A0A3Q0KHI9_SCHMA Loading...

[acyl-carrier-protein] S-malonyltransferase

AlphaFold DB , UniProt , Accession A0A3Q0KHI9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 373 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	33.8	Very low	23.5	Very low	238 Å²	238	161.6 Å²	161.6	100%	1.172	80%	0.8	S	S	*	*				0	98.2	0	-63.9	173	-167.3	0	0	107.7
2	R	29.1	Very low	23.4	Very low	249 Å²	249	161.8 Å²	161.8	94%	0.94	80%	0.803	S	S	*	*			trans	-91.3	99.5	-178.4	-75	-177.5	-175.6	-176.7	1.6	108.5	S4	R2-S4 PolarHBondContact O-N 3.08Å; R2-S4 VanDerWaalsContact O-N 3.12Å
3	N	24.6	Very low	23.5	Very low	152 Å²	152	156.9 Å²	156.9	81%	0.813	79%	0.787	S	S	*	*			trans	-70.8	98.3	169.1	-83	-10.2	0	0	0	108.7
4	S	23.4	Very low	23.7	Very low	98 Å²	98	159.1 Å²	159.1	69%	0.685	78%	0.784	S	S	*	*			trans	-93.1	91.9	165	45.8	0	0	0	0	107.5	R2 F6	R2-S4 PolarHBondContact O-N 3.08Å; R2-S4 VanDerWaalsContact O-N 3.12Å; S4-F6 PolarHBondContact O-N 3.35Å
5	T	21.9	Very low	24.1	Very low	96 Å²	96	160.6 Å²	160.6	59%	0.589	79%	0.788	S	S	*	*			trans	-80.5	104.9	-176.5	-46.8	0	0	0	0	109.5	Y7	T5-Y7 HydrophobicContact CG2-CD2 3.22Å; T5-Y7 HydrophobicContact CG2-CE2 3.07Å; T5-Y7 HydrophobicContact CG2-CG 4.35Å
6	F	18.3	Very low	25.1	Very low	187 Å²	187	152.6 Å²	152.6	82%	0.82	75%	0.752	S	S	*	*			trans	-67.9	121.9	164.4	-80.8	-105	0	0	0	109.3	S4	S4-F6 PolarHBondContact O-N 3.35Å
7	Y	21.1	Very low	25.9	Very low	192 Å²	192	145.5 Å²	145.5	75%	0.753	72%	0.718	S	S	*	*			trans	-145.7	122.6	166.3	-85	-55.9	0	0	0	113.3	T5	T5-Y7 HydrophobicContact CG2-CD2 3.22Å; T5-Y7 HydrophobicContact CG2-CE2 3.07Å; T5-Y7 HydrophobicContact CG2-CG 4.35Å
8	I	23.5	Very low	26.5	Very low	136 Å²	136	143.2 Å²	143.2	70%	0.697	72%	0.715	S	S	*	*			trans	79.3	85.1	137.3	-55.9	167.1	0	0	0	115.7
9	T	22.7	Very low	27.4	Very low	125 Å²	125	143.9 Å²	143.9	77%	0.767	72%	0.716	S	S	*	*				63.3	109.2	90.6	62.6	0	0	0	0	115.5
10	K	19.7	Very low	28.3	Very low	194 Å²	194	138.4 Å²	138.4	84%	0.843	69%	0.689	S	S	*	*			trans	-48.6	137.6	164.3	-66.2	176.3	172	-176.6	0	112.9
11	P	20.9	Very low	29.1	Very low	111 Å²	111	133.9 Å²	133.9	72%	0.721	67%	0.67	S	S	*	*			trans	-79.2	131.2	135	0.5	18.8	0	0	0	108.6	V13	P11-V13 PolarHBondContact O-N 2.88Å
12	I	21.4	Very low	29.8	Very low	164 Å²	164	123.2 Å²	123.2	84%	0.841	62%	0.617	S	S	*	*			trans	-66.9	105.1	174.1	-63.7	159.2	0	0	0	107.5
13	V	24.8	Very low	30.4	Very low	98 Å²	98	119.7 Å²	119.7	59%	0.594	60%	0.604	S	S	*	*			trans	-104.2	127.5	173.2	-177.8	0	0	0	0	106.9	P11 E15	P11-V13 PolarHBondContact O-N 2.88Å; V13-E15 PolarHBondContact O-N 2.71Å
14	Y	25.9	Very low	31	Very low	187 Å²	187	118 Å²	118	73%	0.733	59%	0.586	S	S	*	*			trans	-51.1	123.1	179.3	-82.3	-98.8	0	0	0	110.9	C16	Y14-C16 PolarHBondContact O-N 3.14Å
15	E	29.8	Very low	31.2	Very low	182 Å²	182	119 Å²	119	85%	0.85	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	31.8	-176.9	-87.9	180	167.6	0	0	114.4	V13 L17	V13-E15 PolarHBondContact O-N 2.71Å; E15-L17 VanDerWaalsContact C-N 3.28Å; E15-L17 PolarHBondContact O-N 3.26Å
16	C	40.3	Very low	31.3	Very low	32 Å²	32	122.2 Å²	122.2	22%	0.216	61%	0.605	C	S	.	*	T	Hydrogen-bonded Turn	trans	-70	-26.2	179	-79.7	0	0	0	0	113.1	Y14 C90	Y14-C16 PolarHBondContact O-N 3.14Å; C16-C90 HydrophobicContact CB-CB 3.65Å; C16-C90 WeakPolarHBondContact CB-SG 3.46Å
17	L	38.5	Very low	31.6	Very low	33 Å²	33	122.2 Å²	122.2	17%	0.173	61%	0.605	C	S	.	*	S	Bend	trans	-142.7	111.4	168.3	-69	171.6	0	0	0	108.4	E15 H19 M87 Y165	E15-L17 VanDerWaalsContact C-N 3.28Å; E15-L17 PolarHBondContact O-N 3.26Å; L17-H19 PolarHBondContact O-N 3.2Å; L17-M87 HydrophobicContact CD1-CG 4.07Å; L17-M87 HydrophobicContact CD2-CG 4.48Å; L17-Y165 HydrophobicContact CD1-CD1 4.09Å; L17-Y165 HydrophobicContact CD1-CG 4.16Å
18	P	38	Very low	31.8	Very low	103 Å²	103	118.1 Å²	118.1	67%	0.669	60%	0.604	S	S	*	*	S	Bend	trans	-62.2	-13	-171.6	8.6	-17.4	0	0	0	115.4
19	H	43.6	Very low	31.9	Very low	157 Å²	157	117 Å²	117	73%	0.727	61%	0.609	S	S	*	*	S	Bend	trans	-150.4	146.2	171.6	-68.2	-63.2	0	0	0	109.8	L17 P21	L17-H19 PolarHBondContact O-N 3.2Å; H19-P21 WeakPolarHBondContact O-CD 3.42Å
20	N	45.5	Very low	32.2	Very low	34 Å²	34	118.7 Å²	118.7	18%	0.182	61%	0.613	C	S	.	*			trans	-57.1	110.9	162.6	179.3	-17.1	0	0	0	106.7	F22 V158 L163	N20-F22 PolarHBondContact O-N 3.27Å; N20-F22 WeakPolarHBondContact OD1-CB 3.37Å; N20-F22 VanDerWaalsContact OD1-CD2 3.26Å; N20-F22 WeakPolarHBondContact OD1-CD2 3.46Å; N20-F22 PolarHBondContact OD1-N 3.12Å; N20-V158 PolarHBondContact ND2-O 3.37Å; N20-L163 PolarHBondContact ND2-O 3.03Å
21	P	45.4	Very low	32.5	Very low	43 Å²	43	114.7 Å²	114.7	28%	0.279	61%	0.609	S	S	.	*	T	Hydrogen-bonded Turn	trans	-63.6	-21.5	-173.2	24.7	-30.9	0	0	0	110.6	H19 R23 R133	H19-P21 WeakPolarHBondContact O-CD 3.42Å; P21-R23 VanDerWaalsContact C-N 3.33Å; P21-R23 PolarHBondContact O-N 3.26Å; P21-R133 VanDerWaalsContact C-NH1 3.34Å; P21-R133 PolarHBondContact O-NH1 3.48Å; P21-R133 PolarHBondContact O-NH2 3.25Å
22	F	47.4	Very low	32.8	Very low	15 Å²	15	112.8 Å²	112.8	7%	0.066	61%	0.61	C	S	.	*	T	Hydrogen-bonded Turn	trans	-81.6	8.1	-170	-50.1	-63.5	0	0	0	116.7	N20 L126 L129 V130 V158 F159	N20-F22 PolarHBondContact O-N 3.27Å; N20-F22 WeakPolarHBondContact OD1-CB 3.37Å; N20-F22 VanDerWaalsContact OD1-CD2 3.26Å; N20-F22 WeakPolarHBondContact OD1-CD2 3.46Å; N20-F22 PolarHBondContact OD1-N 3.12Å; F22-L126 HydrophobicContact CE2-CD2 4.15Å; F22-L129 HydrophobicContact CD1-CB 4.27Å; F22-L129 HydrophobicContact CD1-CD1 4.09Å; F22-L129 HydrophobicContact CE1-CB 3.36Å; F22-L129 HydrophobicContact CE1-CD1 3.65Å; F22-L129 HydrophobicContact CE1-CG 4.18Å; F22-L129 HydrophobicContact CE2-CD1 4.19Å; F22-L129 HydrophobicContact CZ-CB 3.76Å; F22-L129 HydrophobicContact CZ-CD1 3.69Å; F22-L129 HydrophobicContact CZ-CG 4.42Å; F22-V130 HydrophobicContact CZ-CG2 4.34Å; F22-V158 HydrophobicContact CD2-CG1 4.43Å; F22-V158 HydrophobicContact CE2-CG1 4.49Å; F22-F159 HydrophobicContact CB-CD2 4.11Å; F22-F159 VanDerWaalsContact CB-O 3.29Å; F22-F159 WeakPolarHBondContact CB-O 3.31Å; F22-F159 AromaticContact CD1-CD2 3.98Å; F22-F159 HydrophobicContact CD1-CD2 3.98Å; F22-F159 HydrophobicContact CD1-CE2 4.41Å; F22-F159 HydrophobicContact CG-CD2 4.04Å
23	R	42.1	Very low	33.1	Very low	174 Å²	174	113.3 Å²	113.3	66%	0.657	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-74.9	135.6	179.7	-79	-170.8	172.2	-155.2	-2.9	113.9	P21	P21-R23 VanDerWaalsContact C-N 3.33Å; P21-R23 PolarHBondContact O-N 3.26Å
24	R	37	Very low	33.3	Very low	118 Å²	118	113.5 Å²	113.5	45%	0.445	62%	0.62	S	S	.	*	P	Polyproline II helix	trans	-79.3	141.1	166.3	-121.3	176.9	175.3	-167.8	-6.2	110	K141	R24-K141 PolarHBondContact NE-O 3.06Å; R24-K141 VanDerWaalsContact NE-O 3.1Å; R24-K141 PolarHBondContact NH2-O 3.47Å
25	C	27	Very low	33.4	Very low	117 Å²	117	114.5 Å²	114.5	79%	0.791	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-66.5	130.2	162.2	-66.1	0	0	0	0	108.8	F27	C25-F27 PolarHBondContact O-N 3.39Å
26	N	23.9	Very low	33.4	Very low	164 Å²	164	111 Å²	111	88%	0.877	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-60.4	127.6	172.9	-77.7	-24.8	0	0	0	109.3	S28	N26-S28 PolarHBondContact O-N 2.97Å
27	F	24.6	Very low	33	Very low	187 Å²	187	117.4 Å²	117.4	82%	0.82	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-68.4	123.3	169.4	-84.9	-91.2	0	0	0	109.3	C25	C25-F27 PolarHBondContact O-N 3.39Å
28	S	24.9	Very low	33	Very low	106 Å²	106	122.5 Å²	122.5	74%	0.741	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-84.3	152.3	164	52.4	0	0	0	0	110.7	N26	N26-S28 PolarHBondContact O-N 2.97Å
29	S	26	Very low	32.8	Very low	114 Å²	114	124.4 Å²	124.4	80%	0.797	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-46.6	138.3	172.5	49.8	0	0	0	0	114.7
30	D	29.1	Very low	32.6	Very low	159 Å²	159	120.7 Å²	120.7	85%	0.85	68%	0.678	S	S	*	*			trans	-149.8	139.9	142.6	-138.6	-12.7	0	0	0	112.9
31	S	26.6	Very low	32.3	Very low	110 Å²	110	128.1 Å²	128.1	77%	0.769	70%	0.703	S	S	*	*			trans	-85.7	148.3	-179.8	43.3	0	0	0	0	111.6
32	G	27.9	Very low	32.2	Very low	72 Å²	72	128.8 Å²	128.8	74%	0.742	70%	0.7	S	S	*	*			trans	166.1	102.7	165.8	0	0	0	0	0	114.4	S34	G32-S34 PolarHBondContact O-N 2.72Å
33	D	26.3	Very low	32.1	Very low	175 Å²	175	135.7 Å²	135.7	94%	0.936	73%	0.731	S	S	*	*			trans	-47.8	127.6	168.5	-81.7	-45.4	0	0	0	113
34	S	29.3	Very low	32.5	Very low	101 Å²	101	127.8 Å²	127.8	71%	0.706	70%	0.701	S	S	*	*			trans	-157.8	129.8	149.5	53.4	0	0	0	0	110.3	G32 C36	G32-S34 PolarHBondContact O-N 2.72Å; S34-C36 PolarHBondContact O-N 3.4Å
35	Q	28.3	Very low	33.1	Very low	209 Å²	209	122.8 Å²	122.8	98%	0.977	68%	0.684	S	S	*	*			trans	-59.9	100.5	175.4	-68.7	172.4	-5.9	0	0	109.6
36	C	29.6	Very low	34.3	Very low	107 Å²	107	123.5 Å²	123.5	72%	0.723	68%	0.68	S	S	*	*			trans	-124.2	120.5	175	-117.3	0	0	0	0	108.9	S34 T38	S34-C36 PolarHBondContact O-N 3.4Å; C36-T38 PolarHBondContact O-N 2.82Å
37	L	32	Very low	35.6	Very low	168 Å²	168	117.7 Å²	117.7	88%	0.88	65%	0.646	S	S	*	*			trans	-26.2	120.3	167.9	-66.7	157.5	0	0	0	110.8	K39	L37-K39 PolarHBondContact O-N 3.01Å
38	T	39	Very low	36.9	Very low	140 Å²	140	110.1 Å²	110.1	86%	0.859	61%	0.614	S	S	*	*			trans	-50.5	100.3	-173.4	48.8	0	0	0	0	110.4	C36	C36-T38 PolarHBondContact O-N 2.82Å
39	K	33.9	Very low	37.9	Very low	143 Å²	143	113.8 Å²	113.8	62%	0.622	62%	0.616	S	S	*	*			trans	-56.5	137.4	173.1	-77.7	-177.6	178.7	174.6	0	108.1	L37 R41	L37-K39 PolarHBondContact O-N 3.01Å; K39-R41 PolarHBondContact O-N 3.29Å; K39-R41 VanDerWaalsContact O-N 3.1Å
40	P	38.7	Very low	39	Very low	79 Å²	79	112.2 Å²	112.2	51%	0.513	61%	0.606	S	S	.	*			trans	-59.4	121.6	176.5	-16.5	27.7	0	0	0	108.9	Y42	P40-Y42 HydrophobicContact CB-CE1 4.01Å; P40-Y42 HydrophobicContact CB-CE2 4.13Å; P40-Y42 VanDerWaalsContact O-CD2 3.25Å; P40-Y42 WeakPolarHBondContact O-CD2 3.5Å; P40-Y42 VanDerWaalsContact O-CE2 3.24Å; P40-Y42 WeakPolarHBondContact O-CE2 3.46Å; P40-Y42 PolarHBondContact O-N 3.19Å
41	R	39	Very low	39.9	Very low	190 Å²	190	107.5 Å²	107.5	72%	0.717	58%	0.582	S	S	*	*			trans	-81.9	105.7	175.1	-91.5	-170.4	174.8	-178	7	108.3	K39 V51 D53	K39-R41 PolarHBondContact O-N 3.29Å; K39-R41 VanDerWaalsContact O-N 3.1Å; R41-V51 HydrophobicContact CB-CG1 3.36Å; R41-V51 HydrophobicContact CG-CG1 3.38Å; R41-D53 IonicContact NE-OD1 3.67Å
42	Y	43.1	Very low	41.3	Very low	56 Å²	56	103.4 Å²	103.4	22%	0.22	55%	0.553	C	S	.	*			trans	-84.6	141.5	-177.3	-57.3	-77.8	0	0	0	111.3	P40 W44 P56 V339	P40-Y42 HydrophobicContact CB-CE1 4.01Å; P40-Y42 HydrophobicContact CB-CE2 4.13Å; P40-Y42 VanDerWaalsContact O-CD2 3.25Å; P40-Y42 WeakPolarHBondContact O-CD2 3.5Å; P40-Y42 VanDerWaalsContact O-CE2 3.24Å; P40-Y42 WeakPolarHBondContact O-CE2 3.46Å; P40-Y42 PolarHBondContact O-N 3.19Å; Y42-W44 VanDerWaalsContact CB-CE2 3.45Å; Y42-W44 AromaticContact CD2-CZ2 3.82Å; Y42-W44 HydrophobicContact CD2-CZ2 3.82Å; Y42-W44 HydrophobicContact CG-CZ2 4.15Å; Y42-W44 PolarHBondContact O-NE1 3.45Å; Y42-P56 HydrophobicContact CD2-CG 4.2Å; Y42-P56 HydrophobicContact CE2-CG 4.4Å; Y42-P56 HydrophobicContact CG-CG 4.31Å; Y42-V339 HydrophobicContact CD1-CB 4.45Å; Y42-V339 HydrophobicContact CD1-CG1 3.91Å; Y42-V339 HydrophobicContact CD1-CG2 3.87Å; Y42-V339 HydrophobicContact CE1-CG2 4.29Å
43	K	45.6	Very low	42.8	Very low	161 Å²	161	104.2 Å²	104.2	70%	0.7	54%	0.54	S	S	*	.			trans	-101	105.2	167.8	-152.4	179.6	-173.9	-178.9	0	107.1
44	W	50.5	Low	44.9	Very low	8 Å²	8	99.5 Å²	99.5	3%	0.03	52%	0.515	C	S	.	.			trans	-84.6	-31.8	-156.9	-66	94.3	0	0	0	115.7	Y42 D48 T52 N54 P56 T59	Y42-W44 VanDerWaalsContact CB-CE2 3.45Å; Y42-W44 AromaticContact CD2-CZ2 3.82Å; Y42-W44 HydrophobicContact CD2-CZ2 3.82Å; Y42-W44 HydrophobicContact CG-CZ2 4.15Å; Y42-W44 PolarHBondContact O-NE1 3.45Å; W44-D48 HydrophobicContact CB-CB 4.1Å; W44-T52 VanDerWaalsContact CZ2-OG1 3.31Å; W44-T52 WeakPolarHBondContact CZ2-OG1 3.44Å; W44-T52 PolarHBondContact NE1-O 3.18Å; W44-T52 PolarHBondContact NE1-OG1 2.96Å; W44-N54 WeakPolarHBondContact CH2-O 3.32Å; W44-N54 WeakPolarHBondContact CZ2-O 3.45Å; W44-P56 HydrophobicContact CE3-CB 4.02Å; W44-P56 HydrophobicContact CE3-CG 4.03Å; W44-P56 HydrophobicContact CH2-CB 3.44Å; W44-P56 VanDerWaalsContact CH2-CB 3.44Å; W44-P56 HydrophobicContact CH2-CG 3.15Å; W44-P56 HydrophobicContact CZ2-CG 3.91Å; W44-P56 HydrophobicContact CZ3-CB 3.07Å; W44-P56 HydrophobicContact CZ3-CG 3.22Å; W44-T59 HydrophobicContact CH2-CG2 3.94Å; W44-T59 HydrophobicContact CZ3-CG2 4.14Å; W44-T59 WeakPolarHBondContact CZ3-OG1 3.23Å
45	A	50.2	Low	47.4	Very low	12 Å²	12	97.8 Å²	97.8	10%	0.099	50%	0.498	C	S	.	.	S	Bend	trans	-159.4	163.1	179.7	0	0	0	0	0	106.5	Y47 D48	A45-Y47 PolarHBondContact O-N 2.77Å; A45-D48 PolarHBondContact O-N 3.03Å
46	L	51	Low	50.1	Low	133 Å²	133	87.8 Å²	87.8	70%	0.696	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-20.3	175.4	-74.1	168.5	0	0	0	113.5	A331	L46-A331 HydrophobicContact CD1-CB 4.11Å
47	Y	53	Low	52.8	Low	42 Å²	42	87.8 Å²	87.8	17%	0.165	44%	0.44	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	-4.7	-170.9	-47.9	-61.5	0	0	0	115.4	A45 K49 I297 V302 L303 P304 A331	A45-Y47 PolarHBondContact O-N 2.77Å; Y47-K49 PolarHBondContact O-N 3.45Å; Y47-I297 HydrophobicContact CD2-CD1 3.27Å; Y47-I297 HydrophobicContact CD2-CG1 4.07Å; Y47-I297 HydrophobicContact CE2-CD1 3.71Å; Y47-I297 HydrophobicContact CE2-CG1 4.2Å; Y47-I297 HydrophobicContact CE2-CG2 4.31Å; Y47-I297 HydrophobicContact CG-CD1 3.77Å; Y47-V302 VanDerWaalsContact CZ-O 3.23Å; Y47-V302 WeakPolarHBondContact OH-CG1 3.33Å; Y47-V302 PolarHBondContact OH-O 3.16Å; Y47-L303 HydrophobicContact CE1-CD2 3.91Å; Y47-P304 HydrophobicContact CD1-CG 3.72Å; Y47-P304 HydrophobicContact CG-CG 3.75Å; Y47-A331 HydrophobicContact CE2-CB 3.61Å; Y47-A331 WeakPolarHBondContact OH-CB 3.4Å
48	D	51.3	Low	55.6	Low	27 Å²	27	86.7 Å²	86.7	14%	0.144	43%	0.428	C	S	.	.			trans	-77.4	110.7	177.3	-164.4	3.4	0	0	0	109.9	W44 A45 S50	W44-D48 HydrophobicContact CB-CB 4.1Å; A45-D48 PolarHBondContact O-N 3.03Å; D48-S50 WeakPolarHBondContact OD1-CA 2.82Å; D48-S50 PolarHBondContact OD1-N 3.42Å; D48-S50 PolarHBondContact OD1-OG 2.85Å
49	K	46	Very low	58.1	Low	183 Å²	183	80.1 Å²	80.1	80%	0.796	39%	0.388	S	S	*	.			trans	-89.3	-27.3	168.3	-74	-168.5	175	-169.8	0	111.5	Y47 V51	Y47-K49 PolarHBondContact O-N 3.45Å; K49-V51 PolarHBondContact O-N 3.04Å
50	S	49.1	Very low	61	Low	82 Å²	82	73.3 Å²	73.3	57%	0.573	36%	0.358	S	S	*	.	S	Bend	trans	-90.4	81.9	176.9	50	0	0	0	0	107.4	D48 T52	D48-S50 WeakPolarHBondContact OD1-CA 2.82Å; D48-S50 PolarHBondContact OD1-N 3.42Å; D48-S50 PolarHBondContact OD1-OG 2.85Å; S50-T52 VanDerWaalsContact C-N 3.32Å; S50-T52 WeakPolarHBondContact O-CG2 3.41Å; S50-T52 PolarHBondContact O-N 3.16Å
51	V	48.2	Very low	63.7	Low	60 Å²	60	69.6 Å²	69.6	36%	0.364	33%	0.334	S	S	.	.			trans	-42	105.1	164.2	176	0	0	0	0	108.2	R41 K49	R41-V51 HydrophobicContact CB-CG1 3.36Å; R41-V51 HydrophobicContact CG-CG1 3.38Å; K49-V51 PolarHBondContact O-N 3.04Å
52	T	55.9	Low	66.6	Low	24 Å²	24	60.6 Å²	60.6	15%	0.147	30%	0.3	C	S	.	.			trans	-83.8	133.1	178.8	77.6	0	0	0	0	107.1	W44 S50 N54	W44-T52 VanDerWaalsContact CZ2-OG1 3.31Å; W44-T52 WeakPolarHBondContact CZ2-OG1 3.44Å; W44-T52 PolarHBondContact NE1-O 3.18Å; W44-T52 PolarHBondContact NE1-OG1 2.96Å; S50-T52 VanDerWaalsContact C-N 3.32Å; S50-T52 WeakPolarHBondContact O-CG2 3.41Å; S50-T52 PolarHBondContact O-N 3.16Å; T52-N54 PolarHBondContact O-N 3.33Å
53	D	58.9	Low	69.2	Low	88 Å²	88	57.9 Å²	57.9	47%	0.471	29%	0.29	S	S	.	.			trans	-74.1	6.4	169.6	-67.7	-26.7	0	0	0	111.5	R41	R41-D53 IonicContact NE-OD1 3.67Å
54	N	70.2	Confident	71.7	Confident	77 Å²	77	50.2 Å²	50.2	41%	0.412	26%	0.256	S	S	.	.	S	Bend	trans	-72.4	145.7	-179.5	-70.7	-25.1	0	0	0	110.2	W44 T52 T59	W44-N54 WeakPolarHBondContact CH2-O 3.32Å; W44-N54 WeakPolarHBondContact CZ2-O 3.45Å; T52-N54 PolarHBondContact O-N 3.33Å; N54-T59 HydrophobicContact CB-CG2 3.88Å
55	D	82.6	Confident	74	Confident	64 Å²	64	49.9 Å²	49.9	34%	0.342	26%	0.255	S	S	.	.			trans	-67.5	131.5	169.1	169.2	1.3	0	0	0	109.6	H57 K58	D55-H57 PolarHBondContact O-N 2.88Å; D55-H57 VanDerWaalsContact O-N 3.14Å; D55-H57 IonicContact OD1-CD2 3.52Å; D55-H57 PolarHBondContact OD1-CD2 3.2Å; D55-H57 IonicContact OD1-CG 2.72Å; D55-H57 PolarHBondContact OD1-N 3.22Å; D55-K58 HydrophobicContact CB-CD 4.11Å; D55-K58 HydrophobicContact CB-CG 4.1Å; D55-K58 WeakPolarHBondContact O-CB 2.93Å; D55-K58 PolarHBondContact O-N 2.91Å
56	P	84.4	Confident	76.2	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-52.5	-36.1	179.8	-24.8	27.2	0	0	0	117	Y42 W44 K58 T59 V339 P340 P342	Y42-P56 HydrophobicContact CD2-CG 4.2Å; Y42-P56 HydrophobicContact CE2-CG 4.4Å; Y42-P56 HydrophobicContact CG-CG 4.31Å; W44-P56 HydrophobicContact CE3-CB 4.02Å; W44-P56 HydrophobicContact CE3-CG 4.03Å; W44-P56 HydrophobicContact CH2-CB 3.44Å; W44-P56 VanDerWaalsContact CH2-CB 3.44Å; W44-P56 HydrophobicContact CH2-CG 3.15Å; W44-P56 HydrophobicContact CZ2-CG 3.91Å; W44-P56 HydrophobicContact CZ3-CB 3.07Å; W44-P56 HydrophobicContact CZ3-CG 3.22Å; P56-K58 PolarHBondContact O-N 3.47Å; P56-K58 VanDerWaalsContact O-N 3.11Å; P56-T59 PolarHBondContact O-N 2.96Å; P56-T59 VanDerWaalsContact O-N 3.08Å; P56-T59 PolarHBondContact O-OG1 3.01Å; P56-V339 HydrophobicContact CG-CG1 4.31Å; P56-P340 HydrophobicContact CB-CB 4Å; P56-P340 HydrophobicContact CB-CG 3.9Å; P56-P340 VanDerWaalsContact CB-O 3.27Å; P56-P340 WeakPolarHBondContact CB-O 3.48Å; P56-P340 HydrophobicContact CG-CB 4.4Å; P56-P340 HydrophobicContact CG-CG 3.78Å; P56-P342 WeakPolarHBondContact O-CA 3.41Å
57	H	87.1	Confident	78.3	Confident	106 Å²	106	44.4 Å²	44.4	49%	0.491	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-62.7	-20.4	177.5	-66.5	-65.8	0	0	0	113.8	D55 P340	D55-H57 PolarHBondContact O-N 2.88Å; D55-H57 VanDerWaalsContact O-N 3.14Å; D55-H57 IonicContact OD1-CD2 3.52Å; D55-H57 PolarHBondContact OD1-CD2 3.2Å; D55-H57 IonicContact OD1-CG 2.72Å; D55-H57 PolarHBondContact OD1-N 3.22Å; H57-P340 WeakPolarHBondContact CE1-CB 3.49Å; H57-P340 WeakPolarHBondContact NE2-CB 3.38Å; H57-P340 WeakPolarHBondContact NE2-CG 3.48Å
58	K	89.2	Confident	80.2	Confident	146 Å²	146	44.9 Å²	44.9	64%	0.635	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-94.4	-7.2	179.8	-57.1	-175.3	-176.5	-178.7	0	113.6	D55 P56 N142	D55-K58 HydrophobicContact CB-CD 4.11Å; D55-K58 HydrophobicContact CB-CG 4.1Å; D55-K58 WeakPolarHBondContact O-CB 2.93Å; D55-K58 PolarHBondContact O-N 2.91Å; P56-K58 PolarHBondContact O-N 3.47Å; P56-K58 VanDerWaalsContact O-N 3.11Å; K58-N142 VanDerWaalsContact O-CB 3.26Å; K58-N142 WeakPolarHBondContact O-CB 3.32Å
59	T	92.3	Very high	82.3	Confident	1 Å²	1	44 Å²	44	1%	0.006	24%	0.237	C	C	.	.			trans	-96.4	162.9	177.4	65.5	0	0	0	0	111.1	W44 N54 P56 N142 V144 P342 R343	W44-T59 HydrophobicContact CH2-CG2 3.94Å; W44-T59 HydrophobicContact CZ3-CG2 4.14Å; W44-T59 WeakPolarHBondContact CZ3-OG1 3.23Å; N54-T59 HydrophobicContact CB-CG2 3.88Å; P56-T59 PolarHBondContact O-N 2.96Å; P56-T59 VanDerWaalsContact O-N 3.08Å; P56-T59 PolarHBondContact O-OG1 3.01Å; T59-N142 WeakPolarHBondContact CA-O 3.41Å; T59-V144 HydrophobicContact CG2-CG1 3.86Å; T59-P342 WeakPolarHBondContact O-CA 3.29Å; T59-P342 WeakPolarHBondContact O-CB 3.34Å; T59-P342 WeakPolarHBondContact OG1-CB 3.34Å; T59-R343 PolarHBondContact O-N 2.89Å
60	S	94.7	Very high	84.7	Confident	0 Å²	0	37 Å²	37	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	157.9	177.7	81.5	0	0	0	0	113.7	L139 N142 C143 V144 R343	S60-L139 WeakPolarHBondContact CB-O 3.36Å; S60-L139 PolarHBondContact OG-O 3.01Å; S60-N142 PolarHBondContact N-O 3.21Å; S60-C143 WeakPolarHBondContact O-CA 3.48Å; S60-C143 WeakPolarHBondContact OG-CA 3.39Å; S60-C143 WeakPolarHBondContact OG-CB 3.32Å; S60-C143 PolarHBondContact OG-N 2.9Å; S60-V144 WeakPolarHBondContact O-CG2 3.5Å; S60-V144 PolarHBondContact O-N 3.42Å; S60-R343 CarbonylContact C-O 3.59Å; S60-R343 WeakPolarHBondContact CA-O 3.4Å
61	I	96.3	Very high	86.9	Confident	2 Å²	2	37.4 Å²	37.4	1%	0.01	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	122	165.4	-61.9	-177.3	0	0	0	107.1	L63 V145 L332 Y333 P342 R343 T344 I345	I61-L63 HydrophobicContact CG2-CD2 3.7Å; I61-L63 HydrophobicContact CG2-CG 4.19Å; I61-V145 WeakPolarHBondContact CA-O 3.43Å; I61-V145 HydrophobicContact CB-CG1 4.47Å; I61-V145 HydrophobicContact CD1-CG1 3.75Å; I61-V145 HydrophobicContact CG1-CG1 3.64Å; I61-V145 HydrophobicContact CG2-CG1 4.25Å; I61-L332 HydrophobicContact CD1-CB 4.3Å; I61-L332 HydrophobicContact CG2-CD1 4.35Å; I61-Y333 HydrophobicContact CD1-CD1 4.4Å; I61-Y333 HydrophobicContact CD1-CE1 3.8Å; I61-P342 HydrophobicContact CD1-CG 3.52Å; I61-P342 HydrophobicContact CG1-CB 4.14Å; I61-P342 HydrophobicContact CG1-CG 3.61Å; I61-R343 PolarHBondContact N-O 2.78Å; I61-T344 CarbonylContact O-C 3.26Å; I61-T344 WeakPolarHBondContact O-CA 3.47Å; I61-I345 PolarHBondContact O-N 3.2Å
62	I	98.3	Very high	89.3	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	127.4	177.2	-56	-172.6	0	0	0	109.1	F64 L129 L132 I140 C143 T146 A147 F159 I345	I62-F64 HydrophobicContact CB-CE2 4.33Å; I62-F64 HydrophobicContact CG2-CD2 4.44Å; I62-F64 HydrophobicContact CG2-CE1 4.49Å; I62-F64 HydrophobicContact CG2-CE2 3.66Å; I62-F64 HydrophobicContact CG2-CZ 3.69Å; I62-L129 HydrophobicContact CD1-CD2 4.3Å; I62-L129 HydrophobicContact CG2-CD2 4.02Å; I62-L132 HydrophobicContact CD1-CD2 4.15Å; I62-I140 HydrophobicContact CD1-CG1 4.17Å; I62-C143 HydrophobicContact CD1-CB 4.26Å; I62-C143 HydrophobicContact CG1-CB 4.31Å; I62-T146 WeakPolarHBondContact O-CA 3.36Å; I62-T146 WeakPolarHBondContact O-CB 3.44Å; I62-T146 PolarHBondContact O-OG1 2.85Å; I62-A147 PolarHBondContact O-N 3.34Å; I62-F159 HydrophobicContact CB-CE1 4.22Å; I62-F159 HydrophobicContact CD1-CE1 3.99Å; I62-F159 HydrophobicContact CD1-CE2 4.31Å; I62-F159 HydrophobicContact CD1-CZ 3.63Å; I62-F159 HydrophobicContact CG1-CE1 4.45Å; I62-I345 CarbonylContact C-O 3.58Å; I62-I345 WeakPolarHBondContact CA-O 3.05Å; I62-I345 HydrophobicContact CG1-CB 4.29Å
63	L	98.8	Very high	91.2	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	138.2	-178	-57.2	-178.2	0	0	0	110.9	I61 A147 W325 L332 T344 I345 E346 S347 L353	I61-L63 HydrophobicContact CG2-CD2 3.7Å; I61-L63 HydrophobicContact CG2-CG 4.19Å; L63-A147 VanDerWaalsContact CA-O 3.31Å; L63-A147 WeakPolarHBondContact CA-O 3.42Å; L63-A147 HydrophobicContact CD2-CB 4.1Å; L63-W325 HydrophobicContact CD1-CZ2 4.28Å; L63-W325 HydrophobicContact CD2-CH2 4.17Å; L63-L332 HydrophobicContact CD2-CD1 3.92Å; L63-T344 HydrophobicContact CD1-CG2 3.68Å; L63-T344 HydrophobicContact CG-CG2 4.05Å; L63-I345 PolarHBondContact N-O 3.22Å; L63-E346 WeakPolarHBondContact O-CA 3.42Å; L63-S347 PolarHBondContact O-N 3.36Å; L63-L353 HydrophobicContact CB-CD1 3.71Å; L63-L353 HydrophobicContact CD1-CB 4.5Å
64	F	98.8	Very high	92.9	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	118.8	-175.3	-68.3	-86.6	0	0	0	111.6	I62 L129 T146 A147 G148 F149 G152 S155 A156 F159 L353	I62-F64 HydrophobicContact CB-CE2 4.33Å; I62-F64 HydrophobicContact CG2-CD2 4.44Å; I62-F64 HydrophobicContact CG2-CE1 4.49Å; I62-F64 HydrophobicContact CG2-CE2 3.66Å; I62-F64 HydrophobicContact CG2-CZ 3.69Å; F64-L129 HydrophobicContact CE1-CD1 3.71Å; F64-L129 HydrophobicContact CE1-CD2 4.08Å; F64-L129 HydrophobicContact CE1-CG 3.97Å; F64-L129 HydrophobicContact CZ-CD1 3.73Å; F64-L129 HydrophobicContact CZ-CD2 3.84Å; F64-L129 HydrophobicContact CZ-CG 4.12Å; F64-T146 WeakPolarHBondContact CD2-OG1 3.12Å; F64-T146 VanDerWaalsContact CE2-OG1 3.23Å; F64-T146 WeakPolarHBondContact CE2-OG1 3.45Å; F64-A147 PolarHBondContact N-O 3.45Å; F64-G148 CarbonylContact O-C 3.46Å; F64-G148 WeakPolarHBondContact O-CA 3.49Å; F64-F149 PolarHBondContact O-N 3.4Å; F64-G152 VanDerWaalsContact CB-O 3.31Å; F64-G152 WeakPolarHBondContact CB-O 3.37Å; F64-S155 VanDerWaalsContact CD1-CB 3.44Å; F64-A156 HydrophobicContact CD2-CB 3.6Å; F64-A156 HydrophobicContact CE2-CB 4.08Å; F64-A156 HydrophobicContact CG-CB 4.32Å; F64-F159 HydrophobicContact CE1-CB 4.44Å; F64-F159 HydrophobicContact CE2-CB 4.03Å; F64-F159 AromaticContact CE2-CD1 3.83Å; F64-F159 HydrophobicContact CE2-CD1 3.83Å; F64-F159 HydrophobicContact CE2-CG 4.12Å; F64-F159 HydrophobicContact CZ-CB 3.59Å; F64-F159 AromaticContact CZ-CD1 3.88Å; F64-F159 HydrophobicContact CZ-CD1 3.88Å; F64-F159 AromaticContact CZ-CG 3.72Å; F64-F159 HydrophobicContact CZ-CG 3.72Å; F64-L353 VanDerWaalsContact C-CD1 3.49Å
65	P	98.4	Very high	93.9	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.162	C	C	.	.			trans	-71.7	160.5	-176.5	32.2	-35.8	0	0	0	112.1	S69 T121 G152 S347 L353	P65-S69 WeakPolarHBondContact CB-OG 3.42Å; P65-T121 HydrophobicContact CG-CG2 4.48Å; P65-G152 WeakPolarHBondContact O-CA 3.26Å; P65-S347 VanDerWaalsContact CD-O 3.25Å; P65-S347 WeakPolarHBondContact CD-O 3.47Å; P65-L353 HydrophobicContact CB-CD1 4.24Å; P65-L353 HydrophobicContact CB-CG 4.26Å
66	G	96.7	Very high	94.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.175	C	C	.	.			trans	-111.2	-167.8	177.3	0	0	0	0	0	114.3	G68 S69 F149 Q352	G66-G68 PolarHBondContact O-N 3.08Å; G66-S69 PolarHBondContact O-N 3.36Å; G66-S69 PolarHBondContact O-OG 3.39Å; G66-F149 WeakPolarHBondContact CA-O 3.4Å; G66-F149 PolarHBondContact N-O 3.38Å; G66-Q352 PolarHBondContact O-NE2 2.96Å
67	Q	94.8	Very high	94.6	Very high	30 Å²	30	36.3 Å²	36.3	14%	0.14	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	137.2	175.9	-179.8	168.9	-23.9	0	0	110.7	C117 L151	Q67-C117 VanDerWaalsContact CD-SG 3.54Å; Q67-L151 HydrophobicContact CB-CD2 3.93Å; Q67-L151 VanDerWaalsContact N-CD2 3.31Å
68	G	93.2	Very high	94.8	Very high	52 Å²	52	31.3 Å²	31.3	54%	0.536	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	105.8	-13.8	-175.3	0	0	0	0	0	114.4	G66 H70	G66-G68 PolarHBondContact O-N 3.08Å; G68-H70 PolarHBondContact N-CE1 3.15Å; G68-H70 PolarHBondContact N-ND1 2.96Å
69	S	95	Very high	94.9	Very high	8 Å²	8	26.2 Å²	26.2	6%	0.056	15%	0.147	C	C	.	.			trans	-94.8	-6.9	175.6	71.5	0	0	0	0	115.5	P65 G66 P349	P65-S69 WeakPolarHBondContact CB-OG 3.42Å; G66-S69 PolarHBondContact O-N 3.36Å; G66-S69 PolarHBondContact O-OG 3.39Å; S69-P349 WeakPolarHBondContact CB-O 3.36Å; S69-P349 CarbonylContact O-C 3.24Å; S69-P349 WeakPolarHBondContact O-CB 3.47Å; S69-P349 PolarHBondContact OG-O 3.15Å
70	H	95.3	Very high	94.8	Very high	36 Å²	36	33.1 Å²	33.1	17%	0.167	18%	0.177	C	C	.	.			trans	-68.1	147	177	53.3	-87.5	0	0	0	111.4	G68 M74 L111 C117	G68-H70 PolarHBondContact N-CE1 3.15Å; G68-H70 PolarHBondContact N-ND1 2.96Å; H70-M74 HydrophobicContact CB-CE 3.88Å; H70-M74 HydrophobicContact CB-SD 3.85Å; H70-L111 HydrophobicContact CB-CD2 4.33Å; H70-L111 HydrophobicContact CB-CG 4.4Å; H70-C117 WeakPolarHBondContact CE1-CB 3.11Å; H70-C117 VanDerWaalsContact ND1-CB 3.33Å; H70-C117 WeakPolarHBondContact ND1-CB 3.44Å
