.8	0	0	0	114	S605 A606 W610 I620 S621 F625 I626 E684	S605-N623 WeakPolarHBondContact CA-OD1 3.08Å; A606-N623 PolarHBondContact N-ND2 2.95Å; A606-N623 PolarHBondContact O-ND2 2.93Å; A606-N623 VanDerWaalsContact O-ND2 3.12Å; W610-N623 VanDerWaalsContact CB-ND2 3.29Å; W610-N623 WeakPolarHBondContact CB-ND2 3.47Å; W610-N623 HydrophobicContact CD2-CB 3.39Å; W610-N623 HydrophobicContact CE3-CB 3.69Å; W610-N623 HydrophobicContact CG-CB 3.92Å; W610-N623 HydrophobicContact CH2-CB 3.8Å; W610-N623 HydrophobicContact CZ2-CB 3.51Å; W610-N623 HydrophobicContact CZ3-CB 3.89Å; I620-N623 VanDerWaalsContact O-CG 3.23Å; I620-N623 PolarHBondContact O-N 2.88Å; I620-N623 PolarHBondContact O-OD1 2.68Å; S621-N623 PolarHBondContact O-N 2.98Å; N623-F625 PolarHBondContact O-N 3.09Å; N623-F625 VanDerWaalsContact O-N 3.13Å; N623-I626 HydrophobicContact CB-CD1 4Å; N623-I626 WeakPolarHBondContact O-CG1 3.26Å; N623-I626 WeakPolarHBondContact O-CG2 3.45Å; N623-I626 PolarHBondContact O-N 3.2Å; N623-E684 PolarHBondContact OD1-OE1 2.79Å; N623-E684 PolarHBondContact OD1-OE2 3.39Å
624	M	98.6	Very high	97.7	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.136	C	C	.	.	B	Isolated β-bridge	trans	-56.1	118.3	-177.7	-168.5	-168.6	65.7	0	0	110.9	L592 I604 S621 I626 V650 P651 A654 W664 E684 P685 L688	L592-M624 HydrophobicContact CD2-CE 3.72Å; I604-M624 CarbonylContact O-C 3.56Å; I604-M624 VanDerWaalsContact O-CA 3.3Å; I604-M624 WeakPolarHBondContact O-CA 2.96Å; S621-M624 WeakPolarHBondContact O-CB 3.24Å; S621-M624 PolarHBondContact O-N 3.06Å; M624-I626 PolarHBondContact O-N 2.97Å; M624-V650 HydrophobicContact CE-CG1 4.28Å; M624-P651 WeakPolarHBondContact O-CG 3.25Å; M624-A654 HydrophobicContact CE-CB 3.36Å; M624-W664 HydrophobicContact CE-CH2 4.15Å; M624-W664 HydrophobicContact CE-CZ2 3.89Å; M624-W664 HydrophobicContact SD-CH2 3.97Å; M624-W664 HydrophobicContact SD-CZ2 3.98Å; M624-E684 HydrophobicContact CB-CB 4.3Å; M624-E684 HydrophobicContact CG-CB 4.2Å; M624-E684 PolarHBondContact N-OE2 3.46Å; M624-P685 HydrophobicContact CG-CG 4.31Å; M624-P685 VanDerWaalsContact SD-CA 3.51Å; M624-P685 HydrophobicContact SD-CB 4.27Å; M624-P685 HydrophobicContact SD-CG 3.99Å; M624-L688 HydrophobicContact CB-CD1 4.19Å; M624-L688 HydrophobicContact CE-CB 4.2Å; M624-L688 HydrophobicContact CE-CD1 3.68Å; M624-L688 HydrophobicContact SD-CB 4.15Å; M624-L688 HydrophobicContact SD-CD1 3.84Å; M624-L688 HydrophobicContact SD-CG 4.41Å
625	F	98.1	Very high	97.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	17.1	177.7	-63.5	-63.7	0	0	0	116.9	L592 M593 I595 H603 I604 N623 G627 A628 V650 W664 V666 Y672 P685	L592-F625 HydrophobicContact CD2-CD2 4.38Å; M593-F625 HydrophobicContact SD-CB 4.45Å; I595-F625 HydrophobicContact CD1-CD1 4.07Å; I595-F625 HydrophobicContact CD1-CE1 3.9Å; H603-F625 CarbonylContact O-C 3.43Å; H603-F625 WeakPolarHBondContact O-CA 3.37Å; I604-F625 HydrophobicContact CB-CD1 4.32Å; I604-F625 HydrophobicContact CB-CE1 4.16Å; I604-F625 HydrophobicContact CG1-CD1 4.16Å; I604-F625 HydrophobicContact CG1-CE1 3.78Å; I604-F625 HydrophobicContact CG2-CD1 4.13Å; I604-F625 HydrophobicContact CG2-CE1 3.74Å; I604-F625 HydrophobicContact CG2-CZ 4.04Å; I604-F625 PolarHBondContact O-N 2.81Å; N623-F625 PolarHBondContact O-N 3.09Å; N623-F625 VanDerWaalsContact O-N 3.13Å; F625-G627 PolarHBondContact O-N 2.97Å; F625-G627 VanDerWaalsContact O-N 3.13Å; F625-A628 HydrophobicContact CB-CB 4.22Å; F625-A628 HydrophobicContact CD1-CB 4.1Å; F625-A628 PolarHBondContact O-N 2.94Å; F625-A628 VanDerWaalsContact O-N 3.11Å; F625-V650 HydrophobicContact CB-CB 4.18Å; F625-V650 HydrophobicContact CB-CG1 3.73Å; F625-V650 HydrophobicContact CB-CG2 4.36Å; F625-V650 HydrophobicContact CD2-CG1 4.17Å; F625-V650 HydrophobicContact CG-CG1 4.41Å; F625-W664 HydrophobicContact CE2-CH2 4.23Å; F625-W664 HydrophobicContact CE2-CZ3 4.46Å; F625-V666 HydrophobicContact CE2-CG2 3.93Å; F625-V666 HydrophobicContact CZ-CG1 4.32Å; F625-V666 HydrophobicContact CZ-CG2 4.07Å; F625-Y672 HydrophobicContact CE1-CE2 4.29Å; F625-Y672 WeakPolarHBondContact CE1-OH 3.43Å; F625-Y672 WeakPolarHBondContact CZ-OH 3.42Å; F625-P685 HydrophobicContact CE2-CG 4.13Å; F625-P685 HydrophobicContact CZ-CG 4.27Å
626	I	96.8	Very high	97.5	Very high	43 Å²	43	32.7 Å²	32.7	22%	0.221	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-20.2	-179	69.6	175.8	0	0	0	113.1	A606 W610 N623 M624 N637 P651	A606-I626 HydrophobicContact CB-CD1 4.43Å; W610-I626 HydrophobicContact CZ2-CD1 4.17Å; N623-I626 HydrophobicContact CB-CD1 4Å; N623-I626 WeakPolarHBondContact O-CG1 3.26Å; N623-I626 WeakPolarHBondContact O-CG2 3.45Å; N623-I626 PolarHBondContact O-N 3.2Å; M624-I626 PolarHBondContact O-N 2.97Å; I626-N637 HydrophobicContact CB-CB 4.08Å; I626-N637 HydrophobicContact CG2-CB 4.48Å; I626-N637 WeakPolarHBondContact O-CB 3.22Å; I626-P651 HydrophobicContact CG2-CG 4.02Å
627	G	94.4	Very high	97.4	Very high	15 Å²	15	34.1 Å²	34.1	16%	0.155	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-2.7	177.1	0	0	0	0	0	114.2	H603 F625	H603-G627 PolarHBondContact CD2-O 3.18Å; H603-G627 PolarHBondContact O-N 3.32Å; F625-G627 PolarHBondContact O-N 2.97Å; F625-G627 VanDerWaalsContact O-N 3.13Å
628	A	96.7	Very high	97.4	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.008	20%	0.2	C	C	.	.	S	Bend	trans	-81.2	141.4	179.4	0	0	0	0	0	110.9	M593 I595 F625 M636	M593-A628 HydrophobicContact CE-CB 4.29Å; M593-A628 HydrophobicContact SD-CB 3.76Å; I595-A628 HydrophobicContact CD1-CB 4.15Å; I595-A628 HydrophobicContact CG1-CB 4.2Å; I595-A628 HydrophobicContact CG2-CB 4.32Å; F625-A628 HydrophobicContact CB-CB 4.22Å; F625-A628 HydrophobicContact CD1-CB 4.1Å; F625-A628 PolarHBondContact O-N 2.94Å; F625-A628 VanDerWaalsContact O-N 3.11Å; A628-M636 WeakPolarHBondContact O-CA 3.28Å
629	I	97	Very high	97.4	Very high	58 Å²	58	35.5 Å²	35.5	30%	0.297	19%	0.19	S	C	.	.	B	Isolated β-bridge	trans	-87	119	178.2	-55.6	-69.6	0	0	0	108.9	I595 K596 M636	I595-I629 WeakPolarHBondContact CA-O 3.5Å; K596-I629 HydrophobicContact CB-CG2 4.18Å; K596-I629 PolarHBondContact N-O 3.41Å; I629-M636 HydrophobicContact CD1-CG 3.31Å; I629-M636 HydrophobicContact CD1-SD 4.2Å; I629-M636 HydrophobicContact CG1-CG 4.43Å
630	N	98.1	Very high	97.4	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-74.9	127	173	-178.1	12.9	0	0	0	109.9	M593 E632 N633 G634 E635 K638 V639	M593-N630 HydrophobicContact CE-CB 3.85Å; M593-N630 HydrophobicContact CG-CB 4.27Å; N630-E632 VanDerWaalsContact C-N 3.28Å; N630-E632 PolarHBondContact O-N 2.92Å; N630-E632 PolarHBondContact OD1-N 3.04Å; N630-E632 VanDerWaalsContact OD1-N 3.15Å; N630-N633 WeakPolarHBondContact CB-OD1 3.24Å; N630-N633 PolarHBondContact ND2-OD1 2.81Å; N630-G634 WeakPolarHBondContact O-CA 3.43Å; N630-G634 PolarHBondContact O-N 2.96Å; N630-E635 PolarHBondContact N-O 3.19Å; N630-K638 PolarHBondContact ND2-O 3.45Å; N630-V639 HydrophobicContact CB-CG1 4.39Å
631	E	97.6	Very high	97.4	Very high	71 Å²	71	37.8 Å²	37.8	33%	0.332	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-33.3	177.1	-168.5	-176.3	-141.4	0	0	112.3	K594 K596 N633	K594-E631 HydrophobicContact CB-CB 4.43Å; K594-E631 WeakPolarHBondContact CD-OE2 3.34Å; K594-E631 WeakPolarHBondContact CE-OE2 3.45Å; K594-E631 HydrophobicContact CG-CB 4.31Å; K594-E631 WeakPolarHBondContact CG-OE2 3.46Å; K594-E631 IonicContact NZ-OE1 2.88Å; K594-E631 IonicContact NZ-OE2 2.75Å; K594-E631 PolarHBondContact NZ-OE2 3.25Å; K594-E631 WeakPolarHBondContact O-CB 3.26Å; K594-E631 PolarHBondContact O-N 2.87Å; K596-E631 HydrophobicContact CB-CB 4.14Å; K596-E631 HydrophobicContact CB-CG 4.43Å; E631-N633 VanDerWaalsContact C-N 3.32Å; E631-N633 PolarHBondContact O-N 3.46Å
632	E	97.5	Very high	97.3	Very high	72 Å²	72	40.9 Å²	40.9	34%	0.336	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-32.1	-172.7	-165.5	179.8	-174.2	0	0	113.3	N630 R642 W647 P727	N630-E632 VanDerWaalsContact C-N 3.28Å; N630-E632 PolarHBondContact O-N 2.92Å; N630-E632 PolarHBondContact OD1-N 3.04Å; N630-E632 VanDerWaalsContact OD1-N 3.15Å; E632-R642 IonicContact OE1-CZ 3.03Å; E632-R642 IonicContact OE1-NH1 2.73Å; E632-R642 PolarHBondContact OE1-NH1 2.72Å; E632-R642 IonicContact OE1-NH2 3.7Å; E632-R642 PolarHBondContact OE1-NH2 2.82Å; E632-R642 IonicContact OE2-CZ 2.57Å; E632-R642 IonicContact OE2-NH1 3.45Å; E632-R642 IonicContact OE2-NH2 2.68Å; E632-R642 PolarHBondContact OE2-NH2 2.56Å; E632-W647 HydrophobicContact CB-CH2 4.28Å; E632-W647 HydrophobicContact CG-CH2 3.82Å; E632-P727 HydrophobicContact CB-CB 4.21Å; E632-P727 HydrophobicContact CB-CG 3.93Å; E632-P727 HydrophobicContact CG-CB 4.11Å; E632-P727 HydrophobicContact CG-CG 4.03Å
633	N	97.4	Very high	97.2	Very high	45 Å²	45	40.9 Å²	40.9	24%	0.241	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.4	-7.7	-177.9	62.3	11.2	0	0	0	114.1	N630 E631 E635 K638 W647	N630-N633 WeakPolarHBondContact CB-OD1 3.24Å; N630-N633 PolarHBondContact ND2-OD1 2.81Å; E631-N633 VanDerWaalsContact C-N 3.32Å; E631-N633 PolarHBondContact O-N 3.46Å; N633-E635 PolarHBondContact O-N 3.16Å; N633-E635 PolarHBondContact OD1-N 2.89Å; N633-K638 PolarHBondContact ND2-O 3.22Å; N633-W647 HydrophobicContact CB-CH2 4.11Å; N633-W647 HydrophobicContact CB-CZ3 4.16Å; N633-W647 WeakPolarHBondContact ND2-CZ3 3.35Å
634	G	96.9	Very high	97.1	Very high	45 Å²	45	45.2 Å²	45.2	46%	0.464	23%	0.229	S	C	.	.	S	Bend	trans	71.9	10.7	-176.5	0	0	0	0	0	114.7	N630	N630-G634 WeakPolarHBondContact O-CA 3.43Å; N630-G634 PolarHBondContact O-N 2.96Å
635	E	96.4	Very high	97	Very high	85 Å²	85	47 Å²	47	40%	0.397	25%	0.248	S	C	.	.			trans	-101.8	153.1	-176.2	-63.1	-178.5	-109.4	0	0	111.9	N630 N633 K638	N630-E635 PolarHBondContact N-O 3.19Å; N633-E635 PolarHBondContact O-N 3.16Å; N633-E635 PolarHBondContact OD1-N 2.89Å; E635-K638 HydrophobicContact CB-CB 4.22Å; E635-K638 HydrophobicContact CB-CD 4.38Å; E635-K638 VanDerWaalsContact CD-CD 3.47Å; E635-K638 WeakPolarHBondContact OE1-CD 3.49Å; E635-K638 IonicContact OE1-NZ 2.86Å; E635-K638 PolarHBondContact OE1-NZ 3.48Å; E635-K638 WeakPolarHBondContact OE2-CD 3.29Å; E635-K638 IonicContact OE2-NZ 3.65Å; E635-K638 PolarHBondContact OE2-NZ 3.37Å
636	M	94.9	Very high	96.9	Very high	101 Å²	101	51.5 Å²	51.5	50%	0.498	27%	0.272	S	S	.	.	B	Isolated β-bridge	trans	-81.9	147.3	167.8	-70.6	-174.8	-71	0	0	110.8	A628 I629 K638	A628-M636 WeakPolarHBondContact O-CA 3.28Å; I629-M636 HydrophobicContact CD1-CG 3.31Å; I629-M636 HydrophobicContact CD1-SD 4.2Å; I629-M636 HydrophobicContact CG1-CG 4.43Å; M636-K638 PolarHBondContact O-N 3.36Å; M636-K638 VanDerWaalsContact O-N 3.16Å
637	N	96.8	Very high	97	Very high	45 Å²	45	54.5 Å²	54.5	24%	0.241	28%	0.281	C	S	.	.	S	Bend	trans	51.2	35.5	173.5	-161.3	24	0	0	0	115.5	I626 T649 V650	I626-N637 HydrophobicContact CB-CB 4.08Å; I626-N637 HydrophobicContact CG2-CB 4.48Å; I626-N637 WeakPolarHBondContact O-CB 3.22Å; N637-T649 WeakPolarHBondContact O-CA 3.37Å; N637-T649 WeakPolarHBondContact OD1-CB 3.25Å; N637-V650 PolarHBondContact OD1-N 3.32Å
638	K	98.2	Very high	97.2	Very high	73 Å²	73	55.6 Å²	55.6	32%	0.317	28%	0.282	S	S	.	.			trans	-144.8	109.8	-178.8	-165.6	-176.4	-175.8	-173.7	0	111	N630 N633 E635 M636 W647 E648	N630-K638 PolarHBondContact ND2-O 3.45Å; N633-K638 PolarHBondContact ND2-O 3.22Å; E635-K638 HydrophobicContact CB-CB 4.22Å; E635-K638 HydrophobicContact CB-CD 4.38Å; E635-K638 VanDerWaalsContact CD-CD 3.47Å; E635-K638 WeakPolarHBondContact OE1-CD 3.49Å; E635-K638 IonicContact OE1-NZ 2.86Å; E635-K638 PolarHBondContact OE1-NZ 3.48Å; E635-K638 WeakPolarHBondContact OE2-CD 3.29Å; E635-K638 IonicContact OE2-NZ 3.65Å; E635-K638 PolarHBondContact OE2-NZ 3.37Å; M636-K638 PolarHBondContact O-N 3.36Å; M636-K638 VanDerWaalsContact O-N 3.16Å; K638-W647 HydrophobicContact CG-CB 4.25Å; K638-W647 HydrophobicContact CG-CE3 4.24Å; K638-E648 WeakPolarHBondContact CA-O 3.44Å
639	V	98.4	Very high	97.2	Very high	2 Å²	2	57.6 Å²	57.6	1%	0.012	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	152.7	-177.4	-68.6	0	0	0	0	110.2	M593 N630 W647 E648 V650 V653	M593-V639 HydrophobicContact CB-CG1 4.16Å; M593-V639 HydrophobicContact CE-CG1 3.68Å; M593-V639 HydrophobicContact CG-CG1 4.03Å; N630-V639 HydrophobicContact CB-CG1 4.39Å; V639-W647 VanDerWaalsContact C-CE3 3.44Å; V639-W647 WeakPolarHBondContact O-CA 3.46Å; V639-E648 PolarHBondContact N-O 2.83Å; V639-E648 PolarHBondContact O-N 3.08Å; V639-V650 HydrophobicContact CG1-CG2 3.85Å; V639-V650 HydrophobicContact CG2-CB 4.34Å; V639-V650 HydrophobicContact CG2-CG2 3.96Å; V639-V653 HydrophobicContact CG2-CB 3.97Å; V639-V653 HydrophobicContact CG2-CG1 4.34Å; V639-V653 HydrophobicContact CG2-CG2 3.79Å
640	K	98.4	Very high	97.3	Very high	72 Å²	72	54.8 Å²	54.8	31%	0.313	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	120.8	178.4	-174	158.3	173	-173.9	0	110	R642 G645 D646 W647 Y657	K640-R642 PolarHBondContact O-N 3.19Å; K640-R642 VanDerWaalsContact O-N 3.15Å; K640-G645 VanDerWaalsContact CE-O 3.32Å; K640-G645 WeakPolarHBondContact CE-O 3.19Å; K640-D646 CarbonylContact C-O 3.5Å; K640-D646 WeakPolarHBondContact CA-O 3.43Å; K640-W647 HydrophobicContact CB-CD2 4.01Å; K640-W647 HydrophobicContact CB-CE3 3.93Å; K640-W647 HydrophobicContact CB-CH2 4.05Å; K640-W647 HydrophobicContact CB-CZ2 4.11Å; K640-W647 HydrophobicContact CB-CZ3 3.94Å; K640-W647 HydrophobicContact CD-CZ2 4.06Å; K640-Y657 PolarHBondContact O-OH 2.81Å
641	N	98.4	Very high	97.3	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.281	C	S	.	.			trans	-69.2	105	170.2	-174	-27.6	0	0	0	109	L643 K644 G645 D646 E648 V653 Y656 Y657	N641-L643 PolarHBondContact O-N 3.48Å; N641-L643 PolarHBondContact OD1-N 2.76Å; N641-L643 VanDerWaalsContact OD1-N 3.08Å; N641-K644 HydrophobicContact CB-CB 4.31Å; N641-K644 PolarHBondContact O-N 3.31Å; N641-K644 PolarHBondContact OD1-N 2.88Å; N641-G645 WeakPolarHBondContact O-CA 3.17Å; N641-G645 PolarHBondContact O-N 3.29Å; N641-D646 PolarHBondContact N-O 3.05Å; N641-E648 WeakPolarHBondContact CB-OE2 3.31Å; N641-E648 PolarHBondContact ND2-OE2 3.48Å; N641-V653 HydrophobicContact CB-CG1 4.32Å; N641-V653 HydrophobicContact CB-CG2 3.94Å; N641-Y656 WeakPolarHBondContact ND2-CD1 3.16Å; N641-Y657 WeakPolarHBondContact OD1-CE1 3.41Å
642	R	96.5	Very high	97.4	Very high	65 Å²	65	56.4 Å²	56.4	25%	0.245	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-17.8	-176.2	-61.7	-61.5	-178.6	-142.7	-21.6	113.8	L590 E632 K640 Y657 P727	L590-R642 HydrophobicContact CD2-CB 4.09Å; E632-R642 IonicContact OE1-CZ 3.03Å; E632-R642 IonicContact OE1-NH1 2.73Å; E632-R642 PolarHBondContact OE1-NH1 2.72Å; E632-R642 IonicContact OE1-NH2 3.7Å; E632-R642 PolarHBondContact OE1-NH2 2.82Å; E632-R642 IonicContact OE2-CZ 2.57Å; E632-R642 IonicContact OE2-NH1 3.45Å; E632-R642 IonicContact OE2-NH2 2.68Å; E632-R642 PolarHBondContact OE2-NH2 2.56Å; K640-R642 PolarHBondContact O-N 3.19Å; K640-R642 VanDerWaalsContact O-N 3.15Å; R642-Y657 PolarHBondContact N-OH 3.17Å; R642-P727 PolarHBondContact NE-O 3.09Å; R642-P727 VanDerWaalsContact NE-O 3.1Å; R642-P727 VanDerWaalsContact NH2-C 3.28Å; R642-P727 VanDerWaalsContact NH2-CB 3.25Å; R642-P727 PolarHBondContact NH2-O 3.32Å