71	F	96.3	Very high	94.5	Very high	91 Å²	91	35.5 Å²	35.5	40%	0.399	19%	0.19	S	C	.	.			trans	-149.3	152.5	174.2	58.8	-86.4	0	0	0	109.6	G73 M74 P349 M373	F71-G73 PolarHBondContact O-N 3.23Å; F71-M74 HydrophobicContact CD1-CB 4.16Å; F71-M74 HydrophobicContact CD2-CB 4.03Å; F71-M74 HydrophobicContact CE1-CB 3.82Å; F71-M74 HydrophobicContact CE2-CB 3.68Å; F71-M74 HydrophobicContact CG-CB 4.26Å; F71-M74 HydrophobicContact CZ-CB 3.56Å; F71-M74 WeakPolarHBondContact O-CB 3.41Å; F71-M74 WeakPolarHBondContact O-CG 3.26Å; F71-M74 PolarHBondContact O-N 3.37Å; F71-P349 HydrophobicContact CD1-CB 4.21Å; F71-P349 HydrophobicContact CE1-CB 3.83Å; F71-M373 HydrophobicContact CZ-CB 4.28Å
72	V	97.4	Very high	94.3	Very high	60 Å²	60	39.9 Å²	39.9	36%	0.364	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	133.7	174.5	176.4	0	0	0	0	109.1	C103 E105 A108 L111	V72-C103 CarbonylContact C-O 3.38Å; V72-C103 WeakPolarHBondContact CA-O 3Å; V72-E105 VanDerWaalsContact CG1-C 3.48Å; V72-A108 HydrophobicContact CG2-CB 3.91Å; V72-L111 HydrophobicContact CG2-CD2 4.1Å
73	G	96	Very high	93.9	Very high	24 Å²	24	45 Å²	45	25%	0.247	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.7	-5.2	-174.2	0	0	0	0	0	114.1	F71 K76 C103 L104	F71-G73 PolarHBondContact O-N 3.23Å; G73-K76 WeakPolarHBondContact O-CB 3.42Å; G73-K76 PolarHBondContact O-N 2.74Å; G73-C103 PolarHBondContact N-O 3.4Å; G73-L104 WeakPolarHBondContact CA-O 3.33Å; G73-L104 PolarHBondContact N-O 3.14Å
74	M	95	Very high	93.6	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	140.1	176.3	70.6	-173.6	179.9	0	0	111.5	H70 F71 C103 L111 A120 I124 P349	H70-M74 HydrophobicContact CB-CE 3.88Å; H70-M74 HydrophobicContact CB-SD 3.85Å; F71-M74 HydrophobicContact CD1-CB 4.16Å; F71-M74 HydrophobicContact CD2-CB 4.03Å; F71-M74 HydrophobicContact CE1-CB 3.82Å; F71-M74 HydrophobicContact CE2-CB 3.68Å; F71-M74 HydrophobicContact CG-CB 4.26Å; F71-M74 HydrophobicContact CZ-CB 3.56Å; F71-M74 WeakPolarHBondContact O-CB 3.41Å; F71-M74 WeakPolarHBondContact O-CG 3.26Å; F71-M74 PolarHBondContact O-N 3.37Å; M74-C103 HydrophobicContact CE-CB 3.98Å; M74-C103 WeakPolarHBondContact CE-SG 3.44Å; M74-C103 HydrophobicContact CG-CB 4.09Å; M74-L111 HydrophobicContact CE-CD1 3.89Å; M74-L111 HydrophobicContact CE-CD2 4.13Å; M74-A120 HydrophobicContact CE-CB 3.56Å; M74-I124 HydrophobicContact CE-CG1 4.13Å; M74-I124 HydrophobicContact CG-CD1 4.14Å; M74-I124 HydrophobicContact CG-CG1 4.08Å; M74-I124 HydrophobicContact SD-CG1 4.19Å; M74-P349 HydrophobicContact CB-CB 4.31Å; M74-P349 HydrophobicContact SD-CB 3.69Å; M74-P349 HydrophobicContact SD-CG 3.88Å
75	G	92	Very high	93.2	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.1	3	179.6	0	0	0	0	0	114.7	D77 L78 I79 M373	G75-D77 VanDerWaalsContact C-N 3.28Å; G75-D77 PolarHBondContact O-N 3.22Å; G75-L78 PolarHBondContact O-N 3.2Å; G75-I79 WeakPolarHBondContact O-CG2 3.32Å; G75-I79 PolarHBondContact O-N 3.36Å; G75-M373 WeakPolarHBondContact CA-OXT 3.31Å; G75-M373 PolarHBondContact N-OXT 2.84Å
76	K	92.5	Very high	92.9	Very high	144 Å²	144	54.5 Å²	54.5	63%	0.626	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-38.3	178.1	-175.7	179.7	178.6	-178	0	111.9	G73 I79 L104 M373	G73-K76 WeakPolarHBondContact O-CB 3.42Å; G73-K76 PolarHBondContact O-N 2.74Å; K76-I79 VanDerWaalsContact O-CG1 3.32Å; K76-I79 WeakPolarHBondContact O-CG1 3.32Å; K76-L104 HydrophobicContact CB-CD2 4.15Å; K76-M373 PolarHBondContact N-OXT 2.63Å
77	D	89.3	Confident	92.7	Very high	63 Å²	63	54.8 Å²	54.8	34%	0.337	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-31.2	175.7	-73.9	-31.7	0	0	0	111.7	G75 K80 M373	G75-D77 VanDerWaalsContact C-N 3.28Å; G75-D77 PolarHBondContact O-N 3.22Å; D77-K80 WeakPolarHBondContact O-CB 3.46Å; D77-K80 WeakPolarHBondContact O-CG 3.48Å; D77-K80 PolarHBondContact O-N 3.41Å; D77-K80 IonicContact OD1-NZ 2.88Å; D77-K80 PolarHBondContact OD1-NZ 3.26Å; D77-M373 PolarHBondContact N-OXT 3.35Å
78	L	90.8	Very high	92.6	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-64.3	-41.6	178.6	-64.1	-179.8	0	0	0	113.3	G75 K80 L81 I84 I124 A127 K131 M373	G75-L78 PolarHBondContact O-N 3.2Å; L78-K80 PolarHBondContact O-N 2.96Å; L78-L81 PolarHBondContact O-N 3.39Å; L78-L81 VanDerWaalsContact O-N 3.08Å; L78-I84 HydrophobicContact CB-CD1 3.92Å; L78-I84 HydrophobicContact CB-CG2 4.17Å; L78-I84 HydrophobicContact CD2-CD1 4.21Å; L78-I84 WeakPolarHBondContact O-CD1 3.28Å; L78-I124 HydrophobicContact CD1-CD1 4.3Å; L78-I124 HydrophobicContact CD1-CG2 4.02Å; L78-A127 HydrophobicContact CD1-CB 3.87Å; L78-K131 HydrophobicContact CD2-CB 3.73Å; L78-K131 HydrophobicContact CD2-CD 3.57Å; L78-K131 HydrophobicContact CD2-CG 4.29Å; L78-M373 HydrophobicContact CD1-SD 3.81Å; L78-M373 PolarHBondContact N-OXT 2.97Å
79	I	90.9	Very high	92.5	Very high	39 Å²	39	56.4 Å²	56.4	20%	0.2	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-65.5	-6.3	-177.4	58.4	165.3	0	0	0	114.8	G75 K76 L81 K85 F88 L100 L104	G75-I79 WeakPolarHBondContact O-CG2 3.32Å; G75-I79 PolarHBondContact O-N 3.36Å; K76-I79 VanDerWaalsContact O-CG1 3.32Å; K76-I79 WeakPolarHBondContact O-CG1 3.32Å; I79-L81 PolarHBondContact O-N 2.9Å; I79-K85 WeakPolarHBondContact O-CE 3.3Å; I79-F88 HydrophobicContact CG2-CD2 4.44Å; I79-F88 HydrophobicContact CG2-CE2 4.37Å; I79-L100 HydrophobicContact CG2-CD1 3.6Å; I79-L100 HydrophobicContact CG2-CD2 4.21Å; I79-L104 HydrophobicContact CD1-CD1 3.91Å
80	K	90	Very high	92.3	Very high	147 Å²	147	56.2 Å²	56.2	64%	0.639	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-63.7	-24.8	171.2	-65.5	171	178.8	163	0	111.6	D77 L78	D77-K80 WeakPolarHBondContact O-CB 3.46Å; D77-K80 WeakPolarHBondContact O-CG 3.48Å; D77-K80 PolarHBondContact O-N 3.41Å; D77-K80 IonicContact OD1-NZ 2.88Å; D77-K80 PolarHBondContact OD1-NZ 3.26Å; L78-K80 PolarHBondContact O-N 2.96Å
81	L	89.4	Confident	92.2	Very high	50 Å²	50	54.5 Å²	54.5	26%	0.262	27%	0.269	S	S	.	.	S	Bend	trans	-87.2	124.9	178	-60.2	177	0	0	0	111.5	L78 I79 K83 I84 K85 V130 K131	L78-L81 PolarHBondContact O-N 3.39Å; L78-L81 VanDerWaalsContact O-N 3.08Å; I79-L81 PolarHBondContact O-N 2.9Å; L81-K83 VanDerWaalsContact C-N 3.32Å; L81-K83 PolarHBondContact O-N 2.94Å; L81-I84 HydrophobicContact CB-CB 4.41Å; L81-I84 HydrophobicContact CB-CD1 3.96Å; L81-I84 HydrophobicContact CB-CG1 4.13Å; L81-I84 HydrophobicContact CD1-CD1 3.78Å; L81-I84 HydrophobicContact CG-CD1 4.32Å; L81-I84 WeakPolarHBondContact O-CB 3.36Å; L81-I84 PolarHBondContact O-N 3.25Å; L81-K85 PolarHBondContact O-N 3.49Å; L81-V130 HydrophobicContact CD1-CG1 4.44Å; L81-K131 HydrophobicContact CD1-CB 4Å
82	P	90.6	Very high	92	Very high	94 Å²	94	52.1 Å²	52.1	61%	0.61	26%	0.26	S	S	*	.	H	α-helix	trans	-56.1	-39.8	-178.7	-28.5	35.4	0	0	0	114.6	I84 K85 Q86	P82-I84 PolarHBondContact O-N 2.8Å; P82-K85 WeakPolarHBondContact O-CB 3.32Å; P82-K85 PolarHBondContact O-N 3.16Å; P82-K85 VanDerWaalsContact O-N 3.14Å; P82-Q86 PolarHBondContact O-N 3.08Å
83	K	91.1	Very high	91.5	Very high	107 Å²	107	55.3 Å²	55.3	47%	0.465	27%	0.271	S	S	.	.	H	α-helix	trans	-56.8	-37.2	176.6	-67.4	175.7	-173.5	161.6	0	112.1	L81 Q86 M87 V130 E134	L81-K83 VanDerWaalsContact C-N 3.32Å; L81-K83 PolarHBondContact O-N 2.94Å; K83-Q86 PolarHBondContact O-N 3.11Å; K83-M87 WeakPolarHBondContact O-CG 3.37Å; K83-M87 PolarHBondContact O-N 2.88Å; K83-M87 VanDerWaalsContact O-N 3.14Å; K83-V130 HydrophobicContact CB-CG1 4.12Å; K83-V130 HydrophobicContact CD-CG1 4.16Å; K83-E134 IonicContact NZ-OE1 3.11Å; K83-E134 PolarHBondContact NZ-OE1 3.24Å
84	I	91.9	Very high	91.1	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-72.5	-37.1	-179.1	-65.7	177.2	0	0	0	110.4	L78 L81 P82 Q86 M87 F88 A127 V130	L78-I84 HydrophobicContact CB-CD1 3.92Å; L78-I84 HydrophobicContact CB-CG2 4.17Å; L78-I84 HydrophobicContact CD2-CD1 4.21Å; L78-I84 WeakPolarHBondContact O-CD1 3.28Å; L81-I84 HydrophobicContact CB-CB 4.41Å; L81-I84 HydrophobicContact CB-CD1 3.96Å; L81-I84 HydrophobicContact CB-CG1 4.13Å; L81-I84 HydrophobicContact CD1-CD1 3.78Å; L81-I84 HydrophobicContact CG-CD1 4.32Å; L81-I84 WeakPolarHBondContact O-CB 3.36Å; L81-I84 PolarHBondContact O-N 3.25Å; P82-I84 PolarHBondContact O-N 2.8Å; I84-Q86 VanDerWaalsContact C-N 3.3Å; I84-Q86 PolarHBondContact O-N 3.2Å; I84-M87 HydrophobicContact CG1-SD 4.47Å; I84-M87 WeakPolarHBondContact O-CB 3.25Å; I84-M87 PolarHBondContact O-N 3.48Å; I84-F88 HydrophobicContact CG2-CD2 3.95Å; I84-F88 HydrophobicContact CG2-CE2 3.86Å; I84-F88 VanDerWaalsContact O-CD2 3.32Å; I84-F88 WeakPolarHBondContact O-CD2 3.42Å; I84-F88 PolarHBondContact O-N 3.27Å; I84-F88 VanDerWaalsContact O-N 3.15Å; I84-A127 HydrophobicContact CB-CB 4.44Å; I84-A127 HydrophobicContact CD1-CB 3.95Å; I84-A127 VanDerWaalsContact CD1-O 3.23Å; I84-A127 WeakPolarHBondContact CD1-O 3.26Å; I84-A127 HydrophobicContact CG1-CB 4Å; I84-A127 HydrophobicContact CG2-CB 3.7Å; I84-V130 HydrophobicContact CD1-CB 4.12Å; I84-V130 HydrophobicContact CD1-CG1 4.24Å; I84-V130 HydrophobicContact CG1-CB 4.05Å; I84-V130 HydrophobicContact CG1-CG1 4Å
85	K	91.5	Very high	90.9	Very high	110 Å²	110	58.2 Å²	58.2	48%	0.478	28%	0.28	S	S	.	.	H	α-helix	trans	-59.1	-41.8	172.5	-63.7	-173.6	-177.4	-178.6	0	111.7	I79 L81 P82 F88 Q89	I79-K85 WeakPolarHBondContact O-CE 3.3Å; L81-K85 PolarHBondContact O-N 3.49Å; P82-K85 WeakPolarHBondContact O-CB 3.32Å; P82-K85 PolarHBondContact O-N 3.16Å; P82-K85 VanDerWaalsContact O-N 3.14Å; K85-F88 PolarHBondContact O-N 3.18Å; K85-Q89 WeakPolarHBondContact O-CG 3.36Å; K85-Q89 PolarHBondContact O-N 2.85Å
86	Q	91.3	Very high	90.7	Very high	90 Å²	90	69.3 Å²	69.3	42%	0.421	32%	0.322	S	S	.	.	H	α-helix	trans	-63.1	-40.9	176.5	-67.7	172.4	-13.9	0	0	112.3	P82 K83 I84 F88 Q89 C90	P82-Q86 PolarHBondContact O-N 3.08Å; K83-Q86 PolarHBondContact O-N 3.11Å; I84-Q86 VanDerWaalsContact C-N 3.3Å; I84-Q86 PolarHBondContact O-N 3.2Å; Q86-F88 VanDerWaalsContact C-N 3.3Å; Q86-F88 PolarHBondContact O-N 3.33Å; Q86-Q89 PolarHBondContact O-N 3.33Å; Q86-C90 WeakPolarHBondContact O-CB 3.29Å; Q86-C90 PolarHBondContact O-N 2.54Å
87	M	93.5	Very high	90.6	Very high	5 Å²	5	64 Å²	64	3%	0.025	30%	0.302	C	S	.	.	H	α-helix	trans	-57.4	-43.3	174.2	-68.1	171.7	67.7	0	0	112	L17 K83 I84 A91 L126 A127 V130 Y165	L17-M87 HydrophobicContact CD1-CG 4.07Å; L17-M87 HydrophobicContact CD2-CG 4.48Å; K83-M87 WeakPolarHBondContact O-CG 3.37Å; K83-M87 PolarHBondContact O-N 2.88Å; K83-M87 VanDerWaalsContact O-N 3.14Å; I84-M87 HydrophobicContact CG1-SD 4.47Å; I84-M87 WeakPolarHBondContact O-CB 3.25Å; I84-M87 PolarHBondContact O-N 3.48Å; M87-A91 WeakPolarHBondContact O-CB 3.44Å; M87-A91 PolarHBondContact O-N 3.42Å; M87-L126 HydrophobicContact CE-CB 3.58Å; M87-A127 HydrophobicContact CE-CB 4.44Å; M87-V130 HydrophobicContact SD-CG2 3.89Å; M87-Y165 HydrophobicContact CE-CD2 4.26Å; M87-Y165 HydrophobicContact CE-CE2 3.78Å; M87-Y165 PolarHBondContact O-OH 2.88Å
88	F	92.9	Very high	90.8	Very high	2 Å²	2	64.5 Å²	64.5	1%	0.009	30%	0.304	C	S	.	.	H	α-helix	trans	-69	-37.2	176.8	-84.3	-76	0	0	0	113.1	I79 I84 K85 Q86 A91 N92 I99 L100 I123 I124	I79-F88 HydrophobicContact CG2-CD2 4.44Å; I79-F88 HydrophobicContact CG2-CE2 4.37Å; I84-F88 HydrophobicContact CG2-CD2 3.95Å; I84-F88 HydrophobicContact CG2-CE2 3.86Å; I84-F88 VanDerWaalsContact O-CD2 3.32Å; I84-F88 WeakPolarHBondContact O-CD2 3.42Å; I84-F88 PolarHBondContact O-N 3.27Å; I84-F88 VanDerWaalsContact O-N 3.15Å; K85-F88 PolarHBondContact O-N 3.18Å; Q86-F88 VanDerWaalsContact C-N 3.3Å; Q86-F88 PolarHBondContact O-N 3.33Å; F88-A91 PolarHBondContact O-N 3.22Å; F88-N92 WeakPolarHBondContact O-CB 3.47Å; F88-N92 PolarHBondContact O-N 3.21Å; F88-N92 PolarHBondContact O-OD1 3.11Å; F88-I99 HydrophobicContact CD1-CG2 3.8Å; F88-I99 HydrophobicContact CE1-CG2 4.12Å; F88-L100 HydrophobicContact CB-CB 4.11Å; F88-L100 HydrophobicContact CB-CD2 4.19Å; F88-L100 HydrophobicContact CD1-CB 3.51Å; F88-L100 HydrophobicContact CD1-CD1 3.82Å; F88-L100 HydrophobicContact CD1-CG 4.17Å; F88-L100 HydrophobicContact CD2-CD1 3.87Å; F88-L100 HydrophobicContact CE1-CB 4.07Å; F88-L100 HydrophobicContact CE1-CD1 3.78Å; F88-L100 HydrophobicContact CE2-CD1 3.86Å; F88-L100 HydrophobicContact CG-CB 3.89Å; F88-L100 HydrophobicContact CG-CD1 3.86Å; F88-L100 HydrophobicContact CG-CD2 4.26Å; F88-L100 HydrophobicContact CG-CG 4.21Å; F88-L100 HydrophobicContact CZ-CD1 3.8Å; F88-I123 HydrophobicContact CD1-CG2 3.9Å; F88-I123 HydrophobicContact CD2-CG2 4.2Å; F88-I123 HydrophobicContact CE1-CB 4.35Å; F88-I123 HydrophobicContact CE1-CG2 3.62Å; F88-I123 HydrophobicContact CE2-CG2 3.91Å; F88-I123 HydrophobicContact CG-CG2 4.19Å; F88-I123 HydrophobicContact CZ-CB 4.49Å; F88-I123 HydrophobicContact CZ-CG2 3.61Å; F88-I124 HydrophobicContact CE2-CD1 4.37Å; F88-I124 HydrophobicContact CZ-CD1 3.67Å; F88-I124 HydrophobicContact CZ-CG1 4.31Å
89	Q	90.3	Very high	91	Very high	114 Å²	114	64.5 Å²	64.5	53%	0.533	30%	0.304	S	S	.	.	H	α-helix	trans	-61.1	-51.2	174.6	-73.6	168.9	-21.7	0	0	111.1	K85 Q86 A91 N92 E93	K85-Q89 WeakPolarHBondContact O-CG 3.36Å; K85-Q89 PolarHBondContact O-N 2.85Å; Q86-Q89 PolarHBondContact O-N 3.33Å; Q89-A91 PolarHBondContact O-N 3.38Å; Q89-N92 PolarHBondContact O-N 3.45Å; Q89-N92 VanDerWaalsContact O-N 3.12Å; Q89-E93 PolarHBondContact O-N 3.42Å; Q89-E93 VanDerWaalsContact O-N 3.16Å
90	C	91.2	Very high	91.1	Very high	4 Å²	4	64.2 Å²	64.2	3%	0.027	30%	0.303	C	S	.	.	H	α-helix	trans	-55.1	-42.4	173.6	180	0	0	0	0	111.8	C16 Q86 E93 I94 Y165	C16-C90 HydrophobicContact CB-CB 3.65Å; C16-C90 WeakPolarHBondContact CB-SG 3.46Å; Q86-C90 WeakPolarHBondContact O-CB 3.29Å; Q86-C90 PolarHBondContact O-N 2.54Å; C90-E93 PolarHBondContact O-N 3.12Å; C90-I94 PolarHBondContact O-N 2.86Å; C90-Y165 HydrophobicContact CB-CE1 4.15Å
91	A	92.8	Very high	91.4	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-66	-40.3	178.1	0	0	0	0	0	113.3	M87 F88 Q89 E93 I94 L95 I99 I123 L169	M87-A91 WeakPolarHBondContact O-CB 3.44Å; M87-A91 PolarHBondContact O-N 3.42Å; F88-A91 PolarHBondContact O-N 3.22Å; Q89-A91 PolarHBondContact O-N 3.38Å; A91-E93 VanDerWaalsContact C-N 3.29Å; A91-E93 PolarHBondContact O-N 2.66Å; A91-I94 PolarHBondContact O-N 3.1Å; A91-L95 HydrophobicContact CB-CD1 4.22Å; A91-L95 WeakPolarHBondContact O-CB 3.35Å; A91-L95 WeakPolarHBondContact O-CG 3.43Å; A91-L95 PolarHBondContact O-N 2.85Å; A91-I99 HydrophobicContact CB-CG2 4.15Å; A91-I123 HydrophobicContact CB-CD1 3.38Å; A91-I123 HydrophobicContact CB-CG1 4.1Å; A91-L169 HydrophobicContact CB-CD2 3.87Å
92	N	91.2	Very high	91.7	Very high	42 Å²	42	61.9 Å²	61.9	23%	0.225	29%	0.287	C	S	.	.	H	α-helix	trans	-62.5	-37.8	179	-75.5	-6	0	0	0	111.6	F88 Q89 R96 T97 D98 I99	F88-N92 WeakPolarHBondContact O-CB 3.47Å; F88-N92 PolarHBondContact O-N 3.21Å; F88-N92 PolarHBondContact O-OD1 3.11Å; Q89-N92 PolarHBondContact O-N 3.45Å; Q89-N92 VanDerWaalsContact O-N 3.12Å; N92-R96 VanDerWaalsContact O-CA 3.28Å; N92-R96 WeakPolarHBondContact O-CA 3Å; N92-R96 PolarHBondContact O-N 2.94Å; N92-T97 WeakPolarHBondContact CA-O 3.23Å; N92-T97 PolarHBondContact O-N 3.05Å; N92-T97 PolarHBondContact OD1-O 3.39Å; N92-D98 PolarHBondContact ND2-OD1 3.42Å; N92-I99 WeakPolarHBondContact OD1-CG2 3.39Å; N92-I99 PolarHBondContact OD1-N 3.19Å
93	E	87.9	Confident	92	Very high	127 Å²	127	57.4 Å²	57.4	59%	0.593	26%	0.258	S	S	*	.	H	α-helix	trans	-64.5	-47.1	175.6	-68.7	174.8	-170.7	0	0	111.9	Q89 C90 A91	Q89-E93 PolarHBondContact O-N 3.42Å; Q89-E93 VanDerWaalsContact O-N 3.16Å; C90-E93 PolarHBondContact O-N 3.12Å; A91-E93 VanDerWaalsContact C-N 3.29Å; A91-E93 PolarHBondContact O-N 2.66Å
94	I	87.4	Confident	92.2	Very high	56 Å²	56	54.4 Å²	54.4	29%	0.287	25%	0.247	S	C	.	.	H	α-helix	trans	-71.1	-40.9	-178.3	-68.9	166.3	0	0	0	111.8	C90 A91 L169	C90-I94 PolarHBondContact O-N 2.86Å; A91-I94 PolarHBondContact O-N 3.1Å; I94-L169 HydrophobicContact CB-CD2 3.94Å; I94-L169 HydrophobicContact CD1-CD2 3.67Å; I94-L169 HydrophobicContact CG1-CD2 4.38Å; I94-L169 HydrophobicContact CG2-CD2 4Å; I94-L169 HydrophobicContact CG2-CG 4.18Å
95	L	90.6	Very high	92.4	Very high	28 Å²	28	60.2 Å²	60.2	15%	0.147	27%	0.274	C	S	.	.	H	α-helix	trans	-85.6	-12	-177	-59.6	172.3	0	0	0	113	A91 T97 I99 P119 I123 L169 R173	A91-L95 HydrophobicContact CB-CD1 4.22Å; A91-L95 WeakPolarHBondContact O-CB 3.35Å; A91-L95 WeakPolarHBondContact O-CG 3.43Å; A91-L95 PolarHBondContact O-N 2.85Å; L95-T97 HydrophobicContact CB-CG2 3.79Å; L95-T97 PolarHBondContact O-N 3.31Å; L95-I99 HydrophobicContact CD1-CB 4.02Å; L95-I99 HydrophobicContact CD1-CG1 4.14Å; L95-I99 HydrophobicContact CD1-CG2 4.08Å; L95-P119 HydrophobicContact CD1-CB 3.53Å; L95-P119 HydrophobicContact CD1-CG 4.26Å; L95-P119 HydrophobicContact CD2-CB 3.92Å; L95-P119 HydrophobicContact CD2-CG 3.88Å; L95-P119 HydrophobicContact CG-CB 4.39Å; L95-I123 HydrophobicContact CD1-CD1 4.17Å; L95-L169 HydrophobicContact CD1-CD1 4.31Å; L95-L169 HydrophobicContact CD2-CD1 4.23Å; L95-L169 HydrophobicContact CG-CD1 4.37Å; L95-R173 HydrophobicContact CD2-CB 3.84Å; L95-R173 HydrophobicContact CD2-CG 3.79Å
96	R	88.9	Confident	92.6	Very high	233 Å²	233	55.5 Å²	55.5	88%	0.879	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	38	-175.4	-57.2	-178	178.6	-173	-1.7	113	N92	N92-R96 VanDerWaalsContact O-CA 3.28Å; N92-R96 WeakPolarHBondContact O-CA 3Å; N92-R96 PolarHBondContact O-N 2.94Å
97	T	89.3	Confident	92.9	Very high	34 Å²	34	55 Å²	55	21%	0.209	26%	0.261	C	S	.	.	S	Bend	trans	-151.2	149.1	179.9	-169.3	0	0	0	0	108.8	N92 L95 I99	N92-T97 WeakPolarHBondContact CA-O 3.23Å; N92-T97 PolarHBondContact O-N 3.05Å; N92-T97 PolarHBondContact OD1-O 3.39Å; L95-T97 HydrophobicContact CB-CG2 3.79Å; L95-T97 PolarHBondContact O-N 3.31Å; T97-I99 VanDerWaalsContact C-N 3.28Å; T97-I99 HydrophobicContact CG2-CB 4.29Å; T97-I99 HydrophobicContact CG2-CD1 4.48Å; T97-I99 PolarHBondContact O-N 2.84Å
98	D	93.6	Very high	93	Very high	72 Å²	72	57.9 Å²	57.9	39%	0.385	29%	0.286	S	S	.	.			trans	-77.6	84.2	171	-167.6	-13.4	0	0	0	109.6	N92 L100 R101 T102	N92-D98 PolarHBondContact ND2-OD1 3.42Å; D98-L100 VanDerWaalsContact C-N 3.29Å; D98-L100 PolarHBondContact OD1-N 2.93Å; D98-R101 HydrophobicContact CB-CB 4.08Å; D98-R101 WeakPolarHBondContact OD1-CB 3.34Å; D98-R101 PolarHBondContact OD1-N 3.4Å; D98-R101 VanDerWaalsContact OD2-CB 3.25Å; D98-R101 WeakPolarHBondContact OD2-CB 3.41Å; D98-T102 PolarHBondContact O-N 2.89Å; D98-T102 VanDerWaalsContact O-N 3.15Å; D98-T102 PolarHBondContact O-OG1 2.85Å
99	I	95.1	Very high	93.1	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-70.6	-32.7	-178.6	-160.9	60.7	0	0	0	110.5	F88 A91 N92 L95 T97 T102 C103 H116 A120 I123	F88-I99 HydrophobicContact CD1-CG2 3.8Å; F88-I99 HydrophobicContact CE1-CG2 4.12Å; A91-I99 HydrophobicContact CB-CG2 4.15Å; N92-I99 WeakPolarHBondContact OD1-CG2 3.39Å; N92-I99 PolarHBondContact OD1-N 3.19Å; L95-I99 HydrophobicContact CD1-CB 4.02Å; L95-I99 HydrophobicContact CD1-CG1 4.14Å; L95-I99 HydrophobicContact CD1-CG2 4.08Å; T97-I99 VanDerWaalsContact C-N 3.28Å; T97-I99 HydrophobicContact CG2-CB 4.29Å; T97-I99 HydrophobicContact CG2-CD1 4.48Å; T97-I99 PolarHBondContact O-N 2.84Å; I99-T102 PolarHBondContact O-N 2.95Å; I99-C103 PolarHBondContact O-N 2.78Å; I99-C103 PolarHBondContact O-SG 3.35Å; I99-H116 HydrophobicContact CD1-CB 4.34Å; I99-A120 HydrophobicContact CD1-CB 4.09Å; I99-A120 HydrophobicContact CG1-CB 4.13Å; I99-I123 HydrophobicContact CG1-CD1 4.29Å; I99-I123 HydrophobicContact CG2-CD1 3.59Å
100	L	93.7	Very high	93.3	Very high	34 Å²	34	59.4 Å²	59.4	18%	0.178	30%	0.301	C	S	.	.	H	α-helix	trans	-61	-52.9	176.6	179.3	55	0	0	0	111	I79 F88 D98 T102 C103 L104	I79-L100 HydrophobicContact CG2-CD1 3.6Å; I79-L100 HydrophobicContact CG2-CD2 4.21Å; F88-L100 HydrophobicContact CB-CB 4.11Å; F88-L100 HydrophobicContact CB-CD2 4.19Å; F88-L100 HydrophobicContact CD1-CB 3.51Å; F88-L100 HydrophobicContact CD1-CD1 3.82Å; F88-L100 HydrophobicContact CD1-CG 4.17Å; F88-L100 HydrophobicContact CD2-CD1 3.87Å; F88-L100 HydrophobicContact CE1-CB 4.07Å; F88-L100 HydrophobicContact CE1-CD1 3.78Å; F88-L100 HydrophobicContact CE2-CD1 3.86Å; F88-L100 HydrophobicContact CG-CB 3.89Å; F88-L100 HydrophobicContact CG-CD1 3.86Å; F88-L100 HydrophobicContact CG-CD2 4.26Å; F88-L100 HydrophobicContact CG-CG 4.21Å; F88-L100 HydrophobicContact CZ-CD1 3.8Å; D98-L100 VanDerWaalsContact C-N 3.29Å; D98-L100 PolarHBondContact OD1-N 2.93Å; L100-T102 PolarHBondContact O-N 3.07Å; L100-C103 WeakPolarHBondContact O-CB 3.27Å; L100-C103 PolarHBondContact O-N 3.36Å; L100-L104 HydrophobicContact CD1-CD1 3.79Å; L100-L104 HydrophobicContact CD1-CD2 4.47Å; L100-L104 HydrophobicContact CD1-CG 3.92Å; L100-L104 HydrophobicContact CG-CD1 3.92Å; L100-L104 HydrophobicContact CG-CG 4.41Å; L100-L104 WeakPolarHBondContact O-CG 3.24Å; L100-L104 PolarHBondContact O-N 3.47Å
101	R	95.1	Very high	93.5	Very high	146 Å²	146	59.3 Å²	59.3	55%	0.551	30%	0.3	S	S	*	.	H	α-helix	trans	-58.7	-39.5	176.7	-173.6	177.7	-177.8	-172.2	-0.4	111.8	D98 C103 L104 E105	D98-R101 HydrophobicContact CB-CB 4.08Å; D98-R101 WeakPolarHBondContact OD1-CB 3.34Å; D98-R101 PolarHBondContact OD1-N 3.4Å; D98-R101 VanDerWaalsContact OD2-CB 3.25Å; D98-R101 WeakPolarHBondContact OD2-CB 3.41Å; R101-C103 VanDerWaalsContact C-N 3.31Å; R101-C103 PolarHBondContact O-N 2.98Å; R101-L104 PolarHBondContact O-N 3.16Å; R101-E105 HydrophobicContact CG-CB 4.39Å; R101-E105 HydrophobicContact CG-CG 4.36Å; R101-E105 WeakPolarHBondContact CG-OE2 3.17Å; R101-E105 IonicContact CZ-OE2 3.1Å; R101-E105 IonicContact NE-OE2 2.65Å; R101-E105 PolarHBondContact NE-OE2 3.42Å; R101-E105 IonicContact NH2-OE2 2.62Å; R101-E105 WeakPolarHBondContact O-CB 3.46Å; R101-E105 PolarHBondContact O-N 3.41Å
102	T	95.9	Very high	93.5	Very high	2 Å²	2	61.9 Å²	61.9	1%	0.012	32%	0.318	C	S	.	.	H	α-helix	trans	-62.5	-36.5	176.4	-54.6	0	0	0	0	112.1	D98 I99 L100 G106 K110 L111	D98-T102 PolarHBondContact O-N 2.89Å; D98-T102 VanDerWaalsContact O-N 3.15Å; D98-T102 PolarHBondContact O-OG1 2.85Å; I99-T102 PolarHBondContact O-N 2.95Å; L100-T102 PolarHBondContact O-N 3.07Å; T102-G106 WeakPolarHBondContact O-CA 3.33Å; T102-G106 PolarHBondContact O-N 3.12Å; T102-K110 HydrophobicContact CG2-CD 4.07Å; T102-K110 HydrophobicContact CG2-CG 4.15Å; T102-K110 PolarHBondContact OG1-NZ 3.27Å; T102-K110 VanDerWaalsContact OG1-NZ 3.11Å; T102-L111 HydrophobicContact CG2-CB 4.17Å; T102-L111 HydrophobicContact CG2-CD1 4.22Å
103	C	96.3	Very high	93.6	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-68.4	-45.6	173.8	-64.9	0	0	0	0	112.4	V72 G73 M74 I99 L100 R101 A120	V72-C103 CarbonylContact C-O 3.38Å; V72-C103 WeakPolarHBondContact CA-O 3Å; G73-C103 PolarHBondContact N-O 3.4Å; M74-C103 HydrophobicContact CE-CB 3.98Å; M74-C103 WeakPolarHBondContact CE-SG 3.44Å; M74-C103 HydrophobicContact CG-CB 4.09Å; I99-C103 PolarHBondContact O-N 2.78Å; I99-C103 PolarHBondContact O-SG 3.35Å; L100-C103 WeakPolarHBondContact O-CB 3.27Å; L100-C103 PolarHBondContact O-N 3.36Å; R101-C103 VanDerWaalsContact C-N 3.31Å; R101-C103 PolarHBondContact O-N 2.98Å; C103-A120 VanDerWaalsContact SG-CB 3.54Å
104	L	95.7	Very high	94	Very high	44 Å²	44	59.6 Å²	59.6	23%	0.23	31%	0.305	C	S	.	.	H	α-helix	trans	-77.9	-41.6	-172.7	-63.7	177.6	0	0	0	113.1	G73 K76 I79 L100 R101	G73-L104 WeakPolarHBondContact CA-O 3.33Å; G73-L104 PolarHBondContact N-O 3.14Å; K76-L104 HydrophobicContact CB-CD2 4.15Å; I79-L104 HydrophobicContact CD1-CD1 3.91Å; L100-L104 HydrophobicContact CD1-CD1 3.79Å; L100-L104 HydrophobicContact CD1-CD2 4.47Å; L100-L104 HydrophobicContact CD1-CG 3.92Å; L100-L104 HydrophobicContact CG-CD1 3.92Å; L100-L104 HydrophobicContact CG-CG 4.41Å; L100-L104 WeakPolarHBondContact O-CG 3.24Å; L100-L104 PolarHBondContact O-N 3.47Å; R101-L104 PolarHBondContact O-N 3.16Å
105	E	96.9	Very high	94.3	Very high	121 Å²	121	59.8 Å²	59.8	57%	0.565	31%	0.306	S	S	*	.	H	α-helix	trans	-115	-22	-167.9	-61.8	172.8	-161.7	0	0	113.1	V72 R101	V72-E105 VanDerWaalsContact CG1-C 3.48Å; R101-E105 HydrophobicContact CG-CB 4.39Å; R101-E105 HydrophobicContact CG-CG 4.36Å; R101-E105 WeakPolarHBondContact CG-OE2 3.17Å; R101-E105 IonicContact CZ-OE2 3.1Å; R101-E105 IonicContact NE-OE2 2.65Å; R101-E105 PolarHBondContact NE-OE2 3.42Å; R101-E105 IonicContact NH2-OE2 2.62Å; R101-E105 WeakPolarHBondContact O-CB 3.46Å; R101-E105 PolarHBondContact O-N 3.41Å
106	G	95.9	Very high	94.5	Very high	12 Å²	12	59.7 Å²	59.7	12%	0.124	31%	0.305	C	S	.	.			trans	78.6	-146.1	-177.9	0	0	0	0	0	113.7	T102	T102-G106 WeakPolarHBondContact O-CA 3.33Å; T102-G106 PolarHBondContact O-N 3.12Å
107	P	96.6	Very high	94.9	Very high	78 Å²	78	48.6 Å²	48.6	51%	0.506	26%	0.263	S	S	.	.			cis	-69.3	158.5	6.8	29.8	-36.7	0	0	0	112.4	S109 K110 L111	P107-S109 PolarHBondContact O-N 3.29Å; P107-S109 VanDerWaalsContact O-N 3.16Å; P107-K110 HydrophobicContact CG-CB 3.95Å; P107-K110 WeakPolarHBondContact O-CB 3.37Å; P107-K110 PolarHBondContact O-N 3.21Å; P107-L111 PolarHBondContact O-N 2.79Å
108	A	95.3	Very high	95.3	Very high	66 Å²	66	47 Å²	47	55%	0.545	25%	0.253	S	S	.	.	H	α-helix	trans	-55.4	-35.2	179.4	0	0	0	0	0	112.9	V72 K110 L111 S112	V72-A108 HydrophobicContact CG2-CB 3.91Å; A108-K110 VanDerWaalsContact C-N 3.32Å; A108-K110 PolarHBondContact O-N 3.19Å; A108-L111 PolarHBondContact O-N 2.96Å; A108-S112 VanDerWaalsContact O-CB 3.31Å; A108-S112 WeakPolarHBondContact O-CB 3.43Å; A108-S112 PolarHBondContact O-N 3.01Å; A108-S112 PolarHBondContact O-OG 3.26Å
109	S	94.8	Very high	95.5	Very high	81 Å²	81	43.6 Å²	43.6	57%	0.566	24%	0.235	S	C	*	.	H	α-helix	trans	-65.5	-29.7	176.7	57.9	0	0	0	0	114	P107 S112	P107-S109 PolarHBondContact O-N 3.29Å; P107-S109 VanDerWaalsContact O-N 3.16Å; S109-S112 WeakPolarHBondContact CA-OG 3.16Å; S109-S112 PolarHBondContact O-OG 3.38Å; S109-S112 VanDerWaalsContact O-OG 3.07Å
110	K	94.5	Very high	95.6	Very high	68 Å²	68	43.6 Å²	43.6	30%	0.296	24%	0.235	S	C	.	.	H	α-helix	trans	-76	-50.9	171.7	-176.5	-175.6	179.1	-160.3	0	109.3	T102 P107 A108 S112 K113 H116	T102-K110 HydrophobicContact CG2-CD 4.07Å; T102-K110 HydrophobicContact CG2-CG 4.15Å; T102-K110 PolarHBondContact OG1-NZ 3.27Å; T102-K110 VanDerWaalsContact OG1-NZ 3.11Å; P107-K110 HydrophobicContact CG-CB 3.95Å; P107-K110 WeakPolarHBondContact O-CB 3.37Å; P107-K110 PolarHBondContact O-N 3.21Å; A108-K110 VanDerWaalsContact C-N 3.32Å; A108-K110 PolarHBondContact O-N 3.19Å; K110-S112 PolarHBondContact O-N 3.14Å; K110-K113 WeakPolarHBondContact O-CB 3.39Å; K110-K113 PolarHBondContact O-N 2.95Å; K110-K113 VanDerWaalsContact O-N 3.09Å; K110-H116 PolarHBondContact O-CD2 3.08Å; K110-H116 VanDerWaalsContact O-CD2 3.26Å
111	L	95.8	Very high	95.8	Very high	2 Å²	2	42 Å²	42	1%	0.01	23%	0.226	C	C	.	.	H	α-helix	trans	-56.8	-37.5	-179.5	-179.6	59.5	0	0	0	111.7	H70 V72 M74 T102 P107 A108 K113 C117 A120	H70-L111 HydrophobicContact CB-CD2 4.33Å; H70-L111 HydrophobicContact CB-CG 4.4Å; V72-L111 HydrophobicContact CG2-CD2 4.1Å; M74-L111 HydrophobicContact CE-CD1 3.89Å; M74-L111 HydrophobicContact CE-CD2 4.13Å; T102-L111 HydrophobicContact CG2-CB 4.17Å; T102-L111 HydrophobicContact CG2-CD1 4.22Å; P107-L111 PolarHBondContact O-N 2.79Å; A108-L111 PolarHBondContact O-N 2.96Å; L111-K113 PolarHBondContact O-N 3.37Å; L111-C117 WeakPolarHBondContact O-CA 3.15Å; L111-C117 WeakPolarHBondContact O-CB 3.43Å; L111-C117 PolarHBondContact O-N 2.8Å; L111-C117 VanDerWaalsContact O-N 3.07Å; L111-A120 HydrophobicContact CD1-CB 3.82Å
112	S	94.1	Very high	96	Very high	53 Å²	53	35 Å²	35	37%	0.371	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-13.7	-179.2	65.2	0	0	0	0	115	A108 S109 K110	A108-S112 VanDerWaalsContact O-CB 3.31Å; A108-S112 WeakPolarHBondContact O-CB 3.43Å; A108-S112 PolarHBondContact O-N 3.01Å; A108-S112 PolarHBondContact O-OG 3.26Å; S109-S112 WeakPolarHBondContact CA-OG 3.16Å; S109-S112 PolarHBondContact O-OG 3.38Å; S109-S112 VanDerWaalsContact O-OG 3.07Å; K110-S112 PolarHBondContact O-N 3.14Å
113	K	93.2	Very high	96	Very high	114 Å²	114	35 Å²	35	50%	0.496	20%	0.2	S	C	.	.	S	Bend	trans	-65.6	138.6	175.4	-65.4	-173.8	177.5	-176.8	0	109.8	K110 L111 I115 H116 C117	K110-K113 WeakPolarHBondContact O-CB 3.39Å; K110-K113 PolarHBondContact O-N 2.95Å; K110-K113 VanDerWaalsContact O-N 3.09Å; L111-K113 PolarHBondContact O-N 3.37Å; K113-I115 HydrophobicContact CB-CG1 4.02Å; K113-I115 PolarHBondContact O-N 3.32Å; K113-I115 VanDerWaalsContact O-N 3.15Å; K113-H116 PolarHBondContact O-N 3.16Å; K113-C117 PolarHBondContact O-N 2.93Å; K113-C117 PolarHBondContact O-SG 2.85Å
114	T	94.7	Very high	96.1	Very high	7 Å²	7	35 Å²	35	4%	0.043	20%	0.2	C	C	.	.	H	α-helix	trans	-51.9	-43.1	-176.9	-50.5	0	0	0	0	111.9	H116 C117 Q118 M179 Q180 F267	T114-H116 PolarHBondContact O-N 2.85Å; T114-H116 VanDerWaalsContact O-N 3.17Å; T114-C117 VanDerWaalsContact CA-SG 3.59Å; T114-Q118 HydrophobicContact CG2-CG 4.16Å; T114-Q118 WeakPolarHBondContact O-CG 3.31Å; T114-Q118 PolarHBondContact O-N 3.4Å; T114-M179 HydrophobicContact CG2-CB 4.24Å; T114-Q180 VanDerWaalsContact CB-OE1 3.29Å; T114-Q180 PolarHBondContact OG1-OE1 2.93Å; T114-Q180 VanDerWaalsContact OG1-OE1 3.08Å; T114-F267 HydrophobicContact CG2-CZ 4.31Å
115	I	94.8	Very high	96.2	Very high	61 Å²	61	32.9 Å²	32.9	31%	0.313	19%	0.189	S	C	.	.	H	α-helix	trans	-61.2	-19.3	177.8	61.3	170	0	0	0	114.8	K113 P119 Q180	K113-I115 HydrophobicContact CB-CG1 4.02Å; K113-I115 PolarHBondContact O-N 3.32Å; K113-I115 VanDerWaalsContact O-N 3.15Å; I115-P119 WeakPolarHBondContact O-CD 3.42Å; I115-P119 WeakPolarHBondContact O-CG 3.33Å; I115-Q180 HydrophobicContact CG2-CB 3.72Å; I115-Q180 HydrophobicContact CG2-CG 3.98Å
116	H	95.2	Very high	96.3	Very high	26 Å²	26	27.1 Å²	27.1	12%	0.12	16%	0.162	C	C	.	.	H	α-helix	trans	-110.1	-48.8	-179.2	-64.3	-41.7	0	0	0	111.7	I99 K110 K113 T114 Q118 P119 A120	I99-H116 HydrophobicContact CD1-CB 4.34Å; K110-H116 PolarHBondContact O-CD2 3.08Å; K110-H116 VanDerWaalsContact O-CD2 3.26Å; K113-H116 PolarHBondContact O-N 3.16Å; T114-H116 PolarHBondContact O-N 2.85Å; T114-H116 VanDerWaalsContact O-N 3.17Å; H116-Q118 VanDerWaalsContact C-N 3.29Å; H116-Q118 PolarHBondContact O-N 2.86Å; H116-P119 WeakPolarHBondContact O-CD 3.47Å; H116-A120 WeakPolarHBondContact O-CB 3.45Å; H116-A120 PolarHBondContact O-N 3.48Å
117	C	96.1	Very high	96.3	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-62.9	-33.8	-178	56.9	0	0	0	0	113.3	Q67 H70 L111 K113 T114 T121	Q67-C117 VanDerWaalsContact CD-SG 3.54Å; H70-C117 WeakPolarHBondContact CE1-CB 3.11Å; H70-C117 VanDerWaalsContact ND1-CB 3.33Å; H70-C117 WeakPolarHBondContact ND1-CB 3.44Å; L111-C117 WeakPolarHBondContact O-CA 3.15Å; L111-C117 WeakPolarHBondContact O-CB 3.43Å; L111-C117 PolarHBondContact O-N 2.8Å; L111-C117 VanDerWaalsContact O-N 3.07Å; K113-C117 PolarHBondContact O-N 2.93Å; K113-C117 PolarHBondContact O-SG 2.85Å; T114-C117 VanDerWaalsContact CA-SG 3.59Å; C117-T121 VanDerWaalsContact O-CB 3.27Å; C117-T121 WeakPolarHBondContact O-CB 3.44Å; C117-T121 PolarHBondContact O-N 3.29Å; C117-T121 PolarHBondContact O-OG1 2.95Å
118	Q	97.7	Very high	96.4	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-70	-52.5	-178.3	-61.4	-168.4	9.6	0	0	112.3	T114 H116 A120 T121 F122 L151 I172 A176	T114-Q118 HydrophobicContact CG2-CG 4.16Å; T114-Q118 WeakPolarHBondContact O-CG 3.31Å; T114-Q118 PolarHBondContact O-N 3.4Å; H116-Q118 VanDerWaalsContact C-N 3.29Å; H116-Q118 PolarHBondContact O-N 2.86Å; Q118-A120 VanDerWaalsContact C-N 3.31Å; Q118-A120 PolarHBondContact O-N 3.31Å; Q118-T121 PolarHBondContact O-N 2.89Å; Q118-F122 WeakPolarHBondContact O-CB 2.95Å; Q118-F122 PolarHBondContact O-N 2.95Å; Q118-L151 HydrophobicContact CB-CD2 3.81Å; Q118-L151 HydrophobicContact CG-CD2 3.61Å; Q118-I172 HydrophobicContact CB-CG2 4.16Å; Q118-A176 HydrophobicContact CB-CB 3.96Å; Q118-A176 HydrophobicContact CG-CB 4.31Å
119	P	97.5	Very high	96.4	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.006	11%	0.106	C	C	.	.	H	α-helix	trans	-57.2	-43.6	170.9	-22.1	30.4	0	0	0	112.9	L95 I115 H116 T121 F122 I123 I172	L95-P119 HydrophobicContact CD1-CB 3.53Å; L95-P119 HydrophobicContact CD1-CG 4.26Å; L95-P119 HydrophobicContact CD2-CB 3.92Å; L95-P119 HydrophobicContact CD2-CG 3.88Å; L95-P119 HydrophobicContact CG-CB 4.39Å; I115-P119 WeakPolarHBondContact O-CD 3.42Å; I115-P119 WeakPolarHBondContact O-CG 3.33Å; H116-P119 WeakPolarHBondContact O-CD 3.47Å; P119-T121 PolarHBondContact O-N 3.1Å; P119-F122 PolarHBondContact O-N 2.79Å; P119-I123 WeakPolarHBondContact O-CD1 3.49Å; P119-I123 WeakPolarHBondContact O-CG1 3.25Å; P119-I123 PolarHBondContact O-N 3.26Å; P119-I172 HydrophobicContact CB-CG2 4.13Å; P119-I172 HydrophobicContact CG-CG2 3.91Å
120	A	97.5	Very high	96.5	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-59.1	-47.6	179.5	0	0	0	0	0	112.4	M74 I99 C103 L111 H116 Q118 F122 I123 I124	M74-A120 HydrophobicContact CE-CB 3.56Å; I99-A120 HydrophobicContact CD1-CB 4.09Å; I99-A120 HydrophobicContact CG1-CB 4.13Å; C103-A120 VanDerWaalsContact SG-CB 3.54Å; L111-A120 HydrophobicContact CD1-CB 3.82Å; H116-A120 WeakPolarHBondContact O-CB 3.45Å; H116-A120 PolarHBondContact O-N 3.48Å; Q118-A120 VanDerWaalsContact C-N 3.31Å; Q118-A120 PolarHBondContact O-N 3.31Å; A120-F122 PolarHBondContact O-N 3.5Å; A120-I123 PolarHBondContact O-N 3.34Å; A120-I124 WeakPolarHBondContact O-CB 3.12Å; A120-I124 WeakPolarHBondContact O-CG1 3.42Å; A120-I124 PolarHBondContact O-N 2.73Å
121	T	98.2	Very high	96.5	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-63.5	-42.2	178	-53.5	0	0	0	0	110.8	P65 C117 Q118 P119 S125 L151 P349	P65-T121 HydrophobicContact CG-CG2 4.48Å; C117-T121 VanDerWaalsContact O-CB 3.27Å; C117-T121 WeakPolarHBondContact O-CB 3.44Å; C117-T121 PolarHBondContact O-N 3.29Å; C117-T121 PolarHBondContact O-OG1 2.95Å; Q118-T121 PolarHBondContact O-N 2.89Å; P119-T121 PolarHBondContact O-N 3.1Å; T121-S125 WeakPolarHBondContact O-CB 3.45Å; T121-S125 PolarHBondContact O-N 2.79Å; T121-S125 PolarHBondContact O-OG 3.31Å; T121-L151 HydrophobicContact CG2-CD1 3.93Å; T121-P349 HydrophobicContact CG2-CG 4.02Å
122	F	98.5	Very high	96.4	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-60.1	-50.7	177	169.5	-97.6	0	0	0	112.1	Q118 P119 A120 S125 L126 L151 I154 S155 V158 Y165 L169 I172	Q118-F122 WeakPolarHBondContact O-CB 2.95Å; Q118-F122 PolarHBondContact O-N 2.95Å; P119-F122 PolarHBondContact O-N 2.79Å; A120-F122 PolarHBondContact O-N 3.5Å; F122-S125 PolarHBondContact O-N 3.3Å; F122-L126 HydrophobicContact CD1-CD1 4.47Å; F122-L126 HydrophobicContact CD2-CD1 4.37Å; F122-L126 HydrophobicContact CE1-CD1 3.82Å; F122-L126 HydrophobicContact CE2-CD1 3.71Å; F122-L126 HydrophobicContact CE2-CG 4.43Å; F122-L126 HydrophobicContact CZ-CD1 3.39Å; F122-L126 HydrophobicContact CZ-CG 4.49Å; F122-L126 PolarHBondContact O-N 2.92Å; F122-L126 VanDerWaalsContact O-N 3.11Å; F122-L151 HydrophobicContact CB-CD1 4.5Å; F122-I154 HydrophobicContact CD2-CG2 4.31Å; F122-I154 HydrophobicContact CE2-CG2 3.97Å; F122-S155 WeakPolarHBondContact CD2-OG 3.29Å; F122-V158 HydrophobicContact CE2-CG2 3.84Å; F122-V158 HydrophobicContact CZ-CG2 3.92Å; F122-Y165 HydrophobicContact CE1-CD2 4.1Å; F122-Y165 AromaticContact CE1-CE2 3.88Å; F122-Y165 HydrophobicContact CE1-CE2 3.88Å; F122-Y165 HydrophobicContact CZ-CD2 4.35Å; F122-L169 HydrophobicContact CD1-CD1 4.02Å; F122-L169 HydrophobicContact CE1-CB 3.87Å; F122-L169 HydrophobicContact CE1-CD1 4.13Å; F122-I172 HydrophobicContact CB-CD1 4.3Å; F122-I172 HydrophobicContact CB-CG1 4.05Å; F122-I172 HydrophobicContact CB-CG2 4.29Å; F122-I172 HydrophobicContact CD1-CG1 4.48Å; F122-I172 HydrophobicContact CD2-CD1 4.4Å; F122-I172 HydrophobicContact CD2-CG1 3.82Å; F122-I172 HydrophobicContact CE2-CG1 4.4Å; F122-I172 HydrophobicContact CG-CG1 3.87Å
123	I	97.7	Very high	96.4	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-63.6	-47.6	-178	-61.8	157.4	0	0	0	110.5	F88 A91 L95 I99 P119 A120 S125 L126 A127 L169	F88-I123 HydrophobicContact CD1-CG2 3.9Å; F88-I123 HydrophobicContact CD2-CG2 4.2Å; F88-I123 HydrophobicContact CE1-CB 4.35Å; F88-I123 HydrophobicContact CE1-CG2 3.62Å; F88-I123 HydrophobicContact CE2-CG2 3.91Å; F88-I123 HydrophobicContact CG-CG2 4.19Å; F88-I123 HydrophobicContact CZ-CB 4.49Å; F88-I123 HydrophobicContact CZ-CG2 3.61Å; A91-I123 HydrophobicContact CB-CD1 3.38Å; A91-I123 HydrophobicContact CB-CG1 4.1Å; L95-I123 HydrophobicContact CD1-CD1 4.17Å; I99-I123 HydrophobicContact CG1-CD1 4.29Å; I99-I123 HydrophobicContact CG2-CD1 3.59Å; P119-I123 WeakPolarHBondContact O-CD1 3.49Å; P119-I123 WeakPolarHBondContact O-CG1 3.25Å; P119-I123 PolarHBondContact O-N 3.26Å; A120-I123 PolarHBondContact O-N 3.34Å; I123-S125 VanDerWaalsContact C-N 3.28Å; I123-S125 PolarHBondContact O-N 2.97Å; I123-L126 PolarHBondContact O-N 3.36Å; I123-A127 VanDerWaalsContact O-CB 3.28Å; I123-A127 WeakPolarHBondContact O-CB 3.38Å; I123-A127 PolarHBondContact O-N 2.83Å; I123-L169 HydrophobicContact CD1-CD1 4.34Å; I123-L169 HydrophobicContact CG1-CD1 4.29Å
124	I	97.6	Very high	96.4	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-61.8	-38.9	178.2	-65.6	-73.9	0	0	0	110.9	M74 L78 F88 A120 L126 A127 A128 P349 M373	M74-I124 HydrophobicContact CE-CG1 4.13Å; M74-I124 HydrophobicContact CG-CD1 4.14Å; M74-I124 HydrophobicContact CG-CG1 4.08Å; M74-I124 HydrophobicContact SD-CG1 4.19Å; L78-I124 HydrophobicContact CD1-CD1 4.3Å; L78-I124 HydrophobicContact CD1-CG2 4.02Å; F88-I124 HydrophobicContact CE2-CD1 4.37Å; F88-I124 HydrophobicContact CZ-CD1 3.67Å; F88-I124 HydrophobicContact CZ-CG1 4.31Å; A120-I124 WeakPolarHBondContact O-CB 3.12Å; A120-I124 WeakPolarHBondContact O-CG1 3.42Å; A120-I124 PolarHBondContact O-N 2.73Å; I124-L126 VanDerWaalsContact C-N 3.33Å; I124-L126 PolarHBondContact O-N 3.18Å; I124-A127 PolarHBondContact O-N 2.85Å; I124-A128 VanDerWaalsContact O-CB 3.32Å; I124-A128 WeakPolarHBondContact O-CB 3.44Å; I124-A128 PolarHBondContact O-N 3.43Å; I124-P349 HydrophobicContact CB-CG 4.47Å; I124-P349 HydrophobicContact CG2-CB 4.13Å; I124-P349 HydrophobicContact CG2-CG 4.09Å; I124-M373 HydrophobicContact CG2-SD 3.44Å; I124-M373 WeakPolarHBondContact CG2-SD 3.4Å
125	S	98.4	Very high	96.3	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-63	-37.7	178.3	-61.8	0	0	0	0	113	T121 F122 I123 S347	T121-S125 WeakPolarHBondContact O-CB 3.45Å; T121-S125 PolarHBondContact O-N 2.79Å; T121-S125 PolarHBondContact O-OG 3.31Å; F122-S125 PolarHBondContact O-N 3.3Å; I123-S125 VanDerWaalsContact C-N 3.28Å; I123-S125 PolarHBondContact O-N 2.97Å; S125-S347 WeakPolarHBondContact CA-O 3.29Å; S125-S347 WeakPolarHBondContact CB-O 3.44Å; S125-S347 PolarHBondContact O-OG 2.62Å; S125-S347 PolarHBondContact OG-O 2.95Å
126	L	98.2	Very high	96.2	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-79.8	-34.4	175.5	-63.8	-178.6	0	0	0	112.5	F22 M87 F122 I123 I124 A128 L129 V130 V158 Y165	F22-L126 HydrophobicContact CE2-CD2 4.15Å; M87-L126 HydrophobicContact CE-CB 3.58Å; F122-L126 HydrophobicContact CD1-CD1 4.47Å; F122-L126 HydrophobicContact CD2-CD1 4.37Å; F122-L126 HydrophobicContact CE1-CD1 3.82Å; F122-L126 HydrophobicContact CE2-CD1 3.71Å; F122-L126 HydrophobicContact CE2-CG 4.43Å; F122-L126 HydrophobicContact CZ-CD1 3.39Å; F122-L126 HydrophobicContact CZ-CG 4.49Å; F122-L126 PolarHBondContact O-N 2.92Å; F122-L126 VanDerWaalsContact O-N 3.11Å; I123-L126 PolarHBondContact O-N 3.36Å; I124-L126 VanDerWaalsContact C-N 3.33Å; I124-L126 PolarHBondContact O-N 3.18Å; L126-A128 VanDerWaalsContact C-N 3.28Å; L126-A128 PolarHBondContact O-N 3.34Å; L126-L129 HydrophobicContact CD2-CD1 3.73Å; L126-L129 WeakPolarHBondContact O-CB 3.37Å; L126-L129 PolarHBondContact O-N 3.37Å; L126-L129 VanDerWaalsContact O-N 3.12Å; L126-V130 PolarHBondContact O-N 3.4Å; L126-V158 HydrophobicContact CD1-CB 4.13Å; L126-V158 HydrophobicContact CD1-CG1 3.68Å; L126-V158 HydrophobicContact CD2-CB 4.18Å; L126-V158 HydrophobicContact CD2-CG1 4.07Å; L126-Y165 HydrophobicContact CD1-CD2 3.61Å; L126-Y165 HydrophobicContact CD1-CE2 3.98Å
127	A	96.8	Very high	96.2	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-62.3	-38	173.2	0	0	0	0	0	111.4	L78 I84 M87 I123 I124 L129 V130 K131	L78-A127 HydrophobicContact CD1-CB 3.87Å; I84-A127 HydrophobicContact CB-CB 4.44Å; I84-A127 HydrophobicContact CD1-CB 3.95Å; I84-A127 VanDerWaalsContact CD1-O 3.23Å; I84-A127 WeakPolarHBondContact CD1-O 3.26Å; I84-A127 HydrophobicContact CG1-CB 4Å; I84-A127 HydrophobicContact CG2-CB 3.7Å; M87-A127 HydrophobicContact CE-CB 4.44Å; I123-A127 VanDerWaalsContact O-CB 3.28Å; I123-A127 WeakPolarHBondContact O-CB 3.38Å; I123-A127 PolarHBondContact O-N 2.83Å; I124-A127 PolarHBondContact O-N 2.85Å; A127-L129 VanDerWaalsContact C-N 3.29Å; A127-L129 PolarHBondContact O-N 3.38Å; A127-V130 WeakPolarHBondContact O-CB 3.33Å; A127-V130 PolarHBondContact O-N 3.26Å; A127-V130 VanDerWaalsContact O-N 3.11Å; A127-K131 PolarHBondContact O-N 2.92Å; A127-K131 VanDerWaalsContact O-N 3.08Å
128	A	96.9	Very high	96.1	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-61	-35.2	172.4	0	0	0	0	0	112.9	I124 L126 V130 K131 L132 S347 V371 M373	I124-A128 VanDerWaalsContact O-CB 3.32Å; I124-A128 WeakPolarHBondContact O-CB 3.44Å; I124-A128 PolarHBondContact O-N 3.43Å; L126-A128 VanDerWaalsContact C-N 3.28Å; L126-A128 PolarHBondContact O-N 3.34Å; A128-V130 VanDerWaalsContact C-N 3.35Å; A128-K131 PolarHBondContact O-N 2.81Å; A128-L132 WeakPolarHBondContact O-CB 3.38Å; A128-L132 PolarHBondContact O-N 3.17Å; A128-S347 WeakPolarHBondContact CB-OG 3.13Å; A128-V371 HydrophobicContact CB-CB 4.09Å; A128-V371 HydrophobicContact CB-CG1 4.05Å; A128-V371 HydrophobicContact CB-CG2 4.41Å; A128-M373 HydrophobicContact CB-CE 3.42Å; A128-M373 VanDerWaalsContact CB-CE 3.42Å; A128-M373 HydrophobicContact CB-SD 4.19Å
129	L	96.9	Very high	95.8	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-67.2	-36.5	172.9	-63.9	170.7	0	0	0	112.5	F22 I62 F64 L126 A127 K131 L132 R133 I140 F159 S347	F22-L129 HydrophobicContact CD1-CB 4.27Å; F22-L129 HydrophobicContact CD1-CD1 4.09Å; F22-L129 HydrophobicContact CE1-CB 3.36Å; F22-L129 HydrophobicContact CE1-CD1 3.65Å; F22-L129 HydrophobicContact CE1-CG 4.18Å; F22-L129 HydrophobicContact CE2-CD1 4.19Å; F22-L129 HydrophobicContact CZ-CB 3.76Å; F22-L129 HydrophobicContact CZ-CD1 3.69Å; F22-L129 HydrophobicContact CZ-CG 4.42Å; I62-L129 HydrophobicContact CD1-CD2 4.3Å; I62-L129 HydrophobicContact CG2-CD2 4.02Å; F64-L129 HydrophobicContact CE1-CD1 3.71Å; F64-L129 HydrophobicContact CE1-CD2 4.08Å; F64-L129 HydrophobicContact CE1-CG 3.97Å; F64-L129 HydrophobicContact CZ-CD1 3.73Å; F64-L129 HydrophobicContact CZ-CD2 3.84Å; F64-L129 HydrophobicContact CZ-CG 4.12Å; L126-L129 HydrophobicContact CD2-CD1 3.73Å; L126-L129 WeakPolarHBondContact O-CB 3.37Å; L126-L129 PolarHBondContact O-N 3.37Å; L126-L129 VanDerWaalsContact O-N 3.12Å; A127-L129 VanDerWaalsContact C-N 3.29Å; A127-L129 PolarHBondContact O-N 3.38Å; L129-K131 VanDerWaalsContact C-N 3.34Å; L129-L132 PolarHBondContact O-N 3.02Å; L129-R133 WeakPolarHBondContact O-CB 3.17Å; L129-R133 PolarHBondContact O-N 3.45Å; L129-I140 WeakPolarHBondContact O-CD1 3.36Å; L129-F159 HydrophobicContact CD1-CB 3.86Å; L129-F159 HydrophobicContact CD1-CD2 3.55Å; L129-F159 HydrophobicContact CD1-CE2 4.42Å; L129-F159 HydrophobicContact CD1-CG 3.92Å; L129-F159 HydrophobicContact CD2-CD2 4.09Å; L129-F159 HydrophobicContact CD2-CE2 4.23Å; L129-F159 HydrophobicContact CG-CD2 4.42Å; L129-S347 VanDerWaalsContact CD2-OG 3.3Å; L129-S347 WeakPolarHBondContact CD2-OG 3.19Å; L129-S347 VanDerWaalsContact CG-OG 3.32Å; L129-S347 WeakPolarHBondContact CG-OG 3.4Å; L129-S347 PolarHBondContact N-OG 2.87Å
130	V	95.4	Very high	95.6	Very high	9 Å²	9	30 Å²	30	6%	0.055	14%	0.142	C	C	.	.	H	α-helix	trans	-61.6	-46.2	175.6	176.1	0	0	0	0	109.6	F22 L81 K83 I84 M87 L126 A127 A128 R133 E134	F22-V130 HydrophobicContact CZ-CG2 4.34Å; L81-V130 HydrophobicContact CD1-CG1 4.44Å; K83-V130 HydrophobicContact CB-CG1 4.12Å; K83-V130 HydrophobicContact CD-CG1 4.16Å; I84-V130 HydrophobicContact CD1-CB 4.12Å; I84-V130 HydrophobicContact CD1-CG1 4.24Å; I84-V130 HydrophobicContact CG1-CB 4.05Å; I84-V130 HydrophobicContact CG1-CG1 4Å; M87-V130 HydrophobicContact SD-CG2 3.89Å; L126-V130 PolarHBondContact O-N 3.4Å; A127-V130 WeakPolarHBondContact O-CB 3.33Å; A127-V130 PolarHBondContact O-N 3.26Å; A127-V130 VanDerWaalsContact O-N 3.11Å; A128-V130 VanDerWaalsContact C-N 3.35Å; V130-R133 PolarHBondContact O-N 2.91Å; V130-E134 WeakPolarHBondContact O-CG 3.4Å; V130-E134 PolarHBondContact O-N 3.44Å
131	K	94.5	Very high	95.3	Very high	24 Å²	24	33.6 Å²	33.6	10%	0.104	16%	0.157	C	C	.	.	H	α-helix	trans	-61.7	-49.6	174.2	177.6	174.5	171.9	-176.2	0	112.2	L78 L81 A127 A128 L129 R133 E134 E135 V371 D372	L78-K131 HydrophobicContact CD2-CB 3.73Å; L78-K131 HydrophobicContact CD2-CD 3.57Å; L78-K131 HydrophobicContact CD2-CG 4.29Å; L81-K131 HydrophobicContact CD1-CB 4Å; A127-K131 PolarHBondContact O-N 2.92Å; A127-K131 VanDerWaalsContact O-N 3.08Å; A128-K131 PolarHBondContact O-N 2.81Å; L129-K131 VanDerWaalsContact C-N 3.34Å; K131-R133 PolarHBondContact O-N 3.11Å; K131-R133 VanDerWaalsContact O-N 3.16Å; K131-E134 PolarHBondContact O-N 3.15Å; K131-E135 VanDerWaalsContact CE-CD 3.47Å; K131-E135 WeakPolarHBondContact CE-OE1 3.2Å; K131-E135 HydrophobicContact CG-CG 4.33Å; K131-E135 IonicContact NZ-OE1 2.71Å; K131-E135 PolarHBondContact O-N 3.11Å; K131-V371 HydrophobicContact CB-CG1 4.41Å; K131-V371 HydrophobicContact CD-CG1 4.05Å; K131-V371 HydrophobicContact CG-CG1 4.3Å; K131-D372 PolarHBondContact NZ-O 3.26Å
132	L	95.3	Very high	95	Very high	11 Å²	11	35.3 Å²	35.3	6%	0.058	17%	0.167	C	C	.	.	H	α-helix	trans	-56.1	-34.8	179.5	180	65.3	0	0	0	112.1	I62 A128 L129 N136 L139 I140 I345 V371	I62-L132 HydrophobicContact CD1-CD2 4.15Å; A128-L132 WeakPolarHBondContact O-CB 3.38Å; A128-L132 PolarHBondContact O-N 3.17Å; L129-L132 PolarHBondContact O-N 3.02Å; L132-N136 CarbonylContact O-C 3.21Å; L132-N136 WeakPolarHBondContact O-CA 3.44Å; L132-N136 PolarHBondContact O-N 3.48Å; L132-L139 HydrophobicContact CD1-CD1 3.95Å; L132-I140 HydrophobicContact CB-CD1 4.31Å; L132-I140 HydrophobicContact CD2-CD1 4.26Å; L132-I140 HydrophobicContact CD2-CG1 3.91Å; L132-I140 HydrophobicContact CG-CD1 4.19Å; L132-I140 HydrophobicContact CG-CG1 4.19Å; L132-I345 HydrophobicContact CD1-CG2 4.35Å; L132-I345 HydrophobicContact CD2-CG2 3.81Å; L132-V371 HydrophobicContact CB-CG2 4.06Å; L132-V371 HydrophobicContact CD1-CG2 4.27Å; L132-V371 HydrophobicContact CD2-CG2 4.4Å; L132-V371 HydrophobicContact CG-CG2 4.48Å
133	R	94.3	Very high	94.7	Very high	51 Å²	51	35.4 Å²	35.4	19%	0.192	17%	0.167	C	C	.	.	H	α-helix	trans	-65.2	-46.5	175.8	-176.6	172.8	-65.1	176.1	-8.6	113	P21 L129 V130 K131 E135 E137 I140	P21-R133 VanDerWaalsContact C-NH1 3.34Å; P21-R133 PolarHBondContact O-NH1 3.48Å; P21-R133 PolarHBondContact O-NH2 3.25Å; L129-R133 WeakPolarHBondContact O-CB 3.17Å; L129-R133 PolarHBondContact O-N 3.45Å; V130-R133 PolarHBondContact O-N 2.91Å; K131-R133 PolarHBondContact O-N 3.11Å; K131-R133 VanDerWaalsContact O-N 3.16Å; R133-E135 PolarHBondContact O-N 3.29Å; R133-E137 HydrophobicContact CG-CB 4.31Å; R133-E137 HydrophobicContact CG-CG 4.07Å; R133-E137 WeakPolarHBondContact O-CB 3.2Å; R133-E137 PolarHBondContact O-N 3.43Å; R133-I140 HydrophobicContact CB-CD1 3.61Å; R133-I140 HydrophobicContact CG-CD1 4.37Å
134	E	91.9	Very high	94.4	Very high	113 Å²	113	37 Å²	37	53%	0.528	18%	0.177	S	C	.	.	H	α-helix	trans	-66.5	-31.5	-179	-58.4	-76.3	160.4	0	0	110.3	K83 V130 K131	K83-E134 IonicContact NZ-OE1 3.11Å; K83-E134 PolarHBondContact NZ-OE1 3.24Å; V130-E134 WeakPolarHBondContact O-CG 3.4Å; V130-E134 PolarHBondContact O-N 3.44Å; K131-E134 PolarHBondContact O-N 3.15Å
135	E	92.9	Very high	94.3	Very high	127 Å²	127	37.3 Å²	37.3	59%	0.593	18%	0.179	S	C	*	.	H	α-helix	trans	-86.4	-38.9	180	-67.5	177.7	162.6	0	0	113.9	K131 R133	K131-E135 VanDerWaalsContact CE-CD 3.47Å; K131-E135 WeakPolarHBondContact CE-OE1 3.2Å; K131-E135 HydrophobicContact CG-CG 4.33Å; K131-E135 IonicContact NZ-OE1 2.71Å; K131-E135 PolarHBondContact O-N 3.11Å; R133-E135 PolarHBondContact O-N 3.29Å
136	N	93.8	Very high	94.2	Very high	72 Å²	72	37.3 Å²	37.3	39%	0.385	18%	0.179	S	C	.	.	H	α-helix	trans	-158.7	74.7	-174.3	-166	-24.9	0	0	0	111.9	L132 E138 L139	L132-N136 CarbonylContact O-C 3.21Å; L132-N136 WeakPolarHBondContact O-CA 3.44Å; L132-N136 PolarHBondContact O-N 3.48Å; N136-E138 PolarHBondContact O-N 2.96Å; N136-L139 HydrophobicContact CB-CD1 4.01Å; N136-L139 HydrophobicContact CB-CG 4.38Å; N136-L139 WeakPolarHBondContact ND2-CD1 3.41Å; N136-L139 PolarHBondContact O-N 2.93Å; N136-L139 PolarHBondContact OD1-N 2.93Å
137	E	94.4	Very high	94.2	Very high	85 Å²	85	37.3 Å²	37.3	40%	0.397	18%	0.179	S	C	.	.	H	α-helix	trans	-57.2	-31.1	-180	-171.8	179.5	-154.9	0	0	113.5	R133 L139 I140 K141	R133-E137 HydrophobicContact CG-CB 4.31Å; R133-E137 HydrophobicContact CG-CG 4.07Å; R133-E137 WeakPolarHBondContact O-CB 3.2Å; R133-E137 PolarHBondContact O-N 3.43Å; E137-L139 VanDerWaalsContact C-N 3.28Å; E137-L139 PolarHBondContact O-N 3.18Å; E137-I140 WeakPolarHBondContact O-CA 3.21Å; E137-I140 WeakPolarHBondContact O-CB 3.37Å; E137-I140 PolarHBondContact O-N 3.46Å; E137-K141 HydrophobicContact CG-CD 3.87Å; E137-K141 HydrophobicContact CG-CG 4.11Å; E137-K141 PolarHBondContact O-N 3.32Å; E137-K141 VanDerWaalsContact OE1-CE 3.31Å; E137-K141 WeakPolarHBondContact OE1-CE 3.25Å; E137-K141 IonicContact OE1-NZ 2.83Å; E137-K141 WeakPolarHBondContact OE2-CE 3.23Å; E137-K141 IonicContact OE2-NZ 3.12Å; E137-K141 PolarHBondContact OE2-NZ 2.68Å
138	E	92.8	Very high	94.3	Very high	97 Å²	97	37.3 Å²	37.3	45%	0.453	18%	0.179	S	C	.	.	H	α-helix	trans	-62.7	-33.6	-179.4	-72.5	-56.5	124.1	0	0	112.6	N136 I140 K141 N142	N136-E138 PolarHBondContact O-N 2.96Å; E138-I140 PolarHBondContact O-N 3.48Å; E138-K141 PolarHBondContact O-N 3.02Å; E138-K141 WeakPolarHBondContact OE1-CD 3.4Å; E138-K141 IonicContact OE1-NZ 2.79Å; E138-N142 VanDerWaalsContact O-CB 3.26Å; E138-N142 WeakPolarHBondContact O-CB 3.44Å; E138-N142 PolarHBondContact O-N 3.19Å; E138-N142 PolarHBondContact O-ND2 3.46Å; E138-N142 PolarHBondContact OE2-ND2 3.16Å
139	L	93.2	Very high	94.4	Very high	27 Å²	27	38.2 Å²	38.2	14%	0.141	18%	0.183	C	C	.	.	H	α-helix	trans	-62.4	-32.4	172.7	-73	173.1	0	0	0	112	S60 L132 N136 E137 R343 I345	S60-L139 WeakPolarHBondContact CB-O 3.36Å; S60-L139 PolarHBondContact OG-O 3.01Å; L132-L139 HydrophobicContact CD1-CD1 3.95Å; N136-L139 HydrophobicContact CB-CD1 4.01Å; N136-L139 HydrophobicContact CB-CG 4.38Å; N136-L139 WeakPolarHBondContact ND2-CD1 3.41Å; N136-L139 PolarHBondContact O-N 2.93Å; N136-L139 PolarHBondContact OD1-N 2.93Å; E137-L139 VanDerWaalsContact C-N 3.28Å; E137-L139 PolarHBondContact O-N 3.18Å; L139-R343 HydrophobicContact CD2-CB 3.72Å; L139-R343 HydrophobicContact CD2-CG 3.92Å; L139-I345 HydrophobicContact CD1-CD1 3.73Å; L139-I345 HydrophobicContact CD1-CG1 4.18Å; L139-I345 HydrophobicContact CD2-CD1 4.22Å; L139-I345 HydrophobicContact CD2-CG1 4.45Å
140	I	93	Very high	94.4	Very high	13 Å²	13	38.6 Å²	38.6	7%	0.067	19%	0.185	C	C	.	.	H	α-helix	trans	-79.1	-47.2	176.2	-68.6	172.9	0	0	0	110.3	I62 L129 L132 R133 E137 E138 N142 C143 F159	I62-I140 HydrophobicContact CD1-CG1 4.17Å; L129-I140 WeakPolarHBondContact O-CD1 3.36Å; L132-I140 HydrophobicContact CB-CD1 4.31Å; L132-I140 HydrophobicContact CD2-CD1 4.26Å; L132-I140 HydrophobicContact CD2-CG1 3.91Å; L132-I140 HydrophobicContact CG-CD1 4.19Å; L132-I140 HydrophobicContact CG-CG1 4.19Å; R133-I140 HydrophobicContact CB-CD1 3.61Å; R133-I140 HydrophobicContact CG-CD1 4.37Å; E137-I140 WeakPolarHBondContact O-CA 3.21Å; E137-I140 WeakPolarHBondContact O-CB 3.37Å; E137-I140 PolarHBondContact O-N 3.46Å; E138-I140 PolarHBondContact O-N 3.48Å; I140-N142 VanDerWaalsContact C-N 3.26Å; I140-N142 PolarHBondContact O-N 2.9Å; I140-C143 WeakPolarHBondContact O-CB 3.21Å; I140-C143 PolarHBondContact O-N 2.83Å; I140-F159 HydrophobicContact CG2-CE2 3.83Å; I140-F159 HydrophobicContact CG2-CZ 4.17Å
141	K	90.6	Very high	94.6	Very high	76 Å²	76	38.1 Å²	38.1	33%	0.33	18%	0.183	S	C	.	.	H	α-helix	trans	-60.9	-35.6	-179.7	-79.1	171.3	169.4	164.3	0	112.2	R24 E137 E138	R24-K141 PolarHBondContact NE-O 3.06Å; R24-K141 VanDerWaalsContact NE-O 3.1Å; R24-K141 PolarHBondContact NH2-O 3.47Å; E137-K141 HydrophobicContact CG-CD 3.87Å; E137-K141 HydrophobicContact CG-CG 4.11Å; E137-K141 PolarHBondContact O-N 3.32Å; E137-K141 VanDerWaalsContact OE1-CE 3.31Å; E137-K141 WeakPolarHBondContact OE1-CE 3.25Å; E137-K141 IonicContact OE1-NZ 2.83Å; E137-K141 WeakPolarHBondContact OE2-CE 3.23Å; E137-K141 IonicContact OE2-NZ 3.12Å; E137-K141 PolarHBondContact OE2-NZ 2.68Å; E138-K141 PolarHBondContact O-N 3.02Å; E138-K141 WeakPolarHBondContact OE1-CD 3.4Å; E138-K141 IonicContact OE1-NZ 2.79Å