643	L	96.7	Very high	97.5	Very high	64 Å²	64	53 Å²	53	34%	0.335	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-24.4	179.9	-59.7	-177.2	0	0	0	112.9	L590 N641 Y656 Y657 H660 R662	L590-L643 HydrophobicContact CD1-CD1 4.33Å; L590-L643 HydrophobicContact CD1-CD2 4.23Å; L590-L643 HydrophobicContact CD1-CG 4.15Å; N641-L643 PolarHBondContact O-N 3.48Å; N641-L643 PolarHBondContact OD1-N 2.76Å; N641-L643 VanDerWaalsContact OD1-N 3.08Å; L643-Y656 HydrophobicContact CB-CD1 4.27Å; L643-Y656 HydrophobicContact CB-CE1 3.69Å; L643-Y656 HydrophobicContact CD1-CD1 4.15Å; L643-Y656 HydrophobicContact CD1-CE1 3.97Å; L643-Y656 HydrophobicContact CG-CE1 4.45Å; L643-Y657 HydrophobicContact CB-CE1 4.49Å; L643-Y657 HydrophobicContact CD1-CD1 3.75Å; L643-Y657 HydrophobicContact CD1-CE1 4.12Å; L643-Y657 HydrophobicContact CG-CD1 4.07Å; L643-Y657 HydrophobicContact CG-CE1 3.9Å; L643-H660 HydrophobicContact CD1-CB 4.06Å; L643-R662 HydrophobicContact CD1-CG 3.96Å
644	K	95.5	Very high	97.5	Very high	91 Å²	91	50.9 Å²	50.9	40%	0.396	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.9	-33	176.9	-65.4	-172	-162.3	159.2	0	114.1	N641 E648 Y656	N641-K644 HydrophobicContact CB-CB 4.31Å; N641-K644 PolarHBondContact O-N 3.31Å; N641-K644 PolarHBondContact OD1-N 2.88Å; K644-E648 IonicContact NZ-OE1 3.64Å; K644-E648 PolarHBondContact NZ-OE1 2.94Å; K644-E648 IonicContact NZ-OE2 2.77Å; K644-E648 PolarHBondContact NZ-OE2 2.89Å; K644-Y656 HydrophobicContact CD-CE2 4.14Å; K644-Y656 HydrophobicContact CG-CE1 3.88Å; K644-Y656 HydrophobicContact CG-CE2 4.25Å
645	G	95.6	Very high	97.6	Very high	38 Å²	38	52.1 Å²	52.1	39%	0.392	25%	0.251	S	S	.	.			trans	97.7	-12.9	-173.5	0	0	0	0	0	115.1	K640 N641	K640-G645 VanDerWaalsContact CE-O 3.32Å; K640-G645 WeakPolarHBondContact CE-O 3.19Å; N641-G645 WeakPolarHBondContact O-CA 3.17Å; N641-G645 PolarHBondContact O-N 3.29Å
646	D	97.2	Very high	97.7	Very high	95 Å²	95	51 Å²	51	51%	0.508	24%	0.243	S	C	.	.			trans	-81.3	158.1	-175.9	-61.6	-41.3	0	0	0	113.7	K640 N641 E648	K640-D646 CarbonylContact C-O 3.5Å; K640-D646 WeakPolarHBondContact CA-O 3.43Å; N641-D646 PolarHBondContact N-O 3.05Å; D646-E648 HydrophobicContact CB-CG 4.29Å
647	W	98.2	Very high	97.9	Very high	106 Å²	106	46.2 Å²	46.2	40%	0.402	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	118.2	168.6	-67.1	90.5	0	0	0	109.6	E632 N633 K638 V639 K640	E632-W647 HydrophobicContact CB-CH2 4.28Å; E632-W647 HydrophobicContact CG-CH2 3.82Å; N633-W647 HydrophobicContact CB-CH2 4.11Å; N633-W647 HydrophobicContact CB-CZ3 4.16Å; N633-W647 WeakPolarHBondContact ND2-CZ3 3.35Å; K638-W647 HydrophobicContact CG-CB 4.25Å; K638-W647 HydrophobicContact CG-CE3 4.24Å; V639-W647 VanDerWaalsContact C-CE3 3.44Å; V639-W647 WeakPolarHBondContact O-CA 3.46Å; K640-W647 HydrophobicContact CB-CD2 4.01Å; K640-W647 HydrophobicContact CB-CE3 3.93Å; K640-W647 HydrophobicContact CB-CH2 4.05Å; K640-W647 HydrophobicContact CB-CZ2 4.11Å; K640-W647 HydrophobicContact CB-CZ3 3.94Å; K640-W647 HydrophobicContact CD-CZ2 4.06Å
648	E	98.2	Very high	97.9	Very high	38 Å²	38	48.3 Å²	48.3	18%	0.178	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	175.5	-174.7	-66.9	175.4	72.1	0	0	109.6	K638 V639 N641 K644 D646 E652 V653	K638-E648 WeakPolarHBondContact CA-O 3.44Å; V639-E648 PolarHBondContact N-O 2.83Å; V639-E648 PolarHBondContact O-N 3.08Å; N641-E648 WeakPolarHBondContact CB-OE2 3.31Å; N641-E648 PolarHBondContact ND2-OE2 3.48Å; K644-E648 IonicContact NZ-OE1 3.64Å; K644-E648 PolarHBondContact NZ-OE1 2.94Å; K644-E648 IonicContact NZ-OE2 2.77Å; K644-E648 PolarHBondContact NZ-OE2 2.89Å; D646-E648 HydrophobicContact CB-CG 4.29Å; E648-E652 HydrophobicContact CB-CB 4.48Å; E648-V653 HydrophobicContact CB-CG2 3.64Å
649	T	98.4	Very high	97.9	Very high	42 Å²	42	48.9 Å²	48.9	26%	0.258	25%	0.245	S	C	.	.			trans	-71.7	155.3	174.6	68.6	0	0	0	0	111.5	N637 E652 V653	N637-T649 WeakPolarHBondContact O-CA 3.37Å; N637-T649 WeakPolarHBondContact OD1-CB 3.25Å; T649-E652 WeakPolarHBondContact CB-OE2 3.24Å; T649-E652 WeakPolarHBondContact CG2-OE2 3.4Å; T649-E652 PolarHBondContact N-OE2 3.31Å; T649-E652 VanDerWaalsContact N-OE2 3.12Å; T649-E652 PolarHBondContact O-N 2.87Å; T649-E652 WeakPolarHBondContact OG1-CB 3.25Å; T649-E652 WeakPolarHBondContact OG1-CG 3.37Å; T649-E652 PolarHBondContact OG1-OE2 2.86Å; T649-V653 WeakPolarHBondContact O-CG2 3.4Å; T649-V653 PolarHBondContact O-N 2.83Å
650	V	98.6	Very high	97.9	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-61	-44.7	-175.8	-173.3	0	0	0	0	112.6	L592 M593 M624 F625 N637 V639 E652 V653 A654	L592-V650 HydrophobicContact CD1-CG1 4.18Å; L592-V650 HydrophobicContact CD2-CG1 3.84Å; L592-V650 HydrophobicContact CG-CG1 4.03Å; M593-V650 HydrophobicContact CE-CG2 3.48Å; M593-V650 VanDerWaalsContact CE-CG2 3.48Å; M624-V650 HydrophobicContact CE-CG1 4.28Å; F625-V650 HydrophobicContact CB-CB 4.18Å; F625-V650 HydrophobicContact CB-CG1 3.73Å; F625-V650 HydrophobicContact CB-CG2 4.36Å; F625-V650 HydrophobicContact CD2-CG1 4.17Å; F625-V650 HydrophobicContact CG-CG1 4.41Å; N637-V650 PolarHBondContact OD1-N 3.32Å; V639-V650 HydrophobicContact CG1-CG2 3.85Å; V639-V650 HydrophobicContact CG2-CB 4.34Å; V639-V650 HydrophobicContact CG2-CG2 3.96Å; V650-E652 PolarHBondContact O-N 3.47Å; V650-V653 PolarHBondContact O-N 2.83Å; V650-A654 WeakPolarHBondContact O-CB 3.09Å; V650-A654 PolarHBondContact O-N 3.21Å
651	P	98.6	Very high	97.8	Very high	6 Å²	6	53.5 Å²	53.5	4%	0.039	29%	0.286	C	S	.	.	H	α-helix	trans	-63.1	-38.1	176.6	-22.6	34.4	0	0	0	113.4	N622 M624 I626 A654 R655	N622-P651 WeakPolarHBondContact O-CG 3.48Å; M624-P651 WeakPolarHBondContact O-CG 3.25Å; I626-P651 HydrophobicContact CG2-CG 4.02Å; P651-A654 PolarHBondContact O-N 3.46Å; P651-R655 WeakPolarHBondContact O-CB 3.25Å; P651-R655 VanDerWaalsContact O-CG 3.3Å; P651-R655 WeakPolarHBondContact O-CG 3.12Å; P651-R655 PolarHBondContact O-N 3.45Å
652	E	98.5	Very high	97.8	Very high	100 Å²	100	57.3 Å²	57.3	47%	0.467	30%	0.301	S	S	.	.	H	α-helix	trans	-63.4	-46.9	177.9	-74.1	167.5	153.7	0	0	111.3	E648 T649 V650 R655 Y656	E648-E652 HydrophobicContact CB-CB 4.48Å; T649-E652 WeakPolarHBondContact CB-OE2 3.24Å; T649-E652 WeakPolarHBondContact CG2-OE2 3.4Å; T649-E652 PolarHBondContact N-OE2 3.31Å; T649-E652 VanDerWaalsContact N-OE2 3.12Å; T649-E652 PolarHBondContact O-N 2.87Å; T649-E652 WeakPolarHBondContact OG1-CB 3.25Å; T649-E652 WeakPolarHBondContact OG1-CG 3.37Å; T649-E652 PolarHBondContact OG1-OE2 2.86Å; V650-E652 PolarHBondContact O-N 3.47Å; E652-R655 PolarHBondContact O-N 3.32Å; E652-Y656 WeakPolarHBondContact O-CB 3.43Å; E652-Y656 PolarHBondContact O-N 2.84Å
653	V	98.7	Very high	97.9	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-63.5	-44.2	177.2	176.9	0	0	0	0	111.3	L592 V639 N641 E648 T649 V650 R655 Y656 Y657	L592-V653 HydrophobicContact CD1-CB 4.21Å; L592-V653 HydrophobicContact CD1-CG1 3.85Å; V639-V653 HydrophobicContact CG2-CB 3.97Å; V639-V653 HydrophobicContact CG2-CG1 4.34Å; V639-V653 HydrophobicContact CG2-CG2 3.79Å; N641-V653 HydrophobicContact CB-CG1 4.32Å; N641-V653 HydrophobicContact CB-CG2 3.94Å; E648-V653 HydrophobicContact CB-CG2 3.64Å; T649-V653 WeakPolarHBondContact O-CG2 3.4Å; T649-V653 PolarHBondContact O-N 2.83Å; V650-V653 PolarHBondContact O-N 2.83Å; V653-R655 PolarHBondContact O-N 3.16Å; V653-Y656 WeakPolarHBondContact O-CB 3.39Å; V653-Y656 PolarHBondContact O-N 2.59Å; V653-Y656 VanDerWaalsContact O-N 3.16Å; V653-Y657 HydrophobicContact CG1-CD1 4.29Å; V653-Y657 HydrophobicContact CG1-CD2 4.09Å; V653-Y657 HydrophobicContact CG1-CE1 3.76Å; V653-Y657 HydrophobicContact CG1-CE2 3.54Å; V653-Y657 HydrophobicContact CG1-CG 4.44Å; V653-Y657 PolarHBondContact O-N 3.24Å
654	A	98.8	Very high	98	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-63.8	-41.8	178.8	0	0	0	0	0	112.3	L592 M624 V650 P651 Y656 Y657 K658 W664 L688	L592-A654 HydrophobicContact CD1-CB 4.13Å; L592-A654 HydrophobicContact CD2-CB 4.03Å; M624-A654 HydrophobicContact CE-CB 3.36Å; V650-A654 WeakPolarHBondContact O-CB 3.09Å; V650-A654 PolarHBondContact O-N 3.21Å; P651-A654 PolarHBondContact O-N 3.46Å; A654-Y656 VanDerWaalsContact C-N 3.33Å; A654-Y656 PolarHBondContact O-N 3.1Å; A654-Y657 PolarHBondContact O-N 3.06Å; A654-K658 WeakPolarHBondContact O-CB 3.28Å; A654-K658 PolarHBondContact O-N 3.26Å; A654-W664 HydrophobicContact CB-CZ2 4.37Å; A654-L688 HydrophobicContact CB-CB 3.99Å; A654-L688 HydrophobicContact CB-CD1 4.15Å
655	R	98.6	Very high	98.2	Very high	71 Å²	71	47.5 Å²	47.5	27%	0.268	26%	0.261	S	S	.	.	H	α-helix	trans	-61.1	-41.8	171.8	-75.9	-179.7	-174.9	-73.8	-1.7	111.6	D618 N622 P651 E652 V653 K658 A659 L688	D618-R655 PolarHBondContact O-NH2 3.31Å; D618-R655 IonicContact OD1-CZ 3.2Å; D618-R655 IonicContact OD1-NH1 2.68Å; D618-R655 PolarHBondContact OD1-NH1 2.94Å; D618-R655 IonicContact OD1-NH2 3.75Å; D618-R655 PolarHBondContact OD1-NH2 2.69Å; N622-R655 PolarHBondContact OD1-NE 3.01Å; N622-R655 VanDerWaalsContact OD1-NE 3.08Å; N622-R655 PolarHBondContact OD1-NH2 2.75Å; P651-R655 WeakPolarHBondContact O-CB 3.25Å; P651-R655 VanDerWaalsContact O-CG 3.3Å; P651-R655 WeakPolarHBondContact O-CG 3.12Å; P651-R655 PolarHBondContact O-N 3.45Å; E652-R655 PolarHBondContact O-N 3.32Å; V653-R655 PolarHBondContact O-N 3.16Å; R655-K658 PolarHBondContact O-N 3.12Å; R655-A659 WeakPolarHBondContact O-CB 3.41Å; R655-A659 PolarHBondContact O-N 3.48Å; R655-L688 HydrophobicContact CG-CD2 3.56Å
656	Y	98.7	Very high	98.3	Very high	62 Å²	62	45.7 Å²	45.7	24%	0.243	24%	0.242	C	C	.	.	H	α-helix	trans	-61.7	-46.7	177.6	-169.8	-94.3	0	0	0	111.4	N641 L643 K644 E652 V653 A654 A659 H660	N641-Y656 WeakPolarHBondContact ND2-CD1 3.16Å; L643-Y656 HydrophobicContact CB-CD1 4.27Å; L643-Y656 HydrophobicContact CB-CE1 3.69Å; L643-Y656 HydrophobicContact CD1-CD1 4.15Å; L643-Y656 HydrophobicContact CD1-CE1 3.97Å; L643-Y656 HydrophobicContact CG-CE1 4.45Å; K644-Y656 HydrophobicContact CD-CE2 4.14Å; K644-Y656 HydrophobicContact CG-CE1 3.88Å; K644-Y656 HydrophobicContact CG-CE2 4.25Å; E652-Y656 WeakPolarHBondContact O-CB 3.43Å; E652-Y656 PolarHBondContact O-N 2.84Å; V653-Y656 WeakPolarHBondContact O-CB 3.39Å; V653-Y656 PolarHBondContact O-N 2.59Å; V653-Y656 VanDerWaalsContact O-N 3.16Å; A654-Y656 VanDerWaalsContact C-N 3.33Å; A654-Y656 PolarHBondContact O-N 3.1Å; Y656-A659 PolarHBondContact O-N 3.35Å; Y656-H660 AromaticContact CD1-ND1 3.77Å; Y656-H660 AromaticContact CD2-CE1 3.73Å; Y656-H660 AromaticContact CE1-CE1 3.53Å; Y656-H660 AromaticContact CE1-ND1 3.58Å; Y656-H660 AromaticContact CE2-CE1 3.19Å; Y656-H660 WeakPolarHBondContact CE2-CE1 3.36Å; Y656-H660 AromaticContact CE2-ND1 3.86Å; Y656-H660 AromaticContact CE2-NE2 3.98Å; Y656-H660 AromaticContact CG-ND1 3.99Å; Y656-H660 AromaticContact CZ-CE1 3.1Å; Y656-H660 AromaticContact CZ-ND1 3.66Å; Y656-H660 AromaticContact CZ-NE2 3.55Å; Y656-H660 PolarHBondContact O-N 2.85Å; Y656-H660 VanDerWaalsContact O-N 3.16Å; Y656-H660 PolarHBondContact O-ND1 3.13Å; Y656-H660 PolarHBondContact OH-CE1 3.48Å; Y656-H660 PolarHBondContact OH-NE2 2.97Å
657	Y	98.7	Very high	98.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-60.2	-47	175.9	-67.1	-11.6	0	0	0	111.9	L590 L592 K640 N641 R642 L643 V653 A654 A659 H660 G661 R662 W664	L590-Y657 HydrophobicContact CB-CD2 4.25Å; L590-Y657 HydrophobicContact CB-CE2 3.93Å; L590-Y657 HydrophobicContact CD1-CD1 3.63Å; L590-Y657 HydrophobicContact CD1-CD2 3.82Å; L590-Y657 HydrophobicContact CD1-CE1 3.6Å; L590-Y657 HydrophobicContact CD1-CE2 3.78Å; L590-Y657 HydrophobicContact CD1-CG 3.75Å; L590-Y657 HydrophobicContact CG-CE2 4.48Å; L592-Y657 HydrophobicContact CD1-CD2 4.35Å; L592-Y657 HydrophobicContact CD1-CE2 4.13Å; K640-Y657 PolarHBondContact O-OH 2.81Å; N641-Y657 WeakPolarHBondContact OD1-CE1 3.41Å; R642-Y657 PolarHBondContact N-OH 3.17Å; L643-Y657 HydrophobicContact CB-CE1 4.49Å; L643-Y657 HydrophobicContact CD1-CD1 3.75Å; L643-Y657 HydrophobicContact CD1-CE1 4.12Å; L643-Y657 HydrophobicContact CG-CD1 4.07Å; L643-Y657 HydrophobicContact CG-CE1 3.9Å; V653-Y657 HydrophobicContact CG1-CD1 4.29Å; V653-Y657 HydrophobicContact CG1-CD2 4.09Å; V653-Y657 HydrophobicContact CG1-CE1 3.76Å; V653-Y657 HydrophobicContact CG1-CE2 3.54Å; V653-Y657 HydrophobicContact CG1-CG 4.44Å; V653-Y657 PolarHBondContact O-N 3.24Å; A654-Y657 PolarHBondContact O-N 3.06Å; Y657-A659 PolarHBondContact O-N 2.92Å; Y657-H660 CarbonylContact O-C 3.49Å; Y657-H660 PolarHBondContact O-N 3.23Å; Y657-H660 VanDerWaalsContact O-N 3.1Å; Y657-G661 PolarHBondContact O-N 3.37Å; Y657-R662 CarbonylContact C-O 3.45Å; Y657-R662 PolarHBondContact O-N 3.26Å; Y657-W664 HydrophobicContact CD2-CB 4.19Å; Y657-W664 HydrophobicContact CD2-CG 4.34Å
658	K	98	Very high	98.4	Very high	90 Å²	90	36.1 Å²	36.1	39%	0.391	20%	0.199	S	C	.	.	H	α-helix	trans	-56.6	-46.8	175.3	-179.5	-178.2	177.5	-178.2	0	112.1	A654 R655 H660 G661 Y687	A654-K658 WeakPolarHBondContact O-CB 3.28Å; A654-K658 PolarHBondContact O-N 3.26Å; R655-K658 PolarHBondContact O-N 3.12Å; K658-H660 PolarHBondContact O-N 3.19Å; K658-G661 PolarHBondContact O-N 2.84Å; K658-Y687 VanDerWaalsContact CD-O 3.3Å; K658-Y687 WeakPolarHBondContact CD-O 3.19Å; K658-Y687 VanDerWaalsContact CE-O 3.27Å; K658-Y687 WeakPolarHBondContact CE-O 3.46Å; K658-Y687 PolarHBondContact NZ-O 2.48Å
659	A	98.1	Very high	98.4	Very high	84 Å²	84	36.4 Å²	36.4	69%	0.694	20%	0.2	S	C	*	.	H	α-helix	trans	-63.4	-24.4	179.7	0	0	0	0	0	113.2	R655 Y656 Y657	R655-A659 WeakPolarHBondContact O-CB 3.41Å; R655-A659 PolarHBondContact O-N 3.48Å; Y656-A659 PolarHBondContact O-N 3.35Å; Y657-A659 PolarHBondContact O-N 2.92Å
660	H	98	Very high	98.2	Very high	101 Å²	101	37.5 Å²	37.5	47%	0.468	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	12.7	176.4	-68.2	75.7	0	0	0	113.1	L643 Y656 Y657 K658 R662	L643-H660 HydrophobicContact CD1-CB 4.06Å; Y656-H660 AromaticContact CD1-ND1 3.77Å; Y656-H660 AromaticContact CD2-CE1 3.73Å; Y656-H660 AromaticContact CE1-CE1 3.53Å; Y656-H660 AromaticContact CE1-ND1 3.58Å; Y656-H660 AromaticContact CE2-CE1 3.19Å; Y656-H660 WeakPolarHBondContact CE2-CE1 3.36Å; Y656-H660 AromaticContact CE2-ND1 3.86Å; Y656-H660 AromaticContact CE2-NE2 3.98Å; Y656-H660 AromaticContact CG-ND1 3.99Å; Y656-H660 AromaticContact CZ-CE1 3.1Å; Y656-H660 AromaticContact CZ-ND1 3.66Å; Y656-H660 AromaticContact CZ-NE2 3.55Å; Y656-H660 PolarHBondContact O-N 2.85Å; Y656-H660 VanDerWaalsContact O-N 3.16Å; Y656-H660 PolarHBondContact O-ND1 3.13Å; Y656-H660 PolarHBondContact OH-CE1 3.48Å; Y656-H660 PolarHBondContact OH-NE2 2.97Å; Y657-H660 CarbonylContact O-C 3.49Å; Y657-H660 PolarHBondContact O-N 3.23Å; Y657-H660 VanDerWaalsContact O-N 3.1Å; K658-H660 PolarHBondContact O-N 3.19Å; H660-R662 HydrophobicContact CB-CG 4.38Å; H660-R662 PolarHBondContact O-N 3.46Å
661	G	96.8	Very high	98.1	Very high	71 Å²	71	37.8 Å²	37.8	73%	0.732	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.2	20.6	179.7	0	0	0	0	0	114	Y657 K658	Y657-G661 PolarHBondContact O-N 3.37Å; K658-G661 PolarHBondContact O-N 2.84Å
662	R	97.9	Very high	98.1	Very high	79 Å²	79	37.6 Å²	37.6	30%	0.298	20%	0.204	S	C	.	.			trans	-97.8	115.7	179.5	-61.5	-58.9	-64.1	-93.2	1.4	110.3	D588 L590 L643 Y657 H660	D588-R662 PolarHBondContact O-NH2 2.8Å; L590-R662 HydrophobicContact CD1-CB 3.83Å; L590-R662 HydrophobicContact CD1-CG 4.28Å; L643-R662 HydrophobicContact CD1-CG 3.96Å; Y657-R662 CarbonylContact C-O 3.45Å; Y657-R662 PolarHBondContact O-N 3.26Å; H660-R662 HydrophobicContact CB-CG 4.38Å; H660-R662 PolarHBondContact O-N 3.46Å
663	G	98.1	Very high	98	Very high	13 Å²	13	33 Å²	33	13%	0.134	18%	0.184	C	C	.	.			trans	-72.7	154.8	168.2	0	0	0	0	0	111.5	L590	L590-G663 PolarHBondContact N-O 3.37Å; L590-G663 VanDerWaalsContact N-O 3.08Å