142	N	91.7	Very high	94.8	Very high	37 Å²	37	37 Å²	37	20%	0.198	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	16.5	-177.8	-58.3	-37.9	0	0	0	113	K58 T59 S60 E138 I140 V144	K58-N142 VanDerWaalsContact O-CB 3.26Å; K58-N142 WeakPolarHBondContact O-CB 3.32Å; T59-N142 WeakPolarHBondContact CA-O 3.41Å; S60-N142 PolarHBondContact N-O 3.21Å; E138-N142 VanDerWaalsContact O-CB 3.26Å; E138-N142 WeakPolarHBondContact O-CB 3.44Å; E138-N142 PolarHBondContact O-N 3.19Å; E138-N142 PolarHBondContact O-ND2 3.46Å; E138-N142 PolarHBondContact OE2-ND2 3.16Å; I140-N142 VanDerWaalsContact C-N 3.26Å; I140-N142 PolarHBondContact O-N 2.9Å; N142-V144 PolarHBondContact O-N 2.84Å
143	C	93.1	Very high	94.9	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.014	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	119.5	172.1	-178.2	0	0	0	0	110.5	S60 I62 I140 V145 F159 I294	S60-C143 WeakPolarHBondContact O-CA 3.48Å; S60-C143 WeakPolarHBondContact OG-CA 3.39Å; S60-C143 WeakPolarHBondContact OG-CB 3.32Å; S60-C143 PolarHBondContact OG-N 2.9Å; I62-C143 HydrophobicContact CD1-CB 4.26Å; I62-C143 HydrophobicContact CG1-CB 4.31Å; I140-C143 WeakPolarHBondContact O-CB 3.21Å; I140-C143 PolarHBondContact O-N 2.83Å; C143-V145 PolarHBondContact SG-O 3.32Å; C143-V145 VanDerWaalsContact SG-O 3.37Å; C143-F159 HydrophobicContact CB-CE1 4.34Å; C143-F159 HydrophobicContact CB-CZ 4.2Å; C143-I294 HydrophobicContact CB-CD1 4.03Å; C143-I294 WeakPolarHBondContact O-CD1 3.45Å
144	V	91.6	Very high	95.1	Very high	34 Å²	34	34.1 Å²	34.1	21%	0.206	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	-22.8	-175.9	-68	0	0	0	0	113.1	T59 S60 N142 P295	T59-V144 HydrophobicContact CG2-CG1 3.86Å; S60-V144 WeakPolarHBondContact O-CG2 3.5Å; S60-V144 PolarHBondContact O-N 3.42Å; N142-V144 PolarHBondContact O-N 2.84Å; V144-P295 WeakPolarHBondContact O-CD 3.2Å
145	V	93.7	Very high	95.5	Very high	6 Å²	6	28.7 Å²	28.7	4%	0.036	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	150.6	176.4	59.1	0	0	0	0	109.7	I61 C143 P295 I297 L332	I61-V145 WeakPolarHBondContact CA-O 3.43Å; I61-V145 HydrophobicContact CB-CG1 4.47Å; I61-V145 HydrophobicContact CD1-CG1 3.75Å; I61-V145 HydrophobicContact CG1-CG1 3.64Å; I61-V145 HydrophobicContact CG2-CG1 4.25Å; C143-V145 PolarHBondContact SG-O 3.32Å; C143-V145 VanDerWaalsContact SG-O 3.37Å; V145-P295 HydrophobicContact CG2-CB 4.23Å; V145-P295 WeakPolarHBondContact CG2-O 3.45Å; V145-I297 HydrophobicContact CG2-CD1 3.91Å; V145-I297 HydrophobicContact CG2-CG1 3.67Å; V145-L332 HydrophobicContact CB-CD2 4.17Å; V145-L332 HydrophobicContact CG1-CD2 3.55Å; V145-L332 HydrophobicContact CG2-CD2 3.43Å; V145-L332 VanDerWaalsContact CG2-CD2 3.43Å
146	T	97.3	Very high	95.8	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	155.4	175.8	177.5	0	0	0	0	111.6	I62 F64 A156 F159 P295 V296 I297	I62-T146 WeakPolarHBondContact O-CA 3.36Å; I62-T146 WeakPolarHBondContact O-CB 3.44Å; I62-T146 PolarHBondContact O-OG1 2.85Å; F64-T146 WeakPolarHBondContact CD2-OG1 3.12Å; F64-T146 VanDerWaalsContact CE2-OG1 3.23Å; F64-T146 WeakPolarHBondContact CE2-OG1 3.45Å; T146-A156 HydrophobicContact CG2-CB 4.22Å; T146-F159 HydrophobicContact CG2-CD1 4.16Å; T146-P295 PolarHBondContact N-O 3.31Å; T146-V296 HydrophobicContact CG2-CB 4.24Å; T146-V296 HydrophobicContact CG2-CG1 4.43Å; T146-V296 HydrophobicContact CG2-CG2 3.66Å; T146-V296 WeakPolarHBondContact O-CA 3.43Å; T146-I297 PolarHBondContact O-N 3.47Å
147	A	98.3	Very high	96	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	159.8	174	0	0	0	0	0	110.3	I62 L63 F64 I297 W325 T328 L332	I62-A147 PolarHBondContact O-N 3.34Å; L63-A147 VanDerWaalsContact CA-O 3.31Å; L63-A147 WeakPolarHBondContact CA-O 3.42Å; L63-A147 HydrophobicContact CD2-CB 4.1Å; F64-A147 PolarHBondContact N-O 3.45Å; A147-I297 HydrophobicContact CB-CB 4.29Å; A147-W325 HydrophobicContact CB-CH2 4.26Å; A147-W325 HydrophobicContact CB-CZ3 4.09Å; A147-T328 HydrophobicContact CB-CG2 3.81Å; A147-L332 HydrophobicContact CB-CD1 3.99Å
148	G	98.7	Very high	96.2	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	153.4	174.5	0	0	0	0	0	113	F64 G152 E153 W325	F64-G148 CarbonylContact O-C 3.46Å; F64-G148 WeakPolarHBondContact O-CA 3.49Å; G148-G152 VanDerWaalsContact CA-C 3.48Å; G148-E153 WeakPolarHBondContact O-CG 3.48Å; G148-W325 VanDerWaalsContact C-CZ3 3.43Å; G148-W325 WeakPolarHBondContact O-CZ3 3.44Å
149	F	98.7	Very high	96.5	Very high	19 Å²	19	10.7 Å²	10.7	8%	0.083	5%	0.054	C	C	.	.	S	Bend	trans	-89	115	178.3	-173.8	-88.8	0	0	0	109.8	F64 G66 L151 G152 N227 L229 V323 W325 L353 M356	F64-F149 PolarHBondContact O-N 3.4Å; G66-F149 WeakPolarHBondContact CA-O 3.4Å; G66-F149 PolarHBondContact N-O 3.38Å; F149-L151 PolarHBondContact O-N 2.95Å; F149-L151 VanDerWaalsContact O-N 3.15Å; F149-G152 PolarHBondContact O-N 3.19Å; F149-N227 HydrophobicContact CZ-CB 4.23Å; F149-L229 HydrophobicContact CE2-CD2 3.7Å; F149-L229 HydrophobicContact CZ-CD2 3.8Å; F149-V323 HydrophobicContact CD2-CG1 3.96Å; F149-V323 HydrophobicContact CE2-CG1 3.98Å; F149-W325 HydrophobicContact CB-CD2 4.45Å; F149-W325 HydrophobicContact CB-CE3 4.27Å; F149-W325 HydrophobicContact CB-CZ3 4.34Å; F149-W325 HydrophobicContact CD2-CB 3.81Å; F149-W325 AromaticContact CD2-CD2 3.74Å; F149-W325 HydrophobicContact CD2-CD2 3.74Å; F149-W325 HydrophobicContact CD2-CE3 4.09Å; F149-W325 AromaticContact CD2-CG 3.6Å; F149-W325 HydrophobicContact CD2-CG 3.6Å; F149-W325 HydrophobicContact CE2-CB 3.85Å; F149-W325 HydrophobicContact CE2-CG 4.03Å; F149-L353 HydrophobicContact CB-CD2 3.72Å; F149-L353 HydrophobicContact CG-CD2 4.28Å; F149-M356 HydrophobicContact CD2-CE 4.4Å
150	S	98.2	Very high	96.6	Very high	7 Å²	7	9.4 Å²	9.4	5%	0.049	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	-116.7	179	-173.1	0	0	0	0	111.3	G152 E153 R175 H268 Q318	S150-G152 PolarHBondContact O-N 3.01Å; S150-E153 PolarHBondContact O-N 3.45Å; S150-R175 PolarHBondContact OG-NH2 3.34Å; S150-H268 WeakPolarHBondContact CB-NE2 3.37Å; S150-H268 PolarHBondContact OG-CE1 3.34Å; S150-H268 PolarHBondContact OG-NE2 2.93Å; S150-Q318 PolarHBondContact O-NE2 3.44Å
151	L	98.1	Very high	96.8	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-24.1	175.7	75.6	91.3	0	0	0	113.3	Q67 Q118 T121 F122 F149 E153 I154 I172	Q67-L151 HydrophobicContact CB-CD2 3.93Å; Q67-L151 VanDerWaalsContact N-CD2 3.31Å; Q118-L151 HydrophobicContact CB-CD2 3.81Å; Q118-L151 HydrophobicContact CG-CD2 3.61Å; T121-L151 HydrophobicContact CG2-CD1 3.93Å; F122-L151 HydrophobicContact CB-CD1 4.5Å; F149-L151 PolarHBondContact O-N 2.95Å; F149-L151 VanDerWaalsContact O-N 3.15Å; L151-E153 PolarHBondContact O-N 2.85Å; L151-E153 VanDerWaalsContact O-N 3.17Å; L151-I154 WeakPolarHBondContact O-CB 3.44Å; L151-I154 PolarHBondContact O-N 3.46Å; L151-I172 HydrophobicContact CB-CD1 3.8Å; L151-I172 HydrophobicContact CD1-CD1 4.37Å
152	G	98.7	Very high	97.2	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-57	-27.4	176.1	0	0	0	0	0	113	F64 P65 G148 F149 S150 I154 S155 A156	F64-G152 VanDerWaalsContact CB-O 3.31Å; F64-G152 WeakPolarHBondContact CB-O 3.37Å; P65-G152 WeakPolarHBondContact O-CA 3.26Å; G148-G152 VanDerWaalsContact CA-C 3.48Å; F149-G152 PolarHBondContact O-N 3.19Å; S150-G152 PolarHBondContact O-N 3.01Å; G152-I154 PolarHBondContact O-N 3.08Å; G152-S155 WeakPolarHBondContact O-CB 3.17Å; G152-S155 PolarHBondContact O-N 2.93Å; G152-S155 VanDerWaalsContact O-N 3.13Å; G152-A156 PolarHBondContact O-N 3.09Å
153	E	98.7	Very high	97.5	Very high	0 Å²	0	4 Å²	4	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-61.7	-31.7	175.8	-65.5	-172.5	-119.3	0	0	112	G148 S150 L151 A156 L157 S298 A299 Y305 Q318	G148-E153 WeakPolarHBondContact O-CG 3.48Å; S150-E153 PolarHBondContact O-N 3.45Å; L151-E153 PolarHBondContact O-N 2.85Å; L151-E153 VanDerWaalsContact O-N 3.17Å; E153-A156 PolarHBondContact O-N 3.21Å; E153-L157 VanDerWaalsContact O-CG 3.31Å; E153-L157 WeakPolarHBondContact O-CG 3.43Å; E153-L157 PolarHBondContact O-N 2.81Å; E153-S298 WeakPolarHBondContact OE2-CA 3.28Å; E153-A299 WeakPolarHBondContact OE1-CB 3.49Å; E153-A299 PolarHBondContact OE1-N 3.15Å; E153-A299 PolarHBondContact OE2-N 3.22Å; E153-Y305 WeakPolarHBondContact OE2-CE2 3.23Å; E153-Y305 PolarHBondContact OE2-OH 3.34Å; E153-Q318 PolarHBondContact OE1-NE2 2.69Å
154	I	98.8	Very high	97.7	Very high	1 Å²	1	6.2 Å²	6.2	1%	0.005	4%	0.038	C	C	.	.	H	α-helix	trans	-71.4	-40	176	-60.6	159.3	0	0	0	110	F122 L151 G152 A156 L157 V158 L163 I171 I172 L315	F122-I154 HydrophobicContact CD2-CG2 4.31Å; F122-I154 HydrophobicContact CE2-CG2 3.97Å; L151-I154 WeakPolarHBondContact O-CB 3.44Å; L151-I154 PolarHBondContact O-N 3.46Å; G152-I154 PolarHBondContact O-N 3.08Å; I154-A156 VanDerWaalsContact C-N 3.32Å; I154-A156 PolarHBondContact O-N 2.88Å; I154-L157 PolarHBondContact O-N 2.81Å; I154-V158 WeakPolarHBondContact O-CG2 3.48Å; I154-V158 PolarHBondContact O-N 2.91Å; I154-L163 HydrophobicContact CG2-CD1 4.19Å; I154-I171 HydrophobicContact CD1-CG2 3.68Å; I154-I171 HydrophobicContact CG1-CG2 4.19Å; I154-I172 HydrophobicContact CB-CD1 4Å; I154-I172 HydrophobicContact CB-CG1 4.18Å; I154-I172 HydrophobicContact CD1-CD1 3.35Å; I154-I172 HydrophobicContact CD1-CG1 3.89Å; I154-I172 HydrophobicContact CG1-CD1 4.25Å; I154-I172 HydrophobicContact CG2-CD1 4.25Å; I154-I172 HydrophobicContact CG2-CG1 3.86Å; I154-L315 HydrophobicContact CG1-CD2 3.78Å
155	S	98.8	Very high	97.9	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-60.9	-42.3	172.5	-48.2	0	0	0	0	111.4	F64 F122 G152 L157 V158 F159	F64-S155 VanDerWaalsContact CD1-CB 3.44Å; F122-S155 WeakPolarHBondContact CD2-OG 3.29Å; G152-S155 WeakPolarHBondContact O-CB 3.17Å; G152-S155 PolarHBondContact O-N 2.93Å; G152-S155 VanDerWaalsContact O-N 3.13Å; S155-L157 PolarHBondContact O-N 3.14Å; S155-V158 PolarHBondContact O-N 2.54Å; S155-F159 WeakPolarHBondContact O-CB 3.2Å; S155-F159 PolarHBondContact O-N 3.18Å
156	A	98.8	Very high	98	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-64.4	-36.8	176.9	0	0	0	0	0	112.8	F64 T146 G152 E153 I154 F159 S160 V296	F64-A156 HydrophobicContact CD2-CB 3.6Å; F64-A156 HydrophobicContact CE2-CB 4.08Å; F64-A156 HydrophobicContact CG-CB 4.32Å; T146-A156 HydrophobicContact CG2-CB 4.22Å; G152-A156 PolarHBondContact O-N 3.09Å; E153-A156 PolarHBondContact O-N 3.21Å; I154-A156 VanDerWaalsContact C-N 3.32Å; I154-A156 PolarHBondContact O-N 2.88Å; A156-F159 PolarHBondContact O-N 2.9Å; A156-S160 WeakPolarHBondContact O-CB 3.2Å; A156-S160 PolarHBondContact O-N 3.26Å; A156-S160 PolarHBondContact O-OG 3.16Å; A156-V296 HydrophobicContact CB-CG1 3.69Å
157	L	98.8	Very high	98	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-69.6	-34.4	174.6	-75.4	166.1	0	0	0	113.1	E153 I154 S155 S160 G161 A162 L163 P292 V296 Y305 I311 L315	E153-L157 VanDerWaalsContact O-CG 3.31Å; E153-L157 WeakPolarHBondContact O-CG 3.43Å; E153-L157 PolarHBondContact O-N 2.81Å; I154-L157 PolarHBondContact O-N 2.81Å; S155-L157 PolarHBondContact O-N 3.14Å; L157-S160 PolarHBondContact O-OG 2.96Å; L157-S160 VanDerWaalsContact O-OG 3.06Å; L157-G161 PolarHBondContact O-N 3.07Å; L157-A162 HydrophobicContact CB-CB 4.46Å; L157-A162 HydrophobicContact CD2-CB 3.94Å; L157-A162 WeakPolarHBondContact O-CB 3.3Å; L157-A162 PolarHBondContact O-N 2.95Å; L157-L163 HydrophobicContact CB-CD1 3.73Å; L157-L163 HydrophobicContact CB-CG 4.03Å; L157-L163 HydrophobicContact CD1-CD1 4.18Å; L157-L163 PolarHBondContact O-N 2.9Å; L157-L163 VanDerWaalsContact O-N 3.16Å; L157-P292 HydrophobicContact CD2-CG 4.45Å; L157-V296 HydrophobicContact CD2-CB 4.26Å; L157-V296 HydrophobicContact CD2-CG1 4.29Å; L157-V296 HydrophobicContact CD2-CG2 4.16Å; L157-V296 HydrophobicContact CG-CG1 4.25Å; L157-Y305 HydrophobicContact CD1-CE1 4.36Å; L157-Y305 HydrophobicContact CD1-CE2 4.35Å; L157-Y305 HydrophobicContact CD2-CD1 4.43Å; L157-Y305 HydrophobicContact CD2-CD2 4Å; L157-Y305 HydrophobicContact CD2-CG 3.95Å; L157-Y305 HydrophobicContact CG-CD2 4.49Å; L157-I311 HydrophobicContact CD1-CG2 3.99Å; L157-I311 HydrophobicContact CD2-CD1 4.25Å; L157-I311 HydrophobicContact CD2-CG1 4.23Å; L157-I311 HydrophobicContact CD2-CG2 4.49Å; L157-L315 HydrophobicContact CD1-CD1 3.95Å; L157-L315 HydrophobicContact CD1-CD2 3.86Å; L157-L315 HydrophobicContact CD1-CG 4.13Å
158	V	98.7	Very high	98	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-68.6	-44	172.1	175.3	0	0	0	0	110.5	N20 F22 F122 L126 I154 S155 S160 G161 L163 T164	N20-V158 PolarHBondContact ND2-O 3.37Å; F22-V158 HydrophobicContact CD2-CG1 4.43Å; F22-V158 HydrophobicContact CE2-CG1 4.49Å; F122-V158 HydrophobicContact CE2-CG2 3.84Å; F122-V158 HydrophobicContact CZ-CG2 3.92Å; L126-V158 HydrophobicContact CD1-CB 4.13Å; L126-V158 HydrophobicContact CD1-CG1 3.68Å; L126-V158 HydrophobicContact CD2-CB 4.18Å; L126-V158 HydrophobicContact CD2-CG1 4.07Å; I154-V158 WeakPolarHBondContact O-CG2 3.48Å; I154-V158 PolarHBondContact O-N 2.91Å; S155-V158 PolarHBondContact O-N 2.54Å; V158-S160 VanDerWaalsContact C-N 3.34Å; V158-S160 PolarHBondContact O-N 3Å; V158-G161 PolarHBondContact O-N 2.67Å; V158-L163 WeakPolarHBondContact CA-O 3.39Å; V158-L163 HydrophobicContact CG2-CB 3.81Å; V158-T164 WeakPolarHBondContact CG2-O 3.29Å
159	F	98.3	Very high	97.9	Very high	3 Å²	3	8.6 Å²	8.6	1%	0.013	5%	0.046	C	C	.	.	H	α-helix	trans	-59.6	-41.8	176.5	172.9	-119.7	0	0	0	112.6	F22 I62 F64 L129 I140 C143 T146 S155 A156 G161 I294	F22-F159 HydrophobicContact CB-CD2 4.11Å; F22-F159 VanDerWaalsContact CB-O 3.29Å; F22-F159 WeakPolarHBondContact CB-O 3.31Å; F22-F159 AromaticContact CD1-CD2 3.98Å; F22-F159 HydrophobicContact CD1-CD2 3.98Å; F22-F159 HydrophobicContact CD1-CE2 4.41Å; F22-F159 HydrophobicContact CG-CD2 4.04Å; I62-F159 HydrophobicContact CB-CE1 4.22Å; I62-F159 HydrophobicContact CD1-CE1 3.99Å; I62-F159 HydrophobicContact CD1-CE2 4.31Å; I62-F159 HydrophobicContact CD1-CZ 3.63Å; I62-F159 HydrophobicContact CG1-CE1 4.45Å; F64-F159 HydrophobicContact CE1-CB 4.44Å; F64-F159 HydrophobicContact CE2-CB 4.03Å; F64-F159 AromaticContact CE2-CD1 3.83Å; F64-F159 HydrophobicContact CE2-CD1 3.83Å; F64-F159 HydrophobicContact CE2-CG 4.12Å; F64-F159 HydrophobicContact CZ-CB 3.59Å; F64-F159 AromaticContact CZ-CD1 3.88Å; F64-F159 HydrophobicContact CZ-CD1 3.88Å; F64-F159 AromaticContact CZ-CG 3.72Å; F64-F159 HydrophobicContact CZ-CG 3.72Å; L129-F159 HydrophobicContact CD1-CB 3.86Å; L129-F159 HydrophobicContact CD1-CD2 3.55Å; L129-F159 HydrophobicContact CD1-CE2 4.42Å; L129-F159 HydrophobicContact CD1-CG 3.92Å; L129-F159 HydrophobicContact CD2-CD2 4.09Å; L129-F159 HydrophobicContact CD2-CE2 4.23Å; L129-F159 HydrophobicContact CG-CD2 4.42Å; I140-F159 HydrophobicContact CG2-CE2 3.83Å; I140-F159 HydrophobicContact CG2-CZ 4.17Å; C143-F159 HydrophobicContact CB-CE1 4.34Å; C143-F159 HydrophobicContact CB-CZ 4.2Å; T146-F159 HydrophobicContact CG2-CD1 4.16Å; S155-F159 WeakPolarHBondContact O-CB 3.2Å; S155-F159 PolarHBondContact O-N 3.18Å; A156-F159 PolarHBondContact O-N 2.9Å; F159-G161 PolarHBondContact O-N 3.17Å; F159-I294 HydrophobicContact CE1-CD1 4.39Å; F159-I294 HydrophobicContact CZ-CD1 4.44Å
160	S	97.1	Very high	97.8	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-4.9	177.6	71.9	0	0	0	0	113.8	A156 L157 V158 A162 S293 V296	A156-S160 WeakPolarHBondContact O-CB 3.2Å; A156-S160 PolarHBondContact O-N 3.26Å; A156-S160 PolarHBondContact O-OG 3.16Å; L157-S160 PolarHBondContact O-OG 2.96Å; L157-S160 VanDerWaalsContact O-OG 3.06Å; V158-S160 VanDerWaalsContact C-N 3.34Å; V158-S160 PolarHBondContact O-N 3Å; S160-A162 VanDerWaalsContact C-N 3.28Å; S160-A162 PolarHBondContact O-N 2.88Å; S160-S293 WeakPolarHBondContact O-CB 3.48Å; S160-S293 PolarHBondContact O-N 2.99Å; S160-S293 PolarHBondContact O-OG 3.38Å; S160-V296 VanDerWaalsContact CB-CG2 3.44Å; S160-V296 VanDerWaalsContact OG-CG2 3.29Å; S160-V296 WeakPolarHBondContact OG-CG2 3.44Å
161	G	97	Very high	97.8	Very high	10 Å²	10	10.1 Å²	10.1	10%	0.103	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.3	3.7	-177.5	0	0	0	0	0	114.6	L157 V158 F159 L163 Q290	L157-G161 PolarHBondContact O-N 3.07Å; V158-G161 PolarHBondContact O-N 2.67Å; F159-G161 PolarHBondContact O-N 3.17Å; G161-L163 VanDerWaalsContact C-N 3.34Å; G161-Q290 WeakPolarHBondContact O-CB 3.38Å
162	A	98.2	Very high	97.8	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.053	C	C	.	.	S	Bend	trans	-67.4	-36.2	177.6	0	0	0	0	0	112.2	L157 S160 F289 Q290 P292 I311	L157-A162 HydrophobicContact CB-CB 4.46Å; L157-A162 HydrophobicContact CD2-CB 3.94Å; L157-A162 WeakPolarHBondContact O-CB 3.3Å; L157-A162 PolarHBondContact O-N 2.95Å; S160-A162 VanDerWaalsContact C-N 3.28Å; S160-A162 PolarHBondContact O-N 2.88Å; A162-F289 WeakPolarHBondContact O-CB 3.44Å; A162-Q290 WeakPolarHBondContact CA-O 3.16Å; A162-Q290 WeakPolarHBondContact CB-O 3.42Å; A162-Q290 PolarHBondContact O-N 3.36Å; A162-P292 HydrophobicContact CB-CB 4.32Å; A162-P292 HydrophobicContact CB-CG 3.87Å; A162-I311 HydrophobicContact CB-CD1 4.06Å
163	L	98.4	Very high	97.7	Very high	1 Å²	1	12.6 Å²	12.6	1%	0.005	6%	0.062	C	C	.	.	S	Bend	trans	-117.2	149.4	174.7	-62.3	175.1	0	0	0	110.4	N20 I154 L157 V158 G161 E167 I171 F289	N20-L163 PolarHBondContact ND2-O 3.03Å; I154-L163 HydrophobicContact CG2-CD1 4.19Å; L157-L163 HydrophobicContact CB-CD1 3.73Å; L157-L163 HydrophobicContact CB-CG 4.03Å; L157-L163 HydrophobicContact CD1-CD1 4.18Å; L157-L163 PolarHBondContact O-N 2.9Å; L157-L163 VanDerWaalsContact O-N 3.16Å; V158-L163 WeakPolarHBondContact CA-O 3.39Å; V158-L163 HydrophobicContact CG2-CB 3.81Å; G161-L163 VanDerWaalsContact C-N 3.34Å; L163-E167 WeakPolarHBondContact CA-OE2 3.48Å; L163-E167 HydrophobicContact CB-CB 4.31Å; L163-E167 HydrophobicContact CD2-CB 4.3Å; L163-I171 HydrophobicContact CD1-CD1 3.83Å; L163-I171 HydrophobicContact CD2-CD1 4.09Å; L163-F289 HydrophobicContact CD2-CB 4.33Å; L163-F289 HydrophobicContact CD2-CD1 3.46Å; L163-F289 VanDerWaalsContact CD2-CD1 3.46Å; L163-F289 HydrophobicContact CD2-CD2 3.79Å; L163-F289 HydrophobicContact CD2-CE1 3.56Å; L163-F289 HydrophobicContact CD2-CE2 3.86Å; L163-F289 HydrophobicContact CD2-CG 3.59Å; L163-F289 HydrophobicContact CD2-CZ 3.76Å
164	T	97.1	Very high	97.7	Very high	49 Å²	49	13.2 Å²	13.2	30%	0.301	7%	0.066	S	C	.	.			trans	-75.3	168	162.6	85.7	0	0	0	0	111.2	V158 E166 E167 G168	V158-T164 WeakPolarHBondContact CG2-O 3.29Å; T164-E166 VanDerWaalsContact C-N 3.3Å; T164-E166 WeakPolarHBondContact CB-OE2 3.3Å; T164-E166 PolarHBondContact O-N 3.21Å; T164-E166 PolarHBondContact OG1-N 3.09Å; T164-E166 PolarHBondContact OG1-OE2 3.07Å; T164-E167 HydrophobicContact CG2-CG 4.46Å; T164-E167 PolarHBondContact N-OE2 2.98Å; T164-E167 PolarHBondContact O-N 2.89Å; T164-E167 PolarHBondContact OG1-N 2.98Å; T164-G168 PolarHBondContact O-N 3.29Å
165	Y	96.3	Very high	97.7	Very high	9 Å²	9	13.2 Å²	13.2	4%	0.035	7%	0.066	C	C	.	.	H	α-helix	trans	-58.1	-44.9	174.8	175.5	-108.4	0	0	0	111.6	L17 M87 C90 F122 L126 G168 L169	L17-Y165 HydrophobicContact CD1-CD1 4.09Å; L17-Y165 HydrophobicContact CD1-CG 4.16Å; M87-Y165 HydrophobicContact CE-CD2 4.26Å; M87-Y165 HydrophobicContact CE-CE2 3.78Å; M87-Y165 PolarHBondContact O-OH 2.88Å; C90-Y165 HydrophobicContact CB-CE1 4.15Å; F122-Y165 HydrophobicContact CE1-CD2 4.1Å; F122-Y165 AromaticContact CE1-CE2 3.88Å; F122-Y165 HydrophobicContact CE1-CE2 3.88Å; F122-Y165 HydrophobicContact CZ-CD2 4.35Å; L126-Y165 HydrophobicContact CD1-CD2 3.61Å; L126-Y165 HydrophobicContact CD1-CE2 3.98Å; Y165-G168 PolarHBondContact O-N 2.93Å; Y165-L169 HydrophobicContact CE1-CD2 4.34Å; Y165-L169 VanDerWaalsContact O-CB 3.29Å; Y165-L169 WeakPolarHBondContact O-CB 3.43Å; Y165-L169 PolarHBondContact O-N 3.03Å
166	E	95.4	Very high	97.6	Very high	37 Å²	37	13.3 Å²	13.3	17%	0.173	7%	0.066	C	C	.	.	H	α-helix	trans	-66.5	-42.9	-179.2	-57.8	73.8	-161.4	0	0	111.3	T164 L169 H170	T164-E166 VanDerWaalsContact C-N 3.3Å; T164-E166 WeakPolarHBondContact CB-OE2 3.3Å; T164-E166 PolarHBondContact O-N 3.21Å; T164-E166 PolarHBondContact OG1-N 3.09Å; T164-E166 PolarHBondContact OG1-OE2 3.07Å; E166-L169 PolarHBondContact O-N 3.39Å; E166-H170 VanDerWaalsContact O-CB 3.3Å; E166-H170 WeakPolarHBondContact O-CB 3.43Å; E166-H170 PolarHBondContact O-N 3.26Å
167	E	96.8	Very high	97.6	Very high	44 Å²	44	17.7 Å²	17.7	21%	0.206	9%	0.087	C	C	.	.	H	α-helix	trans	-61.2	-48.4	174.2	-71	179.4	140.7	0	0	111.1	L163 T164 L169 H170 I171 M286	L163-E167 WeakPolarHBondContact CA-OE2 3.48Å; L163-E167 HydrophobicContact CB-CB 4.31Å; L163-E167 HydrophobicContact CD2-CB 4.3Å; T164-E167 HydrophobicContact CG2-CG 4.46Å; T164-E167 PolarHBondContact N-OE2 2.98Å; T164-E167 PolarHBondContact O-N 2.89Å; T164-E167 PolarHBondContact OG1-N 2.98Å; E167-L169 PolarHBondContact O-N 2.87Å; E167-H170 PolarHBondContact O-N 3.42Å; E167-I171 WeakPolarHBondContact O-CB 3.47Å; E167-I171 WeakPolarHBondContact O-CD1 3.01Å; E167-I171 WeakPolarHBondContact O-CG1 3.05Å; E167-I171 PolarHBondContact O-N 2.9Å; E167-M286 HydrophobicContact CB-CE 3.69Å; E167-M286 HydrophobicContact CG-CE 3.8Å
168	G	98	Very high	97.5	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-59.9	-44.4	176.9	0	0	0	0	0	112.3	T164 Y165 I171 I172	T164-G168 PolarHBondContact O-N 3.29Å; Y165-G168 PolarHBondContact O-N 2.93Å; G168-I171 PolarHBondContact O-N 3.25Å; G168-I172 WeakPolarHBondContact O-CB 3.27Å; G168-I172 VanDerWaalsContact O-CG1 3.28Å; G168-I172 WeakPolarHBondContact O-CG1 3.49Å; G168-I172 PolarHBondContact O-N 3.46Å
169	L	96.9	Very high	97.5	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-66.3	-41.8	178.8	-174.7	62.5	0	0	0	112.1	A91 I94 L95 F122 I123 Y165 E166 E167 I172 R173	A91-L169 HydrophobicContact CB-CD2 3.87Å; I94-L169 HydrophobicContact CB-CD2 3.94Å; I94-L169 HydrophobicContact CD1-CD2 3.67Å; I94-L169 HydrophobicContact CG1-CD2 4.38Å; I94-L169 HydrophobicContact CG2-CD2 4Å; I94-L169 HydrophobicContact CG2-CG 4.18Å; L95-L169 HydrophobicContact CD1-CD1 4.31Å; L95-L169 HydrophobicContact CD2-CD1 4.23Å; L95-L169 HydrophobicContact CG-CD1 4.37Å; F122-L169 HydrophobicContact CD1-CD1 4.02Å; F122-L169 HydrophobicContact CE1-CB 3.87Å; F122-L169 HydrophobicContact CE1-CD1 4.13Å; I123-L169 HydrophobicContact CD1-CD1 4.34Å; I123-L169 HydrophobicContact CG1-CD1 4.29Å; Y165-L169 HydrophobicContact CE1-CD2 4.34Å; Y165-L169 VanDerWaalsContact O-CB 3.29Å; Y165-L169 WeakPolarHBondContact O-CB 3.43Å; Y165-L169 PolarHBondContact O-N 3.03Å; E166-L169 PolarHBondContact O-N 3.39Å; E167-L169 PolarHBondContact O-N 2.87Å; L169-I172 PolarHBondContact O-N 3.13Å; L169-R173 WeakPolarHBondContact O-CB 3.48Å; L169-R173 PolarHBondContact O-N 2.96Å
170	H	96.9	Very high	97.4	Very high	57 Å²	57	19.5 Å²	19.5	26%	0.264	10%	0.096	S	C	.	.	H	α-helix	trans	-61.2	-46.3	174.8	175.4	71.4	0	0	0	111.4	E166 E167 I172 R173 V174 S282	E166-H170 VanDerWaalsContact O-CB 3.3Å; E166-H170 WeakPolarHBondContact O-CB 3.43Å; E166-H170 PolarHBondContact O-N 3.26Å; E167-H170 PolarHBondContact O-N 3.42Å; H170-I172 VanDerWaalsContact C-N 3.34Å; H170-I172 PolarHBondContact O-N 3.31Å; H170-R173 PolarHBondContact CE1-NH2 3.18Å; H170-R173 VanDerWaalsContact CE1-NH2 3.31Å; H170-R173 PolarHBondContact ND1-NH2 3.27Å; H170-R173 PolarHBondContact O-N 3.43Å; H170-V174 WeakPolarHBondContact O-CG2 3.31Å; H170-V174 PolarHBondContact O-N 3.29Å; H170-S282 PolarHBondContact NE2-OG 3.4Å
171	I	98.3	Very high	97.4	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.005	12%	0.119	C	C	.	.	H	α-helix	trans	-60.1	-45.4	176.5	-67.7	165.3	0	0	0	110.4	I154 L163 E167 G168 V174 R175 I279 L283 M286 F289 L315	I154-I171 HydrophobicContact CD1-CG2 3.68Å; I154-I171 HydrophobicContact CG1-CG2 4.19Å; L163-I171 HydrophobicContact CD1-CD1 3.83Å; L163-I171 HydrophobicContact CD2-CD1 4.09Å; E167-I171 WeakPolarHBondContact O-CB 3.47Å; E167-I171 WeakPolarHBondContact O-CD1 3.01Å; E167-I171 WeakPolarHBondContact O-CG1 3.05Å; E167-I171 PolarHBondContact O-N 2.9Å; G168-I171 PolarHBondContact O-N 3.25Å; I171-V174 PolarHBondContact O-N 2.91Å; I171-R175 WeakPolarHBondContact O-CB 3.37Å; I171-R175 PolarHBondContact O-N 3.33Å; I171-I279 HydrophobicContact CG2-CD1 4.2Å; I171-L283 HydrophobicContact CD1-CD2 3.72Å; I171-L283 HydrophobicContact CG1-CD2 3.83Å; I171-L283 HydrophobicContact CG2-CD2 4.45Å; I171-M286 HydrophobicContact CD1-CE 3.92Å; I171-M286 HydrophobicContact CD1-SD 4Å; I171-M286 HydrophobicContact CG1-CE 3.9Å; I171-M286 HydrophobicContact CG1-SD 3.65Å; I171-F289 HydrophobicContact CD1-CZ 4.25Å; I171-L315 HydrophobicContact CD1-CD1 4.33Å; I171-L315 HydrophobicContact CG2-CD1 4.49Å
172	I	97.9	Very high	97.4	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-63.3	-43.8	178.8	-73.9	-74.6	0	0	0	111.8	Q118 P119 F122 L151 I154 G168 L169 H170 R175 A176	Q118-I172 HydrophobicContact CB-CG2 4.16Å; P119-I172 HydrophobicContact CB-CG2 4.13Å; P119-I172 HydrophobicContact CG-CG2 3.91Å; F122-I172 HydrophobicContact CB-CD1 4.3Å; F122-I172 HydrophobicContact CB-CG1 4.05Å; F122-I172 HydrophobicContact CB-CG2 4.29Å; F122-I172 HydrophobicContact CD1-CG1 4.48Å; F122-I172 HydrophobicContact CD2-CD1 4.4Å; F122-I172 HydrophobicContact CD2-CG1 3.82Å; F122-I172 HydrophobicContact CE2-CG1 4.4Å; F122-I172 HydrophobicContact CG-CG1 3.87Å; L151-I172 HydrophobicContact CB-CD1 3.8Å; L151-I172 HydrophobicContact CD1-CD1 4.37Å; I154-I172 HydrophobicContact CB-CD1 4Å; I154-I172 HydrophobicContact CB-CG1 4.18Å; I154-I172 HydrophobicContact CD1-CD1 3.35Å; I154-I172 HydrophobicContact CD1-CG1 3.89Å; I154-I172 HydrophobicContact CG1-CD1 4.25Å; I154-I172 HydrophobicContact CG2-CD1 4.25Å; I154-I172 HydrophobicContact CG2-CG1 3.86Å; G168-I172 WeakPolarHBondContact O-CB 3.27Å; G168-I172 VanDerWaalsContact O-CG1 3.28Å; G168-I172 WeakPolarHBondContact O-CG1 3.49Å; G168-I172 PolarHBondContact O-N 3.46Å; L169-I172 PolarHBondContact O-N 3.13Å; H170-I172 VanDerWaalsContact C-N 3.34Å; H170-I172 PolarHBondContact O-N 3.31Å; I172-R175 PolarHBondContact O-N 3.01Å; I172-A176 VanDerWaalsContact O-CB 3.22Å; I172-A176 WeakPolarHBondContact O-CB 3.42Å; I172-A176 PolarHBondContact O-N 2.94Å
173	R	97.3	Very high	97.2	Very high	53 Å²	53	24.7 Å²	24.7	20%	0.2	12%	0.117	C	C	.	.	H	α-helix	trans	-59	-53.5	177.3	-175.8	-174.9	60	71.9	2.8	110.7	L95 L169 H170 R175 A176 E177	L95-R173 HydrophobicContact CD2-CB 3.84Å; L95-R173 HydrophobicContact CD2-CG 3.79Å; L169-R173 WeakPolarHBondContact O-CB 3.48Å; L169-R173 PolarHBondContact O-N 2.96Å; H170-R173 PolarHBondContact CE1-NH2 3.18Å; H170-R173 VanDerWaalsContact CE1-NH2 3.31Å; H170-R173 PolarHBondContact ND1-NH2 3.27Å; H170-R173 PolarHBondContact O-N 3.43Å; R173-R175 VanDerWaalsContact C-N 3.34Å; R173-R175 PolarHBondContact O-N 3.39Å; R173-A176 PolarHBondContact O-N 3Å; R173-E177 VanDerWaalsContact CG-OE1 3.26Å; R173-E177 WeakPolarHBondContact CG-OE1 3.19Å; R173-E177 IonicContact NH1-OE1 3.6Å; R173-E177 PolarHBondContact NH1-OE1 3.04Å; R173-E177 VanDerWaalsContact NH1-OE1 3.12Å; R173-E177 IonicContact NH1-OE2 3.83Å; R173-E177 PolarHBondContact NH1-OE2 3.06Å; R173-E177 VanDerWaalsContact NH1-OE2 3.11Å; R173-E177 WeakPolarHBondContact O-CB 3.33Å; R173-E177 WeakPolarHBondContact O-CG 3.47Å; R173-E177 PolarHBondContact O-N 3.23Å
174	V	98.2	Very high	97	Very high	12 Å²	12	30.1 Å²	30.1	7%	0.073	15%	0.146	C	C	.	.	H	α-helix	trans	-61.4	-42.8	178.9	174.7	0	0	0	0	111.2	H170 I171 A176 A178 I278	H170-V174 WeakPolarHBondContact O-CG2 3.31Å; H170-V174 PolarHBondContact O-N 3.29Å; I171-V174 PolarHBondContact O-N 2.91Å; V174-A176 PolarHBondContact O-N 3.37Å; V174-A178 WeakPolarHBondContact O-CB 3.31Å; V174-A178 PolarHBondContact O-N 3.46Å; V174-I278 HydrophobicContact CG1-CG2 4.07Å
175	R	98.3	Very high	96.8	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.008	15%	0.153	C	C	.	.	H	α-helix	trans	-57.6	-49.3	176.3	-179.3	179.5	-171.6	-83.1	4.8	111.4	S150 I171 I172 R173 A178 M179 I279 I319	S150-R175 PolarHBondContact OG-NH2 3.34Å; I171-R175 WeakPolarHBondContact O-CB 3.37Å; I171-R175 PolarHBondContact O-N 3.33Å; I172-R175 PolarHBondContact O-N 3.01Å; R173-R175 VanDerWaalsContact C-N 3.34Å; R173-R175 PolarHBondContact O-N 3.39Å; R175-A178 PolarHBondContact O-N 2.71Å; R175-M179 HydrophobicContact CG-SD 3.81Å; R175-M179 VanDerWaalsContact O-CB 3.32Å; R175-M179 WeakPolarHBondContact O-CB 3.39Å; R175-M179 VanDerWaalsContact O-CG 3.23Å; R175-M179 WeakPolarHBondContact O-CG 3.44Å; R175-M179 PolarHBondContact O-N 2.87Å; R175-I279 HydrophobicContact CB-CD1 3.8Å; R175-I279 HydrophobicContact CG-CD1 4.12Å; R175-I319 HydrophobicContact CG-CD1 3.9Å
176	A	97.6	Very high	96.5	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.008	18%	0.178	C	C	.	.	H	α-helix	trans	-67.2	-44.9	-175.5	0	0	0	0	0	111.9	Q118 I172 R173 V174 Q180	Q118-A176 HydrophobicContact CB-CB 3.96Å; Q118-A176 HydrophobicContact CG-CB 4.31Å; I172-A176 VanDerWaalsContact O-CB 3.22Å; I172-A176 WeakPolarHBondContact O-CB 3.42Å; I172-A176 PolarHBondContact O-N 2.94Å; R173-A176 PolarHBondContact O-N 3Å; V174-A176 PolarHBondContact O-N 3.37Å; A176-Q180 WeakPolarHBondContact O-CB 3.12Å; A176-Q180 PolarHBondContact O-N 2.98Å
177	E	97.3	Very high	96.5	Very high	93 Å²	93	38.9 Å²	38.9	44%	0.435	19%	0.19	S	C	.	.	H	α-helix	trans	-60.7	-48.4	174.5	-71.1	168.2	-174.8	0	0	111.4	R173 M179 Q180 K181	R173-E177 VanDerWaalsContact CG-OE1 3.26Å; R173-E177 WeakPolarHBondContact CG-OE1 3.19Å; R173-E177 IonicContact NH1-OE1 3.6Å; R173-E177 PolarHBondContact NH1-OE1 3.04Å; R173-E177 VanDerWaalsContact NH1-OE1 3.12Å; R173-E177 IonicContact NH1-OE2 3.83Å; R173-E177 PolarHBondContact NH1-OE2 3.06Å; R173-E177 VanDerWaalsContact NH1-OE2 3.11Å; R173-E177 WeakPolarHBondContact O-CB 3.33Å; R173-E177 WeakPolarHBondContact O-CG 3.47Å; R173-E177 PolarHBondContact O-N 3.23Å; E177-M179 PolarHBondContact O-N 3.31Å; E177-Q180 PolarHBondContact O-N 3.02Å; E177-K181 WeakPolarHBondContact O-CB 3.34Å; E177-K181 PolarHBondContact O-N 3.47Å
178	A	98.3	Very high	96.5	Very high	4 Å²	4	36.8 Å²	36.8	3%	0.033	18%	0.181	C	C	.	.	H	α-helix	trans	-64.7	-42.4	-178.6	0	0	0	0	0	112.2	V174 R175 K181 A182 A275 I278	V174-A178 WeakPolarHBondContact O-CB 3.31Å; V174-A178 PolarHBondContact O-N 3.46Å; R175-A178 PolarHBondContact O-N 2.71Å; A178-K181 PolarHBondContact O-N 3.05Å; A178-A182 PolarHBondContact O-N 3.11Å; A178-A275 HydrophobicContact CB-CB 4.01Å; A178-A275 WeakPolarHBondContact O-CB 3.5Å; A178-I278 HydrophobicContact CB-CB 3.9Å; A178-I278 HydrophobicContact CB-CD1 4.11Å; A178-I278 HydrophobicContact CB-CG2 3.85Å
179	M	97.8	Very high	96.5	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	19%	0.185	C	C	.	.	H	α-helix	trans	-67.6	-40.9	176.9	-72.8	179.7	70.2	0	0	111.8	T114 R175 E177 A182 C183 F267 A275 I319	T114-M179 HydrophobicContact CG2-CB 4.24Å; R175-M179 HydrophobicContact CG-SD 3.81Å; R175-M179 VanDerWaalsContact O-CB 3.32Å; R175-M179 WeakPolarHBondContact O-CB 3.39Å; R175-M179 VanDerWaalsContact O-CG 3.23Å; R175-M179 WeakPolarHBondContact O-CG 3.44Å; R175-M179 PolarHBondContact O-N 2.87Å; E177-M179 PolarHBondContact O-N 3.31Å; M179-A182 PolarHBondContact O-N 3.18Å; M179-C183 PolarHBondContact O-N 2.98Å; M179-C183 VanDerWaalsContact O-N 3.1Å; M179-C183 PolarHBondContact O-SG 2.9Å; M179-F267 HydrophobicContact CB-CE1 4.35Å; M179-F267 HydrophobicContact CE-CB 3.88Å; M179-F267 HydrophobicContact CE-CD1 3.25Å; M179-F267 HydrophobicContact CE-CD2 4.29Å; M179-F267 HydrophobicContact CE-CE1 3.73Å; M179-F267 HydrophobicContact CE-CG 3.57Å; M179-F267 HydrophobicContact CE-CZ 4.45Å; M179-A275 HydrophobicContact CG-CB 4.09Å; M179-I319 HydrophobicContact CG-CD1 4.31Å; M179-I319 HydrophobicContact CG-CG2 3.97Å; M179-I319 HydrophobicContact SD-CD1 4.31Å; M179-I319 HydrophobicContact SD-CG1 4.34Å; M179-I319 HydrophobicContact SD-CG2 4.2Å
180	Q	95.7	Very high	96.6	Very high	35 Å²	35	37.6 Å²	37.6	16%	0.164	19%	0.187	C	C	.	.	H	α-helix	trans	-60.5	-48.9	174.8	-174.5	61.6	57.4	0	0	110.7	T114 I115 A176 E177 A182 C183 D184	T114-Q180 VanDerWaalsContact CB-OE1 3.29Å; T114-Q180 PolarHBondContact OG1-OE1 2.93Å; T114-Q180 VanDerWaalsContact OG1-OE1 3.08Å; I115-Q180 HydrophobicContact CG2-CB 3.72Å; I115-Q180 HydrophobicContact CG2-CG 3.98Å; A176-Q180 WeakPolarHBondContact O-CB 3.12Å; A176-Q180 PolarHBondContact O-N 2.98Å; E177-Q180 PolarHBondContact O-N 3.02Å; Q180-A182 VanDerWaalsContact C-N 3.29Å; Q180-A182 PolarHBondContact O-N 3.4Å; Q180-C183 WeakPolarHBondContact O-CA 3.4Å; Q180-C183 VanDerWaalsContact O-CB 3.29Å; Q180-C183 WeakPolarHBondContact O-CB 3.13Å; Q180-C183 PolarHBondContact O-N 3.21Å; Q180-D184 PolarHBondContact NE2-OD1 3.42Å; Q180-D184 VanDerWaalsContact O-CG 3.24Å; Q180-D184 PolarHBondContact O-N 3.42Å
181	K	96.9	Very high	96.7	Very high	113 Å²	113	34.9 Å²	34.9	49%	0.491	17%	0.174	S	C	.	.	H	α-helix	trans	-56.5	-42.9	177.1	-173.5	-179.6	-178.5	-175.5	0	112.1	E177 A178 C183 D184 E185 I278	E177-K181 WeakPolarHBondContact O-CB 3.34Å; E177-K181 PolarHBondContact O-N 3.47Å; A178-K181 PolarHBondContact O-N 3.05Å; K181-C183 VanDerWaalsContact C-N 3.28Å; K181-C183 PolarHBondContact O-N 3.39Å; K181-D184 PolarHBondContact O-N 3.01Å; K181-E185 WeakPolarHBondContact CE-OE1 3.41Å; K181-E185 HydrophobicContact CG-CG 4.47Å; K181-E185 WeakPolarHBondContact O-CG 3.4Å; K181-E185 PolarHBondContact O-N 3.24Å; K181-I278 HydrophobicContact CD-CD1 4.47Å
182	A	96.9	Very high	96.7	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.008	18%	0.178	C	C	.	.	H	α-helix	trans	-63.8	-32.5	176.8	0	0	0	0	0	113.1	A178 M179 Q180 K186 M272 S274 A275	A178-A182 PolarHBondContact O-N 3.11Å; M179-A182 PolarHBondContact O-N 3.18Å; Q180-A182 VanDerWaalsContact C-N 3.29Å; Q180-A182 PolarHBondContact O-N 3.4Å; A182-K186 PolarHBondContact O-N 3.16Å; A182-M272 HydrophobicContact CB-CE 3.87Å; A182-M272 HydrophobicContact CB-SD 3.96Å; A182-S274 WeakPolarHBondContact CB-OG 2.96Å; A182-A275 HydrophobicContact CB-CB 3.93Å
183	C	94.8	Very high	96.7	Very high	5 Å²	5	35.5 Å²	35.5	3%	0.034	18%	0.178	C	C	.	.	H	α-helix	trans	-68.6	-39.8	173.2	-58.2	0	0	0	0	111.8	M179 Q180 K181 K186 A187 G265 F267	M179-C183 PolarHBondContact O-N 2.98Å; M179-C183 VanDerWaalsContact O-N 3.1Å; M179-C183 PolarHBondContact O-SG 2.9Å; Q180-C183 WeakPolarHBondContact O-CA 3.4Å; Q180-C183 VanDerWaalsContact O-CB 3.29Å; Q180-C183 WeakPolarHBondContact O-CB 3.13Å; Q180-C183 PolarHBondContact O-N 3.21Å; K181-C183 VanDerWaalsContact C-N 3.28Å; K181-C183 PolarHBondContact O-N 3.39Å; C183-K186 CarbonylContact O-C 3.52Å; C183-K186 VanDerWaalsContact O-C 3.24Å; C183-A187 WeakPolarHBondContact O-CA 3.45Å; C183-A187 PolarHBondContact O-N 3.44Å; C183-G265 VanDerWaalsContact SG-CA 3.53Å; C183-F267 WeakPolarHBondContact SG-CE1 3.35Å
184	D	94	Very high	96.8	Very high	115 Å²	115	34.9 Å²	34.9	62%	0.615	18%	0.177	S	C	*	.	H	α-helix	trans	-69.6	-36.3	179.8	-55.6	-22.2	0	0	0	110.6	Q180 K181	Q180-D184 PolarHBondContact NE2-OD1 3.42Å; Q180-D184 VanDerWaalsContact O-CG 3.24Å; Q180-D184 PolarHBondContact O-N 3.42Å; K181-D184 PolarHBondContact O-N 3.01Å
185	E	93.3	Very high	96.8	Very high	99 Å²	99	34.6 Å²	34.6	46%	0.463	18%	0.175	S	C	.	.	H	α-helix	trans	-69.3	-43.1	173.5	-73	170.2	178	0	0	112.7	K181 S274	K181-E185 WeakPolarHBondContact CE-OE1 3.41Å; K181-E185 HydrophobicContact CG-CG 4.47Å; K181-E185 WeakPolarHBondContact O-CG 3.4Å; K181-E185 PolarHBondContact O-N 3.24Å; E185-S274 WeakPolarHBondContact OE2-CB 3.31Å; E185-S274 PolarHBondContact OE2-OG 2.79Å
186	K	90.9	Very high	96.7	Very high	128 Å²	128	38 Å²	38	56%	0.557	19%	0.193	S	C	*	.	S	Bend	trans	-139.3	92.2	-175.9	-67.5	-173.2	-178.6	-174.9	0	109.9	A182 C183 G188	A182-K186 PolarHBondContact O-N 3.16Å; C183-K186 CarbonylContact O-C 3.52Å; C183-K186 VanDerWaalsContact O-C 3.24Å; K186-G188 PolarHBondContact O-N 3.22Å
187	A	93.7	Very high	96.5	Very high	52 Å²	52	42.9 Å²	42.9	43%	0.43	23%	0.225	S	C	.	.			trans	-58.9	135.5	176.5	0	0	0	0	0	110.5	C183	C183-A187 WeakPolarHBondContact O-CA 3.45Å; C183-A187 PolarHBondContact O-N 3.44Å
188	G	97.1	Very high	96.2	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.01	25%	0.246	C	C	.	.			trans	-138.7	-173.7	175.9	0	0	0	0	0	110.4	K186 G238 N264	K186-G188 PolarHBondContact O-N 3.22Å; G188-G238 VanDerWaalsContact CA-O 3.3Å; G188-G238 WeakPolarHBondContact CA-O 3.33Å; G188-N264 PolarHBondContact N-O 2.85Å; G188-N264 CarbonylContact O-C 3.53Å; G188-N264 VanDerWaalsContact O-C 3.26Å
189	A	98.6	Very high	96	Very high	11 Å²	11	43.5 Å²	43.5	9%	0.091	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	161.9	174.1	0	0	0	0	0	110.9	A237 G238 K240 I243	A189-A237 VanDerWaalsContact O-CA 3.28Å; A189-A237 WeakPolarHBondContact O-CA 3.29Å; A189-G238 PolarHBondContact N-O 3.34Å; A189-G238 PolarHBondContact O-N 3.41Å; A189-G238 VanDerWaalsContact O-N 3.1Å; A189-K240 HydrophobicContact CB-CG 4.21Å; A189-I243 HydrophobicContact CB-CB 4.01Å; A189-I243 HydrophobicContact CB-CG1 3.84Å; A189-I243 HydrophobicContact CB-CG2 3.99Å
190	M	98.7	Very high	96	Very high	6 Å²	6	46 Å²	46	3%	0.03	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	136.5	172.1	-51.4	-177.8	76.9	0	0	109.9	A226 V235 I236 A237 L261 V263 G265 F267	M190-A226 HydrophobicContact CE-CB 3.57Å; M190-V235 HydrophobicContact CB-CG1 3.95Å; M190-V235 HydrophobicContact CE-CG1 3.74Å; M190-I236 CarbonylContact C-O 3.48Å; M190-I236 VanDerWaalsContact CA-O 3.26Å; M190-I236 WeakPolarHBondContact CA-O 3.34Å; M190-A237 HydrophobicContact CB-CB 4.27Å; M190-A237 HydrophobicContact CE-CB 3.85Å; M190-A237 HydrophobicContact CG-CB 3.65Å; M190-A237 HydrophobicContact SD-CB 4.45Å; M190-L261 HydrophobicContact CB-CB 4.2Å; M190-L261 HydrophobicContact CB-CD1 3.91Å; M190-L261 HydrophobicContact CB-CG 4.28Å; M190-L261 PolarHBondContact O-N 3.49Å; M190-V263 HydrophobicContact CB-CG2 4.05Å; M190-V263 HydrophobicContact CG-CG2 3.8Å; M190-V263 HydrophobicContact SD-CG2 3.76Å; M190-G265 VanDerWaalsContact CG-O 3.23Å; M190-G265 WeakPolarHBondContact CG-O 3.33Å; M190-F267 HydrophobicContact CE-CB 3.99Å; M190-F267 WeakPolarHBondContact CE-O 3.47Å; M190-F267 HydrophobicContact SD-CB 3.71Å; M190-F267 HydrophobicContact SD-CD2 3.75Å; M190-F267 HydrophobicContact SD-CG 3.95Å; M190-F267 PolarHBondContact SD-N 3.17Å
191	I	98.7	Very high	96.1	Very high	0 Å²	0	45 Å²	45	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	135.9	174	53	171.2	0	0	0	109.9	V193 V235 I236 I243 I246 E247 T258 K259 R260	I191-V193 HydrophobicContact CD1-CG1 3.7Å; I191-V193 HydrophobicContact CG1-CG1 3.95Å; I191-V235 CarbonylContact O-C 3.53Å; I191-V235 VanDerWaalsContact O-CA 3.25Å; I191-V235 WeakPolarHBondContact O-CA 3.37Å; I191-V235 WeakPolarHBondContact O-CG1 3.22Å; I191-I236 HydrophobicContact CG1-CB 4.04Å; I191-I236 PolarHBondContact N-O 3.36Å; I191-I236 PolarHBondContact O-N 3.5Å; I191-I243 HydrophobicContact CB-CG2 4.25Å; I191-I243 HydrophobicContact CD1-CG2 4.01Å; I191-I243 HydrophobicContact CG1-CD1 4.29Å; I191-I243 HydrophobicContact CG1-CG2 3.94Å; I191-I243 HydrophobicContact CG2-CG2 3.41Å; I191-I243 VanDerWaalsContact CG2-CG2 3.41Å; I191-I246 HydrophobicContact CD1-CB 4.06Å; I191-I246 HydrophobicContact CD1-CG2 3.59Å; I191-E247 HydrophobicContact CD1-CG 3.9Å; I191-E247 HydrophobicContact CG2-CG 4.2Å; I191-T258 HydrophobicContact CD1-CG2 4.49Å; I191-K259 CarbonylContact C-O 3.55Å; I191-K259 WeakPolarHBondContact CA-O 3.49Å; I191-R260 HydrophobicContact CG2-CB 4.36Å; I191-R260 HydrophobicContact CG2-CG 3.64Å
192	T	98.7	Very high	96.1	Very high	14 Å²	14	48.5 Å²	48.5	9%	0.086	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	130.3	160.9	-54	0	0	0	0	108.1	F194 L229 C233 K234 T258 K259	T192-F194 HydrophobicContact CG2-CE2 3.93Å; T192-F194 HydrophobicContact CG2-CZ 4.09Å; T192-L229 HydrophobicContact CG2-CD1 4.26Å; T192-C233 VanDerWaalsContact CG2-SG 3.57Å; T192-K234 CarbonylContact C-O 3.59Å; T192-K234 WeakPolarHBondContact CA-O 3.42Å; T192-T258 CarbonylContact O-C 3.52Å; T192-T258 VanDerWaalsContact O-CA 3.25Å; T192-T258 WeakPolarHBondContact O-CA 3.27Å; T192-K259 PolarHBondContact N-O 2.94Å; T192-K259 PolarHBondContact O-N 3.28Å
193	V	98.7	Very high	96.2	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	131.5	176.5	-61	0	0	0	0	109.4	I191 V195 L201 C233 K234 I236 I246 I255 T258	I191-V193 HydrophobicContact CD1-CG1 3.7Å; I191-V193 HydrophobicContact CG1-CG1 3.95Å; V193-V195 HydrophobicContact CB-CG1 4.28Å; V193-V195 HydrophobicContact CG2-CG1 4Å; V193-L201 HydrophobicContact CG2-CD1 4.48Å; V193-L201 HydrophobicContact CG2-CD2 4.34Å; V193-C233 WeakPolarHBondContact O-CA 3.41Å; V193-K234 HydrophobicContact CG2-CB 4.03Å; V193-K234 WeakPolarHBondContact CG2-O 3.28Å; V193-K234 PolarHBondContact N-O 3.02Å; V193-K234 PolarHBondContact O-N 3.35Å; V193-I236 HydrophobicContact CG1-CG1 3.91Å; V193-I236 HydrophobicContact CG2-CD1 4.26Å; V193-I236 HydrophobicContact CG2-CG1 3.76Å; V193-I246 HydrophobicContact CG1-CG2 4.47Å; V193-I255 HydrophobicContact CB-CG2 3.95Å; V193-I255 HydrophobicContact CG1-CD1 4.34Å; V193-I255 HydrophobicContact CG1-CG2 4.23Å; V193-T258 HydrophobicContact CG1-CG2 4.28Å
194	F	98.6	Very high	96.4	Very high	39 Å²	39	53.9 Å²	53.9	17%	0.171	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	117.4	171.2	-60	-94.9	0	0	0	107.4	T192 Y230 D232 C233 I255 R256 R257	T192-F194 HydrophobicContact CG2-CE2 3.93Å; T192-F194 HydrophobicContact CG2-CZ 4.09Å; F194-Y230 WeakPolarHBondContact CE1-OH 3.12Å; F194-D232 CarbonylContact C-O 3.54Å; F194-D232 WeakPolarHBondContact CA-O 3.13Å; F194-C233 HydrophobicContact CD1-CB 4.37Å; F194-I255 CarbonylContact O-C 3.55Å; F194-I255 WeakPolarHBondContact O-CA 3.45Å; F194-R256 HydrophobicContact CB-CG 3.93Å; F194-R256 VanDerWaalsContact O-CG 3.23Å; F194-R256 WeakPolarHBondContact O-CG 3.37Å; F194-R256 PolarHBondContact O-N 3.28Å; F194-R257 HydrophobicContact CB-CB 4.13Å; F194-R257 HydrophobicContact CD2-CB 3.8Å; F194-R257 HydrophobicContact CD2-CG 3.92Å; F194-R257 WeakPolarHBondContact CD2-O 3.42Å; F194-R257 HydrophobicContact CE2-CG 4.31Å; F194-R257 HydrophobicContact CG-CB 4.27Å; F194-R257 PolarHBondContact N-O 2.83Å
195	V	98.3	Very high	96.6	Very high	7 Å²	7	49.5 Å²	49.5	4%	0.042	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	140.9	-168.7	-58.9	0	0	0	0	112.1	V193 L201 D232 G254 I255 R256	V193-V195 HydrophobicContact CB-CG1 4.28Å; V193-V195 HydrophobicContact CG2-CG1 4Å; V195-L201 HydrophobicContact CG1-CD2 4.09Å; V195-D232 HydrophobicContact CG2-CB 4.37Å; V195-D232 PolarHBondContact N-O 3.18Å; V195-D232 WeakPolarHBondContact O-CB 3.43Å; V195-G254 CarbonylContact C-O 3.53Å; V195-G254 WeakPolarHBondContact CA-O 3.26Å; V195-I255 HydrophobicContact CG1-CG1 4.02Å; V195-R256 PolarHBondContact O-NH1 3.2Å
196	N	96.8	Very high	96.8	Very high	72 Å²	72	47.3 Å²	47.3	39%	0.385	28%	0.283	S	S	.	.			trans	-67.8	153.1	175.6	-64.8	-21.4	0	0	0	110.7	G198 S199 G254 R256	N196-G198 PolarHBondContact O-N 3.08Å; N196-S199 WeakPolarHBondContact O-CB 3.26Å; N196-S199 PolarHBondContact O-N 2.82Å; N196-G254 PolarHBondContact N-O 3.25Å; N196-R256 PolarHBondContact OD1-NH1 3.4Å
197	P	92.8	Very high	97.2	Very high	105 Å²	105	42.7 Å²	42.7	68%	0.682	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	132.2	166.8	-26.8	35.5	0	0	0	110.4	S199	P197-S199 VanDerWaalsContact C-N 3.27Å; P197-S199 PolarHBondContact O-N 2.86Å
198	G	90.6	Very high	97.5	Very high	84 Å²	84	40.2 Å²	40.2	87%	0.866	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.6	7.9	-176.2	0	0	0	0	0	115.5	N196	N196-G198 PolarHBondContact O-N 3.08Å
199	S	95.3	Very high	97.5	Very high	26 Å²	26	42.2 Å²	42.2	18%	0.182	26%	0.258	C	S	.	.			trans	-50.2	128.9	177.1	157.8	0	0	0	0	112.1	N196 P197 L201 F253	N196-S199 WeakPolarHBondContact O-CB 3.26Å; N196-S199 PolarHBondContact O-N 2.82Å; P197-S199 VanDerWaalsContact C-N 3.27Å; P197-S199 PolarHBondContact O-N 2.86Å; S199-L201 PolarHBondContact O-N 2.99Å; S199-L201 PolarHBondContact OG-N 3.34Å; S199-F253 PolarHBondContact OG-O 2.91Å
200	P	96.7	Very high	97.5	Very high	54 Å²	54	46 Å²	46	35%	0.351	28%	0.277	S	S	.	.			trans	-78.5	41	174.4	32.9	-35.1	0	0	0	112.1	K202 L203 G204 F253	P200-K202 PolarHBondContact O-N 3.3Å; P200-K202 VanDerWaalsContact O-N 3.09Å; P200-L203 HydrophobicContact CB-CB 4.32Å; P200-L203 HydrophobicContact CB-CD1 3.97Å; P200-L203 HydrophobicContact CB-CG 4.29Å; P200-L203 WeakPolarHBondContact O-CA 3.39Å; P200-L203 WeakPolarHBondContact O-CB 3.49Å; P200-L203 PolarHBondContact O-N 3.41Å; P200-G204 PolarHBondContact O-N 3.24Å; P200-G204 VanDerWaalsContact O-N 3.13Å; P200-F253 WeakPolarHBondContact CD-O 3.22Å
201	L	97.7	Very high	97.5	Very high	14 Å²	14	48.2 Å²	48.2	7%	0.073	29%	0.287	C	S	.	.	H	α-helix	trans	-52	-35.2	-179.6	176.4	64.4	0	0	0	113	V193 V195 S199 L203 G204 I205 K234 I236 I255	V193-L201 HydrophobicContact CG2-CD1 4.48Å; V193-L201 HydrophobicContact CG2-CD2 4.34Å; V195-L201 HydrophobicContact CG1-CD2 4.09Å; S199-L201 PolarHBondContact O-N 2.99Å; S199-L201 PolarHBondContact OG-N 3.34Å; L201-L203 VanDerWaalsContact C-N 3.32Å; L201-L203 PolarHBondContact O-N 3.47Å; L201-G204 PolarHBondContact O-N 2.88Å; L201-I205 HydrophobicContact CD1-CD1 4.49Å; L201-I205 HydrophobicContact CD1-CG1 4.45Å; L201-I205 HydrophobicContact CG-CD1 4.17Å; L201-I205 WeakPolarHBondContact O-CG1 3.43Å; L201-I205 PolarHBondContact O-N 3.23Å; L201-K234 HydrophobicContact CD2-CD 3.95Å; L201-I236 HydrophobicContact CD1-CD1 4.35Å; L201-I236 HydrophobicContact CD1-CG1 4.39Å; L201-I236 HydrophobicContact CD2-CD1 4.2Å; L201-I255 HydrophobicContact CD1-CD1 3.84Å; L201-I255 HydrophobicContact CD1-CG1 4.23Å
202	K	97.7	Very high	97.5	Very high	185 Å²	185	48.2 Å²	48.2	80%	0.804	29%	0.287	S	S	*	.	H	α-helix	trans	-61.2	-39.5	175.5	-70.6	-177.6	-178.6	174.9	0	112.2	P200 I205 A206	P200-K202 PolarHBondContact O-N 3.3Å; P200-K202 VanDerWaalsContact O-N 3.09Å; K202-I205 PolarHBondContact O-N 3.33Å; K202-A206 PolarHBondContact O-N 3.36Å; K202-A206 VanDerWaalsContact O-N 3.08Å
203	L	98.3	Very high	97.5	Very high	119 Å²	119	51.7 Å²	51.7	62%	0.623	30%	0.302	S	S	*	.	H	α-helix	trans	-67.7	-39.7	174	-62.7	-179.6	0	0	0	110.7	P200 L201 I205 A206 A207	P200-L203 HydrophobicContact CB-CB 4.32Å; P200-L203 HydrophobicContact CB-CD1 3.97Å; P200-L203 HydrophobicContact CB-CG 4.29Å; P200-L203 WeakPolarHBondContact O-CA 3.39Å; P200-L203 WeakPolarHBondContact O-CB 3.49Å; P200-L203 PolarHBondContact O-N 3.41Å; L201-L203 VanDerWaalsContact C-N 3.32Å; L201-L203 PolarHBondContact O-N 3.47Å; L203-I205 PolarHBondContact O-N 3.43Å; L203-A206 PolarHBondContact O-N 3.02Å; L203-A207 WeakPolarHBondContact O-CB 3.39Å; L203-A207 PolarHBondContact O-N 3.22Å
204	G	98.5	Very high	97.5	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-58.4	-45.4	174.1	0	0	0	0	0	112.9	P200 L201 A206 A207 A208 I246 F253	P200-G204 PolarHBondContact O-N 3.24Å; P200-G204 VanDerWaalsContact O-N 3.13Å; L201-G204 PolarHBondContact O-N 2.88Å; G204-A206 PolarHBondContact O-N 3.19Å; G204-A207 PolarHBondContact O-N 3.07Å; G204-A208 WeakPolarHBondContact O-CB 3.47Å; G204-A208 PolarHBondContact O-N 2.86Å; G204-I246 VanDerWaalsContact C-CD1 3.4Å; G204-I246 VanDerWaalsContact O-CD1 3.27Å; G204-I246 WeakPolarHBondContact O-CD1 3.43Å; G204-F253 VanDerWaalsContact CA-CE1 3.46Å
205	I	98.8	Very high	97.4	Very high	24 Å²	24	62 Å²	62	12%	0.123	35%	0.349	C	S	.	.	H	α-helix	trans	-61.1	-44.2	175.6	-71.1	169.1	0	0	0	111.4	L201 K202 L203 A208 I209 C223 V225 I236	L201-I205 HydrophobicContact CD1-CD1 4.49Å; L201-I205 HydrophobicContact CD1-CG1 4.45Å; L201-I205 HydrophobicContact CG-CD1 4.17Å; L201-I205 WeakPolarHBondContact O-CG1 3.43Å; L201-I205 PolarHBondContact O-N 3.23Å; K202-I205 PolarHBondContact O-N 3.33Å; L203-I205 PolarHBondContact O-N 3.43Å; I205-A208 PolarHBondContact O-N 3.39Å; I205-I209 HydrophobicContact CG2-CD1 4.16Å; I205-I209 WeakPolarHBondContact O-CG1 3.2Å; I205-I209 PolarHBondContact O-N 3.15Å; I205-C223 HydrophobicContact CG2-CB 4.15Å; I205-C223 WeakPolarHBondContact CG2-O 3.21Å; I205-V225 HydrophobicContact CD1-CG2 4.11Å; I205-I236 HydrophobicContact CD1-CD1 3.9Å
206	A	98.7	Very high	97.4	Very high	53 Å²	53	65.5 Å²	65.5	44%	0.438	37%	0.365	S	S	.	.	H	α-helix	trans	-64.6	-42.1	177.5	0	0	0	0	0	112	K202 L203 G204 A208 I209 N210	K202-A206 PolarHBondContact O-N 3.36Å; K202-A206 VanDerWaalsContact O-N 3.08Å; L203-A206 PolarHBondContact O-N 3.02Å; G204-A206 PolarHBondContact O-N 3.19Å; A206-A208 VanDerWaalsContact C-N 3.34Å; A206-A208 PolarHBondContact O-N 3.37Å; A206-I209 PolarHBondContact O-N 3.24Å; A206-N210 PolarHBondContact O-N 2.86Å
207	A	98.7	Very high	97.4	Very high	30 Å²	30	69.6 Å²	69.6	25%	0.248	38%	0.379	C	S	.	.	H	α-helix	trans	-63.5	-39.1	175.7	0	0	0	0	0	111.9	L203 G204 N210 H211 F245 F253	L203-A207 WeakPolarHBondContact O-CB 3.39Å; L203-A207 PolarHBondContact O-N 3.22Å; G204-A207 PolarHBondContact O-N 3.07Å; A207-N210 PolarHBondContact O-N 3.15Å; A207-H211 WeakPolarHBondContact O-CB 3.29Å; A207-H211 PolarHBondContact O-N 3.03Å; A207-F245 HydrophobicContact CB-CE1 3.66Å; A207-F245 HydrophobicContact CB-CZ 3.79Å; A207-F253 HydrophobicContact CB-CE1 4.49Å; A207-F253 HydrophobicContact CB-CZ 3.88Å
208	A	98.8	Very high	97.6	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-63.8	-41.7	175.2	0	0	0	0	0	112.6	G204 I205 A206 H211 C212 C223 A242 F245 I246	G204-A208 WeakPolarHBondContact O-CB 3.47Å; G204-A208 PolarHBondContact O-N 2.86Å; I205-A208 PolarHBondContact O-N 3.39Å; A206-A208 VanDerWaalsContact C-N 3.34Å; A206-A208 PolarHBondContact O-N 3.37Å; A208-H211 WeakPolarHBondContact O-CB 3.46Å; A208-H211 PolarHBondContact O-N 3.43Å; A208-C212 PolarHBondContact O-N 3.49Å; A208-C212 PolarHBondContact O-SG 2.97Å; A208-C223 HydrophobicContact CB-CB 4.36Å; A208-A242 HydrophobicContact CB-CB 4.1Å; A208-F245 VanDerWaalsContact CA-CD1 3.42Å; A208-F245 HydrophobicContact CB-CB 4.3Å; A208-F245 HydrophobicContact CB-CD1 3.56Å; A208-F245 HydrophobicContact CB-CE1 4.26Å; A208-F245 HydrophobicContact CB-CG 4.2Å; A208-I246 HydrophobicContact CB-CD1 3.9Å; A208-I246 HydrophobicContact CB-CG1 3.91Å
209	I	98.8	Very high	97.9	Very high	44 Å²	44	70.7 Å²	70.7	23%	0.226	35%	0.354	C	S	.	.	H	α-helix	trans	-60.6	-50.5	173.8	-77.7	165.4	0	0	0	110.3	I205 A206 H211 C212 E213 P221 C223	I205-I209 HydrophobicContact CG2-CD1 4.16Å; I205-I209 WeakPolarHBondContact O-CG1 3.2Å; I205-I209 PolarHBondContact O-N 3.15Å; A206-I209 PolarHBondContact O-N 3.24Å; I209-H211 VanDerWaalsContact C-N 3.28Å; I209-H211 PolarHBondContact O-N 3.17Å; I209-C212 WeakPolarHBondContact O-CB 3.42Å; I209-C212 PolarHBondContact O-N 3.04Å; I209-C212 VanDerWaalsContact O-N 3.14Å; I209-E213 PolarHBondContact O-N 2.96Å; I209-P221 HydrophobicContact CG2-CG 4.06Å; I209-C223 HydrophobicContact CD1-CB 4.3Å; I209-C223 HydrophobicContact CG1-CB 3.85Å
210	N	98.6	Very high	97.8	Very high	90 Å²	90	76.5 Å²	76.5	48%	0.481	38%	0.383	S	S	.	.	H	α-helix	trans	-61.1	-37.8	178.1	-178.2	72.3	0	0	0	111.9	A206 A207 E213 V214	A206-N210 PolarHBondContact O-N 2.86Å; A207-N210 PolarHBondContact O-N 3.15Å; N210-E213 PolarHBondContact O-N 3.2Å; N210-V214 WeakPolarHBondContact O-CB 3.4Å; N210-V214 WeakPolarHBondContact O-CG2 3.43Å; N210-V214 PolarHBondContact O-N 2.93Å
211	H	98.5	Very high	97.9	Very high	53 Å²	53	74.6 Å²	74.6	25%	0.245	37%	0.37	C	S	.	.	H	α-helix	trans	-60.4	-46.8	174.2	-178	75.7	0	0	0	111.6	A207 A208 I209 E213 R215 H216 F245	A207-H211 WeakPolarHBondContact O-CB 3.29Å; A207-H211 PolarHBondContact O-N 3.03Å; A208-H211 WeakPolarHBondContact O-CB 3.46Å; A208-H211 PolarHBondContact O-N 3.43Å; I209-H211 VanDerWaalsContact C-N 3.28Å; I209-H211 PolarHBondContact O-N 3.17Å; H211-E213 PolarHBondContact O-N 3.04Å; H211-R215 WeakPolarHBondContact O-CA 3.37Å; H211-R215 VanDerWaalsContact O-CB 3.22Å; H211-R215 WeakPolarHBondContact O-CB 3.49Å; H211-R215 PolarHBondContact O-N 3.28Å; H211-H216 AromaticContact CD2-CD2 3.76Å; H211-H216 AromaticContact CD2-NE2 3.86Å; H211-H216 AromaticContact NE2-CD2 3.61Å; H211-H216 AromaticContact NE2-NE2 3.27Å; H211-H216 PolarHBondContact NE2-NE2 3.26Å; H211-H216 PolarHBondContact O-N 3.17Å; H211-F245 HydrophobicContact CB-CD2 3.58Å; H211-F245 HydrophobicContact CB-CE2 3.91Å; H211-F245 HydrophobicContact CB-CG 4.08Å; H211-F245 AromaticContact CD2-CD2 3.68Å; H211-F245 AromaticContact CG-CD2 3.38Å; H211-F245 AromaticContact CG-CE2 3.98Å; H211-F245 AromaticContact ND1-CD2 3.69Å
212	C	98.6	Very high	97.9	Very high	0 Å²	0	74.3 Å²	74.3	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-60.1	-44.1	175.4	-71.3	0	0	0	0	113	A208 I209 H216 K217 I218 P221 A242	A208-C212 PolarHBondContact O-N 3.49Å; A208-C212 PolarHBondContact O-SG 2.97Å; I209-C212 WeakPolarHBondContact O-CB 3.42Å; I209-C212 PolarHBondContact O-N 3.04Å; I209-C212 VanDerWaalsContact O-N 3.14Å; C212-H216 CarbonylContact O-C 3.35Å; C212-H216 WeakPolarHBondContact O-CA 3.43Å; C212-H216 WeakPolarHBondContact O-CB 3.22Å; C212-H216 PolarHBondContact O-N 2.86Å; C212-K217 PolarHBondContact O-N 3.38Å; C212-I218 HydrophobicContact CB-CB 4.3Å; C212-I218 HydrophobicContact CB-CD1 4.14Å; C212-I218 PolarHBondContact O-N 2.75Å; C212-P221 HydrophobicContact CB-CB 3.4Å; C212-P221 HydrophobicContact CB-CG 3.75Å; C212-A242 VanDerWaalsContact SG-CB 3.57Å; C212-A242 PolarHBondContact SG-N 3.39Å
213	E	98.1	Very high	98	Very high	87 Å²	87	65.6 Å²	65.6	41%	0.407	33%	0.332	S	S	.	.	H	α-helix	trans	-65.4	-52.9	178.6	-87.5	160	-163.7	0	0	112.1	I209 N210 H211 K217 P221	I209-E213 PolarHBondContact O-N 2.96Å; N210-E213 PolarHBondContact O-N 3.2Å; H211-E213 PolarHBondContact O-N 3.04Å; E213-K217 VanDerWaalsContact O-CA 3.26Å; E213-K217 WeakPolarHBondContact O-CA 3.47Å; E213-K217 PolarHBondContact O-N 3.25Å; E213-P221 HydrophobicContact CG-CG 3.71Å; E213-P221 VanDerWaalsContact OE1-CD 3.26Å; E213-P221 WeakPolarHBondContact OE1-CD 3.43Å