664	W	98.8	Very high	97.8	Very high	1 Å²	1	33.6 Å²	33.6	0%	0.004	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	162.8	-180	56.1	-100.2	0	0	0	112.9	L590 L592 M624 F625 A654 Y657 V666 P685 L688 G690 K691	L590-W664 HydrophobicContact CB-CB 4.32Å; L590-W664 CarbonylContact O-C 3.58Å; L590-W664 WeakPolarHBondContact O-CA 3.29Å; L590-W664 VanDerWaalsContact O-CB 3.22Å; L590-W664 WeakPolarHBondContact O-CB 3.15Å; L592-W664 HydrophobicContact CB-CB 4.14Å; L592-W664 HydrophobicContact CB-CD2 3.87Å; L592-W664 HydrophobicContact CB-CE3 3.74Å; L592-W664 HydrophobicContact CB-CG 4.07Å; L592-W664 HydrophobicContact CB-CZ3 4.45Å; L592-W664 HydrophobicContact CD2-CD2 3.79Å; L592-W664 HydrophobicContact CD2-CE3 3.75Å; L592-W664 HydrophobicContact CD2-CH2 3.77Å; L592-W664 HydrophobicContact CD2-CZ2 3.82Å; L592-W664 HydrophobicContact CD2-CZ3 3.77Å; L592-W664 HydrophobicContact CG-CD2 4.4Å; L592-W664 HydrophobicContact CG-CE3 4.4Å; M624-W664 HydrophobicContact CE-CH2 4.15Å; M624-W664 HydrophobicContact CE-CZ2 3.89Å; M624-W664 HydrophobicContact SD-CH2 3.97Å; M624-W664 HydrophobicContact SD-CZ2 3.98Å; F625-W664 HydrophobicContact CE2-CH2 4.23Å; F625-W664 HydrophobicContact CE2-CZ3 4.46Å; A654-W664 HydrophobicContact CB-CZ2 4.37Å; Y657-W664 HydrophobicContact CD2-CB 4.19Å; Y657-W664 HydrophobicContact CD2-CG 4.34Å; W664-V666 HydrophobicContact CE3-CG2 4.02Å; W664-V666 HydrophobicContact CZ3-CG2 3.63Å; W664-P685 HydrophobicContact CH2-CB 3.71Å; W664-P685 HydrophobicContact CH2-CG 4.48Å; W664-P685 HydrophobicContact CZ2-CB 4.46Å; W664-P685 WeakPolarHBondContact CZ2-O 3.01Å; W664-L688 HydrophobicContact CZ2-CB 4.38Å; W664-L688 PolarHBondContact NE1-O 2.96Å; W664-G690 VanDerWaalsContact CZ2-CA 3.41Å; W664-K691 PolarHBondContact O-N 2.92Å
665	V	98.9	Very high	97.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	159.4	172.7	-56.5	0	0	0	0	111.3	L589 L590 V591 L592 F667 A692 I694 V731	L589-V665 HydrophobicContact CB-CG1 4.17Å; L589-V665 HydrophobicContact CD1-CG1 3.48Å; L589-V665 VanDerWaalsContact CD1-CG1 3.48Å; L589-V665 HydrophobicContact CG-CG1 4.49Å; L590-V665 PolarHBondContact O-N 3.33Å; V591-V665 HydrophobicContact CG2-CG2 4.38Å; L592-V665 PolarHBondContact N-O 3.18Å; V665-F667 HydrophobicContact CG2-CD2 4.28Å; V665-F667 HydrophobicContact CG2-CE2 3.68Å; V665-F667 HydrophobicContact CG2-CZ 4.22Å; V665-A692 VanDerWaalsContact CA-O 3.29Å; V665-A692 WeakPolarHBondContact CA-O 3.17Å; V665-A692 HydrophobicContact CG1-CB 3.86Å; V665-I694 HydrophobicContact CB-CD1 4.47Å; V665-V731 HydrophobicContact CG2-CB 4.08Å; V665-V731 HydrophobicContact CG2-CG1 4.27Å; V665-V731 HydrophobicContact CG2-CG2 3.83Å
666	V	98.8	Very high	97.1	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	138.4	169.8	163.6	0	0	0	0	109	L592 M593 I595 F625 W664 A692 I694	L592-V666 HydrophobicContact CB-CG2 4.15Å; L592-V666 HydrophobicContact CD2-CG2 4.29Å; M593-V666 WeakPolarHBondContact O-CA 3.18Å; I595-V666 HydrophobicContact CD1-CG1 3.42Å; I595-V666 VanDerWaalsContact CD1-CG1 3.42Å; I595-V666 HydrophobicContact CG1-CG1 4.07Å; F625-V666 HydrophobicContact CE2-CG2 3.93Å; F625-V666 HydrophobicContact CZ-CG1 4.32Å; F625-V666 HydrophobicContact CZ-CG2 4.07Å; W664-V666 HydrophobicContact CE3-CG2 4.02Å; W664-V666 HydrophobicContact CZ3-CG2 3.63Å; V666-A692 PolarHBondContact N-O 3.27Å; V666-I694 PolarHBondContact O-N 3.19Å
667	F	98.8	Very high	96.9	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	138.4	170.6	-68	-85.6	0	0	0	110.6	V591 M593 K594 I595 V665 I694 F716 Y722 V725 V731 L749	V591-F667 HydrophobicContact CG1-CD2 3.95Å; V591-F667 HydrophobicContact CG1-CE2 4.34Å; V591-F667 HydrophobicContact CG2-CD2 4.22Å; V591-F667 HydrophobicContact CG2-CE2 3.75Å; M593-F667 PolarHBondContact O-N 3.23Å; M593-F667 VanDerWaalsContact O-N 3.09Å; K594-F667 HydrophobicContact CB-CB 4.45Å; K594-F667 HydrophobicContact CG-CB 4.1Å; I595-F667 WeakPolarHBondContact CB-O 3.42Å; I595-F667 PolarHBondContact N-O 3.05Å; V665-F667 HydrophobicContact CG2-CD2 4.28Å; V665-F667 HydrophobicContact CG2-CE2 3.68Å; V665-F667 HydrophobicContact CG2-CZ 4.22Å; F667-I694 CarbonylContact C-O 3.45Å; F667-I694 WeakPolarHBondContact CA-O 3.28Å; F667-I694 HydrophobicContact CD1-CB 3.65Å; F667-I694 HydrophobicContact CD1-CD1 4.32Å; F667-I694 HydrophobicContact CD1-CG2 3.83Å; F667-I694 HydrophobicContact CE1-CB 3.7Å; F667-I694 HydrophobicContact CE1-CD1 3.57Å; F667-I694 HydrophobicContact CE1-CG1 4.23Å; F667-I694 HydrophobicContact CE1-CG2 3.71Å; F667-I694 HydrophobicContact CZ-CD1 3.76Å; F667-F716 HydrophobicContact CD1-CE1 4.29Å; F667-F716 HydrophobicContact CD1-CE2 4.39Å; F667-F716 AromaticContact CD1-CZ 3.57Å; F667-F716 HydrophobicContact CD1-CZ 3.57Å; F667-F716 HydrophobicContact CE1-CE1 4.25Å; F667-F716 AromaticContact CE1-CZ 3.99Å; F667-F716 HydrophobicContact CE1-CZ 3.99Å; F667-Y722 HydrophobicContact CB-CE2 4.34Å; F667-V725 HydrophobicContact CD1-CG1 4.2Å; F667-V725 HydrophobicContact CD1-CG2 3.89Å; F667-V725 HydrophobicContact CD2-CG1 3.51Å; F667-V725 HydrophobicContact CE1-CG1 4.16Å; F667-V725 HydrophobicContact CE1-CG2 3.65Å; F667-V725 HydrophobicContact CE2-CG1 3.47Å; F667-V725 VanDerWaalsContact CE2-CG1 3.47Å; F667-V725 HydrophobicContact CE2-CG2 4.44Å; F667-V725 HydrophobicContact CG-CG1 3.86Å; F667-V725 HydrophobicContact CG-CG2 4.35Å; F667-V725 HydrophobicContact CZ-CG1 3.8Å; F667-V725 HydrophobicContact CZ-CG2 3.95Å; F667-V731 HydrophobicContact CE2-CG2 3.89Å; F667-V731 HydrophobicContact CZ-CG1 4.43Å; F667-V731 HydrophobicContact CZ-CG2 3.94Å; F667-L749 HydrophobicContact CZ-CD2 4.06Å
668	G	98.3	Very high	96.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	168.3	179.5	0	0	0	0	0	113.3	I694 V695 K696	G668-I694 PolarHBondContact N-O 2.97Å; G668-V695 VanDerWaalsContact O-CA 3.22Å; G668-V695 WeakPolarHBondContact O-CA 3.13Å; G668-K696 PolarHBondContact O-N 3.22Å
669	E	97.2	Very high	96.6	Very high	44 Å²	44	25 Å²	25	21%	0.206	16%	0.16	C	C	.	.			trans	-89.7	-139.9	-179.3	-62.1	-157.1	-112.6	0	0	111.8	G597 K696 S697 Y722	G597-E669 WeakPolarHBondContact CA-OE1 3.06Å; G597-E669 PolarHBondContact N-OE1 3.33Å; E669-K696 HydrophobicContact CB-CD 4.28Å; E669-K696 PolarHBondContact O-N 3.34Å; E669-K696 VanDerWaalsContact O-N 3.14Å; E669-K696 IonicContact OE2-NZ 3.71Å; E669-K696 PolarHBondContact OE2-NZ 3.24Å; E669-S697 PolarHBondContact O-N 3.44Å; E669-Y722 HydrophobicContact CG-CE1 4.23Å; E669-Y722 HydrophobicContact CG-CE2 4.01Å
670	D	95.8	Very high	96.7	Very high	65 Å²	65	21 Å²	21	35%	0.348	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	146.1	-172.3	-67.1	-74.4	0	0	0	113.4	K265 Y672 K696 S697	K265-D670 PolarHBondContact NZ-O 3.44Å; D670-Y672 PolarHBondContact O-N 3.37Å; D670-K696 VanDerWaalsContact OD1-CB 3.24Å; D670-K696 WeakPolarHBondContact OD1-CB 3.42Å; D670-K696 VanDerWaalsContact OD2-CD 3.3Å; D670-K696 WeakPolarHBondContact OD2-CD 3.48Å; D670-S697 VanDerWaalsContact CA-OG 3.25Å; D670-S697 WeakPolarHBondContact CA-OG 3.4Å; D670-S697 WeakPolarHBondContact CB-OG 3.29Å; D670-S697 PolarHBondContact OD1-OG 2.95Å; D670-S697 VanDerWaalsContact OD1-OG 3.13Å
671	N	95.8	Very high	96.7	Very high	6 Å²	6	16.1 Å²	16.1	3%	0.032	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	42	-179.7	-161.8	39.1	0	0	0	113.2	K265 G673 E674 S697 A699	K265-N671 HydrophobicContact CD-CB 3.58Å; K265-N671 HydrophobicContact CG-CB 3.8Å; K265-N671 VanDerWaalsContact NZ-CB 3.25Å; N671-G673 PolarHBondContact O-N 3Å; N671-E674 WeakPolarHBondContact ND2-CB 3.33Å; N671-E674 VanDerWaalsContact ND2-CG 3.29Å; N671-E674 WeakPolarHBondContact ND2-CG 3.4Å; N671-E674 PolarHBondContact ND2-OE2 3.15Å; N671-E674 WeakPolarHBondContact O-CB 3.3Å; N671-E674 PolarHBondContact O-N 2.68Å; N671-S697 WeakPolarHBondContact CA-O 3.4Å; N671-S697 PolarHBondContact N-O 2.71Å; N671-S697 PolarHBondContact N-OG 2.79Å; N671-A699 WeakPolarHBondContact OD1-CA 3.2Å; N671-A699 WeakPolarHBondContact OD1-CB 3.49Å
672	Y	97.9	Very high	96.8	Very high	2 Å²	2	12.8 Å²	12.8	1%	0.008	7%	0.069	C	C	.	.	B	Isolated β-bridge	trans	-60.6	132.9	178.1	174.9	-86.3	0	0	0	110.7	I595 C599 I604 F625 D670 V693 V695 S697 F698 A699 H702	I595-Y672 HydrophobicContact CD1-CD2 4.49Å; I595-Y672 HydrophobicContact CD1-CE2 3.73Å; C599-Y672 HydrophobicContact CB-CD2 3.68Å; C599-Y672 HydrophobicContact CB-CE2 4.02Å; I604-Y672 HydrophobicContact CD1-CE1 3.81Å; I604-Y672 HydrophobicContact CD1-CE2 4.14Å; F625-Y672 HydrophobicContact CE1-CE2 4.29Å; F625-Y672 WeakPolarHBondContact CE1-OH 3.43Å; F625-Y672 WeakPolarHBondContact CZ-OH 3.42Å; D670-Y672 PolarHBondContact O-N 3.37Å; Y672-V693 HydrophobicContact CD1-CG1 3.99Å; Y672-V693 HydrophobicContact CE1-CG1 3.54Å; Y672-V695 HydrophobicContact CD1-CG1 4.06Å; Y672-V695 HydrophobicContact CD2-CG1 4.09Å; Y672-V695 HydrophobicContact CG-CG1 3.69Å; Y672-S697 PolarHBondContact N-O 2.62Å; Y672-F698 AromaticContact CD1-CD1 3.8Å; Y672-F698 HydrophobicContact CD1-CD1 3.8Å; Y672-F698 AromaticContact CD1-CE1 3.71Å; Y672-F698 HydrophobicContact CD1-CE1 3.71Å; Y672-F698 HydrophobicContact CE1-CE1 4.24Å; Y672-A699 PolarHBondContact O-N 3.29Å; Y672-H702 AromaticContact CD1-CD2 3.64Å; Y672-H702 AromaticContact CD1-NE2 3.9Å; Y672-H702 AromaticContact CE1-CD2 3.46Å; Y672-H702 VanDerWaalsContact CE1-CD2 3.46Å; Y672-H702 WeakPolarHBondContact CE1-CD2 3.3Å; Y672-H702 AromaticContact CE1-NE2 3.19Å; Y672-H702 WeakPolarHBondContact CE1-NE2 3.16Å
673	G	96.9	Very high	96.8	Very high	3 Å²	3	9.1 Å²	9.1	3%	0.031	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.4	23.8	-174.9	0	0	0	0	0	114.2	C599 T601 N671 A699	C599-G673 PolarHBondContact O-N 3.37Å; T601-G673 WeakPolarHBondContact CG2-O 3.38Å; N671-G673 PolarHBondContact O-N 3Å; G673-A699 WeakPolarHBondContact O-CB 3.49Å
674	E	94.5	Very high	96.8	Very high	13 Å²	13	8.5 Å²	8.5	6%	0.061	5%	0.049	C	C	.	.	B	Isolated β-bridge	trans	-56.3	143.1	173.5	-174.6	-175.1	136.9	0	0	112.2	A264 F483 K598 T600 T601 N671	A264-E674 WeakPolarHBondContact CB-OE1 3.35Å; F483-E674 HydrophobicContact CZ-CG 4.4Å; F483-E674 WeakPolarHBondContact CZ-OE1 3.39Å; K598-E674 VanDerWaalsContact CE-CD 3.44Å; K598-E674 WeakPolarHBondContact CE-OE1 3.08Å; K598-E674 VanDerWaalsContact CE-OE2 3.27Å; K598-E674 WeakPolarHBondContact CE-OE2 3.43Å; K598-E674 IonicContact NZ-OE1 3.85Å; K598-E674 PolarHBondContact NZ-OE1 2.88Å; K598-E674 IonicContact NZ-OE2 2.69Å; K598-E674 PolarHBondContact NZ-OE2 2.84Å; T600-E674 CarbonylContact C-O 3.59Å; T600-E674 WeakPolarHBondContact CA-O 3.47Å; T600-E674 VanDerWaalsContact CB-O 3.25Å; T600-E674 WeakPolarHBondContact CB-O 3.46Å; T600-E674 HydrophobicContact CG2-CB 4.36Å; T601-E674 PolarHBondContact N-O 3.45Å; N671-E674 WeakPolarHBondContact ND2-CB 3.33Å; N671-E674 VanDerWaalsContact ND2-CG 3.29Å; N671-E674 WeakPolarHBondContact ND2-CG 3.4Å; N671-E674 PolarHBondContact ND2-OE2 3.15Å; N671-E674 WeakPolarHBondContact O-CB 3.3Å; N671-E674 PolarHBondContact O-N 2.68Å
675	G	91.8	Very high	96.8	Very high	21 Å²	21	8.5 Å²	8.5	22%	0.216	5%	0.05	C	C	.	.	S	Bend	trans	107.7	-121.2	166.1	0	0	0	0	0	114.6
676	S	91.4	Very high	96.8	Very high	11 Å²	11	9.7 Å²	9.7	8%	0.077	5%	0.054	C	C	.	.			trans	-65.6	147.1	-170.6	-104.5	0	0	0	0	111.6	R481 T601 R678	R481-S676 PolarHBondContact NH1-OG 3.12Å; T601-S676 WeakPolarHBondContact CG2-O 3.01Å; T601-S676 WeakPolarHBondContact OG1-CA 3.46Å; T601-S676 WeakPolarHBondContact OG1-CB 3.34Å; T601-S676 PolarHBondContact OG1-N 3.38Å; T601-S676 PolarHBondContact OG1-O 2.84Å; S676-R678 PolarHBondContact O-N 3.46Å; S676-R678 VanDerWaalsContact O-N 3.16Å; S676-R678 PolarHBondContact OG-NH2 3.01Å; S676-R678 VanDerWaalsContact OG-NH2 3.15Å
677	S	94	Very high	96.8	Very high	2 Å²	2	12.2 Å²	12.2	1%	0.014	6%	0.064	C	C	.	.			trans	-72.4	-1.8	-179.9	61	0	0	0	0	115.7	T198 D199 S200 V215 E679 N705	T198-S677 PolarHBondContact O-OG 2.88Å; D199-S677 WeakPolarHBondContact CA-OG 3.27Å; D199-S677 PolarHBondContact N-OG 3.38Å; S200-S677 PolarHBondContact N-OG 3.09Å; V215-S677 VanDerWaalsContact O-CB 3.31Å; V215-S677 WeakPolarHBondContact O-CB 3.5Å; S677-E679 PolarHBondContact O-N 3.37Å; S677-E679 VanDerWaalsContact O-N 3.14Å; S677-N705 PolarHBondContact O-ND2 3.12Å; S677-N705 VanDerWaalsContact O-ND2 3.09Å
678	R	94.2	Very high	96.8	Very high	7 Å²	7	12.2 Å²	12.2	3%	0.026	6%	0.064	C	C	.	.			trans	-50.6	117.3	-170.9	65.4	-169.5	63.5	160.7	11	112.2	R486 D602 S605 S676 H680 A681	R486-R678 VanDerWaalsContact NH1-NH2 3.13Å; D602-R678 IonicContact OD1-CZ 3.94Å; D602-R678 VanDerWaalsContact OD1-CZ 3.26Å; D602-R678 IonicContact OD1-NH1 3.5Å; D602-R678 PolarHBondContact OD1-NH1 2.67Å; D602-R678 IonicContact OD1-NH2 3.93Å; D602-R678 PolarHBondContact OD1-NH2 3.25Å; D602-R678 IonicContact OD2-NH2 3.06Å; S605-R678 VanDerWaalsContact O-CD 3.27Å; S605-R678 WeakPolarHBondContact O-CD 3.33Å; S605-R678 PolarHBondContact O-NH1 2.77Å; S676-R678 PolarHBondContact O-N 3.46Å; S676-R678 VanDerWaalsContact O-N 3.16Å; S676-R678 PolarHBondContact OG-NH2 3.01Å; S676-R678 VanDerWaalsContact OG-NH2 3.15Å; R678-H680 PolarHBondContact O-N 3.33Å; R678-A681 HydrophobicContact CG-CB 4.27Å; R678-A681 PolarHBondContact O-N 3.45Å
679	E	97.7	Very high	96.8	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.005	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-17	177.9	64.7	-178.7	157.5	0	0	113	M112 Q116 G217 A218 S677 A681 A682 L683	M112-E679 WeakPolarHBondContact CB-OE1 3.39Å; M112-E679 HydrophobicContact CG-CG 4.36Å; M112-E679 VanDerWaalsContact CG-OE1 3.27Å; M112-E679 WeakPolarHBondContact CG-OE1 3.43Å; Q116-E679 PolarHBondContact NE2-OE1 2.89Å; Q116-E679 PolarHBondContact NE2-OE2 3.39Å; G217-E679 WeakPolarHBondContact CA-OE1 3.4Å; G217-E679 WeakPolarHBondContact CA-OE2 3.32Å; G217-E679 PolarHBondContact N-OE2 3.34Å; A218-E679 PolarHBondContact N-OE2 2.88Å; S677-E679 PolarHBondContact O-N 3.37Å; S677-E679 VanDerWaalsContact O-N 3.14Å; E679-A681 PolarHBondContact O-N 3.49Å; E679-A682 WeakPolarHBondContact O-CA 3.41Å; E679-A682 WeakPolarHBondContact O-CB 3.41Å; E679-A682 PolarHBondContact O-N 3.3Å; E679-L683 HydrophobicContact CG-CD1 3.82Å; E679-L683 PolarHBondContact O-N 3.13Å
680	H	98.5	Very high	96.8	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-57.3	-31.8	174.3	-51.9	80.6	0	0	0	112.5	R614 I620 R678 A682 L683 E684	R614-H680 WeakPolarHBondContact CD-CE1 3.43Å; R614-H680 PolarHBondContact NH1-ND1 2.77Å; R614-H680 PolarHBondContact O-NE2 3.12Å; I620-H680 HydrophobicContact CD1-CB 4.46Å; R678-H680 PolarHBondContact O-N 3.33Å; H680-A682 PolarHBondContact O-N 3.06Å; H680-L683 PolarHBondContact O-N 3.47Å; H680-E684 HydrophobicContact CB-CG 4.39Å; H680-E684 WeakPolarHBondContact CB-OE1 3.44Å; H680-E684 WeakPolarHBondContact O-CB 3.19Å; H680-E684 VanDerWaalsContact O-CG 3.23Å; H680-E684 WeakPolarHBondContact O-CG 3.22Å; H680-E684 PolarHBondContact O-N 3.38Å
681	A	98.4	Very high	97	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-59.5	-19.1	173.4	0	0	0	0	0	113.3	T601 I604 R678 E679 P685 H702	T601-A681 HydrophobicContact CG2-CB 4.03Å; I604-A681 HydrophobicContact CB-CB 4.06Å; I604-A681 HydrophobicContact CD1-CB 4.39Å; I604-A681 HydrophobicContact CG2-CB 3.81Å; I604-A681 WeakPolarHBondContact CG2-O 3.12Å; R678-A681 HydrophobicContact CG-CB 4.27Å; R678-A681 PolarHBondContact O-N 3.45Å; E679-A681 PolarHBondContact O-N 3.49Å; A681-P685 VanDerWaalsContact O-CD 3.28Å; A681-P685 WeakPolarHBondContact O-CD 3.38Å; A681-P685 VanDerWaalsContact O-CG 3.29Å; A681-P685 WeakPolarHBondContact O-CG 3.46Å; A681-H702 PolarHBondContact O-CE1 2.81Å
682	A	98.7	Very high	97.1	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-102.5	-39.7	171.3	0	0	0	0	0	112.7	E679 H680 E684 R686 N705 L706 Q709 I711	E679-A682 WeakPolarHBondContact O-CA 3.41Å; E679-A682 WeakPolarHBondContact O-CB 3.41Å; E679-A682 PolarHBondContact O-N 3.3Å; H680-A682 PolarHBondContact O-N 3.06Å; A682-E684 PolarHBondContact O-N 3.26Å; A682-R686 WeakPolarHBondContact O-CB 3.47Å; A682-R686 PolarHBondContact O-N 3.35Å; A682-R686 VanDerWaalsContact O-N 3.17Å; A682-N705 VanDerWaalsContact CB-C 3.47Å; A682-N705 HydrophobicContact CB-CB 3.78Å; A682-N705 WeakPolarHBondContact CB-O 3.47Å; A682-L706 HydrophobicContact CB-CD2 3.88Å; A682-L706 HydrophobicContact CB-CG 4.29Å; A682-Q709 HydrophobicContact CB-CB 4.45Å; A682-Q709 HydrophobicContact CB-CG 3.96Å; A682-I711 WeakPolarHBondContact O-CD1 3.49Å
683	L	98.5	Very high	97.2	Very high	2 Å²	2	10.4 Å²	10.4	1%	0.01	6%	0.056	C	C	.	.	H	α-helix	trans	-62.5	-40.2	179.1	-71	163.4	0	0	0	112.5	M112 F578 L617 E679 H680 R686 Y687 Q709	M112-L683 HydrophobicContact CE-CD1 4.45Å; M112-L683 HydrophobicContact CG-CD1 3.46Å; M112-L683 VanDerWaalsContact CG-CD1 3.46Å; M112-L683 HydrophobicContact SD-CD1 3.94Å; F578-L683 HydrophobicContact CE2-CD2 3.82Å; F578-L683 HydrophobicContact CZ-CD2 4Å; L617-L683 HydrophobicContact CD1-CB 3.6Å; L617-L683 HydrophobicContact CD2-CB 4.36Å; E679-L683 HydrophobicContact CG-CD1 3.82Å; E679-L683 PolarHBondContact O-N 3.13Å; H680-L683 PolarHBondContact O-N 3.47Å; L683-R686 PolarHBondContact O-N 2.68Å; L683-Y687 WeakPolarHBondContact O-CB 3.32Å; L683-Y687 PolarHBondContact O-N 3.18Å; L683-Q709 HydrophobicContact CD2-CG 3.83Å; L683-Q709 HydrophobicContact CG-CG 4.04Å
684	E	98.8	Very high	97.3	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-67.2	-51	-177.2	-64.8	172.5	-128.2	0	0	111.9	S605 L617 I620 S621 N623 M624 H680 A682 R686 Y687 L688	S605-E684 WeakPolarHBondContact CB-OE1 3.32Å; S605-E684 PolarHBondContact OG-OE1 2.95Å; L617-E684 HydrophobicContact CD1-CG 4.26Å; I620-E684 HydrophobicContact CG2-CG 4.11Å; S621-E684 WeakPolarHBondContact CA-OE2 3.3Å; N623-E684 PolarHBondContact OD1-OE1 2.79Å; N623-E684 PolarHBondContact OD1-OE2 3.39Å; M624-E684 HydrophobicContact CB-CB 4.3Å; M624-E684 HydrophobicContact CG-CB 4.2Å; M624-E684 PolarHBondContact N-OE2 3.46Å; H680-E684 HydrophobicContact CB-CG 4.39Å; H680-E684 WeakPolarHBondContact CB-OE1 3.44Å; H680-E684 WeakPolarHBondContact O-CB 3.19Å; H680-E684 VanDerWaalsContact O-CG 3.23Å; H680-E684 WeakPolarHBondContact O-CG 3.22Å; H680-E684 PolarHBondContact O-N 3.38Å; A682-E684 PolarHBondContact O-N 3.26Å; E684-R686 VanDerWaalsContact C-N 3.27Å; E684-R686 PolarHBondContact O-N 2.94Å; E684-Y687 PolarHBondContact O-N 3.2Å; E684-L688 PolarHBondContact O-N 2.98Å
685	P	98.7	Very high	97.5	Very high	1 Å²	1	9.6 Å²	9.6	1%	0.006	5%	0.052	C	C	.	.	H	α-helix	trans	-49.4	-47	167.7	-33.9	39.3	0	0	0	113.3	M624 F625 W664 A681 Y687 L688 G689 G690 I711	M624-P685 HydrophobicContact CG-CG 4.31Å; M624-P685 VanDerWaalsContact SD-CA 3.51Å; M624-P685 HydrophobicContact SD-CB 4.27Å; M624-P685 HydrophobicContact SD-CG 3.99Å; F625-P685 HydrophobicContact CE2-CG 4.13Å; F625-P685 HydrophobicContact CZ-CG 4.27Å; W664-P685 HydrophobicContact CH2-CB 3.71Å; W664-P685 HydrophobicContact CH2-CG 4.48Å; W664-P685 HydrophobicContact CZ2-CB 4.46Å; W664-P685 WeakPolarHBondContact CZ2-O 3.01Å; A681-P685 VanDerWaalsContact O-CD 3.28Å; A681-P685 WeakPolarHBondContact O-CD 3.38Å; A681-P685 VanDerWaalsContact O-CG 3.29Å; A681-P685 WeakPolarHBondContact O-CG 3.46Å; P685-Y687 PolarHBondContact O-N 3.4Å; P685-L688 PolarHBondContact O-N 2.87Å; P685-G689 PolarHBondContact O-N 3Å; P685-G690 WeakPolarHBondContact O-CA 3.44Å; P685-G690 PolarHBondContact O-N 3.39Å; P685-I711 HydrophobicContact CB-CD1 3.69Å
686	R	98.6	Very high	97.8	Very high	25 Å²	25	10.9 Å²	10.9	9%	0.094	5%	0.051	C	C	.	.	H	α-helix	trans	-63.9	-45.2	-177.8	-177.3	61.7	175.4	103.2	-3.7	111.2	F578 E579 A682 L683 E684 L688 G689 Q709 I711	F578-R686 HydrophobicContact CD1-CG 3.78Å; F578-R686 HydrophobicContact CD2-CG 3.78Å; F578-R686 HydrophobicContact CE1-CB 4.32Å; F578-R686 HydrophobicContact CE1-CG 3.73Å; F578-R686 HydrophobicContact CE2-CB 4.32Å; F578-R686 HydrophobicContact CE2-CG 3.72Å; F578-R686 HydrophobicContact CG-CG 3.81Å; F578-R686 HydrophobicContact CZ-CB 4.05Å; F578-R686 HydrophobicContact CZ-CG 3.69Å; E579-R686 PolarHBondContact O-NH2 2.97Å; A682-R686 WeakPolarHBondContact O-CB 3.47Å; A682-R686 PolarHBondContact O-N 3.35Å; A682-R686 VanDerWaalsContact O-N 3.17Å; L683-R686 PolarHBondContact O-N 2.68Å; E684-R686 VanDerWaalsContact C-N 3.27Å; E684-R686 PolarHBondContact O-N 2.94Å; R686-L688 VanDerWaalsContact C-N 3.31Å; R686-L688 PolarHBondContact O-N 2.94Å; R686-G689 PolarHBondContact O-N 2.74Å; R686-Q709 HydrophobicContact CB-CB 4.26Å; R686-Q709 WeakPolarHBondContact CD-O 3.41Å; R686-Q709 HydrophobicContact CG-CB 4.4Å; R686-Q709 VanDerWaalsContact CG-O 3.27Å; R686-Q709 WeakPolarHBondContact CG-O 3.45Å; R686-Q709 PolarHBondContact NE-O 3.36Å; R686-Q709 VanDerWaalsContact NE-O 3.14Å; R686-I711 HydrophobicContact CB-CD1 3.87Å; R686-I711 HydrophobicContact CB-CG1 4.06Å
687	Y	98.4	Very high	98.1	Very high	53 Å²	53	12.1 Å²	12.1	21%	0.208	6%	0.06	C	C	.	.	H	α-helix	trans	-63.6	-37	179.4	178.3	-98.3	0	0	0	111.8	L617 D618 S621 K658 L683 E684 P685 G689	L617-Y687 HydrophobicContact CD2-CD2 3.92Å; L617-Y687 HydrophobicContact CD2-CG 4.13Å; L617-Y687 HydrophobicContact CG-CD2 4.1Å; L617-Y687 HydrophobicContact CG-CG 4.01Å; D618-Y687 HydrophobicContact CB-CE1 4.05Å; D618-Y687 WeakPolarHBondContact CB-OH 3.32Å; D618-Y687 WeakPolarHBondContact OD1-CE1 3.47Å; D618-Y687 VanDerWaalsContact OD1-CZ 3.31Å; D618-Y687 PolarHBondContact OD1-OH 2.67Å; S621-Y687 VanDerWaalsContact OG-CD1 3.32Å; S621-Y687 WeakPolarHBondContact OG-CD1 3.25Å; K658-Y687 VanDerWaalsContact CD-O 3.3Å; K658-Y687 WeakPolarHBondContact CD-O 3.19Å; K658-Y687 VanDerWaalsContact CE-O 3.27Å; K658-Y687 WeakPolarHBondContact CE-O 3.46Å; K658-Y687 PolarHBondContact NZ-O 2.48Å; L683-Y687 WeakPolarHBondContact O-CB 3.32Å; L683-Y687 PolarHBondContact O-N 3.18Å; E684-Y687 PolarHBondContact O-N 3.2Å; P685-Y687 PolarHBondContact O-N 3.4Å; Y687-G689 VanDerWaalsContact C-N 3.31Å; Y687-G689 PolarHBondContact O-N 3.21Å
688	L	98.6	Very high	98.3	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	16.7	179.3	-64.8	-173.3	0	0	0	114.4	S621 M624 A654 R655 W664 E684 P685 R686	S621-L688 WeakPolarHBondContact O-CD1 3.37Å; M624-L688 HydrophobicContact CB-CD1 4.19Å; M624-L688 HydrophobicContact CE-CB 4.2Å; M624-L688 HydrophobicContact CE-CD1 3.68Å; M624-L688 HydrophobicContact SD-CB 4.15Å; M624-L688 HydrophobicContact SD-CD1 3.84Å; M624-L688 HydrophobicContact SD-CG 4.41Å; A654-L688 HydrophobicContact CB-CB 3.99Å; A654-L688 HydrophobicContact CB-CD1 4.15Å; R655-L688 HydrophobicContact CG-CD2 3.56Å; W664-L688 HydrophobicContact CZ2-CB 4.38Å; W664-L688 PolarHBondContact NE1-O 2.96Å; E684-L688 PolarHBondContact O-N 2.98Å; P685-L688 PolarHBondContact O-N 2.87Å; R686-L688 VanDerWaalsContact C-N 3.31Å; R686-L688 PolarHBondContact O-N 2.94Å
689	G	98.1	Very high	98.4	Very high	13 Å²	13	13 Å²	13	13%	0.134	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.5	9.4	170.5	0	0	0	0	0	115.4	P685 R686 Y687	P685-G689 PolarHBondContact O-N 3Å; R686-G689 PolarHBondContact O-N 2.74Å; Y687-G689 VanDerWaalsContact C-N 3.31Å; Y687-G689 PolarHBondContact O-N 3.21Å
690	G	98.6	Very high	98.3	Very high	1 Å²	1	15 Å²	15	1%	0.01	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	139	173.6	0	0	0	0	0	111.8	W664 P685	W664-G690 VanDerWaalsContact CZ2-CA 3.41Å; P685-G690 WeakPolarHBondContact O-CA 3.44Å; P685-G690 PolarHBondContact O-N 3.39Å
691	K	98.6	Very high	98.2	Very high	63 Å²	63	16.3 Å²	16.3	27%	0.274	8%	0.081	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	-40.5	-175.7	-64.1	-62	-177.2	172.2	0	112.9	M586 L589 W664 L712	M586-K691 HydrophobicContact CE-CB 4.42Å; M586-K691 HydrophobicContact CE-CD 4.25Å; M586-K691 HydrophobicContact SD-CB 3.7Å; M586-K691 HydrophobicContact SD-CD 4.34Å; M586-K691 HydrophobicContact SD-CG 4.24Å; L589-K691 HydrophobicContact CD1-CB 4.09Å; L589-K691 HydrophobicContact CD2-CB 4.39Å; L589-K691 HydrophobicContact CD2-CG 3.97Å; W664-K691 PolarHBondContact O-N 2.92Å; K691-L712 PolarHBondContact O-N 3.44Å; K691-L712 VanDerWaalsContact O-N 3.12Å
692	A	98.8	Very high	98.2	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.008	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	153.4	178.5	0	0	0	0	0	111.8	V665 V666 I694 L712 L714 L733	V665-A692 VanDerWaalsContact CA-O 3.29Å; V665-A692 WeakPolarHBondContact CA-O 3.17Å; V665-A692 HydrophobicContact CG1-CB 3.86Å; V666-A692 PolarHBondContact N-O 3.27Å; A692-I694 HydrophobicContact CB-CG1 4.44Å; A692-L712 VanDerWaalsContact CA-O 3.29Å; A692-L712 WeakPolarHBondContact CA-O 3.45Å; A692-L712 HydrophobicContact CB-CB 3.88Å; A692-L714 HydrophobicContact CB-CD1 4.44Å; A692-L733 HydrophobicContact CB-CD1 3.65Å
693	V	98.9	Very high	98.2	Very high	1 Å²	1	18 Å²	18	1%	0.006	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	123.2	168	175.2	0	0	0	0	106.6	Y672 V695 F698 L706 I711 L712 L714	Y672-V693 HydrophobicContact CD1-CG1 3.99Å; Y672-V693 HydrophobicContact CE1-CG1 3.54Å; V693-V695 HydrophobicContact CG1-CG1 3.71Å; V693-F698 HydrophobicContact CB-CE1 4.33Å; V693-F698 HydrophobicContact CB-CZ 4.28Å; V693-F698 HydrophobicContact CG1-CE1 3.72Å; V693-F698 HydrophobicContact CG1-CZ 3.94Å; V693-L706 HydrophobicContact CB-CD1 4.08Å; V693-L706 HydrophobicContact CG1-CD1 4.36Å; V693-L706 HydrophobicContact CG2-CD1 4.23Å; V693-L706 HydrophobicContact CG2-CD2 4.1Å; V693-I711 HydrophobicContact CG2-CG2 4.15Å; V693-L712 PolarHBondContact N-O 2.7Å; V693-L714 PolarHBondContact O-N 3.46Å
694	I	98.9	Very high	98.2	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	113.6	-172.3	-55.2	165.5	0	0	0	108.8	V665 V666 F667 G668 A692 L714 F716 V731 L733 L761	V665-I694 HydrophobicContact CB-CD1 4.47Å; V666-I694 PolarHBondContact O-N 3.19Å; F667-I694 CarbonylContact C-O 3.45Å; F667-I694 WeakPolarHBondContact CA-O 3.28Å; F667-I694 HydrophobicContact CD1-CB 3.65Å; F667-I694 HydrophobicContact CD1-CD1 4.32Å; F667-I694 HydrophobicContact CD1-CG2 3.83Å; F667-I694 HydrophobicContact CE1-CB 3.7Å; F667-I694 HydrophobicContact CE1-CD1 3.57Å; F667-I694 HydrophobicContact CE1-CG1 4.23Å; F667-I694 HydrophobicContact CE1-CG2 3.71Å; F667-I694 HydrophobicContact CZ-CD1 3.76Å; G668-I694 PolarHBondContact N-O 2.97Å; A692-I694 HydrophobicContact CB-CG1 4.44Å; I694-L714 WeakPolarHBondContact CA-O 3.36Å; I694-L714 HydrophobicContact CG1-CB 4.19Å; I694-L714 HydrophobicContact CG1-CD1 4.33Å; I694-F716 HydrophobicContact CG2-CD1 4.36Å; I694-F716 HydrophobicContact CG2-CD2 4.45Å; I694-F716 HydrophobicContact CG2-CE1 4.01Å; I694-F716 HydrophobicContact CG2-CE2 4.06Å; I694-F716 HydrophobicContact CG2-CZ 3.86Å; I694-V731 HydrophobicContact CD1-CG1 4.43Å; I694-L733 HydrophobicContact CD1-CD2 4.34Å; I694-L761 HydrophobicContact CD1-CD1 3.8Å; I694-L761 HydrophobicContact CG1-CD1 3.96Å; I694-L761 HydrophobicContact CG2-CD1 3.82Å; I694-L761 HydrophobicContact CG2-CD2 3.55Å; I694-L761 HydrophobicContact CG2-CG 4.34Å
695	V	98.8	Very high	98.2	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	169.4	-169	-56.4	0	0	0	0	113	G668 Y672 V693 S697 F698 L714 T715 F716	G668-V695 VanDerWaalsContact O-CA 3.22Å; G668-V695 WeakPolarHBondContact O-CA 3.13Å; Y672-V695 HydrophobicContact CD1-CG1 4.06Å; Y672-V695 HydrophobicContact CD2-CG1 4.09Å; Y672-V695 HydrophobicContact CG-CG1 3.69Å; V693-V695 HydrophobicContact CG1-CG1 3.71Å; V695-S697 WeakPolarHBondContact CG2-O 3.48Å; V695-F698 HydrophobicContact CB-CZ 4.43Å; V695-F698 HydrophobicContact CG1-CE1 4.15Å; V695-F698 HydrophobicContact CG1-CZ 4.23Å; V695-F698 HydrophobicContact CG2-CD1 3.82Å; V695-F698 HydrophobicContact CG2-CD2 3.55Å; V695-F698 HydrophobicContact CG2-CE1 3.63Å; V695-F698 HydrophobicContact CG2-CE2 3.36Å; V695-F698 HydrophobicContact CG2-CG 3.77Å; V695-F698 HydrophobicContact CG2-CZ 3.39Å; V695-L714 PolarHBondContact N-O 2.79Å; V695-T715 HydrophobicContact CG2-CG2 4.12Å; V695-T715 CarbonylContact O-C 3.5Å; V695-T715 WeakPolarHBondContact O-CA 3.5Å; V695-F716 VanDerWaalsContact C-CD2 3.46Å; V695-F716 VanDerWaalsContact O-CD2 3.24Å; V695-F716 WeakPolarHBondContact O-CD2 3.3Å; V695-F716 PolarHBondContact O-N 3.21Å
696	K	98.4	Very high	98.2	Very high	47 Å²	47	19 Å²	19	20%	0.204	10%	0.095	C	C	.	.	S	Bend	trans	-70.9	-43.2	170.8	-63	176.3	179.2	169.2	0	110.9	G668 E669 D670 F716 P719	G668-K696 PolarHBondContact O-N 3.22Å; E669-K696 HydrophobicContact CB-CD 4.28Å; E669-K696 PolarHBondContact O-N 3.34Å; E669-K696 VanDerWaalsContact O-N 3.14Å; E669-K696 IonicContact OE2-NZ 3.71Å; E669-K696 PolarHBondContact OE2-NZ 3.24Å; D670-K696 VanDerWaalsContact OD1-CB 3.24Å; D670-K696 WeakPolarHBondContact OD1-CB 3.42Å; D670-K696 VanDerWaalsContact OD2-CD 3.3Å; D670-K696 WeakPolarHBondContact OD2-CD 3.48Å; K696-F716 HydrophobicContact CG-CD2 4.33Å; K696-P719 HydrophobicContact CB-CB 4.47Å; K696-P719 HydrophobicContact CD-CB 4.36Å; K696-P719 HydrophobicContact CG-CB 4.13Å
697	S	97.8	Very high	98.2	Very high	38 Å²	38	18 Å²	18	27%	0.266	9%	0.091	S	C	.	.			trans	-157.6	154	175.1	51.1	0	0	0	0	112	E669 D670 N671 Y672 V695	E669-S697 PolarHBondContact O-N 3.44Å; D670-S697 VanDerWaalsContact CA-OG 3.25Å; D670-S697 WeakPolarHBondContact CA-OG 3.4Å; D670-S697 WeakPolarHBondContact CB-OG 3.29Å; D670-S697 PolarHBondContact OD1-OG 2.95Å; D670-S697 VanDerWaalsContact OD1-OG 3.13Å; N671-S697 WeakPolarHBondContact CA-O 3.4Å; N671-S697 PolarHBondContact N-O 2.71Å; N671-S697 PolarHBondContact N-OG 2.79Å; Y672-S697 PolarHBondContact N-O 2.62Å; V695-S697 WeakPolarHBondContact CG2-O 3.48Å
698	F	97.8	Very high	98.1	Very high	15 Å²	15	15.5 Å²	15.5	7%	0.066	8%	0.081	C	C	.	.	B	Isolated β-bridge	trans	-106.9	154.4	177.5	-72.1	-79	0	0	0	112.6	Y672 V693 V695 E703 L706 A713 L714 T715	Y672-F698 AromaticContact CD1-CD1 3.8Å; Y672-F698 HydrophobicContact CD1-CD1 3.8Å; Y672-F698 AromaticContact CD1-CE1 3.71Å; Y672-F698 HydrophobicContact CD1-CE1 3.71Å; Y672-F698 HydrophobicContact CE1-CE1 4.24Å; V693-F698 HydrophobicContact CB-CE1 4.33Å; V693-F698 HydrophobicContact CB-CZ 4.28Å; V693-F698 HydrophobicContact CG1-CE1 3.72Å; V693-F698 HydrophobicContact CG1-CZ 3.94Å; V695-F698 HydrophobicContact CB-CZ 4.43Å; V695-F698 HydrophobicContact CG1-CE1 4.15Å; V695-F698 HydrophobicContact CG1-CZ 4.23Å; V695-F698 HydrophobicContact CG2-CD1 3.82Å; V695-F698 HydrophobicContact CG2-CD2 3.55Å; V695-F698 HydrophobicContact CG2-CE1 3.63Å; V695-F698 HydrophobicContact CG2-CE2 3.36Å; V695-F698 HydrophobicContact CG2-CG 3.77Å; V695-F698 HydrophobicContact CG2-CZ 3.39Å; F698-E703 HydrophobicContact CB-CB 3.81Å; F698-E703 HydrophobicContact CB-CG 4.2Å; F698-E703 HydrophobicContact CD2-CG 4.06Å; F698-E703 HydrophobicContact CG-CB 4.08Å; F698-E703 HydrophobicContact CG-CG 4.14Å; F698-L706 HydrophobicContact CD1-CD1 4.18Å; F698-L706 HydrophobicContact CE1-CD1 3.52Å; F698-L706 HydrophobicContact CZ-CD1 4.14Å; F698-A713 HydrophobicContact CE1-CB 4.44Å; F698-A713 HydrophobicContact CE2-CB 3.87Å; F698-A713 HydrophobicContact CZ-CB 3.82Å; F698-L714 WeakPolarHBondContact CE2-O 3.39Å; F698-T715 HydrophobicContact CD2-CG2 3.69Å; F698-T715 HydrophobicContact CE2-CG2 3.82Å