214	V	98.1	Very high	98	Very high	85 Å²	85	65 Å²	65	52%	0.515	32%	0.324	S	S	.	.	H	α-helix	trans	-79.9	-47.6	-170.3	177.5	0	0	0	0	111.6	N210 K217	N210-V214 WeakPolarHBondContact O-CB 3.4Å; N210-V214 WeakPolarHBondContact O-CG2 3.43Å; N210-V214 PolarHBondContact O-N 2.93Å; V214-K217 VanDerWaalsContact O-CE 3.31Å; V214-K217 WeakPolarHBondContact O-CE 3.29Å; V214-K217 PolarHBondContact O-NZ 3.12Å
215	R	97.9	Very high	98	Very high	170 Å²	170	66.1 Å²	66.1	64%	0.642	33%	0.331	S	S	*	.	H	α-helix	trans	-86.8	-37.1	-172.6	179.1	62.2	-179.1	87.6	-2	113.1	H211	H211-R215 WeakPolarHBondContact O-CA 3.37Å; H211-R215 VanDerWaalsContact O-CB 3.22Å; H211-R215 WeakPolarHBondContact O-CB 3.49Å; H211-R215 PolarHBondContact O-N 3.28Å
216	H	97.6	Very high	98	Very high	81 Å²	81	65 Å²	65	38%	0.375	33%	0.325	S	S	.	.	H	α-helix	trans	-105.9	-4.8	-176.3	-66.5	-90.5	0	0	0	113.8	H211 C212 I218 E241	H211-H216 AromaticContact CD2-CD2 3.76Å; H211-H216 AromaticContact CD2-NE2 3.86Å; H211-H216 AromaticContact NE2-CD2 3.61Å; H211-H216 AromaticContact NE2-NE2 3.27Å; H211-H216 PolarHBondContact NE2-NE2 3.26Å; H211-H216 PolarHBondContact O-N 3.17Å; C212-H216 CarbonylContact O-C 3.35Å; C212-H216 WeakPolarHBondContact O-CA 3.43Å; C212-H216 WeakPolarHBondContact O-CB 3.22Å; C212-H216 PolarHBondContact O-N 2.86Å; H216-I218 HydrophobicContact CB-CD1 3.97Å; H216-I218 HydrophobicContact CB-CG1 3.9Å; H216-I218 PolarHBondContact O-N 3.5Å; H216-I218 VanDerWaalsContact O-N 3.14Å; H216-E241 HydrophobicContact CB-CG 4.43Å
217	K	97.6	Very high	98	Very high	157 Å²	157	62.8 Å²	62.8	68%	0.683	31%	0.306	S	S	*	.			trans	55.6	28.2	179.5	-52	-53.6	-172.5	-166	0	113.4	C212 E213 V214 Q219	C212-K217 PolarHBondContact O-N 3.38Å; E213-K217 VanDerWaalsContact O-CA 3.26Å; E213-K217 WeakPolarHBondContact O-CA 3.47Å; E213-K217 PolarHBondContact O-N 3.25Å; V214-K217 VanDerWaalsContact O-CE 3.31Å; V214-K217 WeakPolarHBondContact O-CE 3.29Å; V214-K217 PolarHBondContact O-NZ 3.12Å; K217-Q219 PolarHBondContact O-N 3Å
218	I	97.1	Very high	98	Very high	39 Å²	39	64.4 Å²	64.4	20%	0.2	31%	0.306	C	S	.	.			trans	-74.9	123.3	176.6	-61.1	174.4	0	0	0	107.9	C212 H216 P221 N239 E241	C212-I218 HydrophobicContact CB-CB 4.3Å; C212-I218 HydrophobicContact CB-CD1 4.14Å; C212-I218 PolarHBondContact O-N 2.75Å; H216-I218 HydrophobicContact CB-CD1 3.97Å; H216-I218 HydrophobicContact CB-CG1 3.9Å; H216-I218 PolarHBondContact O-N 3.5Å; H216-I218 VanDerWaalsContact O-N 3.14Å; I218-P221 HydrophobicContact CB-CB 4.34Å; I218-P221 HydrophobicContact CG2-CB 3.92Å; I218-P221 WeakPolarHBondContact O-CD 3.39Å; I218-N239 HydrophobicContact CD1-CB 4.48Å; I218-E241 HydrophobicContact CD1-CB 4.3Å; I218-E241 HydrophobicContact CD1-CG 4.03Å; I218-E241 WeakPolarHBondContact CD1-OE2 3.45Å
219	Q	95.3	Very high	98	Very high	173 Å²	173	65.2 Å²	65.2	81%	0.808	31%	0.31	S	S	*	.	S	Bend	trans	-76.8	130.7	174.3	-67.1	-174.3	-17.1	0	0	110.7	K217	K217-Q219 PolarHBondContact O-N 3Å
220	N	95	Very high	97.9	Very high	149 Å²	149	65.1 Å²	65.1	80%	0.797	31%	0.307	S	S	*	.	S	Bend	trans	51.3	54.5	179.3	-56.8	-64.1	0	0	0	113.4
221	P	97.8	Very high	97.8	Very high	14 Å²	14	63 Å²	63	9%	0.091	30%	0.298	C	S	.	.			trans	-65	156.7	-178.3	33.8	-38	0	0	0	111.1	I209 C212 E213 I218 N239	I209-P221 HydrophobicContact CG2-CG 4.06Å; C212-P221 HydrophobicContact CB-CB 3.4Å; C212-P221 HydrophobicContact CB-CG 3.75Å; E213-P221 HydrophobicContact CG-CG 3.71Å; E213-P221 VanDerWaalsContact OE1-CD 3.26Å; E213-P221 WeakPolarHBondContact OE1-CD 3.43Å; I218-P221 HydrophobicContact CB-CB 4.34Å; I218-P221 HydrophobicContact CG2-CB 3.92Å; I218-P221 WeakPolarHBondContact O-CD 3.39Å; P221-N239 WeakPolarHBondContact CA-OD1 3.1Å
222	C	98.3	Very high	97.7	Very high	8 Å²	8	63 Å²	63	5%	0.054	30%	0.3	C	S	.	.			trans	-117.3	130	179.2	-172.8	0	0	0	0	110.1	G238 N239 L271	C222-G238 CarbonylContact O-C 3.43Å; C222-G238 WeakPolarHBondContact O-CA 3.42Å; C222-N239 PolarHBondContact N-OD1 3.12Å; C222-N239 PolarHBondContact O-N 3.16Å; C222-L271 HydrophobicContact CB-CD1 3.9Å; C222-L271 HydrophobicContact CB-CD2 4.16Å; C222-L271 HydrophobicContact CB-CG 3.73Å
223	C	98.7	Very high	97.7	Very high	1 Å²	1	63 Å²	63	1%	0.007	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	115.5	161.2	-169.3	0	0	0	0	106.8	I205 A208 I209 I236 A237 A242	I205-C223 HydrophobicContact CG2-CB 4.15Å; I205-C223 WeakPolarHBondContact CG2-O 3.21Å; A208-C223 HydrophobicContact CB-CB 4.36Å; I209-C223 HydrophobicContact CD1-CB 4.3Å; I209-C223 HydrophobicContact CG1-CB 3.85Å; C223-I236 VanDerWaalsContact SG-CG2 3.52Å; C223-A237 WeakPolarHBondContact CA-O 3.39Å; C223-A242 HydrophobicContact CB-CB 3.78Å
224	K	98.7	Very high	97.7	Very high	108 Å²	108	60.5 Å²	60.5	47%	0.47	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	156.5	-176	-64.7	-167.3	178.1	-167.2	0	110.9	A226 I236 A237 P270	K224-A226 PolarHBondContact O-N 3.41Å; K224-I236 CarbonylContact O-C 3.57Å; K224-I236 WeakPolarHBondContact O-CA 3.11Å; K224-A237 PolarHBondContact N-O 3.12Å; K224-A237 PolarHBondContact O-N 2.87Å; K224-P270 HydrophobicContact CD-CG 4.39Å
225	V	98.7	Very high	97.8	Very high	22 Å²	22	56.7 Å²	56.7	13%	0.133	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	120.9	162.4	-176.7	0	0	0	0	107.8	I205 N227 Y228 K234 V235 I236 P322	I205-V225 HydrophobicContact CD1-CG2 4.11Å; V225-N227 WeakPolarHBondContact CG1-O 3.33Å; V225-Y228 HydrophobicContact CB-CE1 4.47Å; V225-Y228 HydrophobicContact CB-CE2 4.17Å; V225-Y228 HydrophobicContact CG1-CD1 4.12Å; V225-Y228 HydrophobicContact CG1-CD2 3.88Å; V225-Y228 HydrophobicContact CG1-CE1 3.89Å; V225-Y228 HydrophobicContact CG1-CE2 3.62Å; V225-Y228 HydrophobicContact CG1-CG 4.11Å; V225-K234 HydrophobicContact CG1-CB 4.24Å; V225-V235 CarbonylContact C-O 3.57Å; V225-V235 WeakPolarHBondContact CA-O 3.25Å; V225-I236 HydrophobicContact CB-CD1 4.21Å; V225-I236 HydrophobicContact CG2-CD1 3.59Å; V225-P322 WeakPolarHBondContact O-CB 3.42Å
226	A	98.8	Very high	97.8	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	-30.2	175.2	0	0	0	0	0	112.6	M190 K224 V235 A237 F267 H268 T269 P322 V323	M190-A226 HydrophobicContact CE-CB 3.57Å; K224-A226 PolarHBondContact O-N 3.41Å; A226-V235 PolarHBondContact N-O 3.06Å; A226-A237 HydrophobicContact CB-CB 3.58Å; A226-F267 VanDerWaalsContact CB-O 3.27Å; A226-F267 WeakPolarHBondContact CB-O 3.5Å; A226-H268 HydrophobicContact CB-CB 4.04Å; A226-T269 HydrophobicContact CB-CG2 4.26Å; A226-P322 CarbonylContact O-C 3.52Å; A226-P322 WeakPolarHBondContact O-CA 3.31Å; A226-V323 PolarHBondContact O-N 2.83Å
227	N	98.8	Very high	97.9	Very high	8 Å²	8	44.7 Å²	44.7	4%	0.043	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	131.9	175.5	-47.6	96.4	0	0	0	110	F149 V225 L229 K234 V235 V323	F149-N227 HydrophobicContact CZ-CB 4.23Å; V225-N227 WeakPolarHBondContact CG1-O 3.33Å; N227-L229 HydrophobicContact CB-CD2 3.64Å; N227-L229 HydrophobicContact CB-CG 4.36Å; N227-K234 CarbonylContact O-C 3.47Å; N227-K234 WeakPolarHBondContact O-CA 3.42Å; N227-V235 HydrophobicContact CB-CB 3.82Å; N227-V235 HydrophobicContact CB-CG2 3.86Å; N227-V235 PolarHBondContact N-O 3.23Å; N227-V235 PolarHBondContact O-N 3.18Å; N227-V235 WeakPolarHBondContact OD1-CB 3.19Å; N227-V323 WeakPolarHBondContact CA-O 3.33Å; N227-V323 WeakPolarHBondContact ND2-CB 3.37Å; N227-V323 VanDerWaalsContact ND2-CG2 3.27Å; N227-V323 WeakPolarHBondContact ND2-CG2 3.23Å
228	Y	98.6	Very high	97.9	Very high	64 Å²	64	37.2 Å²	37.2	25%	0.251	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	109	163.9	-64	-94.6	0	0	0	106.2	V225 K234 P322 V323 R324 W325 E326 Q327	V225-Y228 HydrophobicContact CB-CE1 4.47Å; V225-Y228 HydrophobicContact CB-CE2 4.17Å; V225-Y228 HydrophobicContact CG1-CD1 4.12Å; V225-Y228 HydrophobicContact CG1-CD2 3.88Å; V225-Y228 HydrophobicContact CG1-CE1 3.89Å; V225-Y228 HydrophobicContact CG1-CE2 3.62Å; V225-Y228 HydrophobicContact CG1-CG 4.11Å; Y228-K234 HydrophobicContact CD1-CD 4.27Å; Y228-K234 HydrophobicContact CD1-CG 4.35Å; Y228-K234 HydrophobicContact CE1-CD 4.4Å; Y228-P322 HydrophobicContact CD2-CB 4.16Å; Y228-P322 HydrophobicContact CE2-CB 3.85Å; Y228-P322 HydrophobicContact CE2-CG 4.13Å; Y228-V323 PolarHBondContact N-O 2.92Å; Y228-R324 HydrophobicContact CD2-CG 4.23Å; Y228-W325 CarbonylContact O-C 3.56Å; Y228-W325 WeakPolarHBondContact O-CA 3.35Å; Y228-W325 VanDerWaalsContact O-CB 3.22Å; Y228-W325 WeakPolarHBondContact O-CB 3.17Å; Y228-W325 PolarHBondContact O-N 3.08Å; Y228-W325 VanDerWaalsContact O-N 3.08Å; Y228-E326 PolarHBondContact O-N 3.32Å; Y228-Q327 VanDerWaalsContact CB-OE1 3.29Å
229	L	98.5	Very high	98	Very high	17 Å²	17	36.5 Å²	36.5	9%	0.089	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	-56.3	-170.1	-59	-176.9	0	0	0	111.5	F149 T192 N227 C233 V235 M356	F149-L229 HydrophobicContact CE2-CD2 3.7Å; F149-L229 HydrophobicContact CZ-CD2 3.8Å; T192-L229 HydrophobicContact CG2-CD1 4.26Å; N227-L229 HydrophobicContact CB-CD2 3.64Å; N227-L229 HydrophobicContact CB-CG 4.36Å; L229-C233 WeakPolarHBondContact CB-O 3.46Å; L229-C233 PolarHBondContact N-O 3.11Å; L229-C233 VanDerWaalsContact N-O 3.1Å; L229-V235 HydrophobicContact CD1-CG2 3.86Å; L229-V235 HydrophobicContact CD2-CG2 4.27Å; L229-V235 HydrophobicContact CG-CG2 4.17Å; L229-M356 HydrophobicContact CB-SD 3.85Å; L229-M356 HydrophobicContact CD2-SD 3.93Å; L229-M356 HydrophobicContact CG-SD 4.33Å
230	Y	97.8	Very high	98.1	Very high	42 Å²	42	32.5 Å²	32.5	17%	0.165	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	175.1	178.8	50.5	-95.1	0	0	0	108.1	F194 D232 C233 M356 M359	F194-Y230 WeakPolarHBondContact CE1-OH 3.12Å; Y230-D232 PolarHBondContact O-N 3.39Å; Y230-C233 HydrophobicContact CD1-CB 4.17Å; Y230-C233 HydrophobicContact CD2-CB 3.47Å; Y230-C233 VanDerWaalsContact CD2-CB 3.47Å; Y230-C233 HydrophobicContact CE1-CB 3.87Å; Y230-C233 HydrophobicContact CE2-CB 3.11Å; Y230-C233 HydrophobicContact CG-CB 3.99Å; Y230-C233 PolarHBondContact N-O 3.26Å; Y230-C233 PolarHBondContact O-N 3.31Å; Y230-C233 PolarHBondContact OH-SG 3.49Å; Y230-C233 VanDerWaalsContact OH-SG 3.35Å; Y230-M356 HydrophobicContact CD1-CB 3.98Å; Y230-M356 HydrophobicContact CD1-CG 3.64Å; Y230-M356 HydrophobicContact CD1-SD 4.32Å; Y230-M356 HydrophobicContact CE1-CG 3.87Å; Y230-M359 HydrophobicContact CD1-CB 4.25Å; Y230-M359 HydrophobicContact CD1-CG 4.39Å; Y230-M359 HydrophobicContact CD2-CB 3.53Å; Y230-M359 HydrophobicContact CD2-CG 3.88Å; Y230-M359 HydrophobicContact CE1-CG 4.38Å; Y230-M359 HydrophobicContact CE2-CB 4.05Å; Y230-M359 HydrophobicContact CE2-CE 4.31Å; Y230-M359 HydrophobicContact CE2-CG 3.86Å; Y230-M359 HydrophobicContact CG-CB 3.64Å; Y230-M359 HydrophobicContact CG-CG 4.15Å
231	P	96.1	Very high	98.3	Very high	45 Å²	45	28.2 Å²	28.2	29%	0.292	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.2	134.2	179	-34.4	39.2	0	0	0	111.9	C233 Y330	P231-C233 PolarHBondContact O-N 2.94Å; P231-Y330 WeakPolarHBondContact CG-OH 3.4Å
232	D	96.3	Very high	98.3	Very high	53 Å²	53	27.5 Å²	27.5	28%	0.283	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	10.1	178	-63.4	-18.9	0	0	0	116.3	F194 V195 Y230	F194-D232 CarbonylContact C-O 3.54Å; F194-D232 WeakPolarHBondContact CA-O 3.13Å; V195-D232 HydrophobicContact CG2-CB 4.37Å; V195-D232 PolarHBondContact N-O 3.18Å; V195-D232 WeakPolarHBondContact O-CB 3.43Å; Y230-D232 PolarHBondContact O-N 3.39Å
233	C	98.5	Very high	98.4	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	119.4	177.9	-168	0	0	0	0	112.3	T192 V193 F194 L229 Y230 P231	T192-C233 VanDerWaalsContact CG2-SG 3.57Å; V193-C233 WeakPolarHBondContact O-CA 3.41Å; F194-C233 HydrophobicContact CD1-CB 4.37Å; L229-C233 WeakPolarHBondContact CB-O 3.46Å; L229-C233 PolarHBondContact N-O 3.11Å; L229-C233 VanDerWaalsContact N-O 3.1Å; Y230-C233 HydrophobicContact CD1-CB 4.17Å; Y230-C233 HydrophobicContact CD2-CB 3.47Å; Y230-C233 VanDerWaalsContact CD2-CB 3.47Å; Y230-C233 HydrophobicContact CE1-CB 3.87Å; Y230-C233 HydrophobicContact CE2-CB 3.11Å; Y230-C233 HydrophobicContact CG-CB 3.99Å; Y230-C233 PolarHBondContact N-O 3.26Å; Y230-C233 PolarHBondContact O-N 3.31Å; Y230-C233 PolarHBondContact OH-SG 3.49Å; Y230-C233 VanDerWaalsContact OH-SG 3.35Å; P231-C233 PolarHBondContact O-N 2.94Å
234	K	98.6	Very high	98.4	Very high	35 Å²	35	29.7 Å²	29.7	15%	0.152	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	160.9	-174.1	-64.5	169.8	-179.7	60.1	0	109.4	T192 V193 L201 V225 N227 Y228	T192-K234 CarbonylContact C-O 3.59Å; T192-K234 WeakPolarHBondContact CA-O 3.42Å; V193-K234 HydrophobicContact CG2-CB 4.03Å; V193-K234 WeakPolarHBondContact CG2-O 3.28Å; V193-K234 PolarHBondContact N-O 3.02Å; V193-K234 PolarHBondContact O-N 3.35Å; L201-K234 HydrophobicContact CD2-CD 3.95Å; V225-K234 HydrophobicContact CG1-CB 4.24Å; N227-K234 CarbonylContact O-C 3.47Å; N227-K234 WeakPolarHBondContact O-CA 3.42Å; Y228-K234 HydrophobicContact CD1-CD 4.27Å; Y228-K234 HydrophobicContact CD1-CG 4.35Å; Y228-K234 HydrophobicContact CE1-CD 4.4Å
235	V	98.8	Very high	98.4	Very high	4 Å²	4	25.7 Å²	25.7	2%	0.024	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	124.1	167.5	-177.9	0	0	0	0	108.5	M190 I191 V225 A226 N227 L229 L261	M190-V235 HydrophobicContact CB-CG1 3.95Å; M190-V235 HydrophobicContact CE-CG1 3.74Å; I191-V235 CarbonylContact O-C 3.53Å; I191-V235 VanDerWaalsContact O-CA 3.25Å; I191-V235 WeakPolarHBondContact O-CA 3.37Å; I191-V235 WeakPolarHBondContact O-CG1 3.22Å; V225-V235 CarbonylContact C-O 3.57Å; V225-V235 WeakPolarHBondContact CA-O 3.25Å; A226-V235 PolarHBondContact N-O 3.06Å; N227-V235 HydrophobicContact CB-CB 3.82Å; N227-V235 HydrophobicContact CB-CG2 3.86Å; N227-V235 PolarHBondContact N-O 3.23Å; N227-V235 PolarHBondContact O-N 3.18Å; N227-V235 WeakPolarHBondContact OD1-CB 3.19Å; L229-V235 HydrophobicContact CD1-CG2 3.86Å; L229-V235 HydrophobicContact CD2-CG2 4.27Å; L229-V235 HydrophobicContact CG-CG2 4.17Å; V235-L261 HydrophobicContact CG1-CD1 3.75Å; V235-L261 HydrophobicContact CG2-CD1 4.27Å
236	I	98.8	Very high	98.4	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	138.4	170.2	-53.3	-52.5	0	0	0	108.3	M190 I191 V193 L201 I205 C223 K224 V225 I243	M190-I236 CarbonylContact C-O 3.48Å; M190-I236 VanDerWaalsContact CA-O 3.26Å; M190-I236 WeakPolarHBondContact CA-O 3.34Å; I191-I236 HydrophobicContact CG1-CB 4.04Å; I191-I236 PolarHBondContact N-O 3.36Å; I191-I236 PolarHBondContact O-N 3.5Å; V193-I236 HydrophobicContact CG1-CG1 3.91Å; V193-I236 HydrophobicContact CG2-CD1 4.26Å; V193-I236 HydrophobicContact CG2-CG1 3.76Å; L201-I236 HydrophobicContact CD1-CD1 4.35Å; L201-I236 HydrophobicContact CD1-CG1 4.39Å; L201-I236 HydrophobicContact CD2-CD1 4.2Å; I205-I236 HydrophobicContact CD1-CD1 3.9Å; C223-I236 VanDerWaalsContact SG-CG2 3.52Å; K224-I236 CarbonylContact O-C 3.57Å; K224-I236 WeakPolarHBondContact O-CA 3.11Å; V225-I236 HydrophobicContact CB-CD1 4.21Å; V225-I236 HydrophobicContact CG2-CD1 3.59Å; I236-I243 HydrophobicContact CB-CD1 4.41Å; I236-I243 HydrophobicContact CG2-CD1 3.83Å
237	A	98.8	Very high	98.4	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	147.5	-179.5	0	0	0	0	0	110.9	A189 M190 C223 K224 A226 A266 T269	A189-A237 VanDerWaalsContact O-CA 3.28Å; A189-A237 WeakPolarHBondContact O-CA 3.29Å; M190-A237 HydrophobicContact CB-CB 4.27Å; M190-A237 HydrophobicContact CE-CB 3.85Å; M190-A237 HydrophobicContact CG-CB 3.65Å; M190-A237 HydrophobicContact SD-CB 4.45Å; C223-A237 WeakPolarHBondContact CA-O 3.39Å; K224-A237 PolarHBondContact N-O 3.12Å; K224-A237 PolarHBondContact O-N 2.87Å; A226-A237 HydrophobicContact CB-CB 3.58Å; A237-A266 HydrophobicContact CB-CB 3.98Å; A237-T269 HydrophobicContact CB-CG2 3.53Å
238	G	98.7	Very high	98.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.7	-163.6	-174.7	0	0	0	0	0	114.4	G188 A189 C222	G188-G238 VanDerWaalsContact CA-O 3.3Å; G188-G238 WeakPolarHBondContact CA-O 3.33Å; A189-G238 PolarHBondContact N-O 3.34Å; A189-G238 PolarHBondContact O-N 3.41Å; A189-G238 VanDerWaalsContact O-N 3.1Å; C222-G238 CarbonylContact O-C 3.43Å; C222-G238 WeakPolarHBondContact O-CA 3.42Å
239	N	98.4	Very high	98.3	Very high	23 Å²	23	31.9 Å²	31.9	12%	0.123	16%	0.158	C	C	.	.			trans	-54.9	145.4	165.3	-72.2	86.9	0	0	0	110.1	I218 P221 C222 E241 A242 I243	I218-N239 HydrophobicContact CD1-CB 4.48Å; P221-N239 WeakPolarHBondContact CA-OD1 3.1Å; C222-N239 PolarHBondContact N-OD1 3.12Å; C222-N239 PolarHBondContact O-N 3.16Å; N239-E241 VanDerWaalsContact C-N 3.26Å; N239-E241 PolarHBondContact O-N 2.85Å; N239-A242 HydrophobicContact CB-CB 4.3Å; N239-A242 WeakPolarHBondContact O-CB 3.49Å; N239-A242 PolarHBondContact O-N 3.3Å; N239-A242 VanDerWaalsContact O-N 3.07Å; N239-I243 WeakPolarHBondContact O-CG1 3.32Å; N239-I243 PolarHBondContact O-N 3.15Å; N239-I243 VanDerWaalsContact O-N 3.08Å
240	K	98.1	Very high	98.3	Very high	89 Å²	89	31.8 Å²	31.8	39%	0.387	16%	0.16	S	C	.	.	H	α-helix	trans	-57.8	-43.3	-179	-71.5	-179.2	175.9	176.1	0	111.1	A189 A242 I243 D244	A189-K240 HydrophobicContact CB-CG 4.21Å; K240-A242 VanDerWaalsContact C-N 3.27Å; K240-A242 PolarHBondContact O-N 2.7Å; K240-I243 CarbonylContact O-C 3.6Å; K240-I243 PolarHBondContact O-N 3.47Å; K240-D244 WeakPolarHBondContact O-CB 3.43Å; K240-D244 PolarHBondContact O-N 3.09Å
241	E	98.5	Very high	98.2	Very high	59 Å²	59	33 Å²	33	28%	0.276	18%	0.184	S	C	.	.	H	α-helix	trans	-60.2	-36.6	178.4	-58.8	74.6	-166.4	0	0	111.9	H216 I218 N239 F245	H216-E241 HydrophobicContact CB-CG 4.43Å; I218-E241 HydrophobicContact CD1-CB 4.3Å; I218-E241 HydrophobicContact CD1-CG 4.03Å; I218-E241 WeakPolarHBondContact CD1-OE2 3.45Å; N239-E241 VanDerWaalsContact C-N 3.26Å; N239-E241 PolarHBondContact O-N 2.85Å; E241-F245 WeakPolarHBondContact O-CB 2.84Å; E241-F245 PolarHBondContact O-N 3.23Å
242	A	98.7	Very high	98.3	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-70.3	-40	176.1	0	0	0	0	0	111.3	A208 C212 C223 N239 K240 F245 I246	A208-A242 HydrophobicContact CB-CB 4.1Å; C212-A242 VanDerWaalsContact SG-CB 3.57Å; C212-A242 PolarHBondContact SG-N 3.39Å; C223-A242 HydrophobicContact CB-CB 3.78Å; N239-A242 HydrophobicContact CB-CB 4.3Å; N239-A242 WeakPolarHBondContact O-CB 3.49Å; N239-A242 PolarHBondContact O-N 3.3Å; N239-A242 VanDerWaalsContact O-N 3.07Å; K240-A242 VanDerWaalsContact C-N 3.27Å; K240-A242 PolarHBondContact O-N 2.7Å; A242-F245 PolarHBondContact O-N 2.84Å; A242-I246 WeakPolarHBondContact O-CG1 3.29Å; A242-I246 PolarHBondContact O-N 3.08Å
243	I	98.8	Very high	98.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-67.7	-44.1	177.3	-63.5	-47.7	0	0	0	110.8	A189 I191 I236 N239 K240 F245 I246 E247	A189-I243 HydrophobicContact CB-CB 4.01Å; A189-I243 HydrophobicContact CB-CG1 3.84Å; A189-I243 HydrophobicContact CB-CG2 3.99Å; I191-I243 HydrophobicContact CB-CG2 4.25Å; I191-I243 HydrophobicContact CD1-CG2 4.01Å; I191-I243 HydrophobicContact CG1-CD1 4.29Å; I191-I243 HydrophobicContact CG1-CG2 3.94Å; I191-I243 HydrophobicContact CG2-CG2 3.41Å; I191-I243 VanDerWaalsContact CG2-CG2 3.41Å; I236-I243 HydrophobicContact CB-CD1 4.41Å; I236-I243 HydrophobicContact CG2-CD1 3.83Å; N239-I243 WeakPolarHBondContact O-CG1 3.32Å; N239-I243 PolarHBondContact O-N 3.15Å; N239-I243 VanDerWaalsContact O-N 3.08Å; K240-I243 CarbonylContact O-C 3.6Å; K240-I243 PolarHBondContact O-N 3.47Å; I243-F245 VanDerWaalsContact C-N 3.3Å; I243-F245 PolarHBondContact O-N 3.35Å; I243-I246 PolarHBondContact O-N 3.19Å; I243-I246 VanDerWaalsContact O-N 3.15Å; I243-E247 PolarHBondContact O-N 3.23Å
244	D	98.6	Very high	98.4	Very high	55 Å²	55	36.5 Å²	36.5	29%	0.294	20%	0.199	S	C	.	.	H	α-helix	trans	-58.5	-43.6	174.7	-62.9	-14.9	0	0	0	110.5	K240 I246 E247 N248 R260	K240-D244 WeakPolarHBondContact O-CB 3.43Å; K240-D244 PolarHBondContact O-N 3.09Å; D244-I246 PolarHBondContact O-N 2.97Å; D244-E247 PolarHBondContact O-N 2.81Å; D244-N248 WeakPolarHBondContact O-CB 3.44Å; D244-N248 PolarHBondContact O-N 3.34Å; D244-N248 PolarHBondContact O-ND2 3.36Å; D244-N248 VanDerWaalsContact O-ND2 3.16Å; D244-R260 IonicContact OD1-CZ 3.59Å; D244-R260 IonicContact OD1-NH1 3.98Å; D244-R260 IonicContact OD1-NH2 3.37Å; D244-R260 PolarHBondContact OD1-NH2 3.38Å
245	F	98.8	Very high	98.4	Very high	24 Å²	24	35 Å²	35	11%	0.105	19%	0.193	C	C	.	.	H	α-helix	trans	-58.3	-47.6	174.4	179.3	-85.1	0	0	0	111.8	A207 A208 H211 E241 A242 I243 E247 N248 H249 F253	A207-F245 HydrophobicContact CB-CE1 3.66Å; A207-F245 HydrophobicContact CB-CZ 3.79Å; A208-F245 VanDerWaalsContact CA-CD1 3.42Å; A208-F245 HydrophobicContact CB-CB 4.3Å; A208-F245 HydrophobicContact CB-CD1 3.56Å; A208-F245 HydrophobicContact CB-CE1 4.26Å; A208-F245 HydrophobicContact CB-CG 4.2Å; H211-F245 HydrophobicContact CB-CD2 3.58Å; H211-F245 HydrophobicContact CB-CE2 3.91Å; H211-F245 HydrophobicContact CB-CG 4.08Å; H211-F245 AromaticContact CD2-CD2 3.68Å; H211-F245 AromaticContact CG-CD2 3.38Å; H211-F245 AromaticContact CG-CE2 3.98Å; H211-F245 AromaticContact ND1-CD2 3.69Å; E241-F245 WeakPolarHBondContact O-CB 2.84Å; E241-F245 PolarHBondContact O-N 3.23Å; A242-F245 PolarHBondContact O-N 2.84Å; I243-F245 VanDerWaalsContact C-N 3.3Å; I243-F245 PolarHBondContact O-N 3.35Å; F245-E247 VanDerWaalsContact C-N 3.32Å; F245-E247 PolarHBondContact O-N 3.24Å; F245-N248 PolarHBondContact O-N 2.89Å; F245-H249 AromaticContact CD2-CE1 3.51Å; F245-H249 AromaticContact CD2-ND1 3.52Å; F245-H249 HydrophobicContact CE1-CB 4.4Å; F245-H249 AromaticContact CE2-CE1 3.47Å; F245-H249 VanDerWaalsContact CE2-CE1 3.47Å; F245-H249 WeakPolarHBondContact CE2-CE1 3.38Å; F245-H249 AromaticContact CE2-ND1 3.57Å; F245-H249 AromaticContact CE2-NE2 3.94Å; F245-H249 AromaticContact CG-ND1 3.79Å; F245-H249 AromaticContact CZ-ND1 3.87Å; F245-H249 WeakPolarHBondContact O-CB 3.47Å; F245-H249 PolarHBondContact O-N 3.07Å; F245-H249 PolarHBondContact O-ND1 2.55Å; F245-F253 AromaticContact CE1-CE2 3.79Å; F245-F253 HydrophobicContact CE1-CE2 3.79Å; F245-F253 HydrophobicContact CE1-CZ 4.19Å; F245-F253 HydrophobicContact CZ-CE2 4.37Å
246	I	98.8	Very high	98.3	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-61	-41.8	179.4	-68	-69	0	0	0	111.3	I191 V193 G204 A208 A242 I243 D244 H249 A250 I255	I191-I246 HydrophobicContact CD1-CB 4.06Å; I191-I246 HydrophobicContact CD1-CG2 3.59Å; V193-I246 HydrophobicContact CG1-CG2 4.47Å; G204-I246 VanDerWaalsContact C-CD1 3.4Å; G204-I246 VanDerWaalsContact O-CD1 3.27Å; G204-I246 WeakPolarHBondContact O-CD1 3.43Å; A208-I246 HydrophobicContact CB-CD1 3.9Å; A208-I246 HydrophobicContact CB-CG1 3.91Å; A242-I246 WeakPolarHBondContact O-CG1 3.29Å; A242-I246 PolarHBondContact O-N 3.08Å; I243-I246 PolarHBondContact O-N 3.19Å; I243-I246 VanDerWaalsContact O-N 3.15Å; D244-I246 PolarHBondContact O-N 2.97Å; I246-H249 CarbonylContact O-C 3.53Å; I246-A250 VanDerWaalsContact O-CA 3.29Å; I246-A250 WeakPolarHBondContact O-CA 2.99Å; I246-A250 PolarHBondContact O-N 3.01Å; I246-I255 HydrophobicContact CG2-CD1 3.53Å
247	E	98.4	Very high	98.3	Very high	41 Å²	41	48.7 Å²	48.7	19%	0.192	24%	0.244	C	C	.	.	H	α-helix	trans	-66.3	-44.6	178.5	-70.9	-174.4	119.1	0	0	112.1	I191 I243 D244 F245 H249 A250 T258 R260	I191-E247 HydrophobicContact CD1-CG 3.9Å; I191-E247 HydrophobicContact CG2-CG 4.2Å; I243-E247 PolarHBondContact O-N 3.23Å; D244-E247 PolarHBondContact O-N 2.81Å; F245-E247 VanDerWaalsContact C-N 3.32Å; F245-E247 PolarHBondContact O-N 3.24Å; E247-H249 PolarHBondContact O-N 3.13Å; E247-A250 WeakPolarHBondContact O-CB 3.09Å; E247-A250 PolarHBondContact O-N 2.87Å; E247-T258 HydrophobicContact CG-CG2 4.19Å; E247-T258 PolarHBondContact OE1-OG1 2.79Å; E247-R260 WeakPolarHBondContact OE1-CG 3.4Å; E247-R260 IonicContact OE1-NE 3.45Å; E247-R260 IonicContact OE2-CZ 2.85Å; E247-R260 IonicContact OE2-NE 3.7Å; E247-R260 PolarHBondContact OE2-NE 2.95Å; E247-R260 IonicContact OE2-NH2 3.74Å; E247-R260 PolarHBondContact OE2-NH2 2.92Å
248	N	98.4	Very high	98.3	Very high	129 Å²	129	50.7 Å²	50.7	69%	0.69	26%	0.256	S	S	*	.	H	α-helix	trans	-68.4	-23.9	-179.1	-68.7	-26.1	0	0	0	113.2	D244 F245	D244-N248 WeakPolarHBondContact O-CB 3.44Å; D244-N248 PolarHBondContact O-N 3.34Å; D244-N248 PolarHBondContact O-ND2 3.36Å; D244-N248 VanDerWaalsContact O-ND2 3.16Å; F245-N248 PolarHBondContact O-N 2.89Å
249	H	98.3	Very high	98.2	Very high	54 Å²	54	56.8 Å²	56.8	25%	0.25	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.5	18.9	-178.8	-55.6	83.7	0	0	0	112.4	F245 I246 E247 G251 Q252 F253	F245-H249 AromaticContact CD2-CE1 3.51Å; F245-H249 AromaticContact CD2-ND1 3.52Å; F245-H249 HydrophobicContact CE1-CB 4.4Å; F245-H249 AromaticContact CE2-CE1 3.47Å; F245-H249 VanDerWaalsContact CE2-CE1 3.47Å; F245-H249 WeakPolarHBondContact CE2-CE1 3.38Å; F245-H249 AromaticContact CE2-ND1 3.57Å; F245-H249 AromaticContact CE2-NE2 3.94Å; F245-H249 AromaticContact CG-ND1 3.79Å; F245-H249 AromaticContact CZ-ND1 3.87Å; F245-H249 WeakPolarHBondContact O-CB 3.47Å; F245-H249 PolarHBondContact O-N 3.07Å; F245-H249 PolarHBondContact O-ND1 2.55Å; I246-H249 CarbonylContact O-C 3.53Å; E247-H249 PolarHBondContact O-N 3.13Å; H249-G251 VanDerWaalsContact C-N 3.32Å; H249-G251 PolarHBondContact O-N 2.83Å; H249-Q252 WeakPolarHBondContact O-CB 3.45Å; H249-Q252 PolarHBondContact O-N 3.17Å; H249-F253 HydrophobicContact CB-CD2 4.11Å; H249-F253 HydrophobicContact CB-CE2 3.65Å; H249-F253 VanDerWaalsContact O-CD2 3.29Å; H249-F253 WeakPolarHBondContact O-CD2 3.39Å
250	A	98.1	Very high	98.2	Very high	15 Å²	15	61.9 Å²	61.9	12%	0.124	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-51.9	-47.7	-171.8	0	0	0	0	0	113	I246 E247 Q252 F253 G254 I255 T258	I246-A250 VanDerWaalsContact O-CA 3.29Å; I246-A250 WeakPolarHBondContact O-CA 2.99Å; I246-A250 PolarHBondContact O-N 3.01Å; E247-A250 WeakPolarHBondContact O-CB 3.09Å; E247-A250 PolarHBondContact O-N 2.87Å; A250-Q252 VanDerWaalsContact C-N 3.31Å; A250-Q252 PolarHBondContact O-N 2.85Å; A250-F253 PolarHBondContact O-N 2.72Å; A250-F253 VanDerWaalsContact O-N 3.15Å; A250-G254 PolarHBondContact O-N 3.4Å; A250-I255 CarbonylContact C-O 3.58Å; A250-I255 HydrophobicContact CB-CB 3.91Å; A250-I255 HydrophobicContact CB-CG2 4.15Å; A250-I255 WeakPolarHBondContact O-CB 3.39Å; A250-I255 PolarHBondContact O-N 3.27Å; A250-T258 HydrophobicContact CB-CG2 4.36Å
251	G	96.6	Very high	98.1	Very high	66 Å²	66	60.1 Å²	60.1	68%	0.68	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-60	-37.2	-179.5	0	0	0	0	0	113.8	H249 F253 G254	H249-G251 VanDerWaalsContact C-N 3.32Å; H249-G251 PolarHBondContact O-N 2.83Å; G251-F253 PolarHBondContact O-N 3.08Å; G251-G254 PolarHBondContact O-N 2.75Å