699	A	96.8	Very high	98.1	Very high	13 Å²	13	15.7 Å²	15.7	11%	0.107	8%	0.082	C	C	.	.			trans	-77.4	142.6	157.5	0	0	0	0	0	111	N671 Y672 G673 I701 H702 E703	N671-A699 WeakPolarHBondContact OD1-CA 3.2Å; N671-A699 WeakPolarHBondContact OD1-CB 3.49Å; Y672-A699 PolarHBondContact O-N 3.29Å; G673-A699 WeakPolarHBondContact O-CB 3.49Å; A699-I701 PolarHBondContact O-N 2.73Å; A699-H702 PolarHBondContact O-N 3.36Å; A699-E703 PolarHBondContact O-N 3.49Å; A699-E703 VanDerWaalsContact O-N 3.09Å
700	R	96.6	Very high	98.1	Very high	41 Å²	41	15.4 Å²	15.4	16%	0.155	8%	0.079	C	C	.	.	H	α-helix	trans	-50	-56.9	-170.8	-169.9	-152.3	76.5	76.1	-10	114.5	G214 H702 E703 T704	G214-R700 PolarHBondContact O-NH2 3.5Å; R700-H702 VanDerWaalsContact C-N 3.32Å; R700-H702 PolarHBondContact O-N 2.93Å; R700-E703 PolarHBondContact O-N 2.89Å; R700-T704 PolarHBondContact O-N 3.41Å; R700-T704 PolarHBondContact O-OG1 3.02Å
701	I	96.5	Very high	98.1	Very high	29 Å²	29	15.4 Å²	15.4	15%	0.149	8%	0.079	C	C	.	.	H	α-helix	trans	-65.4	-40.1	-173.5	-62	166.2	0	0	0	110.4	G214 A699 T704 N705	G214-I701 WeakPolarHBondContact O-CD1 3.4Å; G214-I701 WeakPolarHBondContact O-CG1 3.17Å; A699-I701 PolarHBondContact O-N 2.73Å; I701-T704 PolarHBondContact O-N 2.72Å; I701-N705 PolarHBondContact O-N 2.76Å; I701-N705 PolarHBondContact O-ND2 3.05Å
702	H	98.2	Very high	98.1	Very high	3 Å²	3	12.4 Å²	12.4	1%	0.014	7%	0.066	C	C	.	.	H	α-helix	trans	-69.3	-39.4	-176.8	-171.3	52.6	0	0	0	112	Y672 A681 A699 R700 T704 N705 L706	Y672-H702 AromaticContact CD1-CD2 3.64Å; Y672-H702 AromaticContact CD1-NE2 3.9Å; Y672-H702 AromaticContact CE1-CD2 3.46Å; Y672-H702 VanDerWaalsContact CE1-CD2 3.46Å; Y672-H702 WeakPolarHBondContact CE1-CD2 3.3Å; Y672-H702 AromaticContact CE1-NE2 3.19Å; Y672-H702 WeakPolarHBondContact CE1-NE2 3.16Å; A681-H702 PolarHBondContact O-CE1 2.81Å; A699-H702 PolarHBondContact O-N 3.36Å; R700-H702 VanDerWaalsContact C-N 3.32Å; R700-H702 PolarHBondContact O-N 2.93Å; H702-T704 PolarHBondContact O-N 3.34Å; H702-N705 PolarHBondContact O-N 3.36Å; H702-L706 WeakPolarHBondContact O-CG 3.49Å; H702-L706 PolarHBondContact O-N 3.35Å
703	E	98.3	Very high	98.1	Very high	33 Å²	33	12.4 Å²	12.4	15%	0.154	7%	0.066	C	C	.	.	H	α-helix	trans	-56.6	-49.1	172.9	-167.3	-176.8	-177.8	0	0	111.2	F698 A699 R700 N705 L706 K707 A713 T764	F698-E703 HydrophobicContact CB-CB 3.81Å; F698-E703 HydrophobicContact CB-CG 4.2Å; F698-E703 HydrophobicContact CD2-CG 4.06Å; F698-E703 HydrophobicContact CG-CB 4.08Å; F698-E703 HydrophobicContact CG-CG 4.14Å; A699-E703 PolarHBondContact O-N 3.49Å; A699-E703 VanDerWaalsContact O-N 3.09Å; R700-E703 PolarHBondContact O-N 2.89Å; E703-N705 VanDerWaalsContact C-N 3.33Å; E703-N705 PolarHBondContact O-N 3.34Å; E703-L706 PolarHBondContact O-N 3.24Å; E703-K707 WeakPolarHBondContact O-CG 3.24Å; E703-K707 PolarHBondContact O-N 3.27Å; E703-K707 VanDerWaalsContact O-N 3.16Å; E703-K707 IonicContact OE1-NZ 3.66Å; E703-A713 HydrophobicContact CG-CB 4Å; E703-T764 PolarHBondContact OE1-OG1 2.8Å
704	T	97.9	Very high	98.1	Very high	23 Å²	23	12.3 Å²	12.3	14%	0.141	7%	0.065	C	C	.	.	H	α-helix	trans	-58.6	-44.9	175.9	-60.8	0	0	0	0	111.6	D219 R700 I701 H702 L706 K707 K708	D219-T704 WeakPolarHBondContact OD1-CG2 3.13Å; R700-T704 PolarHBondContact O-N 3.41Å; R700-T704 PolarHBondContact O-OG1 3.02Å; I701-T704 PolarHBondContact O-N 2.72Å; H702-T704 PolarHBondContact O-N 3.34Å; T704-L706 PolarHBondContact O-N 3.09Å; T704-K707 PolarHBondContact O-N 3.01Å; T704-K708 HydrophobicContact CG2-CG 4.24Å; T704-K708 WeakPolarHBondContact O-CB 3.35Å; T704-K708 WeakPolarHBondContact O-CG 3.39Å; T704-K708 PolarHBondContact O-N 2.98Å
705	N	98.4	Very high	98.1	Very high	1 Å²	1	13.7 Å²	13.7	1%	0.005	7%	0.074	C	C	.	.	H	α-helix	trans	-61	-42.8	179.3	-70.4	-16.5	0	0	0	112	G216 S677 A682 I701 H702 E703 K707 K708 Q709	G216-N705 WeakPolarHBondContact CA-OD1 3.3Å; S677-N705 PolarHBondContact O-ND2 3.12Å; S677-N705 VanDerWaalsContact O-ND2 3.09Å; A682-N705 VanDerWaalsContact CB-C 3.47Å; A682-N705 HydrophobicContact CB-CB 3.78Å; A682-N705 WeakPolarHBondContact CB-O 3.47Å; I701-N705 PolarHBondContact O-N 2.76Å; I701-N705 PolarHBondContact O-ND2 3.05Å; H702-N705 PolarHBondContact O-N 3.36Å; E703-N705 VanDerWaalsContact C-N 3.33Å; E703-N705 PolarHBondContact O-N 3.34Å; N705-K707 PolarHBondContact O-N 3.14Å; N705-K708 PolarHBondContact O-N 2.82Å; N705-Q709 WeakPolarHBondContact O-CG 3.33Å; N705-Q709 PolarHBondContact O-N 3.01Å; N705-Q709 VanDerWaalsContact O-N 3.12Å
706	L	98.8	Very high	98.1	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-59	-47.5	176.4	-70.5	171	0	0	0	111.3	A682 V693 F698 H702 E703 T704 K708 Q709 G710 I711 A713	A682-L706 HydrophobicContact CB-CD2 3.88Å; A682-L706 HydrophobicContact CB-CG 4.29Å; V693-L706 HydrophobicContact CB-CD1 4.08Å; V693-L706 HydrophobicContact CG1-CD1 4.36Å; V693-L706 HydrophobicContact CG2-CD1 4.23Å; V693-L706 HydrophobicContact CG2-CD2 4.1Å; F698-L706 HydrophobicContact CD1-CD1 4.18Å; F698-L706 HydrophobicContact CE1-CD1 3.52Å; F698-L706 HydrophobicContact CZ-CD1 4.14Å; H702-L706 WeakPolarHBondContact O-CG 3.49Å; H702-L706 PolarHBondContact O-N 3.35Å; E703-L706 PolarHBondContact O-N 3.24Å; T704-L706 PolarHBondContact O-N 3.09Å; L706-K708 PolarHBondContact O-N 2.86Å; L706-Q709 CarbonylContact O-C 3.57Å; L706-Q709 PolarHBondContact O-N 2.79Å; L706-G710 PolarHBondContact O-N 3.2Å; L706-I711 HydrophobicContact CB-CB 4.26Å; L706-I711 HydrophobicContact CB-CG2 4.48Å; L706-I711 HydrophobicContact CD2-CB 4.18Å; L706-I711 HydrophobicContact CD2-CD1 3.83Å; L706-I711 HydrophobicContact CD2-CG2 4.05Å; L706-I711 PolarHBondContact O-N 3.12Å; L706-A713 HydrophobicContact CB-CB 4.05Å; L706-A713 HydrophobicContact CD1-CB 4.08Å
707	K	98.5	Very high	98.1	Very high	2 Å²	2	14 Å²	14	1%	0.009	8%	0.081	C	C	.	.	H	α-helix	trans	-60.6	-45.3	177.4	-62.7	173.4	173.6	179.6	0	112	Y95 E703 T704 N705 Q709 G710 A713 T764 F765 W772	Y95-K707 PolarHBondContact OH-NZ 3.22Å; E703-K707 WeakPolarHBondContact O-CG 3.24Å; E703-K707 PolarHBondContact O-N 3.27Å; E703-K707 VanDerWaalsContact O-N 3.16Å; E703-K707 IonicContact OE1-NZ 3.66Å; T704-K707 PolarHBondContact O-N 3.01Å; N705-K707 PolarHBondContact O-N 3.14Å; K707-Q709 PolarHBondContact O-N 3.29Å; K707-G710 PolarHBondContact O-N 3.16Å; K707-A713 HydrophobicContact CG-CB 4.38Å; K707-T764 PolarHBondContact NZ-O 3.35Å; K707-T764 PolarHBondContact NZ-OG1 3.35Å; K707-F765 HydrophobicContact CB-CE1 3.93Å; K707-F765 HydrophobicContact CB-CZ 4.24Å; K707-F765 HydrophobicContact CD-CD1 4.38Å; K707-F765 HydrophobicContact CD-CE1 4.25Å; K707-F765 HydrophobicContact CD-CZ 4.4Å; K707-F765 HydrophobicContact CG-CD1 4.24Å; K707-F765 HydrophobicContact CG-CE1 3.63Å; K707-F765 HydrophobicContact CG-CE2 4.14Å; K707-F765 HydrophobicContact CG-CZ 3.58Å; K707-W772 HydrophobicContact CB-CE3 4.33Å
708	K	97.8	Very high	98.1	Very high	1 Å²	1	16 Å²	16	0%	0.004	9%	0.089	C	C	.	.	H	α-helix	trans	-57.6	-33.7	177.3	-78.4	-69.6	-168	-175.4	0	112.3	A218 D219 D222 T704 N705 L706 G710 W772 S777 A778	A218-K708 HydrophobicContact CB-CB 3.96Å; A218-K708 HydrophobicContact CB-CD 3.96Å; A218-K708 HydrophobicContact CB-CG 3.95Å; D219-K708 WeakPolarHBondContact OD1-CE 3.39Å; D222-K708 IonicContact OD1-NZ 2.78Å; D222-K708 PolarHBondContact OD1-NZ 2.76Å; D222-K708 WeakPolarHBondContact OD2-CE 3.45Å; D222-K708 IonicContact OD2-NZ 3.12Å; D222-K708 PolarHBondContact OD2-NZ 3.32Å; T704-K708 HydrophobicContact CG2-CG 4.24Å; T704-K708 WeakPolarHBondContact O-CB 3.35Å; T704-K708 WeakPolarHBondContact O-CG 3.39Å; T704-K708 PolarHBondContact O-N 2.98Å; N705-K708 PolarHBondContact O-N 2.82Å; L706-K708 PolarHBondContact O-N 2.86Å; K708-G710 VanDerWaalsContact C-N 3.35Å; K708-W772 HydrophobicContact CD-CD2 4.33Å; K708-W772 HydrophobicContact CD-CE3 3.83Å; K708-W772 HydrophobicContact CD-CH2 3.89Å; K708-W772 HydrophobicContact CD-CZ2 4.35Å; K708-W772 HydrophobicContact CD-CZ3 3.57Å; K708-W772 VanDerWaalsContact CE-CH2 3.44Å; K708-W772 HydrophobicContact CG-CE3 4.29Å; K708-W772 HydrophobicContact CG-CZ3 3.97Å; K708-W772 VanDerWaalsContact NZ-CZ2 3.3Å; K708-S777 CarbonylContact O-C 3.59Å; K708-S777 WeakPolarHBondContact O-CA 3.41Å; K708-S777 WeakPolarHBondContact O-CB 3.22Å; K708-A778 HydrophobicContact CB-CB 4.46Å; K708-A778 HydrophobicContact CD-CB 3.35Å; K708-A778 HydrophobicContact CG-CB 4.5Å; K708-A778 PolarHBondContact O-N 2.77Å
709	Q	98	Very high	98.1	Very high	4 Å²	4	18.3 Å²	18.3	2%	0.019	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	9.5	178.3	-52.5	-47.9	-30.4	0	0	114	A682 L683 R686 N705 L706 K707 I711	A682-Q709 HydrophobicContact CB-CB 4.45Å; A682-Q709 HydrophobicContact CB-CG 3.96Å; L683-Q709 HydrophobicContact CD2-CG 3.83Å; L683-Q709 HydrophobicContact CG-CG 4.04Å; R686-Q709 HydrophobicContact CB-CB 4.26Å; R686-Q709 WeakPolarHBondContact CD-O 3.41Å; R686-Q709 HydrophobicContact CG-CB 4.4Å; R686-Q709 VanDerWaalsContact CG-O 3.27Å; R686-Q709 WeakPolarHBondContact CG-O 3.45Å; R686-Q709 PolarHBondContact NE-O 3.36Å; R686-Q709 VanDerWaalsContact NE-O 3.14Å; N705-Q709 WeakPolarHBondContact O-CG 3.33Å; N705-Q709 PolarHBondContact O-N 3.01Å; N705-Q709 VanDerWaalsContact O-N 3.12Å; L706-Q709 CarbonylContact O-C 3.57Å; L706-Q709 PolarHBondContact O-N 2.79Å; K707-Q709 PolarHBondContact O-N 3.29Å; Q709-I711 VanDerWaalsContact C-N 3.31Å; Q709-I711 PolarHBondContact O-N 3.06Å
710	G	97.8	Very high	98.2	Very high	7 Å²	7	20.8 Å²	20.8	7%	0.072	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.7	20.2	177.2	0	0	0	0	0	114.5	L706 K707 K708	L706-G710 PolarHBondContact O-N 3.2Å; K707-G710 PolarHBondContact O-N 3.16Å; K708-G710 VanDerWaalsContact C-N 3.35Å
711	I	98.6	Very high	98.3	Very high	2 Å²	2	19.5 Å²	19.5	1%	0.01	12%	0.122	C	C	.	.			trans	-87.9	136.6	169.3	-63.5	-179.9	0	0	0	108.9	A682 P685 R686 V693 L706 Q709 A713	A682-I711 WeakPolarHBondContact O-CD1 3.49Å; P685-I711 HydrophobicContact CB-CD1 3.69Å; R686-I711 HydrophobicContact CB-CD1 3.87Å; R686-I711 HydrophobicContact CB-CG1 4.06Å; V693-I711 HydrophobicContact CG2-CG2 4.15Å; L706-I711 HydrophobicContact CB-CB 4.26Å; L706-I711 HydrophobicContact CB-CG2 4.48Å; L706-I711 HydrophobicContact CD2-CB 4.18Å; L706-I711 HydrophobicContact CD2-CD1 3.83Å; L706-I711 HydrophobicContact CD2-CG2 4.05Å; L706-I711 PolarHBondContact O-N 3.12Å; Q709-I711 VanDerWaalsContact C-N 3.31Å; Q709-I711 PolarHBondContact O-N 3.06Å; I711-A713 PolarHBondContact O-N 3.48Å; I711-A713 VanDerWaalsContact O-N 3.14Å
712	L	98.8	Very high	98.3	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	106.5	170.9	-69.5	172.8	0	0	0	110	M586 K691 A692 V693 L714 L733 L736 L739 F765 F773	M586-L712 HydrophobicContact CE-CD1 4.38Å; M586-L712 HydrophobicContact SD-CD1 4.27Å; K691-L712 PolarHBondContact O-N 3.44Å; K691-L712 VanDerWaalsContact O-N 3.12Å; A692-L712 VanDerWaalsContact CA-O 3.29Å; A692-L712 WeakPolarHBondContact CA-O 3.45Å; A692-L712 HydrophobicContact CB-CB 3.88Å; V693-L712 PolarHBondContact N-O 2.7Å; L712-L714 HydrophobicContact CB-CD1 4.2Å; L712-L714 HydrophobicContact CB-CD2 4.4Å; L712-L714 HydrophobicContact CB-CG 4.05Å; L712-L714 PolarHBondContact O-N 2.78Å; L712-L733 HydrophobicContact CD1-CD1 3.97Å; L712-L736 HydrophobicContact CD1-CD1 4.18Å; L712-L736 HydrophobicContact CD1-CD2 3.89Å; L712-L739 HydrophobicContact CD2-CD2 4.36Å; L712-F765 HydrophobicContact CD2-CE2 4.28Å; L712-F765 HydrophobicContact CD2-CZ 4.17Å; L712-F773 HydrophobicContact CD1-CE2 4.04Å; L712-F773 HydrophobicContact CD1-CZ 4.21Å; L712-F773 HydrophobicContact CD2-CD1 4.4Å; L712-F773 HydrophobicContact CD2-CD2 3.77Å; L712-F773 HydrophobicContact CD2-CE1 4.46Å; L712-F773 HydrophobicContact CD2-CE2 3.84Å; L712-F773 HydrophobicContact CD2-CG 4.07Å; L712-F773 HydrophobicContact CD2-CZ 4.2Å; L712-F773 HydrophobicContact CG-CD2 3.99Å; L712-F773 HydrophobicContact CG-CE2 3.72Å; L712-F773 HydrophobicContact CG-CZ 4.29Å
713	A	98.7	Very high	98.3	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	103.8	169.6	0	0	0	0	0	109	F698 E703 L706 K707 I711	F698-A713 HydrophobicContact CE1-CB 4.44Å; F698-A713 HydrophobicContact CE2-CB 3.87Å; F698-A713 HydrophobicContact CZ-CB 3.82Å; E703-A713 HydrophobicContact CG-CB 4Å; L706-A713 HydrophobicContact CB-CB 4.05Å; L706-A713 HydrophobicContact CD1-CB 4.08Å; K707-A713 HydrophobicContact CG-CB 4.38Å; I711-A713 PolarHBondContact O-N 3.48Å; I711-A713 VanDerWaalsContact O-N 3.14Å
714	L	98.9	Very high	98.3	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	145	-172.7	-60.5	178.6	0	0	0	110.6	A692 V693 I694 V695 F698 L712 L733 V745 L761 N762 H763	A692-L714 HydrophobicContact CB-CD1 4.44Å; V693-L714 PolarHBondContact O-N 3.46Å; I694-L714 WeakPolarHBondContact CA-O 3.36Å; I694-L714 HydrophobicContact CG1-CB 4.19Å; I694-L714 HydrophobicContact CG1-CD1 4.33Å; V695-L714 PolarHBondContact N-O 2.79Å; F698-L714 WeakPolarHBondContact CE2-O 3.39Å; L712-L714 HydrophobicContact CB-CD1 4.2Å; L712-L714 HydrophobicContact CB-CD2 4.4Å; L712-L714 HydrophobicContact CB-CG 4.05Å; L712-L714 PolarHBondContact O-N 2.78Å; L714-L733 HydrophobicContact CD1-CD1 3.98Å; L714-L733 HydrophobicContact CD1-CD2 4.12Å; L714-V745 HydrophobicContact CD2-CG2 4.23Å; L714-L761 HydrophobicContact CB-CB 4.17Å; L714-L761 HydrophobicContact CB-CD1 4.19Å; L714-L761 HydrophobicContact CD1-CB 4.38Å; L714-L761 HydrophobicContact CD1-CD1 3.7Å; L714-N762 WeakPolarHBondContact CA-O 3.44Å; L714-H763 HydrophobicContact CD2-CB 3.84Å
715	T	98.8	Very high	98.3	Very high	28 Å²	28	23.8 Å²	23.8	17%	0.172	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	147.2	172.8	55.9	0	0	0	0	111.6	V695 F698 S717 L761 N762	V695-T715 HydrophobicContact CG2-CG2 4.12Å; V695-T715 CarbonylContact O-C 3.5Å; V695-T715 WeakPolarHBondContact O-CA 3.5Å; F698-T715 HydrophobicContact CD2-CG2 3.69Å; F698-T715 HydrophobicContact CE2-CG2 3.82Å; T715-S717 PolarHBondContact O-N 3.31Å; T715-L761 CarbonylContact O-C 3.47Å; T715-L761 WeakPolarHBondContact O-CA 3.28Å; T715-N762 PolarHBondContact N-O 3.09Å; T715-N762 PolarHBondContact O-N 2.7Å
716	F	98.8	Very high	98.3	Very high	6 Å²	6	28.1 Å²	28.1	3%	0.026	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	134.7	173.3	-63.7	-83.2	0	0	0	110.7	F667 I694 V695 K696 D718 D721 Y722 V725 I759 L761	F667-F716 HydrophobicContact CD1-CE1 4.29Å; F667-F716 HydrophobicContact CD1-CE2 4.39Å; F667-F716 AromaticContact CD1-CZ 3.57Å; F667-F716 HydrophobicContact CD1-CZ 3.57Å; F667-F716 HydrophobicContact CE1-CE1 4.25Å; F667-F716 AromaticContact CE1-CZ 3.99Å; F667-F716 HydrophobicContact CE1-CZ 3.99Å; I694-F716 HydrophobicContact CG2-CD1 4.36Å; I694-F716 HydrophobicContact CG2-CD2 4.45Å; I694-F716 HydrophobicContact CG2-CE1 4.01Å; I694-F716 HydrophobicContact CG2-CE2 4.06Å; I694-F716 HydrophobicContact CG2-CZ 3.86Å; V695-F716 VanDerWaalsContact C-CD2 3.46Å; V695-F716 VanDerWaalsContact O-CD2 3.24Å; V695-F716 WeakPolarHBondContact O-CD2 3.3Å; V695-F716 PolarHBondContact O-N 3.21Å; K696-F716 HydrophobicContact CG-CD2 4.33Å; F716-D718 VanDerWaalsContact C-N 3.29Å; F716-D718 WeakPolarHBondContact CB-O 3.27Å; F716-D721 HydrophobicContact CD1-CB 3.75Å; F716-D721 HydrophobicContact CE1-CB 4.22Å; F716-Y722 AromaticContact CE2-CD2 3.87Å; F716-Y722 HydrophobicContact CE2-CD2 3.87Å; F716-Y722 HydrophobicContact CE2-CG 4.4Å; F716-Y722 HydrophobicContact CZ-CD2 4.1Å; F716-V725 HydrophobicContact CE1-CG2 4.21Å; F716-V725 HydrophobicContact CZ-CG2 4.25Å; F716-I759 HydrophobicContact CD1-CD1 3.95Å; F716-I759 HydrophobicContact CE1-CD1 3.73Å; F716-L761 HydrophobicContact CD1-CD2 3.81Å; F716-L761 HydrophobicContact CE1-CD2 4.34Å; F716-L761 HydrophobicContact CG-CD2 4.34Å
717	S	98.5	Very high	98.2	Very high	47 Å²	47	29.4 Å²	29.4	33%	0.329	18%	0.177	S	C	.	.	S	Bend	trans	-66.9	-35.3	169.4	-61.5	0	0	0	0	111.3	T715 L760 N762	T715-S717 PolarHBondContact O-N 3.31Å; S717-L760 VanDerWaalsContact CB-O 3.31Å; S717-L760 WeakPolarHBondContact CB-O 3.27Å; S717-L760 PolarHBondContact N-O 2.94Å; S717-L760 VanDerWaalsContact OG-C 3.27Å; S717-L760 WeakPolarHBondContact OG-CB 3.44Å; S717-L760 PolarHBondContact OG-O 3.4Å; S717-L760 VanDerWaalsContact OG-O 3.09Å; S717-N762 WeakPolarHBondContact CA-ND2 3.38Å; S717-N762 VanDerWaalsContact OG-CG 3.3Å; S717-N762 PolarHBondContact OG-OD1 3.46Å
718	D	98.3	Very high	98.1	Very high	82 Å²	82	31.1 Å²	31.1	44%	0.439	19%	0.192	S	C	.	.	S	Bend	trans	-117.8	112.3	165.6	-178.3	-5.6	0	0	0	109.7	F716 A720 D721	F716-D718 VanDerWaalsContact C-N 3.29Å; F716-D718 WeakPolarHBondContact CB-O 3.27Å; D718-A720 PolarHBondContact O-N 3.07Å; D718-A720 VanDerWaalsContact OD1-CB 3.29Å; D718-A720 WeakPolarHBondContact OD1-CB 3.19Å; D718-A720 PolarHBondContact OD1-N 3.32Å; D718-D721 VanDerWaalsContact O-CB 3.26Å; D718-D721 WeakPolarHBondContact O-CB 3.43Å; D718-D721 PolarHBondContact O-N 3.44Å
719	P	97.7	Very high	98.1	Very high	63 Å²	63	31.1 Å²	31.1	41%	0.409	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-54.4	-21.7	177.4	-26.8	35.6	0	0	0	115.2	K696 D721 Y722	K696-P719 HydrophobicContact CB-CB 4.47Å; K696-P719 HydrophobicContact CD-CB 4.36Å; K696-P719 HydrophobicContact CG-CB 4.13Å; P719-D721 PolarHBondContact O-N 3.07Å; P719-Y722 WeakPolarHBondContact O-CB 3.4Å; P719-Y722 PolarHBondContact O-N 3.39Å
720	A	98	Very high	98.2	Very high	64 Å²	64	32.9 Å²	32.9	53%	0.529	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-67.6	-23.4	174.7	0	0	0	0	0	112.9	D718 Y722 A723	D718-A720 PolarHBondContact O-N 3.07Å; D718-A720 VanDerWaalsContact OD1-CB 3.29Å; D718-A720 WeakPolarHBondContact OD1-CB 3.19Å; D718-A720 PolarHBondContact OD1-N 3.32Å; A720-Y722 PolarHBondContact O-N 3.2Å; A720-Y722 VanDerWaalsContact O-N 3.14Å; A720-A723 WeakPolarHBondContact O-CB 3.44Å; A720-A723 PolarHBondContact O-N 3.27Å
721	D	98.4	Very high	98.2	Very high	14 Å²	14	32.6 Å²	32.6	8%	0.075	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-62.7	-19.5	177.1	-75.6	-22.6	0	0	0	112.9	F716 D718 P719 A723 K724 I759	F716-D721 HydrophobicContact CD1-CB 3.75Å; F716-D721 HydrophobicContact CE1-CB 4.22Å; D718-D721 VanDerWaalsContact O-CB 3.26Å; D718-D721 WeakPolarHBondContact O-CB 3.43Å; D718-D721 PolarHBondContact O-N 3.44Å; P719-D721 PolarHBondContact O-N 3.07Å; D721-A723 PolarHBondContact O-N 2.91Å; D721-A723 VanDerWaalsContact O-N 3.13Å; D721-K724 HydrophobicContact CB-CD 4.46Å; D721-K724 WeakPolarHBondContact O-CB 3.28Å; D721-K724 PolarHBondContact O-N 2.92Å; D721-K724 WeakPolarHBondContact OD1-CD 3.49Å; D721-K724 WeakPolarHBondContact OD1-CE 3.49Å; D721-K724 IonicContact OD1-NZ 2.97Å; D721-K724 PolarHBondContact OD1-NZ 3.16Å; D721-I759 HydrophobicContact CB-CB 4.35Å; D721-I759 HydrophobicContact CB-CG2 3.92Å
722	Y	98.1	Very high	98.2	Very high	12 Å²	12	33.1 Å²	33.1	5%	0.047	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-53.1	-32.8	170	178.2	-87.7	0	0	0	112.2	K594 I595 F667 E669 F716 P719 A720 K724	K594-Y722 WeakPolarHBondContact CE-O 3.15Å; K594-Y722 HydrophobicContact CG-CE2 4.11Å; K594-Y722 WeakPolarHBondContact CG-OH 3.37Å; K594-Y722 PolarHBondContact NZ-O 3.15Å; I595-Y722 PolarHBondContact O-OH 2.88Å; F667-Y722 HydrophobicContact CB-CE2 4.34Å; E669-Y722 HydrophobicContact CG-CE1 4.23Å; E669-Y722 HydrophobicContact CG-CE2 4.01Å; F716-Y722 AromaticContact CE2-CD2 3.87Å; F716-Y722 HydrophobicContact CE2-CD2 3.87Å; F716-Y722 HydrophobicContact CE2-CG 4.4Å; F716-Y722 HydrophobicContact CZ-CD2 4.1Å; P719-Y722 WeakPolarHBondContact O-CB 3.4Å; P719-Y722 PolarHBondContact O-N 3.39Å; A720-Y722 PolarHBondContact O-N 3.2Å; A720-Y722 VanDerWaalsContact O-N 3.14Å; Y722-K724 VanDerWaalsContact C-N 3.33Å; Y722-K724 PolarHBondContact O-N 3.11Å
723	A	97.3	Very high	98.2	Very high	83 Å²	83	33.1 Å²	33.1	69%	0.686	20%	0.201	S	C	*	.	G	3₁₀ helix	trans	-72	-24	178.7	0	0	0	0	0	113.5	A720 D721 V725	A720-A723 WeakPolarHBondContact O-CB 3.44Å; A720-A723 PolarHBondContact O-N 3.27Å; D721-A723 PolarHBondContact O-N 2.91Å; D721-A723 VanDerWaalsContact O-N 3.13Å; A723-V725 VanDerWaalsContact C-N 3.33Å
724	K	98	Very high	98.2	Very high	81 Å²	81	34.7 Å²	34.7	35%	0.352	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-29	178.3	-62.6	177.4	178.4	166.3	0	112.5	D721 Y722 R726 L749 I759	D721-K724 HydrophobicContact CB-CD 4.46Å; D721-K724 WeakPolarHBondContact O-CB 3.28Å; D721-K724 PolarHBondContact O-N 2.92Å; D721-K724 WeakPolarHBondContact OD1-CD 3.49Å; D721-K724 WeakPolarHBondContact OD1-CE 3.49Å; D721-K724 IonicContact OD1-NZ 2.97Å; D721-K724 PolarHBondContact OD1-NZ 3.16Å; Y722-K724 VanDerWaalsContact C-N 3.33Å; Y722-K724 PolarHBondContact O-N 3.11Å; K724-R726 PolarHBondContact O-N 2.8Å; K724-L749 HydrophobicContact CB-CD1 4.26Å; K724-I759 HydrophobicContact CD-CG2 4.08Å
725	V	98.1	Very high	98.1	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.012	22%	0.224	C	C	.	.			trans	-67.5	122.2	-178.6	-177	0	0	0	0	110.6	K594 F667 F716 A723 L749	K594-V725 HydrophobicContact CD-CB 4.16Å; K594-V725 HydrophobicContact CD-CG1 4.02Å; K594-V725 WeakPolarHBondContact CE-O 3.29Å; K594-V725 PolarHBondContact NZ-O 3.41Å; F667-V725 HydrophobicContact CD1-CG1 4.2Å; F667-V725 HydrophobicContact CD1-CG2 3.89Å; F667-V725 HydrophobicContact CD2-CG1 3.51Å; F667-V725 HydrophobicContact CE1-CG1 4.16Å; F667-V725 HydrophobicContact CE1-CG2 3.65Å; F667-V725 HydrophobicContact CE2-CG1 3.47Å; F667-V725 VanDerWaalsContact CE2-CG1 3.47Å; F667-V725 HydrophobicContact CE2-CG2 4.44Å; F667-V725 HydrophobicContact CG-CG1 3.86Å; F667-V725 HydrophobicContact CG-CG2 4.35Å; F667-V725 HydrophobicContact CZ-CG1 3.8Å; F667-V725 HydrophobicContact CZ-CG2 3.95Å; F716-V725 HydrophobicContact CE1-CG2 4.21Å; F716-V725 HydrophobicContact CZ-CG2 4.25Å; A723-V725 VanDerWaalsContact C-N 3.33Å; V725-L749 HydrophobicContact CB-CD1 4.46Å; V725-L749 HydrophobicContact CG2-CD1 3.83Å; V725-L749 HydrophobicContact CG2-CD2 4.31Å
726	R	97.6	Very high	98	Very high	92 Å²	92	34.6 Å²	34.6	35%	0.347	22%	0.216	S	C	.	.			trans	-102	142.1	171.1	-45	178.1	-172.6	171.4	6.1	109.8	K724 A728 D729 D752 D753	K724-R726 PolarHBondContact O-N 2.8Å; R726-A728 PolarHBondContact O-N 3.39Å; R726-D729 WeakPolarHBondContact CB-OD1 3.33Å; R726-D729 PolarHBondContact N-OD2 2.84Å; R726-D729 WeakPolarHBondContact O-CB 3.47Å; R726-D729 VanDerWaalsContact O-CG 3.26Å; R726-D729 PolarHBondContact O-N 3.33Å; R726-D752 IonicContact NH1-OD1 2.7Å; R726-D753 IonicContact CZ-OD2 3.73Å; R726-D753 IonicContact NH1-OD2 3.93Å; R726-D753 PolarHBondContact NH1-OD2 3.41Å; R726-D753 IonicContact NH2-OD2 3.92Å
727	P	96.8	Very high	97.9	Very high	27 Å²	27	39.6 Å²	39.6	18%	0.175	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-17.5	179.7	-28.5	36.7	0	0	0	116	E632 R642	E632-P727 HydrophobicContact CB-CB 4.21Å; E632-P727 HydrophobicContact CB-CG 3.93Å; E632-P727 HydrophobicContact CG-CB 4.11Å; E632-P727 HydrophobicContact CG-CG 4.03Å; R642-P727 PolarHBondContact NE-O 3.09Å; R642-P727 VanDerWaalsContact NE-O 3.1Å; R642-P727 VanDerWaalsContact NH2-C 3.28Å; R642-P727 VanDerWaalsContact NH2-CB 3.25Å; R642-P727 PolarHBondContact NH2-O 3.32Å
728	A	97.3	Very high	97.7	Very high	39 Å²	39	42 Å²	42	32%	0.322	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-2.7	178.6	0	0	0	0	0	113.9	R726	R726-A728 PolarHBondContact O-N 3.39Å
729	D	98.4	Very high	97.7	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	22%	0.224	C	C	.	.			trans	-63.2	150.1	-176.6	-68.4	-15.7	0	0	0	112.3	R726 K750 H751	R726-D729 WeakPolarHBondContact CB-OD1 3.33Å; R726-D729 PolarHBondContact N-OD2 2.84Å; R726-D729 WeakPolarHBondContact O-CB 3.47Å; R726-D729 VanDerWaalsContact O-CG 3.26Å; R726-D729 PolarHBondContact O-N 3.33Å; D729-K750 WeakPolarHBondContact CA-O 3.44Å; D729-H751 VanDerWaalsContact CG-ND1 3.29Å; D729-H751 WeakPolarHBondContact OD1-CA 3.49Å; D729-H751 IonicContact OD1-CE1 2.8Å; D729-H751 IonicContact OD1-CG 3.02Å; D729-H751 IonicContact OD1-ND1 3.38Å; D729-H751 PolarHBondContact OD1-ND1 3.41Å; D729-H751 IonicContact OD2-CE1 2.82Å; D729-H751 PolarHBondContact OD2-CE1 3.26Å; D729-H751 IonicContact OD2-ND1 3.83Å; D729-H751 PolarHBondContact OD2-ND1 3.37Å
730	L	98.6	Very high	97.6	Very high	41 Å²	41	38.3 Å²	38.3	22%	0.215	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	129.5	161.4	-65	176.4	0	0	0	109	D588 L590 K750	D588-L730 HydrophobicContact CB-CB 4.38Å; D588-L730 HydrophobicContact CB-CD1 4.22Å; L590-L730 HydrophobicContact CD2-CD2 3.84Å; L730-K750 HydrophobicContact CB-CB 4.24Å; L730-K750 HydrophobicContact CD1-CD 4.38Å; L730-K750 PolarHBondContact N-O 3.1Å; L730-K750 PolarHBondContact O-N 3.27Å
731	V	98.8	Very high	97.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	125.8	-172.9	-176.6	0	0	0	0	109.9	D588 L589 V591 V665 F667 I694 L733 L749	D588-V731 PolarHBondContact N-O 3.21Å; L589-V731 HydrophobicContact CB-CB 4.34Å; L589-V731 VanDerWaalsContact CB-O 3.3Å; L589-V731 WeakPolarHBondContact CB-O 3.45Å; L589-V731 PolarHBondContact N-O 3.31Å; L589-V731 PolarHBondContact O-N 3.19Å; V591-V731 HydrophobicContact CG2-CG2 3.78Å; V665-V731 HydrophobicContact CG2-CB 4.08Å; V665-V731 HydrophobicContact CG2-CG1 4.27Å; V665-V731 HydrophobicContact CG2-CG2 3.83Å; F667-V731 HydrophobicContact CE2-CG2 3.89Å; F667-V731 HydrophobicContact CZ-CG1 4.43Å; F667-V731 HydrophobicContact CZ-CG2 3.94Å; I694-V731 HydrophobicContact CD1-CG1 4.43Å; V731-L733 HydrophobicContact CG1-CD2 4.37Å; V731-L749 HydrophobicContact CG2-CD2 4.01Å
732	S	98.8	Very high	97.3	Very high	13 Å²	13	40.5 Å²	40.5	9%	0.091	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	126.3	171.6	-58	0	0	0	0	111	M586 D588 C747 I748	M586-S732 CarbonylContact O-C 3.51Å; M586-S732 VanDerWaalsContact O-CA 3.25Å; M586-S732 WeakPolarHBondContact O-CA 3.37Å; D588-S732 PolarHBondContact N-OG 2.93Å; D588-S732 VanDerWaalsContact N-OG 3.14Å; S732-C747 CarbonylContact O-C 3.57Å; S732-C747 WeakPolarHBondContact O-CA 3.47Å; S732-I748 PolarHBondContact N-O 3.23Å; S732-I748 PolarHBondContact O-N 3.08Å
733	L	98.7	Very high	97.3	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	112	173.1	-57.8	179.3	0	0	0	108.3	D585 M586 L589 A692 I694 L712 L714 V731 L736 V745 C747 L761	D585-L733 WeakPolarHBondContact CB-O 3.4Å; M586-L733 HydrophobicContact CB-CB 4.44Å; M586-L733 PolarHBondContact N-O 3.5Å; M586-L733 VanDerWaalsContact N-O 3.14Å; M586-L733 PolarHBondContact O-N 2.8Å; L589-L733 HydrophobicContact CD1-CD1 4.44Å; A692-L733 HydrophobicContact CB-CD1 3.65Å; I694-L733 HydrophobicContact CD1-CD2 4.34Å; L712-L733 HydrophobicContact CD1-CD1 3.97Å; L714-L733 HydrophobicContact CD1-CD1 3.98Å; L714-L733 HydrophobicContact CD1-CD2 4.12Å; V731-L733 HydrophobicContact CG1-CD2 4.37Å; L733-L736 HydrophobicContact CB-CD1 4.39Å; L733-L736 HydrophobicContact CB-CD2 4.45Å; L733-V745 HydrophobicContact CB-CG1 4.26Å; L733-V745 HydrophobicContact CD2-CG1 4.4Å; L733-C747 HydrophobicContact CD2-CB 3.92Å; L733-L761 HydrophobicContact CD2-CD1 3.94Å
734	V	98.2	Very high	97.3	Very high	33 Å²	33	43 Å²	43	20%	0.2	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	149.8	-169.6	-57.9	0	0	0	0	112.4	D585 K746 I748	D585-V734 WeakPolarHBondContact OD2-CA 3.38Å; V734-K746 HydrophobicContact CG2-CB 3.66Å; V734-K746 HydrophobicContact CG2-CD 3.8Å; V734-K746 HydrophobicContact CG2-CG 3.66Å; V734-K746 PolarHBondContact N-O 3.03Å; V734-I748 HydrophobicContact CG1-CD1 4.18Å; V734-I748 HydrophobicContact CG2-CD1 4.37Å
735	G	96.3	Very high	97.3	Very high	26 Å²	26	39.4 Å²	39.4	27%	0.268	23%	0.23	S	C	.	.			trans	80.4	28.4	-176.6	0	0	0	0	0	113.8	D585 K737 E738	D585-G735 VanDerWaalsContact CG-N 3.31Å; D585-G735 PolarHBondContact OD1-N 3.18Å; D585-G735 PolarHBondContact OD2-N 2.89Å; D585-G735 VanDerWaalsContact OD2-N 3.13Å; G735-K737 VanDerWaalsContact C-N 3.29Å; G735-K737 PolarHBondContact O-N 3.46Å; G735-E738 VanDerWaalsContact CA-OE2 3.28Å; G735-E738 WeakPolarHBondContact CA-OE2 3.14Å; G735-E738 PolarHBondContact O-N 2.87Å
736	L	97.5	Very high	97.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	25%	0.245	C	C	.	.			trans	-71.8	-24.1	-179.2	-64.1	-176.9	0	0	0	112.5	W581 D585 M586 L712 L733 E738 L739 V745 F773	W581-L736 HydrophobicContact CH2-CB 4.45Å; W581-L736 HydrophobicContact CZ2-CB 3.76Å; D585-L736 PolarHBondContact OD1-N 2.88Å; M586-L736 HydrophobicContact CB-CD1 4.34Å; M586-L736 HydrophobicContact CE-CD1 4.37Å; M586-L736 HydrophobicContact CG-CD1 3.74Å; M586-L736 HydrophobicContact SD-CD1 4.18Å; L712-L736 HydrophobicContact CD1-CD1 4.18Å; L712-L736 HydrophobicContact CD1-CD2 3.89Å; L733-L736 HydrophobicContact CB-CD1 4.39Å; L733-L736 HydrophobicContact CB-CD2 4.45Å; L736-E738 VanDerWaalsContact C-N 3.27Å; L736-E738 PolarHBondContact O-N 3.17Å; L736-L739 VanDerWaalsContact O-CB 3.25Å; L736-L739 WeakPolarHBondContact O-CB 3.47Å; L736-L739 PolarHBondContact O-N 3.5Å; L736-V745 HydrophobicContact CD2-CG1 4.03Å; L736-V745 HydrophobicContact CD2-CG2 4.34Å; L736-F773 HydrophobicContact CD1-CZ 4.43Å
737	K	96.5	Very high	97.4	Very high	111 Å²	111	38.3 Å²	38.3	48%	0.483	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-37.2	172.2	-73.9	179.5	-177.4	168.8	0	112.4	W581 G583 Q584 G735 L739	W581-K737 HydrophobicContact CH2-CG 4Å; W581-K737 HydrophobicContact CZ2-CG 4.44Å; G583-K737 WeakPolarHBondContact O-CE 3.45Å; G583-K737 VanDerWaalsContact O-CG 3.29Å; G583-K737 WeakPolarHBondContact O-CG 3.46Å; Q584-K737 VanDerWaalsContact OE1-CE 3.28Å; G735-K737 VanDerWaalsContact C-N 3.29Å; G735-K737 PolarHBondContact O-N 3.46Å; K737-L739 VanDerWaalsContact C-N 3.33Å
738	E	95.3	Very high	97.5	Very high	99 Å²	99	38.6 Å²	38.6	46%	0.463	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	23.7	-180	-50.3	77.2	-165.2	0	0	112.1	G735 L736 T740 K743	G735-E738 VanDerWaalsContact CA-OE2 3.28Å; G735-E738 WeakPolarHBondContact CA-OE2 3.14Å; G735-E738 PolarHBondContact O-N 2.87Å; L736-E738 VanDerWaalsContact C-N 3.27Å; L736-E738 PolarHBondContact O-N 3.17Å; E738-T740 PolarHBondContact O-N 2.9Å; E738-K743 VanDerWaalsContact CB-NZ 3.32Å; E738-K743 PolarHBondContact O-NZ 3.21Å
739	L	96.9	Very high	97.6	Very high	5 Å²	5	36.8 Å²	36.8	3%	0.026	21%	0.213	C	C	.	.			trans	-63.2	115.5	174.3	-174.1	69.9	0	0	0	109.2	L712 L736 K737 V745 H763 I770 F773	L712-L739 HydrophobicContact CD2-CD2 4.36Å; L736-L739 VanDerWaalsContact O-CB 3.25Å; L736-L739 WeakPolarHBondContact O-CB 3.47Å; L736-L739 PolarHBondContact O-N 3.5Å; K737-L739 VanDerWaalsContact C-N 3.33Å; L739-V745 HydrophobicContact CD1-CG2 3.67Å; L739-H763 WeakPolarHBondContact CD1-NE2 3.36Å; L739-I770 HydrophobicContact CD2-CG1 4.08Å; L739-I770 HydrophobicContact CD2-CG2 4.31Å; L739-I770 HydrophobicContact CG-CD1 4.24Å; L739-I770 HydrophobicContact CG-CG1 4.24Å; L739-F773 HydrophobicContact CD2-CD1 4.14Å; L739-F773 HydrophobicContact CD2-CE1 4.43Å