252	Q	98	Very high	97.8	Very high	136 Å²	136	63.2 Å²	63.2	64%	0.636	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-65.3	-27.1	-179.7	-59.3	178.7	8.1	0	0	112.3	H249 A250	H249-Q252 WeakPolarHBondContact O-CB 3.45Å; H249-Q252 PolarHBondContact O-N 3.17Å; A250-Q252 VanDerWaalsContact C-N 3.31Å; A250-Q252 PolarHBondContact O-N 2.85Å
253	F	97.8	Very high	97.5	Very high	22 Å²	22	64.6 Å²	64.6	10%	0.096	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-103.8	16.8	-179	-55.1	-61.4	0	0	0	113.1	S199 P200 G204 A207 F245 H249 A250 G251 I255	S199-F253 PolarHBondContact OG-O 2.91Å; P200-F253 WeakPolarHBondContact CD-O 3.22Å; G204-F253 VanDerWaalsContact CA-CE1 3.46Å; A207-F253 HydrophobicContact CB-CE1 4.49Å; A207-F253 HydrophobicContact CB-CZ 3.88Å; F245-F253 AromaticContact CE1-CE2 3.79Å; F245-F253 HydrophobicContact CE1-CE2 3.79Å; F245-F253 HydrophobicContact CE1-CZ 4.19Å; F245-F253 HydrophobicContact CZ-CE2 4.37Å; H249-F253 HydrophobicContact CB-CD2 4.11Å; H249-F253 HydrophobicContact CB-CE2 3.65Å; H249-F253 VanDerWaalsContact O-CD2 3.29Å; H249-F253 WeakPolarHBondContact O-CD2 3.39Å; A250-F253 PolarHBondContact O-N 2.72Å; A250-F253 VanDerWaalsContact O-N 3.15Å; G251-F253 PolarHBondContact O-N 3.08Å; F253-I255 HydrophobicContact CB-CD1 4.38Å; F253-I255 HydrophobicContact CB-CG1 4.39Å; F253-I255 PolarHBondContact O-N 2.77Å
254	G	97.6	Very high	97.1	Very high	14 Å²	14	70 Å²	70	14%	0.144	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.5	25.1	179.7	0	0	0	0	0	113.5	V195 N196 A250 G251	V195-G254 CarbonylContact C-O 3.53Å; V195-G254 WeakPolarHBondContact CA-O 3.26Å; N196-G254 PolarHBondContact N-O 3.25Å; A250-G254 PolarHBondContact O-N 3.4Å; G251-G254 PolarHBondContact O-N 2.75Å
255	I	98.6	Very high	96.9	Very high	5 Å²	5	67.3 Å²	67.3	3%	0.026	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	109.8	173.3	-54.4	170.5	0	0	0	107.4	V193 F194 V195 L201 I246 A250 F253 R257 T258	V193-I255 HydrophobicContact CB-CG2 3.95Å; V193-I255 HydrophobicContact CG1-CD1 4.34Å; V193-I255 HydrophobicContact CG1-CG2 4.23Å; F194-I255 CarbonylContact O-C 3.55Å; F194-I255 WeakPolarHBondContact O-CA 3.45Å; V195-I255 HydrophobicContact CG1-CG1 4.02Å; L201-I255 HydrophobicContact CD1-CD1 3.84Å; L201-I255 HydrophobicContact CD1-CG1 4.23Å; I246-I255 HydrophobicContact CG2-CD1 3.53Å; A250-I255 CarbonylContact C-O 3.58Å; A250-I255 HydrophobicContact CB-CB 3.91Å; A250-I255 HydrophobicContact CB-CG2 4.15Å; A250-I255 WeakPolarHBondContact O-CB 3.39Å; A250-I255 PolarHBondContact O-N 3.27Å; F253-I255 HydrophobicContact CB-CD1 4.38Å; F253-I255 HydrophobicContact CB-CG1 4.39Å; F253-I255 PolarHBondContact O-N 2.77Å; I255-R257 WeakPolarHBondContact CG2-O 3.38Å; I255-T258 HydrophobicContact CG2-CG2 3.73Å
256	R	97.6	Very high	96.9	Very high	132 Å²	132	66.2 Å²	66.2	50%	0.498	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	-25.1	-177.4	57.9	170	177.5	-81.3	-4.6	113.6	F194 V195 N196	F194-R256 HydrophobicContact CB-CG 3.93Å; F194-R256 VanDerWaalsContact O-CG 3.23Å; F194-R256 WeakPolarHBondContact O-CG 3.37Å; F194-R256 PolarHBondContact O-N 3.28Å; V195-R256 PolarHBondContact O-NH1 3.2Å; N196-R256 PolarHBondContact OD1-NH1 3.4Å
257	R	98.2	Very high	96.8	Very high	159 Å²	159	66.8 Å²	66.8	60%	0.6	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-155.8	144.3	-179.5	-178.3	178.8	178	-177.4	3.2	110.4	F194 I255	F194-R257 HydrophobicContact CB-CB 4.13Å; F194-R257 HydrophobicContact CD2-CB 3.8Å; F194-R257 HydrophobicContact CD2-CG 3.92Å; F194-R257 WeakPolarHBondContact CD2-O 3.42Å; F194-R257 HydrophobicContact CE2-CG 4.31Å; F194-R257 HydrophobicContact CG-CB 4.27Å; F194-R257 PolarHBondContact N-O 2.83Å; I255-R257 WeakPolarHBondContact CG2-O 3.38Å
258	T	98.4	Very high	96.9	Very high	41 Å²	41	65.2 Å²	65.2	25%	0.252	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	158.1	169.2	63.7	0	0	0	0	110.9	I191 T192 V193 E247 A250 I255	I191-T258 HydrophobicContact CD1-CG2 4.49Å; T192-T258 CarbonylContact O-C 3.52Å; T192-T258 VanDerWaalsContact O-CA 3.25Å; T192-T258 WeakPolarHBondContact O-CA 3.27Å; V193-T258 HydrophobicContact CG1-CG2 4.28Å; E247-T258 HydrophobicContact CG-CG2 4.19Å; E247-T258 PolarHBondContact OE1-OG1 2.79Å; A250-T258 HydrophobicContact CB-CG2 4.36Å; I255-T258 HydrophobicContact CG2-CG2 3.73Å
259	K	98.1	Very high	96.9	Very high	128 Å²	128	59 Å²	59	56%	0.557	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-147.4	115.1	169.5	-179.4	-176.9	177.9	-176.6	0	109.2	I191 T192	I191-K259 CarbonylContact C-O 3.55Å; I191-K259 WeakPolarHBondContact CA-O 3.49Å; T192-K259 PolarHBondContact N-O 2.94Å; T192-K259 PolarHBondContact O-N 3.28Å
260	R	97.7	Very high	96.8	Very high	130 Å²	130	59.1 Å²	59.1	49%	0.491	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	137.7	171.9	-73	-171.9	179.1	-148.6	-0.7	111.4	I191 D244 E247	I191-R260 HydrophobicContact CG2-CB 4.36Å; I191-R260 HydrophobicContact CG2-CG 3.64Å; D244-R260 IonicContact OD1-CZ 3.59Å; D244-R260 IonicContact OD1-NH1 3.98Å; D244-R260 IonicContact OD1-NH2 3.37Å; D244-R260 PolarHBondContact OD1-NH2 3.38Å; E247-R260 WeakPolarHBondContact OE1-CG 3.4Å; E247-R260 IonicContact OE1-NE 3.45Å; E247-R260 IonicContact OE2-CZ 2.85Å; E247-R260 IonicContact OE2-NE 3.7Å; E247-R260 PolarHBondContact OE2-NE 2.95Å; E247-R260 IonicContact OE2-NH2 3.74Å; E247-R260 PolarHBondContact OE2-NH2 2.92Å
261	L	96.2	Very high	96.8	Very high	52 Å²	52	59.6 Å²	59.6	27%	0.272	31%	0.305	S	S	.	.			trans	-88.5	142.6	170.4	-59.4	-174.6	0	0	0	109.4	M190 V235 V263	M190-L261 HydrophobicContact CB-CB 4.2Å; M190-L261 HydrophobicContact CB-CD1 3.91Å; M190-L261 HydrophobicContact CB-CG 4.28Å; M190-L261 PolarHBondContact O-N 3.49Å; V235-L261 HydrophobicContact CG1-CD1 3.75Å; V235-L261 HydrophobicContact CG2-CD1 4.27Å; L261-V263 HydrophobicContact CB-CG2 4.07Å; L261-V263 PolarHBondContact O-N 3.49Å
262	P	93	Very high	96.9	Very high	125 Å²	125	56.4 Å²	56.4	81%	0.812	27%	0.273	S	S	*	.	S	Bend	trans	-79.4	58.8	-176.6	34.7	-37.2	0	0	0	111.4
263	V	92.3	Very high	96.8	Very high	28 Å²	28	52.5 Å²	52.5	17%	0.17	26%	0.261	C	S	.	.			trans	-134.1	144.5	-178.8	-60	0	0	0	0	109.8	M190 L261 F267	M190-V263 HydrophobicContact CB-CG2 4.05Å; M190-V263 HydrophobicContact CG-CG2 3.8Å; M190-V263 HydrophobicContact SD-CG2 3.76Å; L261-V263 HydrophobicContact CB-CG2 4.07Å; L261-V263 PolarHBondContact O-N 3.49Å; V263-F267 HydrophobicContact CB-CE2 3.87Å; V263-F267 HydrophobicContact CB-CZ 4.38Å; V263-F267 HydrophobicContact CG1-CD2 4.45Å; V263-F267 HydrophobicContact CG1-CE2 3.74Å; V263-F267 HydrophobicContact CG2-CE2 4.34Å
264	N	90.1	Very high	96.9	Very high	113 Å²	113	53.2 Å²	53.2	60%	0.604	27%	0.269	S	S	*	.	S	Bend	trans	-95.2	9.7	-177.4	-68.9	-25	0	0	0	113.6	G188	G188-N264 PolarHBondContact N-O 2.85Å; G188-N264 CarbonylContact O-C 3.53Å; G188-N264 VanDerWaalsContact O-C 3.26Å
265	G	94.5	Very high	96.9	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.262	C	S	.	.	S	Bend	trans	-137.7	160.7	-177.6	0	0	0	0	0	112.8	C183 M190 F267	C183-G265 VanDerWaalsContact SG-CA 3.53Å; M190-G265 VanDerWaalsContact CG-O 3.23Å; M190-G265 WeakPolarHBondContact CG-O 3.33Å; G265-F267 PolarHBondContact O-N 3.21Å
266	A	97.6	Very high	96.9	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.279	C	S	.	.			trans	-94.3	73.7	176.5	0	0	0	0	0	110.5	A237 T269 L271	A237-A266 HydrophobicContact CB-CB 3.98Å; A266-T269 HydrophobicContact CB-CG2 4.22Å; A266-T269 WeakPolarHBondContact O-CB 3.35Å; A266-T269 PolarHBondContact O-OG1 3.5Å; A266-L271 HydrophobicContact CB-CB 4.28Å; A266-L271 HydrophobicContact CB-CD1 3.69Å
267	F	98.3	Very high	96.9	Very high	12 Å²	12	57.8 Å²	57.8	5%	0.053	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	152.6	-178.7	-56.2	-37.6	0	0	0	112.3	T114 M179 C183 M190 A226 V263 G265 T269 M272	T114-F267 HydrophobicContact CG2-CZ 4.31Å; M179-F267 HydrophobicContact CB-CE1 4.35Å; M179-F267 HydrophobicContact CE-CB 3.88Å; M179-F267 HydrophobicContact CE-CD1 3.25Å; M179-F267 HydrophobicContact CE-CD2 4.29Å; M179-F267 HydrophobicContact CE-CE1 3.73Å; M179-F267 HydrophobicContact CE-CG 3.57Å; M179-F267 HydrophobicContact CE-CZ 4.45Å; C183-F267 WeakPolarHBondContact SG-CE1 3.35Å; M190-F267 HydrophobicContact CE-CB 3.99Å; M190-F267 WeakPolarHBondContact CE-O 3.47Å; M190-F267 HydrophobicContact SD-CB 3.71Å; M190-F267 HydrophobicContact SD-CD2 3.75Å; M190-F267 HydrophobicContact SD-CG 3.95Å; M190-F267 PolarHBondContact SD-N 3.17Å; A226-F267 VanDerWaalsContact CB-O 3.27Å; A226-F267 WeakPolarHBondContact CB-O 3.5Å; V263-F267 HydrophobicContact CB-CE2 3.87Å; V263-F267 HydrophobicContact CB-CZ 4.38Å; V263-F267 HydrophobicContact CG1-CD2 4.45Å; V263-F267 HydrophobicContact CG1-CE2 3.74Å; V263-F267 HydrophobicContact CG2-CE2 4.34Å; G265-F267 PolarHBondContact O-N 3.21Å; F267-T269 PolarHBondContact O-N 3.44Å; F267-M272 HydrophobicContact CD1-CG 4.43Å; F267-M272 HydrophobicContact CD1-SD 3.75Å; F267-M272 HydrophobicContact CE1-SD 4.25Å
268	H	98.4	Very high	97	Very high	8 Å²	8	53.3 Å²	53.3	4%	0.037	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.1	24.4	178.6	-58.4	-69.6	0	0	0	114.2	S150 A226 Q318 I319 R321 V323	S150-H268 WeakPolarHBondContact CB-NE2 3.37Å; S150-H268 PolarHBondContact OG-CE1 3.34Å; S150-H268 PolarHBondContact OG-NE2 2.93Å; A226-H268 HydrophobicContact CB-CB 4.04Å; H268-Q318 PolarHBondContact ND1-O 3.49Å; H268-I319 WeakPolarHBondContact CA-O 3.49Å; H268-I319 PolarHBondContact N-O 2.94Å; H268-I319 VanDerWaalsContact N-O 3.12Å; H268-R321 VanDerWaalsContact CB-O 3.3Å; H268-R321 WeakPolarHBondContact CB-O 3.13Å; H268-R321 PolarHBondContact ND1-O 2.9Å; H268-R321 CarbonylContact O-C 3.5Å; H268-V323 WeakPolarHBondContact CE1-CG2 3.44Å; H268-V323 WeakPolarHBondContact NE2-CG2 3.21Å
269	T	98.6	Very high	97	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.261	C	S	.	.	S	Bend	trans	-126.5	167.1	176	77.6	0	0	0	0	111.7	A226 A237 A266 F267 L271 M272 V320	A226-T269 HydrophobicContact CB-CG2 4.26Å; A237-T269 HydrophobicContact CB-CG2 3.53Å; A266-T269 HydrophobicContact CB-CG2 4.22Å; A266-T269 WeakPolarHBondContact O-CB 3.35Å; A266-T269 PolarHBondContact O-OG1 3.5Å; F267-T269 PolarHBondContact O-N 3.44Å; T269-L271 PolarHBondContact O-N 3.07Å; T269-L271 PolarHBondContact OG1-N 3.5Å; T269-M272 PolarHBondContact O-N 3.44Å; T269-V320 WeakPolarHBondContact O-CA 3.24Å
270	P	97.6	Very high	97	Very high	55 Å²	55	46.3 Å²	46.3	36%	0.357	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-56	-18.3	171.9	-28.1	36.9	0	0	0	115.5	K224 M272 S273	K224-P270 HydrophobicContact CD-CG 4.39Å; P270-M272 PolarHBondContact O-N 3.12Å; P270-S273 VanDerWaalsContact O-CB 3.28Å; P270-S273 WeakPolarHBondContact O-CB 3.48Å; P270-S273 PolarHBondContact O-N 3.01Å; P270-S273 VanDerWaalsContact O-N 3.08Å; P270-S273 PolarHBondContact O-OG 3.35Å
271	L	97.5	Very high	97	Very high	25 Å²	25	44.4 Å²	44.4	13%	0.131	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-63.3	-21.6	174.2	-68.3	177.8	0	0	0	112.4	C222 A266 T269 S273	C222-L271 HydrophobicContact CB-CD1 3.9Å; C222-L271 HydrophobicContact CB-CD2 4.16Å; C222-L271 HydrophobicContact CB-CG 3.73Å; A266-L271 HydrophobicContact CB-CB 4.28Å; A266-L271 HydrophobicContact CB-CD1 3.69Å; T269-L271 PolarHBondContact O-N 3.07Å; T269-L271 PolarHBondContact OG1-N 3.5Å; L271-S273 VanDerWaalsContact C-N 3.25Å; L271-S273 PolarHBondContact O-N 3.23Å
272	M	98	Very high	97.2	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-86.4	18	174.3	-58.9	-66.7	97.3	0	0	113.8	A182 F267 T269 P270 S274 A275 R276 I319 V320	A182-M272 HydrophobicContact CB-CE 3.87Å; A182-M272 HydrophobicContact CB-SD 3.96Å; F267-M272 HydrophobicContact CD1-CG 4.43Å; F267-M272 HydrophobicContact CD1-SD 3.75Å; F267-M272 HydrophobicContact CE1-SD 4.25Å; T269-M272 PolarHBondContact O-N 3.44Å; P270-M272 PolarHBondContact O-N 3.12Å; M272-S274 VanDerWaalsContact C-N 3.31Å; M272-S274 PolarHBondContact O-N 3.47Å; M272-A275 HydrophobicContact CB-CB 4.45Å; M272-A275 WeakPolarHBondContact O-CB 3.46Å; M272-A275 PolarHBondContact O-N 3.44Å; M272-A275 VanDerWaalsContact O-N 3.16Å; M272-R276 PolarHBondContact O-N 3.06Å; M272-I319 HydrophobicContact CB-CG2 3.6Å; M272-I319 HydrophobicContact CG-CG2 4.3Å; M272-V320 HydrophobicContact CB-CG1 4.1Å
273	S	97.8	Very high	97.4	Very high	54 Å²	54	36.3 Å²	36.3	38%	0.378	19%	0.192	S	C	.	.	H	α-helix	trans	-63	-32.3	-176.7	-68	0	0	0	0	113.8	P270 L271 R276 K277	P270-S273 VanDerWaalsContact O-CB 3.28Å; P270-S273 WeakPolarHBondContact O-CB 3.48Å; P270-S273 PolarHBondContact O-N 3.01Å; P270-S273 VanDerWaalsContact O-N 3.08Å; P270-S273 PolarHBondContact O-OG 3.35Å; L271-S273 VanDerWaalsContact C-N 3.25Å; L271-S273 PolarHBondContact O-N 3.23Å; S273-R276 PolarHBondContact O-N 3.1Å; S273-K277 PolarHBondContact O-N 2.92Å
274	S	98.2	Very high	97.7	Very high	37 Å²	37	40.2 Å²	40.2	26%	0.259	21%	0.212	S	C	.	.	H	α-helix	trans	-65.7	-43.6	173.5	53.8	0	0	0	0	111.1	A182 E185 M272 R276 K277 I278	A182-S274 WeakPolarHBondContact CB-OG 2.96Å; E185-S274 WeakPolarHBondContact OE2-CB 3.31Å; E185-S274 PolarHBondContact OE2-OG 2.79Å; M272-S274 VanDerWaalsContact C-N 3.31Å; M272-S274 PolarHBondContact O-N 3.47Å; S274-R276 PolarHBondContact O-N 3.03Å; S274-K277 PolarHBondContact O-N 3.48Å; S274-I278 PolarHBondContact O-N 3.48Å
275	A	98.4	Very high	98.1	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-60	-43.2	174.6	0	0	0	0	0	112.6	A178 M179 A182 M272 K277 I278 I279 I319	A178-A275 HydrophobicContact CB-CB 4.01Å; A178-A275 WeakPolarHBondContact O-CB 3.5Å; M179-A275 HydrophobicContact CG-CB 4.09Å; A182-A275 HydrophobicContact CB-CB 3.93Å; M272-A275 HydrophobicContact CB-CB 4.45Å; M272-A275 WeakPolarHBondContact O-CB 3.46Å; M272-A275 PolarHBondContact O-N 3.44Å; M272-A275 VanDerWaalsContact O-N 3.16Å; A275-K277 VanDerWaalsContact C-N 3.31Å; A275-K277 PolarHBondContact O-N 3.48Å; A275-I278 PolarHBondContact O-N 3.05Å; A275-I279 PolarHBondContact O-N 2.97Å; A275-I319 HydrophobicContact CB-CG2 4.1Å
276	R	98.6	Very high	98.3	Very high	101 Å²	101	45 Å²	45	38%	0.381	22%	0.223	S	C	.	.	H	α-helix	trans	-56.2	-43.2	176.2	169.4	175.9	168.5	-153.3	-2.4	112.3	M272 S273 S274 I278 I279 A280 A316 M317 V320	M272-R276 PolarHBondContact O-N 3.06Å; S273-R276 PolarHBondContact O-N 3.1Å; S274-R276 PolarHBondContact O-N 3.03Å; R276-I278 VanDerWaalsContact C-N 3.34Å; R276-I279 VanDerWaalsContact O-CG2 3.28Å; R276-I279 WeakPolarHBondContact O-CG2 3.32Å; R276-A280 VanDerWaalsContact O-CB 3.23Å; R276-A280 WeakPolarHBondContact O-CB 3.34Å; R276-A280 PolarHBondContact O-N 3.41Å; R276-A316 WeakPolarHBondContact CG-O 3.29Å; R276-M317 PolarHBondContact NH2-SD 2.99Å; R276-V320 HydrophobicContact CB-CG1 3.77Å
277	K	98.6	Very high	98.2	Very high	146 Å²	146	47.3 Å²	47.3	64%	0.635	25%	0.247	S	C	*	.	H	α-helix	trans	-62.4	-43.5	-179.8	-70	176.2	-178.6	-177	0	111.2	S273 S274 A275 A280 N281	S273-K277 PolarHBondContact O-N 2.92Å; S274-K277 PolarHBondContact O-N 3.48Å; A275-K277 VanDerWaalsContact C-N 3.31Å; A275-K277 PolarHBondContact O-N 3.48Å; K277-A280 PolarHBondContact O-N 3.25Å; K277-N281 WeakPolarHBondContact O-CB 3.23Å; K277-N281 PolarHBondContact O-N 2.79Å; K277-N281 PolarHBondContact O-ND2 2.82Å; K277-N281 PolarHBondContact O-OD1 2.94Å
278	I	98.7	Very high	98.1	Very high	64 Å²	64	52.9 Å²	52.9	33%	0.328	28%	0.278	S	S	.	.	H	α-helix	trans	-64	-49	-179.6	-63.7	168.3	0	0	0	111	V174 A178 K181 S274 A275 R276 N281 S282	V174-I278 HydrophobicContact CG1-CG2 4.07Å; A178-I278 HydrophobicContact CB-CB 3.9Å; A178-I278 HydrophobicContact CB-CD1 4.11Å; A178-I278 HydrophobicContact CB-CG2 3.85Å; K181-I278 HydrophobicContact CD-CD1 4.47Å; S274-I278 PolarHBondContact O-N 3.48Å; A275-I278 PolarHBondContact O-N 3.05Å; R276-I278 VanDerWaalsContact C-N 3.34Å; I278-N281 PolarHBondContact O-N 3.32Å; I278-S282 PolarHBondContact O-N 2.83Å
279	I	98.3	Very high	98.1	Very high	2 Å²	2	53 Å²	53	1%	0.01	28%	0.278	C	S	.	.	H	α-helix	trans	-67	-38.6	179.9	-164.7	174.4	0	0	0	111.9	I171 R175 A275 R276 S282 L283 A316 I319	I171-I279 HydrophobicContact CG2-CD1 4.2Å; R175-I279 HydrophobicContact CB-CD1 3.8Å; R175-I279 HydrophobicContact CG-CD1 4.12Å; A275-I279 PolarHBondContact O-N 2.97Å; R276-I279 VanDerWaalsContact O-CG2 3.28Å; R276-I279 WeakPolarHBondContact O-CG2 3.32Å; I279-S282 PolarHBondContact O-N 3.48Å; I279-L283 HydrophobicContact CD1-CD1 4.36Å; I279-L283 HydrophobicContact CG1-CD1 3.87Å; I279-L283 HydrophobicContact CG1-CG 4.21Å; I279-L283 WeakPolarHBondContact O-CB 3.5Å; I279-L283 VanDerWaalsContact O-CG 3.32Å; I279-L283 WeakPolarHBondContact O-CG 3.3Å; I279-L283 PolarHBondContact O-N 3.37Å; I279-A316 HydrophobicContact CG2-CB 4.18Å; I279-I319 HydrophobicContact CB-CD1 4.17Å; I279-I319 HydrophobicContact CD1-CD1 3.78Å; I279-I319 HydrophobicContact CG2-CD1 3.6Å
280	A	98.6	Very high	98	Very high	21 Å²	21	57.9 Å²	57.9	17%	0.174	30%	0.301	C	S	.	.	H	α-helix	trans	-60	-50.5	177.8	0	0	0	0	0	110.2	R276 K277 S282 L283 D284 A316	R276-A280 VanDerWaalsContact O-CB 3.23Å; R276-A280 WeakPolarHBondContact O-CB 3.34Å; R276-A280 PolarHBondContact O-N 3.41Å; K277-A280 PolarHBondContact O-N 3.25Å; A280-S282 PolarHBondContact O-N 2.85Å; A280-L283 PolarHBondContact O-N 3.01Å; A280-L283 VanDerWaalsContact O-N 3.12Å; A280-D284 PolarHBondContact O-N 3.26Å; A280-A316 HydrophobicContact CB-CB 3.96Å
281	N	98.7	Very high	97.9	Very high	89 Å²	89	60.5 Å²	60.5	48%	0.476	31%	0.308	S	S	.	.	H	α-helix	trans	-59.6	-34.8	176.8	-68.1	-7.2	0	0	0	112.5	K277 I278 R285	K277-N281 WeakPolarHBondContact O-CB 3.23Å; K277-N281 PolarHBondContact O-N 2.79Å; K277-N281 PolarHBondContact O-ND2 2.82Å; K277-N281 PolarHBondContact O-OD1 2.94Å; I278-N281 PolarHBondContact O-N 3.32Å; N281-R285 WeakPolarHBondContact O-CG 3.37Å; N281-R285 VanDerWaalsContact O-CZ 3.23Å; N281-R285 PolarHBondContact O-N 3.13Å; N281-R285 PolarHBondContact O-NH1 3.22Å; N281-R285 VanDerWaalsContact O-NH1 3.15Å
282	S	98.6	Very high	97.8	Very high	6 Å²	6	60 Å²	60	4%	0.042	31%	0.307	C	S	.	.	H	α-helix	trans	-69.7	-45.2	175.2	-173.9	0	0	0	0	112.2	H170 I278 I279 A280 D284 R285 M286	H170-S282 PolarHBondContact NE2-OG 3.4Å; I278-S282 PolarHBondContact O-N 2.83Å; I279-S282 PolarHBondContact O-N 3.48Å; A280-S282 PolarHBondContact O-N 2.85Å; S282-D284 VanDerWaalsContact C-N 3.33Å; S282-D284 PolarHBondContact O-N 3.46Å; S282-R285 PolarHBondContact O-N 3.3Å; S282-M286 WeakPolarHBondContact O-CG 3.33Å; S282-M286 PolarHBondContact O-N 2.98Å
283	L	98.7	Very high	97.5	Very high	1 Å²	1	63.3 Å²	63.3	1%	0.005	33%	0.33	C	S	.	.	H	α-helix	trans	-62.8	-39.6	178.1	-74.9	164.9	0	0	0	111.5	I171 I279 A280 R285 M286 F289 K312 L315 A316	I171-L283 HydrophobicContact CD1-CD2 3.72Å; I171-L283 HydrophobicContact CG1-CD2 3.83Å; I171-L283 HydrophobicContact CG2-CD2 4.45Å; I279-L283 HydrophobicContact CD1-CD1 4.36Å; I279-L283 HydrophobicContact CG1-CD1 3.87Å; I279-L283 HydrophobicContact CG1-CG 4.21Å; I279-L283 WeakPolarHBondContact O-CB 3.5Å; I279-L283 VanDerWaalsContact O-CG 3.32Å; I279-L283 WeakPolarHBondContact O-CG 3.3Å; I279-L283 PolarHBondContact O-N 3.37Å; A280-L283 PolarHBondContact O-N 3.01Å; A280-L283 VanDerWaalsContact O-N 3.12Å; L283-R285 VanDerWaalsContact C-N 3.25Å; L283-R285 PolarHBondContact O-N 3.45Å; L283-M286 HydrophobicContact CD2-SD 4.18Å; L283-M286 WeakPolarHBondContact O-CB 3.41Å; L283-M286 PolarHBondContact O-N 2.77Å; L283-M286 VanDerWaalsContact O-N 3.12Å; L283-F289 HydrophobicContact CD2-CE2 4.28Å; L283-F289 HydrophobicContact CD2-CZ 4.22Å; L283-K312 HydrophobicContact CB-CB 4.18Å; L283-K312 HydrophobicContact CB-CG 4.09Å; L283-K312 WeakPolarHBondContact CD1-O 3.27Å; L283-K312 HydrophobicContact CD2-CG 4.5Å; L283-K312 VanDerWaalsContact O-CD 3.29Å; L283-K312 WeakPolarHBondContact O-CD 3.43Å; L283-K312 WeakPolarHBondContact O-CE 3.42Å; L283-K312 PolarHBondContact O-NZ 3.12Å; L283-K312 VanDerWaalsContact O-NZ 3.16Å; L283-L315 HydrophobicContact CD1-CB 3.92Å; L283-L315 HydrophobicContact CD2-CD1 4.22Å; L283-A316 HydrophobicContact CD1-CB 4.23Å
284	D	98.1	Very high	97.2	Very high	110 Å²	110	61.3 Å²	61.3	59%	0.588	32%	0.315	S	S	*	.	H	α-helix	trans	-64	-31.2	179.1	-68.5	-20.7	0	0	0	112.2	A280 S282	A280-D284 PolarHBondContact O-N 3.26Å; S282-D284 VanDerWaalsContact C-N 3.33Å; S282-D284 PolarHBondContact O-N 3.46Å
285	R	98.1	Very high	97	Very high	185 Å²	185	61.7 Å²	61.7	70%	0.698	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-14.2	175.6	-70.5	-172.1	-61.6	-94	1.9	114.5	N281 S282 L283	N281-R285 WeakPolarHBondContact O-CG 3.37Å; N281-R285 VanDerWaalsContact O-CZ 3.23Å; N281-R285 PolarHBondContact O-N 3.13Å; N281-R285 PolarHBondContact O-NH1 3.22Å; N281-R285 VanDerWaalsContact O-NH1 3.15Å; S282-R285 PolarHBondContact O-N 3.3Å; L283-R285 VanDerWaalsContact C-N 3.25Å; L283-R285 PolarHBondContact O-N 3.45Å
286	M	98	Very high	97	Very high	28 Å²	28	61.7 Å²	61.7	14%	0.138	32%	0.316	C	S	.	.	S	Bend	trans	-75.5	157	175.7	-65.3	174.9	77.3	0	0	110.2	E167 I171 S282 L283 F289 K312	E167-M286 HydrophobicContact CB-CE 3.69Å; E167-M286 HydrophobicContact CG-CE 3.8Å; I171-M286 HydrophobicContact CD1-CE 3.92Å; I171-M286 HydrophobicContact CD1-SD 4Å; I171-M286 HydrophobicContact CG1-CE 3.9Å; I171-M286 HydrophobicContact CG1-SD 3.65Å; S282-M286 WeakPolarHBondContact O-CG 3.33Å; S282-M286 PolarHBondContact O-N 2.98Å; L283-M286 HydrophobicContact CD2-SD 4.18Å; L283-M286 WeakPolarHBondContact O-CB 3.41Å; L283-M286 PolarHBondContact O-N 2.77Å; L283-M286 VanDerWaalsContact O-N 3.12Å; M286-F289 HydrophobicContact CB-CE1 4.06Å; M286-F289 HydrophobicContact CB-CZ 4.05Å; M286-F289 HydrophobicContact CE-CE1 3.86Å; M286-F289 HydrophobicContact CE-CZ 4Å; M286-F289 HydrophobicContact SD-CE1 4.41Å; M286-F289 HydrophobicContact SD-CZ 4.02Å; M286-K312 PolarHBondContact O-NZ 3.3Å
287	G	95.7	Very high	96.9	Very high	49 Å²	49	56.9 Å²	56.9	51%	0.505	30%	0.298	S	S	.	.			trans	-66.8	-164.4	176	0	0	0	0	0	113.6	K312	G287-K312 WeakPolarHBondContact O-CE 3.28Å; G287-K312 PolarHBondContact O-NZ 3.18Å
288	D	97.6	Very high	96.9	Very high	130 Å²	130	50 Å²	50	70%	0.695	27%	0.268	S	S	*	.	P	Polyproline II helix	trans	-77.5	136.7	173.9	-74.8	-41.6	0	0	0	111.7	T308	D288-T308 PolarHBondContact OD1-OG1 2.98Å
289	F	97.7	Very high	96.7	Very high	10 Å²	10	47 Å²	47	4%	0.044	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-91.2	159.5	174.7	-58.5	-31.6	0	0	0	110	A162 L163 I171 L283 M286 T308 I311 K312	A162-F289 WeakPolarHBondContact O-CB 3.44Å; L163-F289 HydrophobicContact CD2-CB 4.33Å; L163-F289 HydrophobicContact CD2-CD1 3.46Å; L163-F289 VanDerWaalsContact CD2-CD1 3.46Å; L163-F289 HydrophobicContact CD2-CD2 3.79Å; L163-F289 HydrophobicContact CD2-CE1 3.56Å; L163-F289 HydrophobicContact CD2-CE2 3.86Å; L163-F289 HydrophobicContact CD2-CG 3.59Å; L163-F289 HydrophobicContact CD2-CZ 3.76Å; I171-F289 HydrophobicContact CD1-CZ 4.25Å; L283-F289 HydrophobicContact CD2-CE2 4.28Å; L283-F289 HydrophobicContact CD2-CZ 4.22Å; M286-F289 HydrophobicContact CB-CE1 4.06Å; M286-F289 HydrophobicContact CB-CZ 4.05Å; M286-F289 HydrophobicContact CE-CE1 3.86Å; M286-F289 HydrophobicContact CE-CZ 4Å; M286-F289 HydrophobicContact SD-CE1 4.41Å; M286-F289 HydrophobicContact SD-CZ 4.02Å; F289-T308 HydrophobicContact CB-CG2 4.47Å; F289-T308 HydrophobicContact CD2-CG2 4.21Å; F289-T308 HydrophobicContact CG-CG2 4.36Å; F289-T308 PolarHBondContact N-OG1 3.01Å; F289-T308 PolarHBondContact O-OG1 3.18Å; F289-I311 HydrophobicContact CB-CD1 4.2Å; F289-I311 HydrophobicContact CD2-CB 3.99Å; F289-I311 HydrophobicContact CD2-CD1 4.47Å; F289-I311 HydrophobicContact CD2-CG2 3.61Å; F289-I311 HydrophobicContact CE2-CG2 3.91Å; F289-K312 HydrophobicContact CD2-CG 4.17Å; F289-K312 HydrophobicContact CE2-CD 4.36Å; F289-K312 HydrophobicContact CE2-CG 3.54Å; F289-K312 HydrophobicContact CZ-CG 4.3Å
290	Q	97.1	Very high	96.7	Very high	103 Å²	103	48.1 Å²	48.1	48%	0.481	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-81.5	156.7	176.7	-56.5	-61.2	-60.3	0	0	110.5	G161 A162	G161-Q290 WeakPolarHBondContact O-CB 3.38Å; A162-Q290 WeakPolarHBondContact CA-O 3.16Å; A162-Q290 WeakPolarHBondContact CB-O 3.42Å; A162-Q290 PolarHBondContact O-N 3.36Å
291	E	95.4	Very high	96.6	Very high	109 Å²	109	49.5 Å²	49.5	51%	0.509	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-65.5	132.9	167.3	-169.1	64.1	-160.2	0	0	108.9	S293 R306 G307	E291-S293 PolarHBondContact O-N 3.1Å; E291-R306 WeakPolarHBondContact OE1-CA 3.24Å; E291-G307 VanDerWaalsContact OE2-CA 3.26Å; E291-G307 WeakPolarHBondContact OE2-CA 3.46Å; E291-G307 PolarHBondContact OE2-N 3.08Å
292	P	95.2	Very high	96.5	Very high	15 Å²	15	46 Å²	46	10%	0.097	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-55.5	122.6	173.4	-23.7	32.5	0	0	0	111.3	L157 A162 I294 V296 I311	L157-P292 HydrophobicContact CD2-CG 4.45Å; A162-P292 HydrophobicContact CB-CB 4.32Å; A162-P292 HydrophobicContact CB-CG 3.87Å; P292-I294 WeakPolarHBondContact CB-O 3.18Å; P292-I294 PolarHBondContact O-N 2.96Å; P292-V296 HydrophobicContact CB-CG2 4.12Å; P292-I311 HydrophobicContact CG-CD1 4.49Å
293	S	92	Very high	96.3	Very high	70 Å²	70	49.9 Å²	49.9	49%	0.49	27%	0.266	S	S	.	.	S	Bend	trans	-69.3	-20.7	177.8	63.5	0	0	0	0	113.3	S160 E291	S160-S293 WeakPolarHBondContact O-CB 3.48Å; S160-S293 PolarHBondContact O-N 2.99Å; S160-S293 PolarHBondContact O-OG 3.38Å; E291-S293 PolarHBondContact O-N 3.1Å
294	I	91.1	Very high	96.1	Very high	12 Å²	12	50.7 Å²	50.7	6%	0.062	27%	0.271	C	S	.	.	S	Bend	trans	-130	140.5	173.3	-61.7	166.9	0	0	0	106.7	C143 F159 P292 V296	C143-I294 HydrophobicContact CB-CD1 4.03Å; C143-I294 WeakPolarHBondContact O-CD1 3.45Å; F159-I294 HydrophobicContact CE1-CD1 4.39Å; F159-I294 HydrophobicContact CZ-CD1 4.44Å; P292-I294 WeakPolarHBondContact CB-O 3.18Å; P292-I294 PolarHBondContact O-N 2.96Å; I294-V296 PolarHBondContact O-N 3.34Å
295	P	94.7	Very high	96	Very high	44 Å²	44	45.6 Å²	45.6	29%	0.286	24%	0.244	S	C	.	.			trans	-54.3	123.9	177.7	-25.9	34.2	0	0	0	112.1	V144 V145 T146 I297	V144-P295 WeakPolarHBondContact O-CD 3.2Å; V145-P295 HydrophobicContact CG2-CB 4.23Å; V145-P295 WeakPolarHBondContact CG2-O 3.45Å; T146-P295 PolarHBondContact N-O 3.31Å; P295-I297 HydrophobicContact CB-CD1 4.49Å
296	V	96.8	Very high	95.8	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	115.7	170.4	-174.9	0	0	0	0	108.1	T146 A156 L157 S160 P292 I294 P304 Y305	T146-V296 HydrophobicContact CG2-CB 4.24Å; T146-V296 HydrophobicContact CG2-CG1 4.43Å; T146-V296 HydrophobicContact CG2-CG2 3.66Å; T146-V296 WeakPolarHBondContact O-CA 3.43Å; A156-V296 HydrophobicContact CB-CG1 3.69Å; L157-V296 HydrophobicContact CD2-CB 4.26Å; L157-V296 HydrophobicContact CD2-CG1 4.29Å; L157-V296 HydrophobicContact CD2-CG2 4.16Å; L157-V296 HydrophobicContact CG-CG1 4.25Å; S160-V296 VanDerWaalsContact CB-CG2 3.44Å; S160-V296 VanDerWaalsContact OG-CG2 3.29Å; S160-V296 WeakPolarHBondContact OG-CG2 3.44Å; P292-V296 HydrophobicContact CB-CG2 4.12Å; I294-V296 PolarHBondContact O-N 3.34Å; V296-P304 CarbonylContact O-C 3.55Å; V296-P304 VanDerWaalsContact O-CA 3.25Å; V296-P304 WeakPolarHBondContact O-CA 3.45Å; V296-Y305 HydrophobicContact CB-CD2 3.97Å; V296-Y305 HydrophobicContact CG1-CD2 3.82Å; V296-Y305 HydrophobicContact CG1-CE2 4.21Å; V296-Y305 WeakPolarHBondContact O-CD2 3.44Å; V296-Y305 PolarHBondContact O-N 3.43Å