740	T	97	Very high	97.6	Very high	61 Å²	61	40.6 Å²	40.6	37%	0.374	23%	0.229	S	C	.	.			trans	-136.4	153.6	178.3	55.4	0	0	0	0	109.3	E738 G742 K743 H763	E738-T740 PolarHBondContact O-N 2.9Å; T740-G742 PolarHBondContact O-N 3.12Å; T740-K743 PolarHBondContact O-N 3.49Å; T740-K743 WeakPolarHBondContact OG1-CB 3.34Å; T740-H763 PolarHBondContact O-CE1 3.39Å; T740-H763 PolarHBondContact O-NE2 3.44Å
741	P	96.3	Very high	97.5	Very high	55 Å²	55	38.9 Å²	38.9	36%	0.357	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	134.8	179.7	-26.3	36.1	0	0	0	112.8	K743 E767 I770	P741-K743 PolarHBondContact O-N 2.91Å; P741-E767 WeakPolarHBondContact CD-OE1 3.36Å; P741-E767 HydrophobicContact CG-CG 3.96Å; P741-E767 WeakPolarHBondContact CG-OE1 3.25Å; P741-I770 HydrophobicContact CG-CD1 4.17Å
742	G	93.5	Very high	97.3	Very high	70 Å²	70	44.7 Å²	44.7	72%	0.722	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.3	-4.8	176.8	0	0	0	0	0	116.1	T740 P744	T740-G742 PolarHBondContact O-N 3.12Å; G742-P744 WeakPolarHBondContact O-CD 3.19Å
743	K	96.7	Very high	97.2	Very high	96 Å²	96	48.8 Å²	48.8	42%	0.417	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-91.4	116.3	176.7	-175.3	-175.2	172.6	-167.5	0	110.1	E738 T740 P741 H763	E738-K743 VanDerWaalsContact CB-NZ 3.32Å; E738-K743 PolarHBondContact O-NZ 3.21Å; T740-K743 PolarHBondContact O-N 3.49Å; T740-K743 WeakPolarHBondContact OG1-CB 3.34Å; P741-K743 PolarHBondContact O-N 2.91Å; K743-H763 PolarHBondContact O-CD2 2.77Å; K743-H763 PolarHBondContact O-NE2 3.05Å
744	P	98	Very high	97	Very high	51 Å²	51	51.2 Å²	51.2	33%	0.331	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-60.2	146.2	179.5	-23.8	34.6	0	0	0	112.9	G742 L760 L761	G742-P744 WeakPolarHBondContact O-CD 3.19Å; P744-L760 HydrophobicContact CB-CB 4.3Å; P744-L761 CarbonylContact C-O 3.48Å; P744-L761 VanDerWaalsContact CA-O 3.25Å; P744-L761 WeakPolarHBondContact CA-O 3.46Å; P744-L761 WeakPolarHBondContact CB-O 3.24Å
745	V	98.5	Very high	97	Very high	5 Å²	5	52.2 Å²	52.2	3%	0.03	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	132.2	171.4	176.1	0	0	0	0	108.7	L714 L733 L736 L739 L761	L714-V745 HydrophobicContact CD2-CG2 4.23Å; L733-V745 HydrophobicContact CB-CG1 4.26Å; L733-V745 HydrophobicContact CD2-CG1 4.4Å; L736-V745 HydrophobicContact CD2-CG1 4.03Å; L736-V745 HydrophobicContact CD2-CG2 4.34Å; L739-V745 HydrophobicContact CD1-CG2 3.67Å; V745-L761 PolarHBondContact N-O 3.39Å; V745-L761 PolarHBondContact O-N 3.38Å
746	K	98.6	Very high	97.1	Very high	71 Å²	71	57.4 Å²	57.4	31%	0.309	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	131.2	173.9	176.2	176.5	175.3	171.5	0	109.5	V734 E758 L760	V734-K746 HydrophobicContact CG2-CB 3.66Å; V734-K746 HydrophobicContact CG2-CD 3.8Å; V734-K746 HydrophobicContact CG2-CG 3.66Å; V734-K746 PolarHBondContact N-O 3.03Å; K746-E758 VanDerWaalsContact CE-OE1 3.25Å; K746-E758 WeakPolarHBondContact CE-OE1 3.48Å; K746-E758 WeakPolarHBondContact CE-OE2 3.24Å; K746-E758 IonicContact NZ-OE1 3.46Å; K746-E758 PolarHBondContact NZ-OE1 2.68Å; K746-E758 IonicContact NZ-OE2 3.76Å; K746-E758 PolarHBondContact NZ-OE2 3.38Å; K746-L760 HydrophobicContact CB-CD2 4.39Å
747	C	98.8	Very high	97.1	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	129.1	177	172.4	0	0	0	0	109.8	S732 L733 E758 I759 L761	S732-C747 CarbonylContact O-C 3.57Å; S732-C747 WeakPolarHBondContact O-CA 3.47Å; L733-C747 HydrophobicContact CD2-CB 3.92Å; C747-E758 WeakPolarHBondContact O-CA 3.41Å; C747-I759 HydrophobicContact CB-CD1 4.28Å; C747-I759 HydrophobicContact CB-CG1 3.66Å; C747-I759 PolarHBondContact N-O 2.71Å; C747-I759 PolarHBondContact O-N 2.88Å; C747-L761 HydrophobicContact CB-CD1 3.55Å; C747-L761 HydrophobicContact CB-CG 3.85Å
748	I	98.8	Very high	97.2	Very high	34 Å²	34	60.2 Å²	60.2	17%	0.174	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	119.4	176.3	-55.4	171.8	0	0	0	107.6	S732 V734 K756 E758	S732-I748 PolarHBondContact N-O 3.23Å; S732-I748 PolarHBondContact O-N 3.08Å; V734-I748 HydrophobicContact CG1-CD1 4.18Å; V734-I748 HydrophobicContact CG2-CD1 4.37Å; I748-K756 HydrophobicContact CG2-CB 4.44Å; I748-K756 HydrophobicContact CG2-CD 4.16Å; I748-E758 HydrophobicContact CG1-CG 4.46Å
749	L	98.7	Very high	97.4	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	114.4	171.1	-56.5	175.6	0	0	0	107.6	F667 K724 V725 V731 K756 D757 I759	F667-L749 HydrophobicContact CZ-CD2 4.06Å; K724-L749 HydrophobicContact CB-CD1 4.26Å; V725-L749 HydrophobicContact CB-CD1 4.46Å; V725-L749 HydrophobicContact CG2-CD1 3.83Å; V725-L749 HydrophobicContact CG2-CD2 4.31Å; V731-L749 HydrophobicContact CG2-CD2 4.01Å; L749-K756 CarbonylContact O-C 3.51Å; L749-K756 WeakPolarHBondContact O-CA 3.2Å; L749-D757 HydrophobicContact CB-CB 4.24Å; L749-D757 HydrophobicContact CD1-CB 4.24Å; L749-D757 PolarHBondContact N-O 3.37Å; L749-D757 PolarHBondContact O-N 3.48Å; L749-I759 HydrophobicContact CD1-CD1 4.22Å; L749-I759 HydrophobicContact CG-CD1 4.46Å
750	K	98.6	Very high	97.5	Very high	81 Å²	81	59.8 Å²	59.8	35%	0.352	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	111.4	174.4	177.3	-176.2	174.7	-171.8	0	108.7	D729 L730 K756	D729-K750 WeakPolarHBondContact CA-O 3.44Å; L730-K750 HydrophobicContact CB-CB 4.24Å; L730-K750 HydrophobicContact CD1-CD 4.38Å; L730-K750 PolarHBondContact N-O 3.1Å; L730-K750 PolarHBondContact O-N 3.27Å; K750-K756 HydrophobicContact CB-CG 4.47Å
751	H	98.1	Very high	97.5	Very high	5 Å²	5	56.9 Å²	56.9	2%	0.023	32%	0.32	C	S	.	.			trans	-77.1	159	-179	-54.6	-56.4	0	0	0	111.5	D729 D753 G754 S755 D757	D729-H751 VanDerWaalsContact CG-ND1 3.29Å; D729-H751 WeakPolarHBondContact OD1-CA 3.49Å; D729-H751 IonicContact OD1-CE1 2.8Å; D729-H751 IonicContact OD1-CG 3.02Å; D729-H751 IonicContact OD1-ND1 3.38Å; D729-H751 PolarHBondContact OD1-ND1 3.41Å; D729-H751 IonicContact OD2-CE1 2.82Å; D729-H751 PolarHBondContact OD2-CE1 3.26Å; D729-H751 IonicContact OD2-ND1 3.83Å; D729-H751 PolarHBondContact OD2-ND1 3.37Å; H751-D753 VanDerWaalsContact C-N 3.27Å; H751-D753 WeakPolarHBondContact CB-OD1 3.45Å; H751-D753 PolarHBondContact O-N 2.88Å; H751-G754 PolarHBondContact O-N 3.06Å; H751-S755 PolarHBondContact CD2-O 3.38Å; H751-S755 PolarHBondContact CD2-OG 3.11Å; H751-S755 PolarHBondContact N-O 3.24Å; H751-D757 IonicContact CE1-OD2 3.7Å; H751-D757 IonicContact NE2-OD2 3.63Å; H751-D757 PolarHBondContact NE2-OD2 3.48Å; H751-D757 VanDerWaalsContact NE2-OD2 3.12Å
752	D	94.1	Very high	97.6	Very high	123 Å²	123	57.3 Å²	57.3	66%	0.658	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-27.1	178.5	58.3	-16.6	0	0	0	113.5	R726 G754	R726-D752 IonicContact NH1-OD1 2.7Å; D752-G754 PolarHBondContact O-N 2.89Å
753	D	96.1	Very high	97.9	Very high	98 Å²	98	54.8 Å²	54.8	52%	0.524	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-3.5	171.3	64.1	24	0	0	0	114.1	R726 H751 S755	R726-D753 IonicContact CZ-OD2 3.73Å; R726-D753 IonicContact NH1-OD2 3.93Å; R726-D753 PolarHBondContact NH1-OD2 3.41Å; R726-D753 IonicContact NH2-OD2 3.92Å; H751-D753 VanDerWaalsContact C-N 3.27Å; H751-D753 WeakPolarHBondContact CB-OD1 3.45Å; H751-D753 PolarHBondContact O-N 2.88Å; D753-S755 VanDerWaalsContact C-N 3.35Å; D753-S755 WeakPolarHBondContact OD1-CB 3.48Å; D753-S755 PolarHBondContact OD1-N 3.1Å; D753-S755 PolarHBondContact OD1-OG 3.14Å; D753-S755 PolarHBondContact OD2-OG 3.24Å
754	G	95.6	Very high	97.8	Very high	52 Å²	52	52.2 Å²	52.2	54%	0.536	28%	0.281	S	S	.	.	S	Bend	trans	87.9	-8.1	-179.8	0	0	0	0	0	115.2	H751 D752	H751-G754 PolarHBondContact O-N 3.06Å; D752-G754 PolarHBondContact O-N 2.89Å
755	S	97.8	Very high	97.8	Very high	53 Å²	53	50 Å²	50	37%	0.371	27%	0.266	S	S	.	.			trans	-69.7	165.3	170.3	69.1	0	0	0	0	111.4	H751 D753	H751-S755 PolarHBondContact CD2-O 3.38Å; H751-S755 PolarHBondContact CD2-OG 3.11Å; H751-S755 PolarHBondContact N-O 3.24Å; D753-S755 VanDerWaalsContact C-N 3.35Å; D753-S755 WeakPolarHBondContact OD1-CB 3.48Å; D753-S755 PolarHBondContact OD1-N 3.1Å; D753-S755 PolarHBondContact OD1-OG 3.14Å; D753-S755 PolarHBondContact OD2-OG 3.24Å
756	K	98	Very high	97.6	Very high	136 Å²	136	51.5 Å²	51.5	59%	0.591	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.9	138.3	-179.9	-58.4	179.8	-176.1	177.6	0	111	I748 L749 K750	I748-K756 HydrophobicContact CG2-CB 4.44Å; I748-K756 HydrophobicContact CG2-CD 4.16Å; L749-K756 CarbonylContact O-C 3.51Å; L749-K756 WeakPolarHBondContact O-CA 3.2Å; K750-K756 HydrophobicContact CB-CG 4.47Å
757	D	98.3	Very high	97.4	Very high	52 Å²	52	53.3 Å²	53.3	28%	0.278	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	140.8	164.2	-86.4	-51.8	0	0	0	109.7	L749 H751	L749-D757 HydrophobicContact CB-CB 4.24Å; L749-D757 HydrophobicContact CD1-CB 4.24Å; L749-D757 PolarHBondContact N-O 3.37Å; L749-D757 PolarHBondContact O-N 3.48Å; H751-D757 IonicContact CE1-OD2 3.7Å; H751-D757 IonicContact NE2-OD2 3.63Å; H751-D757 PolarHBondContact NE2-OD2 3.48Å; H751-D757 VanDerWaalsContact NE2-OD2 3.12Å
758	E	98.3	Very high	97.1	Very high	118 Å²	118	57.4 Å²	57.4	55%	0.551	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.7	128.1	170.1	-60.3	-167.3	159.3	0	0	109	K746 C747 I748	K746-E758 VanDerWaalsContact CE-OE1 3.25Å; K746-E758 WeakPolarHBondContact CE-OE1 3.48Å; K746-E758 WeakPolarHBondContact CE-OE2 3.24Å; K746-E758 IonicContact NZ-OE1 3.46Å; K746-E758 PolarHBondContact NZ-OE1 2.68Å; K746-E758 IonicContact NZ-OE2 3.76Å; K746-E758 PolarHBondContact NZ-OE2 3.38Å; C747-E758 WeakPolarHBondContact O-CA 3.41Å; I748-E758 HydrophobicContact CG1-CG 4.46Å
759	I	98.4	Very high	97.1	Very high	5 Å²	5	56.1 Å²	56.1	3%	0.026	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	155.6	178.2	67.8	178.7	0	0	0	109.8	F716 D721 K724 C747 L749 L761	F716-I759 HydrophobicContact CD1-CD1 3.95Å; F716-I759 HydrophobicContact CE1-CD1 3.73Å; D721-I759 HydrophobicContact CB-CB 4.35Å; D721-I759 HydrophobicContact CB-CG2 3.92Å; K724-I759 HydrophobicContact CD-CG2 4.08Å; C747-I759 HydrophobicContact CB-CD1 4.28Å; C747-I759 HydrophobicContact CB-CG1 3.66Å; C747-I759 PolarHBondContact N-O 2.71Å; C747-I759 PolarHBondContact O-N 2.88Å; L749-I759 HydrophobicContact CD1-CD1 4.22Å; L749-I759 HydrophobicContact CG-CD1 4.46Å; I759-L761 HydrophobicContact CD1-CD2 3.97Å; I759-L761 HydrophobicContact CG1-CD2 4.25Å
760	L	98.6	Very high	97	Very high	90 Å²	90	56.1 Å²	56.1	47%	0.471	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	138.5	173.7	-65.7	178.1	0	0	0	109.7	S717 P744 K746	S717-L760 VanDerWaalsContact CB-O 3.31Å; S717-L760 WeakPolarHBondContact CB-O 3.27Å; S717-L760 PolarHBondContact N-O 2.94Å; S717-L760 VanDerWaalsContact OG-C 3.27Å; S717-L760 WeakPolarHBondContact OG-CB 3.44Å; S717-L760 PolarHBondContact OG-O 3.4Å; S717-L760 VanDerWaalsContact OG-O 3.09Å; P744-L760 HydrophobicContact CB-CB 4.3Å; K746-L760 HydrophobicContact CB-CD2 4.39Å
761	L	98.8	Very high	96.9	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	120.9	179.6	-57.5	-179.7	0	0	0	109.9	I694 L714 T715 F716 L733 P744 V745 C747 I759	I694-L761 HydrophobicContact CD1-CD1 3.8Å; I694-L761 HydrophobicContact CG1-CD1 3.96Å; I694-L761 HydrophobicContact CG2-CD1 3.82Å; I694-L761 HydrophobicContact CG2-CD2 3.55Å; I694-L761 HydrophobicContact CG2-CG 4.34Å; L714-L761 HydrophobicContact CB-CB 4.17Å; L714-L761 HydrophobicContact CB-CD1 4.19Å; L714-L761 HydrophobicContact CD1-CB 4.38Å; L714-L761 HydrophobicContact CD1-CD1 3.7Å; T715-L761 CarbonylContact O-C 3.47Å; T715-L761 WeakPolarHBondContact O-CA 3.28Å; F716-L761 HydrophobicContact CD1-CD2 3.81Å; F716-L761 HydrophobicContact CE1-CD2 4.34Å; F716-L761 HydrophobicContact CG-CD2 4.34Å; L733-L761 HydrophobicContact CD2-CD1 3.94Å; P744-L761 CarbonylContact C-O 3.48Å; P744-L761 VanDerWaalsContact CA-O 3.25Å; P744-L761 WeakPolarHBondContact CA-O 3.46Å; P744-L761 WeakPolarHBondContact CB-O 3.24Å; V745-L761 PolarHBondContact N-O 3.39Å; V745-L761 PolarHBondContact O-N 3.38Å; C747-L761 HydrophobicContact CB-CD1 3.55Å; C747-L761 HydrophobicContact CB-CG 3.85Å; I759-L761 HydrophobicContact CD1-CD2 3.97Å; I759-L761 HydrophobicContact CG1-CD2 4.25Å
762	N	98.5	Very high	96.9	Very high	64 Å²	64	56 Å²	56	34%	0.342	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	161.2	172.5	-66.6	-27.3	0	0	0	111.1	L714 T715 S717	L714-N762 WeakPolarHBondContact CA-O 3.44Å; T715-N762 PolarHBondContact N-O 3.09Å; T715-N762 PolarHBondContact O-N 2.7Å; S717-N762 WeakPolarHBondContact CA-ND2 3.38Å; S717-N762 VanDerWaalsContact OG-CG 3.3Å; S717-N762 PolarHBondContact OG-OD1 3.46Å
763	H	97.9	Very high	97.1	Very high	16 Å²	16	50.4 Å²	50.4	7%	0.074	27%	0.266	C	S	.	.			trans	-150.7	160.7	171.2	71.3	76.9	0	0	0	110.7	L714 L739 T740 K743 F765	L714-H763 HydrophobicContact CD2-CB 3.84Å; L739-H763 WeakPolarHBondContact CD1-NE2 3.36Å; T740-H763 PolarHBondContact O-CE1 3.39Å; T740-H763 PolarHBondContact O-NE2 3.44Å; K743-H763 PolarHBondContact O-CD2 2.77Å; K743-H763 PolarHBondContact O-NE2 3.05Å; H763-F765 HydrophobicContact CB-CD2 3.87Å; H763-F765 HydrophobicContact CB-CE2 4.44Å; H763-F765 AromaticContact ND1-CD2 3.81Å; H763-F765 PolarHBondContact ND1-N 3.12Å
764	T	96.1	Very high	97.1	Very high	43 Å²	43	50.5 Å²	50.5	26%	0.264	26%	0.259	S	S	.	.			trans	-112.4	12.9	179.1	70.8	0	0	0	0	113.2	Y95 E703 K707 N766	Y95-T764 WeakPolarHBondContact CE2-O 3.26Å; Y95-T764 PolarHBondContact OH-O 2.9Å; Y95-T764 PolarHBondContact OH-OG1 3.03Å; E703-T764 PolarHBondContact OE1-OG1 2.8Å; K707-T764 PolarHBondContact NZ-O 3.35Å; K707-T764 PolarHBondContact NZ-OG1 3.35Å; T764-N766 PolarHBondContact O-N 2.86Å
765	F	97	Very high	97.2	Very high	4 Å²	4	49.1 Å²	49.1	2%	0.018	24%	0.242	C	C	.	.			trans	-57.2	132.7	171.5	-67.2	-102.8	0	0	0	111.5	K707 L712 H763 Q769 I770 F773	K707-F765 HydrophobicContact CB-CE1 3.93Å; K707-F765 HydrophobicContact CB-CZ 4.24Å; K707-F765 HydrophobicContact CD-CD1 4.38Å; K707-F765 HydrophobicContact CD-CE1 4.25Å; K707-F765 HydrophobicContact CD-CZ 4.4Å; K707-F765 HydrophobicContact CG-CD1 4.24Å; K707-F765 HydrophobicContact CG-CE1 3.63Å; K707-F765 HydrophobicContact CG-CE2 4.14Å; K707-F765 HydrophobicContact CG-CZ 3.58Å; L712-F765 HydrophobicContact CD2-CE2 4.28Å; L712-F765 HydrophobicContact CD2-CZ 4.17Å; H763-F765 HydrophobicContact CB-CD2 3.87Å; H763-F765 HydrophobicContact CB-CE2 4.44Å; H763-F765 AromaticContact ND1-CD2 3.81Å; H763-F765 PolarHBondContact ND1-N 3.12Å; F765-Q769 HydrophobicContact CB-CB 4.26Å; F765-Q769 HydrophobicContact CD1-CB 3.63Å; F765-Q769 HydrophobicContact CE1-CB 4.47Å; F765-Q769 HydrophobicContact CG-CB 4.33Å; F765-I770 HydrophobicContact CB-CG1 3.85Å; F765-F773 HydrophobicContact CE1-CB 4.34Å
766	N	94.8	Very high	97.1	Very high	36 Å²	36	46.6 Å²	46.6	19%	0.193	23%	0.225	C	C	.	.			trans	-95	-178.5	160.9	72.2	-9.5	0	0	0	110.4	Y95 E230 T764 H768 Q769 I770	Y95-N766 HydrophobicContact CD2-CB 4.15Å; Y95-N766 HydrophobicContact CE2-CB 4.33Å; E230-N766 PolarHBondContact OE1-ND2 3.21Å; T764-N766 PolarHBondContact O-N 2.86Å; N766-H768 VanDerWaalsContact C-N 3.32Å; N766-H768 PolarHBondContact O-N 2.8Å; N766-H768 PolarHBondContact OD1-N 3.32Å; N766-Q769 PolarHBondContact O-N 3.48Å; N766-Q769 WeakPolarHBondContact OD1-CB 3.46Å; N766-Q769 WeakPolarHBondContact OD1-CG 3.27Å; N766-Q769 PolarHBondContact OD1-N 2.71Å; N766-I770 VanDerWaalsContact O-CG1 3.31Å; N766-I770 WeakPolarHBondContact O-CG1 3.3Å; N766-I770 PolarHBondContact O-N 2.7Å
767	E	94.6	Very high	97	Very high	109 Å²	109	40.3 Å²	40.3	51%	0.509	20%	0.198	S	C	.	.	H	α-helix	trans	-54.9	-46.1	-179.8	-66	-61.6	162.6	0	0	112.6	P741 Q769 I770 E771	P741-E767 WeakPolarHBondContact CD-OE1 3.36Å; P741-E767 HydrophobicContact CG-CG 3.96Å; P741-E767 WeakPolarHBondContact CG-OE1 3.25Å; E767-Q769 PolarHBondContact O-N 3.43Å; E767-I770 WeakPolarHBondContact O-CB 3.44Å; E767-I770 PolarHBondContact O-N 3.02Å; E767-E771 PolarHBondContact O-N 3.43Å
768	H	93.1	Very high	96.9	Very high	87 Å²	87	38 Å²	38	40%	0.403	19%	0.187	S	C	.	.	H	α-helix	trans	-62.3	-43.6	-178.7	-168.4	113.9	0	0	0	111.7	N766 I770 E771 W772	N766-H768 VanDerWaalsContact C-N 3.32Å; N766-H768 PolarHBondContact O-N 2.8Å; N766-H768 PolarHBondContact OD1-N 3.32Å; H768-I770 VanDerWaalsContact C-N 3.33Å; H768-I770 PolarHBondContact O-N 2.83Å; H768-E771 WeakPolarHBondContact O-CB 3.43Å; H768-E771 PolarHBondContact O-N 3.06Å; H768-W772 AromaticContact CD2-CD1 3.93Å; H768-W772 AromaticContact CD2-CE2 3.32Å; H768-W772 AromaticContact CD2-CZ2 3.41Å; H768-W772 VanDerWaalsContact CD2-CZ2 3.41Å; H768-W772 WeakPolarHBondContact CD2-CZ2 3.42Å; H768-W772 AromaticContact CD2-NE1 2.99Å; H768-W772 PolarHBondContact CD2-NE1 2.81Å; H768-W772 AromaticContact NE2-CE2 3.6Å; H768-W772 AromaticContact NE2-CZ2 3.68Å; H768-W772 AromaticContact NE2-NE1 3Å; H768-W772 PolarHBondContact NE2-NE1 3.06Å; H768-W772 PolarHBondContact O-N 3.06Å
769	Q	96.9	Very high	96.6	Very high	6 Å²	6	33.7 Å²	33.7	3%	0.028	17%	0.167	C	C	.	.	H	α-helix	trans	-69.9	-29.6	178.9	-66	166.6	14	0	0	112.3	E230 F765 N766 E767 E771 W772 F773	E230-Q769 PolarHBondContact OE1-NE2 3.24Å; E230-Q769 PolarHBondContact OE2-NE2 3.09Å; F765-Q769 HydrophobicContact CB-CB 4.26Å; F765-Q769 HydrophobicContact CD1-CB 3.63Å; F765-Q769 HydrophobicContact CE1-CB 4.47Å; F765-Q769 HydrophobicContact CG-CB 4.33Å; N766-Q769 PolarHBondContact O-N 3.48Å; N766-Q769 WeakPolarHBondContact OD1-CB 3.46Å; N766-Q769 WeakPolarHBondContact OD1-CG 3.27Å; N766-Q769 PolarHBondContact OD1-N 2.71Å; E767-Q769 PolarHBondContact O-N 3.43Å; Q769-E771 VanDerWaalsContact C-N 3.28Å; Q769-E771 PolarHBondContact O-N 3.1Å; Q769-W772 HydrophobicContact CB-CE3 4.17Å; Q769-W772 HydrophobicContact CB-CZ3 4.39Å; Q769-W772 HydrophobicContact CG-CD2 4.42Å; Q769-W772 HydrophobicContact CG-CE3 3.89Å; Q769-W772 HydrophobicContact CG-CH2 3.88Å; Q769-W772 HydrophobicContact CG-CZ2 4.43Å; Q769-W772 HydrophobicContact CG-CZ3 3.61Å; Q769-W772 WeakPolarHBondContact O-CB 3.42Å; Q769-W772 PolarHBondContact O-N 2.84Å; Q769-F773 PolarHBondContact O-N 3.04Å
770	I	97.9	Very high	96.3	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-63.6	-37.1	172.8	-69.3	165.3	0	0	0	110.1	L739 P741 F765 N766 E767 H768 W772 F773 R774	L739-I770 HydrophobicContact CD2-CG1 4.08Å; L739-I770 HydrophobicContact CD2-CG2 4.31Å; L739-I770 HydrophobicContact CG-CD1 4.24Å; L739-I770 HydrophobicContact CG-CG1 4.24Å; P741-I770 HydrophobicContact CG-CD1 4.17Å; F765-I770 HydrophobicContact CB-CG1 3.85Å; N766-I770 VanDerWaalsContact O-CG1 3.31Å; N766-I770 WeakPolarHBondContact O-CG1 3.3Å; N766-I770 PolarHBondContact O-N 2.7Å; E767-I770 WeakPolarHBondContact O-CB 3.44Å; E767-I770 PolarHBondContact O-N 3.02Å; H768-I770 VanDerWaalsContact C-N 3.33Å; H768-I770 PolarHBondContact O-N 2.83Å; I770-W772 VanDerWaalsContact C-N 3.3Å; I770-W772 PolarHBondContact O-N 2.79Å; I770-F773 WeakPolarHBondContact O-CB 3.29Å; I770-F773 PolarHBondContact O-N 2.96Å; I770-R774 HydrophobicContact CG2-CG 4.36Å; I770-R774 WeakPolarHBondContact O-CG 3.42Å; I770-R774 PolarHBondContact O-N 3.19Å
771	E	96.7	Very high	96	Very high	74 Å²	74	33.5 Å²	33.5	35%	0.346	16%	0.162	S	C	.	.	H	α-helix	trans	-63.1	-35	174.4	-60.4	-168.2	157.2	0	0	112.6	E767 H768 Q769 R774 A775 R781	E767-E771 PolarHBondContact O-N 3.43Å; H768-E771 WeakPolarHBondContact O-CB 3.43Å; H768-E771 PolarHBondContact O-N 3.06Å; Q769-E771 VanDerWaalsContact C-N 3.28Å; Q769-E771 PolarHBondContact O-N 3.1Å; E771-R774 PolarHBondContact O-N 3.02Å; E771-A775 VanDerWaalsContact O-CB 3.31Å; E771-A775 WeakPolarHBondContact O-CB 3.46Å; E771-A775 PolarHBondContact O-N 2.94Å; E771-R781 HydrophobicContact CB-CG 4.37Å; E771-R781 IonicContact OE1-NH2 3.26Å; E771-R781 IonicContact OE2-CZ 3.03Å; E771-R781 VanDerWaalsContact OE2-CZ 3.26Å; E771-R781 IonicContact OE2-NE 2.87Å; E771-R781 PolarHBondContact OE2-NE 3.18Å; E771-R781 IonicContact OE2-NH2 2.74Å; E771-R781 PolarHBondContact OE2-NH2 3.06Å
772	W	97	Very high	95.5	Very high	10 Å²	10	34.3 Å²	34.3	4%	0.038	17%	0.166	C	C	.	.	H	α-helix	trans	-62.4	-44.7	174.1	-57.5	-12.1	0	0	0	111.6	K707 K708 H768 Q769 I770 A775 G776 S777 A778	K707-W772 HydrophobicContact CB-CE3 4.33Å; K708-W772 HydrophobicContact CD-CD2 4.33Å; K708-W772 HydrophobicContact CD-CE3 3.83Å; K708-W772 HydrophobicContact CD-CH2 3.89Å; K708-W772 HydrophobicContact CD-CZ2 4.35Å; K708-W772 HydrophobicContact CD-CZ3 3.57Å; K708-W772 VanDerWaalsContact CE-CH2 3.44Å; K708-W772 HydrophobicContact CG-CE3 4.29Å; K708-W772 HydrophobicContact CG-CZ3 3.97Å; K708-W772 VanDerWaalsContact NZ-CZ2 3.3Å; H768-W772 AromaticContact CD2-CD1 3.93Å; H768-W772 AromaticContact CD2-CE2 3.32Å; H768-W772 AromaticContact CD2-CZ2 3.41Å; H768-W772 VanDerWaalsContact CD2-CZ2 3.41Å; H768-W772 WeakPolarHBondContact CD2-CZ2 3.42Å; H768-W772 AromaticContact CD2-NE1 2.99Å; H768-W772 PolarHBondContact CD2-NE1 2.81Å; H768-W772 AromaticContact NE2-CE2 3.6Å; H768-W772 AromaticContact NE2-CZ2 3.68Å; H768-W772 AromaticContact NE2-NE1 3Å; H768-W772 PolarHBondContact NE2-NE1 3.06Å; H768-W772 PolarHBondContact O-N 3.06Å; Q769-W772 HydrophobicContact CB-CE3 4.17Å; Q769-W772 HydrophobicContact CB-CZ3 4.39Å; Q769-W772 HydrophobicContact CG-CD2 4.42Å; Q769-W772 HydrophobicContact CG-CE3 3.89Å; Q769-W772 HydrophobicContact CG-CH2 3.88Å; Q769-W772 HydrophobicContact CG-CZ2 4.43Å; Q769-W772 HydrophobicContact CG-CZ3 3.61Å; Q769-W772 WeakPolarHBondContact O-CB 3.42Å; Q769-W772 PolarHBondContact O-N 2.84Å; I770-W772 VanDerWaalsContact C-N 3.3Å; I770-W772 PolarHBondContact O-N 2.79Å; W772-A775 PolarHBondContact O-N 2.97Å; W772-G776 CarbonylContact O-C 3.58Å; W772-G776 PolarHBondContact O-N 3.42Å; W772-G776 VanDerWaalsContact O-N 3.13Å; W772-S777 CarbonylContact O-C 3.56Å; W772-S777 WeakPolarHBondContact O-CA 3.48Å; W772-S777 PolarHBondContact O-N 3.31Å; W772-A778 HydrophobicContact CB-CB 4.12Å; W772-A778 HydrophobicContact CD2-CB 3.61Å; W772-A778 HydrophobicContact CE3-CB 4.15Å; W772-A778 HydrophobicContact CG-CB 3.58Å
773	F	98.1	Very high	94.8	Very high	5 Å²	5	32.9 Å²	32.9	2%	0.022	16%	0.163	C	C	.	.	H	α-helix	trans	-59.2	-50.1	175	163.9	-107.8	0	0	0	111.1	W581 M586 L712 L736 L739 F765 Q769 I770 A775 G776	W581-F773 HydrophobicContact CB-CZ 4.33Å; W581-F773 AromaticContact CD1-CZ 3.77Å; W581-F773 AromaticContact CD2-CE1 3.77Å; W581-F773 HydrophobicContact CD2-CE1 3.77Å; W581-F773 AromaticContact CD2-CZ 3.96Å; W581-F773 HydrophobicContact CD2-CZ 3.96Å; W581-F773 HydrophobicContact CE3-CE1 4.11Å; W581-F773 AromaticContact CG-CE1 3.97Å; W581-F773 HydrophobicContact CG-CE1 3.97Å; W581-F773 HydrophobicContact CG-CE2 4.47Å; W581-F773 AromaticContact CG-CZ 3.75Å; W581-F773 HydrophobicContact CG-CZ 3.75Å; W581-F773 AromaticContact NE1-CZ 3.97Å; M586-F773 HydrophobicContact CE-CE2 3.75Å; M586-F773 HydrophobicContact CE-CZ 3.94Å; L712-F773 HydrophobicContact CD1-CE2 4.04Å; L712-F773 HydrophobicContact CD1-CZ 4.21Å; L712-F773 HydrophobicContact CD2-CD1 4.4Å; L712-F773 HydrophobicContact CD2-CD2 3.77Å; L712-F773 HydrophobicContact CD2-CE1 4.46Å; L712-F773 HydrophobicContact CD2-CE2 3.84Å; L712-F773 HydrophobicContact CD2-CG 4.07Å; L712-F773 HydrophobicContact CD2-CZ 4.2Å; L712-F773 HydrophobicContact CG-CD2 3.99Å; L712-F773 HydrophobicContact CG-CE2 3.72Å; L712-F773 HydrophobicContact CG-CZ 4.29Å; L736-F773 HydrophobicContact CD1-CZ 4.43Å; L739-F773 HydrophobicContact CD2-CD1 4.14Å; L739-F773 HydrophobicContact CD2-CE1 4.43Å; F765-F773 HydrophobicContact CE1-CB 4.34Å; Q769-F773 PolarHBondContact O-N 3.04Å; I770-F773 WeakPolarHBondContact O-CB 3.29Å; I770-F773 PolarHBondContact O-N 2.96Å; F773-A775 VanDerWaalsContact C-N 3.34Å; F773-A775 PolarHBondContact O-N 3.15Å; F773-G776 WeakPolarHBondContact O-CA 3.35Å; F773-G776 PolarHBondContact O-N 2.95Å
774	R	97.6	Very high	94.2	Very high	100 Å²	100	34.6 Å²	34.6	38%	0.377	18%	0.18	S	C	.	.	H	α-helix	trans	-60.3	-42.8	-179.3	-68.7	177.4	179.3	165.6	4.3	112	W581 I770 E771 G776	W581-R774 HydrophobicContact CE3-CB 4.37Å; W581-R774 HydrophobicContact CE3-CG 3.84Å; W581-R774 HydrophobicContact CZ3-CG 4.12Å; W581-R774 PolarHBondContact N-O 3.48Å; W581-R774 VanDerWaalsContact N-O 3.07Å; I770-R774 HydrophobicContact CG2-CG 4.36Å; I770-R774 WeakPolarHBondContact O-CG 3.42Å; I770-R774 PolarHBondContact O-N 3.19Å; E771-R774 PolarHBondContact O-N 3.02Å; R774-G776 PolarHBondContact O-N 3.46Å
775	A	96.5	Very high	93.5	Very high	23 Å²	23	37.4 Å²	37.4	19%	0.19	19%	0.193	C	C	.	.	H	α-helix	trans	-71.2	-11.2	177.1	0	0	0	0	0	113.5	E771 W772 F773 S777 N780 R781	E771-A775 VanDerWaalsContact O-CB 3.31Å; E771-A775 WeakPolarHBondContact O-CB 3.46Å; E771-A775 PolarHBondContact O-N 2.94Å; W772-A775 PolarHBondContact O-N 2.97Å; F773-A775 VanDerWaalsContact C-N 3.34Å; F773-A775 PolarHBondContact O-N 3.15Å; A775-S777 VanDerWaalsContact C-N 3.29Å; A775-S777 PolarHBondContact O-N 2.73Å; A775-N780 HydrophobicContact CB-CB 4.07Å; A775-N780 VanDerWaalsContact O-CB 3.25Å; A775-N780 WeakPolarHBondContact O-CB 3.32Å; A775-N780 PolarHBondContact O-ND2 3.47Å; A775-R781 HydrophobicContact CB-CB 3.89Å
776	G	96.5	Very high	92.3	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.01	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.2	-16.6	-177.5	0	0	0	0	0	114.5	E579 W772 F773 R774	E579-G776 WeakPolarHBondContact O-CA 3.5Å; W772-G776 CarbonylContact O-C 3.58Å; W772-G776 PolarHBondContact O-N 3.42Å; W772-G776 VanDerWaalsContact O-N 3.13Å; F773-G776 WeakPolarHBondContact O-CA 3.35Å; F773-G776 PolarHBondContact O-N 2.95Å; R774-G776 PolarHBondContact O-N 3.46Å
777	S	96.5	Very high	90.9	Very high	3 Å²	3	53.4 Å²	53.4	2%	0.021	26%	0.263	C	S	.	.	S	Bend	trans	-168.9	164.7	167	66.6	0	0	0	0	110.3	K708 W772 A775 L779 N780 R781	K708-S777 CarbonylContact O-C 3.59Å; K708-S777 WeakPolarHBondContact O-CA 3.41Å; K708-S777 WeakPolarHBondContact O-CB 3.22Å; W772-S777 CarbonylContact O-C 3.56Å; W772-S777 WeakPolarHBondContact O-CA 3.48Å; W772-S777 PolarHBondContact O-N 3.31Å; A775-S777 VanDerWaalsContact C-N 3.29Å; A775-S777 PolarHBondContact O-N 2.73Å; S777-L779 VanDerWaalsContact C-N 3.29Å; S777-L779 PolarHBondContact O-N 3.46Å; S777-N780 PolarHBondContact O-N 3.34Å; S777-N780 WeakPolarHBondContact OG-CB 3.5Å; S777-N780 PolarHBondContact OG-N 2.58Å; S777-N780 PolarHBondContact OG-OD1 3.08Å; S777-R781 PolarHBondContact O-N 3.01Å; S777-R781 VanDerWaalsContact O-N 3.14Å
778	A	94.9	Very high	90.7	Very high	5 Å²	5	50.7 Å²	50.7	4%	0.041	25%	0.251	C	S	.	.	H	α-helix	trans	-64.5	-34.3	171.3	0	0	0	0	0	112.4	K708 W772 R781 M782	K708-A778 HydrophobicContact CB-CB 4.46Å; K708-A778 HydrophobicContact CD-CB 3.35Å; K708-A778 HydrophobicContact CG-CB 4.5Å; K708-A778 PolarHBondContact O-N 2.77Å; W772-A778 HydrophobicContact CB-CB 4.12Å; W772-A778 HydrophobicContact CD2-CB 3.61Å; W772-A778 HydrophobicContact CE3-CB 4.15Å; W772-A778 HydrophobicContact CG-CB 3.58Å; A778-R781 WeakPolarHBondContact O-CB 3.46Å; A778-R781 PolarHBondContact O-N 3.03Å; A778-M782 WeakPolarHBondContact O-CB 3.39Å; A778-M782 PolarHBondContact O-N 3.23Å
779	L	92.1	Very high	90.5	Very high	27 Å²	27	48.7 Å²	48.7	14%	0.141	24%	0.243	C	C	.	.	H	α-helix	trans	-64.8	-41.3	176.3	-176.3	64.3	0	0	0	111.4	Q116 S777 R781 M782 A783	Q116-L779 HydrophobicContact CB-CD2 4.28Å; Q116-L779 HydrophobicContact CG-CD2 4.21Å; S777-L779 VanDerWaalsContact C-N 3.29Å; S777-L779 PolarHBondContact O-N 3.46Å; L779-R781 VanDerWaalsContact C-N 3.3Å; L779-R781 PolarHBondContact O-N 3.21Å; L779-M782 PolarHBondContact O-N 3.38Å; L779-A783 WeakPolarHBondContact O-CB 3.36Å; L779-A783 PolarHBondContact O-N 2.93Å
780	N	92.3	Very high	90.2	Very high	29 Å²	29	51.1 Å²	51.1	16%	0.155	26%	0.255	C	S	.	.	H	α-helix	trans	-62.6	-40.4	173.7	-70.1	3.2	0	0	0	111.2	F578 A775 S777 A783 A784	F578-N780 PolarHBondContact O-ND2 3.3Å; A775-N780 HydrophobicContact CB-CB 4.07Å; A775-N780 VanDerWaalsContact O-CB 3.25Å; A775-N780 WeakPolarHBondContact O-CB 3.32Å; A775-N780 PolarHBondContact O-ND2 3.47Å; S777-N780 PolarHBondContact O-N 3.34Å; S777-N780 WeakPolarHBondContact OG-CB 3.5Å; S777-N780 PolarHBondContact OG-N 2.58Å; S777-N780 PolarHBondContact OG-OD1 3.08Å; N780-A783 PolarHBondContact O-N 2.76Å; N780-A784 WeakPolarHBondContact O-CB 3.07Å; N780-A784 PolarHBondContact O-N 3.3Å
781	R	92.5	Very high	89.7	Confident	61 Å²	61	54.1 Å²	54.1	23%	0.23	27%	0.27	C	S	.	.	H	α-helix	trans	-63	-44.2	177.1	-179.3	56.9	-178.6	136.8	-7.3	111.5	E771 A775 S777 A778 L779 A784 L785	E771-R781 HydrophobicContact CB-CG 4.37Å; E771-R781 IonicContact OE1-NH2 3.26Å; E771-R781 IonicContact OE2-CZ 3.03Å; E771-R781 VanDerWaalsContact OE2-CZ 3.26Å; E771-R781 IonicContact OE2-NE 2.87Å; E771-R781 PolarHBondContact OE2-NE 3.18Å; E771-R781 IonicContact OE2-NH2 2.74Å; E771-R781 PolarHBondContact OE2-NH2 3.06Å; A775-R781 HydrophobicContact CB-CB 3.89Å; S777-R781 PolarHBondContact O-N 3.01Å; S777-R781 VanDerWaalsContact O-N 3.14Å; A778-R781 WeakPolarHBondContact O-CB 3.46Å; A778-R781 PolarHBondContact O-N 3.03Å; L779-R781 VanDerWaalsContact C-N 3.3Å; L779-R781 PolarHBondContact O-N 3.21Å; R781-A784 PolarHBondContact O-N 3.06Å; R781-L785 PolarHBondContact O-N 3.11Å
782	M	87.3	Confident	89.3	Confident	18 Å²	18	52.9 Å²	52.9	9%	0.089	27%	0.265	C	S	.	.	H	α-helix	trans	-59.3	-49.8	175.7	-174.3	-178	-49.4	0	0	111.5	V221 D222 A225 L227 A778 L779 A784 L785 E786	V221-M782 HydrophobicContact CG1-CE 4.13Å; V221-M782 HydrophobicContact CG1-SD 4.37Å; D222-M782 WeakPolarHBondContact OD1-CE 3.34Å; A225-M782 HydrophobicContact CB-SD 4.01Å; L227-M782 HydrophobicContact CD1-CE 3.54Å; L227-M782 HydrophobicContact CD1-CG 3.97Å; L227-M782 HydrophobicContact CD1-SD 4Å; A778-M782 WeakPolarHBondContact O-CB 3.39Å; A778-M782 PolarHBondContact O-N 3.23Å; L779-M782 PolarHBondContact O-N 3.38Å; M782-A784 PolarHBondContact O-N 2.75Å; M782-L785 PolarHBondContact O-N 3.42Å; M782-E786 PolarHBondContact O-N 2.64Å
783	A	84.9	Confident	88.8	Confident	34 Å²	34	55.7 Å²	55.7	28%	0.281	28%	0.28	S	S	.	.	H	α-helix	trans	-62.9	-25.2	177.9	0	0	0	0	0	113.5	L779 N780	L779-A783 WeakPolarHBondContact O-CB 3.36Å; L779-A783 PolarHBondContact O-N 2.93Å; N780-A783 PolarHBondContact O-N 2.76Å
784	A	85.4	Confident	88.1	Confident	51 Å²	51	59.4 Å²	59.4	42%	0.421	30%	0.298	S	S	.	.	H	α-helix	trans	-81.1	-16.7	175.1	0	0	0	0	0	113.7	N780 R781 M782	N780-A784 WeakPolarHBondContact O-CB 3.07Å; N780-A784 PolarHBondContact O-N 3.3Å; R781-A784 PolarHBondContact O-N 3.06Å; M782-A784 PolarHBondContact O-N 2.75Å
785	L	81.2	Confident	87.4	Confident	103 Å²	103	56.2 Å²	56.2	54%	0.539	29%	0.292	S	S	.	.	H	α-helix	trans	-86.1	-23.2	176	-72.1	169.5	0	0	0	112.8	R781 M782	R781-L785 PolarHBondContact O-N 3.11Å; M782-L785 PolarHBondContact O-N 3.42Å
786	E	71.3	Confident	86.6	Confident	144 Å²	144	59 Å²	59	67%	0.673	30%	0.301	S	S	*	.			trans	-82.2	-15.7	175.7	-78.2	-71.8	152.7	0	0	113.5	M782	M782-E786 PolarHBondContact O-N 2.64Å
787	K	64.9	Low	85.7	Confident	232 Å²	232	64.3 Å²	64.3	100%	1.009	33%	0.327	S	S	*	.			trans	-92.4	0	175.3	-69.9	179.7	-177.9	179.1	0	110.5

Retrieved 787 of 787 residues in 963.4 ms (Link to these results)

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