297	I	96.9	Very high	95.6	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	121.1	-177.5	-51.8	-49.5	0	0	0	110.3	Y47 V145 T146 A147 P295 V302 P304 T328 L332	Y47-I297 HydrophobicContact CD2-CD1 3.27Å; Y47-I297 HydrophobicContact CD2-CG1 4.07Å; Y47-I297 HydrophobicContact CE2-CD1 3.71Å; Y47-I297 HydrophobicContact CE2-CG1 4.2Å; Y47-I297 HydrophobicContact CE2-CG2 4.31Å; Y47-I297 HydrophobicContact CG-CD1 3.77Å; V145-I297 HydrophobicContact CG2-CD1 3.91Å; V145-I297 HydrophobicContact CG2-CG1 3.67Å; T146-I297 PolarHBondContact O-N 3.47Å; A147-I297 HydrophobicContact CB-CB 4.29Å; P295-I297 HydrophobicContact CB-CD1 4.49Å; I297-V302 HydrophobicContact CG2-CG1 4.29Å; I297-P304 HydrophobicContact CD1-CB 4.43Å; I297-P304 HydrophobicContact CD1-CG 3.82Å; I297-T328 HydrophobicContact CB-CG2 4.34Å; I297-T328 HydrophobicContact CG2-CG2 4.07Å; I297-L332 HydrophobicContact CG1-CD2 3.9Å
298	S	98	Very high	95.6	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	131.7	175.3	124.2	0	0	0	0	111.4	E153 V300 D301 V302 L303	E153-S298 WeakPolarHBondContact OE2-CA 3.28Å; S298-V300 PolarHBondContact O-N 2.95Å; S298-V300 PolarHBondContact OG-N 2.9Å; S298-D301 PolarHBondContact OG-OD1 3.16Å; S298-V302 WeakPolarHBondContact O-CA 3.25Å; S298-V302 PolarHBondContact O-N 2.84Å; S298-L303 PolarHBondContact N-O 3.05Å
299	A	95.8	Very high	95.7	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.008	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-3.1	177.7	0	0	0	0	0	113.1	E153 V323 R324	E153-A299 WeakPolarHBondContact OE1-CB 3.49Å; E153-A299 PolarHBondContact OE1-N 3.15Å; E153-A299 PolarHBondContact OE2-N 3.22Å; A299-V323 HydrophobicContact CB-CB 4.43Å; A299-V323 HydrophobicContact CB-CG1 3.63Å; A299-R324 WeakPolarHBondContact O-CB 3.23Å; A299-R324 WeakPolarHBondContact O-CG 3.48Å; A299-R324 PolarHBondContact O-N 3.07Å
300	V	97.9	Very high	95.7	Very high	27 Å²	27	45.4 Å²	45.4	16%	0.164	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-45.8	178	177.4	0	0	0	0	111.2	S298 M317 Q318 R321	S298-V300 PolarHBondContact O-N 2.95Å; S298-V300 PolarHBondContact OG-N 2.9Å; V300-M317 HydrophobicContact CG1-CB 4.44Å; V300-Q318 HydrophobicContact CG2-CB 3.83Å; V300-Q318 HydrophobicContact CG2-CG 4.19Å; V300-R321 HydrophobicContact CG1-CB 4.22Å; V300-R321 HydrophobicContact CG1-CG 4.37Å
301	D	96.5	Very high	95.8	Very high	50 Å²	50	40.5 Å²	40.5	27%	0.267	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-129.3	-2.7	-173.9	60.9	-4.9	0	0	0	113.6	S298 L303 K314	S298-D301 PolarHBondContact OG-OD1 3.16Å; D301-L303 VanDerWaalsContact C-N 3.3Å; D301-L303 PolarHBondContact OD1-N 3.33Å; D301-K314 WeakPolarHBondContact OD1-CE 3.38Å; D301-K314 IonicContact OD1-NZ 3.67Å; D301-K314 PolarHBondContact OD1-NZ 2.83Å; D301-K314 WeakPolarHBondContact OD2-CE 3.37Å; D301-K314 IonicContact OD2-NZ 3.16Å; D301-K314 PolarHBondContact OD2-NZ 2.84Å
302	V	95.7	Very high	95.9	Very high	15 Å²	15	36.5 Å²	36.5	9%	0.091	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	47.8	-178.3	-162.9	0	0	0	0	109.3	Y47 I297 S298 R324 Q327 A331	Y47-V302 VanDerWaalsContact CZ-O 3.23Å; Y47-V302 WeakPolarHBondContact OH-CG1 3.33Å; Y47-V302 PolarHBondContact OH-O 3.16Å; I297-V302 HydrophobicContact CG2-CG1 4.29Å; S298-V302 WeakPolarHBondContact O-CA 3.25Å; S298-V302 PolarHBondContact O-N 2.84Å; V302-R324 HydrophobicContact CG2-CB 3.77Å; V302-Q327 HydrophobicContact CG1-CB 4.45Å; V302-Q327 HydrophobicContact CG2-CB 3.75Å; V302-A331 HydrophobicContact CG1-CB 3.65Å
303	L	94.8	Very high	96.1	Very high	87 Å²	87	42.4 Å²	42.4	46%	0.455	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	150.7	175.5	-67.1	175.7	0	0	0	109.5	Y47 S298 D301 K314	Y47-L303 HydrophobicContact CE1-CD2 3.91Å; S298-L303 PolarHBondContact N-O 3.05Å; D301-L303 VanDerWaalsContact C-N 3.3Å; D301-L303 PolarHBondContact OD1-N 3.33Å; L303-K314 PolarHBondContact O-NZ 2.77Å
304	P	95.4	Very high	96.4	Very high	18 Å²	18	39.2 Å²	39.2	12%	0.117	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.7	145.9	174	-25.4	33	0	0	0	112.6	Y47 V296 I297 K314	Y47-P304 HydrophobicContact CD1-CG 3.72Å; Y47-P304 HydrophobicContact CG-CG 3.75Å; V296-P304 CarbonylContact O-C 3.55Å; V296-P304 VanDerWaalsContact O-CA 3.25Å; V296-P304 WeakPolarHBondContact O-CA 3.45Å; I297-P304 HydrophobicContact CD1-CB 4.43Å; I297-P304 HydrophobicContact CD1-CG 3.82Å; P304-K314 PolarHBondContact O-NZ 3.23Å
305	Y	96.2	Very high	96.7	Very high	3 Å²	3	38.8 Å²	38.8	1%	0.012	19%	0.192	C	C	.	.			trans	-66.4	143.9	162.4	-78.8	-83.3	0	0	0	110.8	E153 L157 V296 I311 K314 L315	E153-Y305 WeakPolarHBondContact OE2-CE2 3.23Å; E153-Y305 PolarHBondContact OE2-OH 3.34Å; L157-Y305 HydrophobicContact CD1-CE1 4.36Å; L157-Y305 HydrophobicContact CD1-CE2 4.35Å; L157-Y305 HydrophobicContact CD2-CD1 4.43Å; L157-Y305 HydrophobicContact CD2-CD2 4Å; L157-Y305 HydrophobicContact CD2-CG 3.95Å; L157-Y305 HydrophobicContact CG-CD2 4.49Å; V296-Y305 HydrophobicContact CB-CD2 3.97Å; V296-Y305 HydrophobicContact CG1-CD2 3.82Å; V296-Y305 HydrophobicContact CG1-CE2 4.21Å; V296-Y305 WeakPolarHBondContact O-CD2 3.44Å; V296-Y305 PolarHBondContact O-N 3.43Å; Y305-I311 HydrophobicContact CD1-CB 4.15Å; Y305-I311 HydrophobicContact CD1-CG1 3.69Å; Y305-I311 HydrophobicContact CE1-CG1 4.49Å; Y305-I311 HydrophobicContact CG-CG1 4.22Å; Y305-K314 HydrophobicContact CD1-CB 4.15Å; Y305-K314 HydrophobicContact CD1-CD 3.88Å; Y305-K314 HydrophobicContact CE1-CB 3.38Å; Y305-K314 HydrophobicContact CE1-CD 3.83Å; Y305-K314 HydrophobicContact CE1-CG 4.24Å; Y305-L315 HydrophobicContact CE1-CG 4.44Å
306	R	93.6	Very high	96.9	Very high	151 Å²	151	37 Å²	37	57%	0.57	18%	0.181	S	C	*	.			trans	-148	109.7	179.5	-65.9	-170.9	-178.1	172.9	4.5	113.4	E291 N310	E291-R306 WeakPolarHBondContact OE1-CA 3.24Å; R306-N310 PolarHBondContact N-OD1 3.27Å; R306-N310 WeakPolarHBondContact O-CB 3.43Å
307	G	92.7	Very high	97	Very high	23 Å²	23	38 Å²	38	24%	0.237	19%	0.186	C	C	.	.	H	α-helix	trans	68.4	164.2	178.2	0	0	0	0	0	115	E291 M309 N310 I311	E291-G307 VanDerWaalsContact OE2-CA 3.26Å; E291-G307 WeakPolarHBondContact OE2-CA 3.46Å; E291-G307 PolarHBondContact OE2-N 3.08Å; G307-M309 PolarHBondContact O-N 3.33Å; G307-N310 PolarHBondContact O-N 3.3Å; G307-I311 WeakPolarHBondContact O-CG1 3.27Å; G307-I311 PolarHBondContact O-N 2.86Å; G307-I311 VanDerWaalsContact O-N 3.11Å
308	T	97.6	Very high	97.1	Very high	24 Å²	24	38.1 Å²	38.1	15%	0.147	19%	0.186	C	C	.	.	H	α-helix	trans	-50.3	-55.2	-174.2	-54.9	0	0	0	0	113.5	D288 F289 N310 I311 K312	D288-T308 PolarHBondContact OD1-OG1 2.98Å; F289-T308 HydrophobicContact CB-CG2 4.47Å; F289-T308 HydrophobicContact CD2-CG2 4.21Å; F289-T308 HydrophobicContact CG-CG2 4.36Å; F289-T308 PolarHBondContact N-OG1 3.01Å; F289-T308 PolarHBondContact O-OG1 3.18Å; T308-N310 VanDerWaalsContact C-N 3.29Å; T308-N310 PolarHBondContact O-N 2.96Å; T308-I311 PolarHBondContact O-N 3.47Å; T308-K312 HydrophobicContact CG2-CD 3.89Å; T308-K312 VanDerWaalsContact CG2-CE 3.42Å; T308-K312 HydrophobicContact CG2-CG 4.33Å; T308-K312 WeakPolarHBondContact O-CG 3.15Å; T308-K312 PolarHBondContact O-N 2.85Å
309	M	97.9	Very high	97.1	Very high	163 Å²	163	38.1 Å²	38.1	80%	0.803	19%	0.186	S	C	*	.	H	α-helix	trans	-64.2	-35.8	-172.9	-168.2	-176.5	-171.2	0	0	112	G307 R313	G307-M309 PolarHBondContact O-N 3.33Å; M309-R313 VanDerWaalsContact O-CB 3.24Å; M309-R313 WeakPolarHBondContact O-CB 3.49Å; M309-R313 PolarHBondContact O-N 2.87Å
310	N	98	Very high	97.2	Very high	38 Å²	38	38.6 Å²	38.6	20%	0.203	19%	0.189	C	C	.	.	H	α-helix	trans	-67.7	-44.7	176.4	-168.6	-97.8	0	0	0	111.2	R306 G307 T308 R313 K314	R306-N310 PolarHBondContact N-OD1 3.27Å; R306-N310 WeakPolarHBondContact O-CB 3.43Å; G307-N310 PolarHBondContact O-N 3.3Å; T308-N310 VanDerWaalsContact C-N 3.29Å; T308-N310 PolarHBondContact O-N 2.96Å; N310-R313 PolarHBondContact O-N 3.45Å; N310-K314 VanDerWaalsContact O-CB 3.3Å; N310-K314 WeakPolarHBondContact O-CB 3.37Å; N310-K314 WeakPolarHBondContact O-CG 3.2Å; N310-K314 PolarHBondContact O-N 2.9Å; N310-K314 WeakPolarHBondContact OD1-CD 3.3Å; N310-K314 VanDerWaalsContact OD1-CE 3.27Å; N310-K314 WeakPolarHBondContact OD1-CE 3.17Å
311	I	98.7	Very high	97.3	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-58.4	-54.6	177	-67.2	166	0	0	0	110.3	L157 A162 F289 P292 Y305 G307 T308 R313 K314 L315	L157-I311 HydrophobicContact CD1-CG2 3.99Å; L157-I311 HydrophobicContact CD2-CD1 4.25Å; L157-I311 HydrophobicContact CD2-CG1 4.23Å; L157-I311 HydrophobicContact CD2-CG2 4.49Å; A162-I311 HydrophobicContact CB-CD1 4.06Å; F289-I311 HydrophobicContact CB-CD1 4.2Å; F289-I311 HydrophobicContact CD2-CB 3.99Å; F289-I311 HydrophobicContact CD2-CD1 4.47Å; F289-I311 HydrophobicContact CD2-CG2 3.61Å; F289-I311 HydrophobicContact CE2-CG2 3.91Å; P292-I311 HydrophobicContact CG-CD1 4.49Å; Y305-I311 HydrophobicContact CD1-CB 4.15Å; Y305-I311 HydrophobicContact CD1-CG1 3.69Å; Y305-I311 HydrophobicContact CE1-CG1 4.49Å; Y305-I311 HydrophobicContact CG-CG1 4.22Å; G307-I311 WeakPolarHBondContact O-CG1 3.27Å; G307-I311 PolarHBondContact O-N 2.86Å; G307-I311 VanDerWaalsContact O-N 3.11Å; T308-I311 PolarHBondContact O-N 3.47Å; I311-R313 PolarHBondContact O-N 2.67Å; I311-K314 PolarHBondContact O-N 2.77Å; I311-L315 HydrophobicContact CG2-CD1 3.74Å; I311-L315 HydrophobicContact CG2-CG 4.28Å; I311-L315 WeakPolarHBondContact O-CB 3.43Å; I311-L315 WeakPolarHBondContact O-CG 3.41Å; I311-L315 PolarHBondContact O-N 3.33Å
312	K	98.7	Very high	97.4	Very high	25 Å²	25	42.6 Å²	42.6	11%	0.109	20%	0.201	C	C	.	.	H	α-helix	trans	-55.1	-51.2	178.9	-68.5	-178.3	177.5	-178.6	0	111.4	L283 M286 G287 F289 T308 K314 A316	L283-K312 HydrophobicContact CB-CB 4.18Å; L283-K312 HydrophobicContact CB-CG 4.09Å; L283-K312 WeakPolarHBondContact CD1-O 3.27Å; L283-K312 HydrophobicContact CD2-CG 4.5Å; L283-K312 VanDerWaalsContact O-CD 3.29Å; L283-K312 WeakPolarHBondContact O-CD 3.43Å; L283-K312 WeakPolarHBondContact O-CE 3.42Å; L283-K312 PolarHBondContact O-NZ 3.12Å; L283-K312 VanDerWaalsContact O-NZ 3.16Å; M286-K312 PolarHBondContact O-NZ 3.3Å; G287-K312 WeakPolarHBondContact O-CE 3.28Å; G287-K312 PolarHBondContact O-NZ 3.18Å; F289-K312 HydrophobicContact CD2-CG 4.17Å; F289-K312 HydrophobicContact CE2-CD 4.36Å; F289-K312 HydrophobicContact CE2-CG 3.54Å; F289-K312 HydrophobicContact CZ-CG 4.3Å; T308-K312 HydrophobicContact CG2-CD 3.89Å; T308-K312 VanDerWaalsContact CG2-CE 3.42Å; T308-K312 HydrophobicContact CG2-CG 4.33Å; T308-K312 WeakPolarHBondContact O-CG 3.15Å; T308-K312 PolarHBondContact O-N 2.85Å; K312-K314 PolarHBondContact O-N 2.62Å; K312-A316 PolarHBondContact O-N 3.1Å; K312-A316 VanDerWaalsContact O-N 3.12Å
313	R	98.4	Very high	97.5	Very high	138 Å²	138	42 Å²	42	52%	0.521	20%	0.197	S	C	.	.	H	α-helix	trans	-61.2	-48.6	-179.2	-174.3	-176.6	66.3	92.2	3.5	112.2	M309 N310 I311 A316 M317	M309-R313 VanDerWaalsContact O-CB 3.24Å; M309-R313 WeakPolarHBondContact O-CB 3.49Å; M309-R313 PolarHBondContact O-N 2.87Å; N310-R313 PolarHBondContact O-N 3.45Å; I311-R313 PolarHBondContact O-N 2.67Å; R313-A316 PolarHBondContact O-N 2.9Å; R313-M317 HydrophobicContact CG-CG 4.44Å; R313-M317 WeakPolarHBondContact O-CB 3.48Å; R313-M317 VanDerWaalsContact O-CG 3.24Å; R313-M317 WeakPolarHBondContact O-CG 3.46Å; R313-M317 PolarHBondContact O-N 2.85Å
314	K	98.7	Very high	97.7	Very high	4 Å²	4	42.8 Å²	42.8	2%	0.017	19%	0.194	C	C	.	.	H	α-helix	trans	-68.4	-41.3	-176.5	-77.9	-174.5	178.8	-162.5	0	111.9	D301 L303 P304 Y305 N310 I311 K312 A316 M317 Q318	D301-K314 WeakPolarHBondContact OD1-CE 3.38Å; D301-K314 IonicContact OD1-NZ 3.67Å; D301-K314 PolarHBondContact OD1-NZ 2.83Å; D301-K314 WeakPolarHBondContact OD2-CE 3.37Å; D301-K314 IonicContact OD2-NZ 3.16Å; D301-K314 PolarHBondContact OD2-NZ 2.84Å; L303-K314 PolarHBondContact O-NZ 2.77Å; P304-K314 PolarHBondContact O-NZ 3.23Å; Y305-K314 HydrophobicContact CD1-CB 4.15Å; Y305-K314 HydrophobicContact CD1-CD 3.88Å; Y305-K314 HydrophobicContact CE1-CB 3.38Å; Y305-K314 HydrophobicContact CE1-CD 3.83Å; Y305-K314 HydrophobicContact CE1-CG 4.24Å; N310-K314 VanDerWaalsContact O-CB 3.3Å; N310-K314 WeakPolarHBondContact O-CB 3.37Å; N310-K314 WeakPolarHBondContact O-CG 3.2Å; N310-K314 PolarHBondContact O-N 2.9Å; N310-K314 WeakPolarHBondContact OD1-CD 3.3Å; N310-K314 VanDerWaalsContact OD1-CE 3.27Å; N310-K314 WeakPolarHBondContact OD1-CE 3.17Å; I311-K314 PolarHBondContact O-N 2.77Å; K312-K314 PolarHBondContact O-N 2.62Å; K314-A316 VanDerWaalsContact C-N 3.34Å; K314-A316 PolarHBondContact O-N 2.65Å; K314-M317 PolarHBondContact O-N 2.74Å; K314-Q318 WeakPolarHBondContact O-CB 3.38Å; K314-Q318 PolarHBondContact O-N 3.26Å
315	L	98.8	Very high	97.8	Very high	3 Å²	3	41.9 Å²	41.9	2%	0.016	19%	0.188	C	C	.	.	H	α-helix	trans	-59.7	-42.6	174.6	-73.1	178.5	0	0	0	112	I154 L157 I171 L283 Y305 I311 Q318	I154-L315 HydrophobicContact CG1-CD2 3.78Å; L157-L315 HydrophobicContact CD1-CD1 3.95Å; L157-L315 HydrophobicContact CD1-CD2 3.86Å; L157-L315 HydrophobicContact CD1-CG 4.13Å; I171-L315 HydrophobicContact CD1-CD1 4.33Å; I171-L315 HydrophobicContact CG2-CD1 4.49Å; L283-L315 HydrophobicContact CD1-CB 3.92Å; L283-L315 HydrophobicContact CD2-CD1 4.22Å; Y305-L315 HydrophobicContact CE1-CG 4.44Å; I311-L315 HydrophobicContact CG2-CD1 3.74Å; I311-L315 HydrophobicContact CG2-CG 4.28Å; I311-L315 WeakPolarHBondContact O-CB 3.43Å; I311-L315 WeakPolarHBondContact O-CG 3.41Å; I311-L315 PolarHBondContact O-N 3.33Å; L315-Q318 WeakPolarHBondContact O-CB 3.36Å; L315-Q318 PolarHBondContact O-N 3.01Å
316	A	98.7	Very high	97.9	Very high	7 Å²	7	42.8 Å²	42.8	6%	0.058	19%	0.193	C	C	.	.	H	α-helix	trans	-66.5	-40.7	175.1	0	0	0	0	0	112.6	R276 I279 A280 L283 K312 R313 K314	R276-A316 WeakPolarHBondContact CG-O 3.29Å; I279-A316 HydrophobicContact CG2-CB 4.18Å; A280-A316 HydrophobicContact CB-CB 3.96Å; L283-A316 HydrophobicContact CD1-CB 4.23Å; K312-A316 PolarHBondContact O-N 3.1Å; K312-A316 VanDerWaalsContact O-N 3.12Å; R313-A316 PolarHBondContact O-N 2.9Å; K314-A316 VanDerWaalsContact C-N 3.34Å; K314-A316 PolarHBondContact O-N 2.65Å
317	M	98.5	Very high	98.1	Very high	21 Å²	21	38.5 Å²	38.5	10%	0.103	18%	0.179	C	C	.	.	H	α-helix	trans	-68.1	-33.3	178.4	-74.5	-57.8	-53.2	0	0	113.1	R276 V300 R313 K314 I319 V320 R321	R276-M317 PolarHBondContact NH2-SD 2.99Å; V300-M317 HydrophobicContact CG1-CB 4.44Å; R313-M317 HydrophobicContact CG-CG 4.44Å; R313-M317 WeakPolarHBondContact O-CB 3.48Å; R313-M317 VanDerWaalsContact O-CG 3.24Å; R313-M317 WeakPolarHBondContact O-CG 3.46Å; R313-M317 PolarHBondContact O-N 2.85Å; K314-M317 PolarHBondContact O-N 2.74Å; M317-I319 PolarHBondContact O-N 3.22Å; M317-I319 VanDerWaalsContact O-N 3.16Å; M317-V320 HydrophobicContact CE-CG2 4.17Å; M317-V320 WeakPolarHBondContact O-CG2 3.42Å; M317-V320 PolarHBondContact O-N 3.21Å; M317-R321 HydrophobicContact CE-CG 3.63Å; M317-R321 WeakPolarHBondContact O-CB 3.36Å; M317-R321 WeakPolarHBondContact O-CG 3.32Å; M317-R321 PolarHBondContact O-N 3.04Å; M317-R321 VanDerWaalsContact O-N 3.13Å
318	Q	98.5	Very high	98.3	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.009	17%	0.168	C	C	.	.	H	α-helix	trans	-53.7	-36.2	-178.1	-170.8	-146.6	67.7	0	0	112.3	S150 E153 H268 V300 K314 L315 V320 R321	S150-Q318 PolarHBondContact O-NE2 3.44Å; E153-Q318 PolarHBondContact OE1-NE2 2.69Å; H268-Q318 PolarHBondContact ND1-O 3.49Å; V300-Q318 HydrophobicContact CG2-CB 3.83Å; V300-Q318 HydrophobicContact CG2-CG 4.19Å; K314-Q318 WeakPolarHBondContact O-CB 3.38Å; K314-Q318 PolarHBondContact O-N 3.26Å; L315-Q318 WeakPolarHBondContact O-CB 3.36Å; L315-Q318 PolarHBondContact O-N 3.01Å; Q318-V320 PolarHBondContact O-N 3.4Å; Q318-R321 PolarHBondContact O-N 3.34Å
319	I	98.2	Very high	98.3	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-24.3	-177.7	-61.2	-174.4	0	0	0	112.9	R175 M179 H268 M272 A275 I279 M317	R175-I319 HydrophobicContact CG-CD1 3.9Å; M179-I319 HydrophobicContact CG-CD1 4.31Å; M179-I319 HydrophobicContact CG-CG2 3.97Å; M179-I319 HydrophobicContact SD-CD1 4.31Å; M179-I319 HydrophobicContact SD-CG1 4.34Å; M179-I319 HydrophobicContact SD-CG2 4.2Å; H268-I319 WeakPolarHBondContact CA-O 3.49Å; H268-I319 PolarHBondContact N-O 2.94Å; H268-I319 VanDerWaalsContact N-O 3.12Å; M272-I319 HydrophobicContact CB-CG2 3.6Å; M272-I319 HydrophobicContact CG-CG2 4.3Å; A275-I319 HydrophobicContact CB-CG2 4.1Å; I279-I319 HydrophobicContact CB-CD1 4.17Å; I279-I319 HydrophobicContact CD1-CD1 3.78Å; I279-I319 HydrophobicContact CG2-CD1 3.6Å; M317-I319 PolarHBondContact O-N 3.22Å; M317-I319 VanDerWaalsContact O-N 3.16Å
320	V	98.4	Very high	98.1	Very high	11 Å²	11	33.1 Å²	33.1	7%	0.067	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.5	8.5	-176.1	-60.9	0	0	0	0	113.5	T269 M272 R276 M317 Q318	T269-V320 WeakPolarHBondContact O-CA 3.24Å; M272-V320 HydrophobicContact CB-CG1 4.1Å; R276-V320 HydrophobicContact CB-CG1 3.77Å; M317-V320 HydrophobicContact CE-CG2 4.17Å; M317-V320 WeakPolarHBondContact O-CG2 3.42Å; M317-V320 PolarHBondContact O-N 3.21Å; Q318-V320 PolarHBondContact O-N 3.4Å
321	R	98.6	Very high	97.7	Very high	134 Å²	134	31.6 Å²	31.6	51%	0.506	13%	0.133	S	C	.	.	S	Bend	trans	-124.9	148.8	178.9	-68.1	-65	178	127.1	-3.4	109.6	H268 V300 M317 Q318	H268-R321 VanDerWaalsContact CB-O 3.3Å; H268-R321 WeakPolarHBondContact CB-O 3.13Å; H268-R321 PolarHBondContact ND1-O 2.9Å; H268-R321 CarbonylContact O-C 3.5Å; V300-R321 HydrophobicContact CG1-CB 4.22Å; V300-R321 HydrophobicContact CG1-CG 4.37Å; M317-R321 HydrophobicContact CE-CG 3.63Å; M317-R321 WeakPolarHBondContact O-CB 3.36Å; M317-R321 WeakPolarHBondContact O-CG 3.32Å; M317-R321 PolarHBondContact O-N 3.04Å; M317-R321 VanDerWaalsContact O-N 3.13Å; Q318-R321 PolarHBondContact O-N 3.34Å
322	P	98.7	Very high	97.4	Very high	28 Å²	28	31.6 Å²	31.6	18%	0.182	13%	0.133	C	C	.	.			trans	-61.1	144	-178.4	24.3	-34	0	0	0	111.7	V225 A226 Y228 R324	V225-P322 WeakPolarHBondContact O-CB 3.42Å; A226-P322 CarbonylContact O-C 3.52Å; A226-P322 WeakPolarHBondContact O-CA 3.31Å; Y228-P322 HydrophobicContact CD2-CB 4.16Å; Y228-P322 HydrophobicContact CE2-CB 3.85Å; Y228-P322 HydrophobicContact CE2-CG 4.13Å; P322-R324 PolarHBondContact O-N 2.63Å
323	V	98.8	Very high	97.1	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.006	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	106.5	166.1	-173.5	0	0	0	0	107.6	F149 A226 N227 Y228 H268 A299 W325	F149-V323 HydrophobicContact CD2-CG1 3.96Å; F149-V323 HydrophobicContact CE2-CG1 3.98Å; A226-V323 PolarHBondContact O-N 2.83Å; N227-V323 WeakPolarHBondContact CA-O 3.33Å; N227-V323 WeakPolarHBondContact ND2-CB 3.37Å; N227-V323 VanDerWaalsContact ND2-CG2 3.27Å; N227-V323 WeakPolarHBondContact ND2-CG2 3.23Å; Y228-V323 PolarHBondContact N-O 2.92Å; H268-V323 WeakPolarHBondContact CE1-CG2 3.44Å; H268-V323 WeakPolarHBondContact NE2-CG2 3.21Å; A299-V323 HydrophobicContact CB-CB 4.43Å; A299-V323 HydrophobicContact CB-CG1 3.63Å; V323-W325 HydrophobicContact CG1-CB 4.23Å; V323-W325 PolarHBondContact O-N 3.34Å
324	R	98.7	Very high	96.5	Very high	104 Å²	104	30.3 Å²	30.3	39%	0.392	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	55.1	-180	-62.6	179.8	169.8	-169.4	-3.7	111.8	Y228 A299 V302 P322 Q327 T328	Y228-R324 HydrophobicContact CD2-CG 4.23Å; A299-R324 WeakPolarHBondContact O-CB 3.23Å; A299-R324 WeakPolarHBondContact O-CG 3.48Å; A299-R324 PolarHBondContact O-N 3.07Å; V302-R324 HydrophobicContact CG2-CB 3.77Å; P322-R324 PolarHBondContact O-N 2.63Å; R324-Q327 VanDerWaalsContact C-OE1 3.26Å; R324-Q327 VanDerWaalsContact CA-OE1 3.26Å; R324-Q327 HydrophobicContact CB-CB 4.19Å; R324-Q327 HydrophobicContact CB-CG 4.48Å; R324-Q327 VanDerWaalsContact CB-OE1 3.31Å; R324-Q327 PolarHBondContact O-N 2.83Å; R324-Q327 PolarHBondContact O-OE1 3.37Å; R324-T328 PolarHBondContact O-N 2.92Å; R324-T328 PolarHBondContact O-OG1 3.31Å; R324-T328 VanDerWaalsContact O-OG1 3.07Å
325	W	98.6	Very high	95.9	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-65.6	-43.1	-171.2	-171.5	-111.4	0	0	0	113.1	L63 A147 G148 F149 Y228 V323 Q327 T328 L329 L353	L63-W325 HydrophobicContact CD1-CZ2 4.28Å; L63-W325 HydrophobicContact CD2-CH2 4.17Å; A147-W325 HydrophobicContact CB-CH2 4.26Å; A147-W325 HydrophobicContact CB-CZ3 4.09Å; G148-W325 VanDerWaalsContact C-CZ3 3.43Å; G148-W325 WeakPolarHBondContact O-CZ3 3.44Å; F149-W325 HydrophobicContact CB-CD2 4.45Å; F149-W325 HydrophobicContact CB-CE3 4.27Å; F149-W325 HydrophobicContact CB-CZ3 4.34Å; F149-W325 HydrophobicContact CD2-CB 3.81Å; F149-W325 AromaticContact CD2-CD2 3.74Å; F149-W325 HydrophobicContact CD2-CD2 3.74Å; F149-W325 HydrophobicContact CD2-CE3 4.09Å; F149-W325 AromaticContact CD2-CG 3.6Å; F149-W325 HydrophobicContact CD2-CG 3.6Å; F149-W325 HydrophobicContact CE2-CB 3.85Å; F149-W325 HydrophobicContact CE2-CG 4.03Å; Y228-W325 CarbonylContact O-C 3.56Å; Y228-W325 WeakPolarHBondContact O-CA 3.35Å; Y228-W325 VanDerWaalsContact O-CB 3.22Å; Y228-W325 WeakPolarHBondContact O-CB 3.17Å; Y228-W325 PolarHBondContact O-N 3.08Å; Y228-W325 VanDerWaalsContact O-N 3.08Å; V323-W325 HydrophobicContact CG1-CB 4.23Å; V323-W325 PolarHBondContact O-N 3.34Å; W325-Q327 VanDerWaalsContact C-N 3.28Å; W325-Q327 PolarHBondContact O-N 2.92Å; W325-T328 HydrophobicContact CE3-CG2 4.21Å; W325-T328 HydrophobicContact CZ3-CG2 4.11Å; W325-T328 CarbonylContact O-C 3.59Å; W325-T328 WeakPolarHBondContact O-CB 3.25Å; W325-T328 PolarHBondContact O-N 3.32Å; W325-T328 VanDerWaalsContact O-N 3.13Å; W325-L329 HydrophobicContact CZ2-CD2 4.05Å; W325-L329 WeakPolarHBondContact O-CG 3.46Å; W325-L329 PolarHBondContact O-N 3.01Å; W325-L353 HydrophobicContact CH2-CD1 4.14Å; W325-L353 HydrophobicContact CH2-CD2 4.46Å; W325-L353 HydrophobicContact CZ2-CB 4.22Å; W325-L353 HydrophobicContact CZ2-CD1 3.9Å; W325-L353 HydrophobicContact CZ2-CD2 3.75Å; W325-L353 HydrophobicContact CZ2-CG 4.18Å
326	E	98	Very high	95.1	Very high	22 Å²	22	34.9 Å²	34.9	10%	0.103	16%	0.164	C	C	.	.	H	α-helix	trans	-51.8	-48.8	172.3	176.1	-177.5	-167.2	0	0	111	Y228 L329 Y330	Y228-E326 PolarHBondContact O-N 3.32Å; E326-L329 PolarHBondContact O-N 2.62Å; E326-Y330 HydrophobicContact CG-CD2 4Å; E326-Y330 HydrophobicContact CG-CE2 3.56Å; E326-Y330 WeakPolarHBondContact O-CD2 3.45Å; E326-Y330 PolarHBondContact O-N 3.31Å
327	Q	97.6	Very high	94.3	Very high	61 Å²	61	41.3 Å²	41.3	29%	0.285	20%	0.197	S	C	.	.	H	α-helix	trans	-68.8	-37.2	179.6	-62.3	75.1	17.5	0	0	111.8	Y228 V302 R324 W325 L329 Y330 A331	Y228-Q327 VanDerWaalsContact CB-OE1 3.29Å; V302-Q327 HydrophobicContact CG1-CB 4.45Å; V302-Q327 HydrophobicContact CG2-CB 3.75Å; R324-Q327 VanDerWaalsContact C-OE1 3.26Å; R324-Q327 VanDerWaalsContact CA-OE1 3.26Å; R324-Q327 HydrophobicContact CB-CB 4.19Å; R324-Q327 HydrophobicContact CB-CG 4.48Å; R324-Q327 VanDerWaalsContact CB-OE1 3.31Å; R324-Q327 PolarHBondContact O-N 2.83Å; R324-Q327 PolarHBondContact O-OE1 3.37Å; W325-Q327 VanDerWaalsContact C-N 3.28Å; W325-Q327 PolarHBondContact O-N 2.92Å; Q327-L329 VanDerWaalsContact C-N 3.33Å; Q327-Y330 PolarHBondContact O-N 3Å; Q327-A331 WeakPolarHBondContact O-CB 3.28Å; Q327-A331 PolarHBondContact O-N 3.47Å
328	T	97	Very high	93.5	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.006	23%	0.226	C	C	.	.	H	α-helix	trans	-59.4	-44.3	171	-62.5	0	0	0	0	110.9	A147 I297 R324 W325 A331 L332	A147-T328 HydrophobicContact CB-CG2 3.81Å; I297-T328 HydrophobicContact CB-CG2 4.34Å; I297-T328 HydrophobicContact CG2-CG2 4.07Å; R324-T328 PolarHBondContact O-N 2.92Å; R324-T328 PolarHBondContact O-OG1 3.31Å; R324-T328 VanDerWaalsContact O-OG1 3.07Å; W325-T328 HydrophobicContact CE3-CG2 4.21Å; W325-T328 HydrophobicContact CZ3-CG2 4.11Å; W325-T328 CarbonylContact O-C 3.59Å; W325-T328 WeakPolarHBondContact O-CB 3.25Å; W325-T328 PolarHBondContact O-N 3.32Å; W325-T328 VanDerWaalsContact O-N 3.13Å; T328-A331 PolarHBondContact O-N 3.38Å; T328-L332 HydrophobicContact CG2-CD1 3.94Å; T328-L332 HydrophobicContact CG2-CG 4.38Å; T328-L332 WeakPolarHBondContact O-CG 3.49Å; T328-L332 PolarHBondContact O-N 3.16Å
329	L	96.3	Very high	92.8	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-62.7	-44.8	176.6	-67.5	177.4	0	0	0	111.3	W325 E326 Q327 A331 L332 Y333 M356 L357 V360	W325-L329 HydrophobicContact CZ2-CD2 4.05Å; W325-L329 WeakPolarHBondContact O-CG 3.46Å; W325-L329 PolarHBondContact O-N 3.01Å; E326-L329 PolarHBondContact O-N 2.62Å; Q327-L329 VanDerWaalsContact C-N 3.33Å; L329-A331 VanDerWaalsContact C-N 3.32Å; L329-A331 PolarHBondContact O-N 3.26Å; L329-L332 PolarHBondContact O-N 2.91Å; L329-Y333 HydrophobicContact CB-CD2 4.4Å; L329-Y333 HydrophobicContact CD2-CD2 4.14Å; L329-Y333 HydrophobicContact CD2-CE2 3.82Å; L329-Y333 WeakPolarHBondContact O-CB 3.26Å; L329-Y333 VanDerWaalsContact O-CD2 3.22Å; L329-Y333 WeakPolarHBondContact O-CD2 3.39Å; L329-Y333 PolarHBondContact O-N 3.15Å; L329-M356 HydrophobicContact CD1-CB 4.35Å; L329-L357 HydrophobicContact CD2-CD1 4.29Å; L329-V360 HydrophobicContact CB-CB 4.43Å; L329-V360 HydrophobicContact CB-CG1 4.09Å; L329-V360 HydrophobicContact CB-CG2 4.2Å; L329-V360 HydrophobicContact CD1-CB 4.27Å; L329-V360 HydrophobicContact CD1-CG2 3.6Å
330	Y	94.2	Very high	92.3	Very high	95 Å²	95	48.2 Å²	48.2	37%	0.373	24%	0.236	S	C	.	.	H	α-helix	trans	-58.5	-45.1	173.2	-73	-55.9	0	0	0	112	P231 E326 Q327 L332 Y333 D334 V360	P231-Y330 WeakPolarHBondContact CG-OH 3.4Å; E326-Y330 HydrophobicContact CG-CD2 4Å; E326-Y330 HydrophobicContact CG-CE2 3.56Å; E326-Y330 WeakPolarHBondContact O-CD2 3.45Å; E326-Y330 PolarHBondContact O-N 3.31Å; Q327-Y330 PolarHBondContact O-N 3Å; Y330-L332 PolarHBondContact O-N 3.42Å; Y330-Y333 PolarHBondContact O-N 3.42Å; Y330-D334 WeakPolarHBondContact O-CB 3.48Å; Y330-D334 PolarHBondContact O-N 3.08Å; Y330-V360 HydrophobicContact CD1-CG1 3.95Å; Y330-V360 HydrophobicContact CE1-CG1 3.67Å
331	A	90.3	Very high	91.9	Very high	6 Å²	6	48.6 Å²	48.6	5%	0.05	24%	0.237	C	C	.	.	H	α-helix	trans	-66.4	-24.4	-178.7	0	0	0	0	0	114.1	L46 Y47 V302 Q327 T328 L329	L46-A331 HydrophobicContact CD1-CB 4.11Å; Y47-A331 HydrophobicContact CE2-CB 3.61Å; Y47-A331 WeakPolarHBondContact OH-CB 3.4Å; V302-A331 HydrophobicContact CG1-CB 3.65Å; Q327-A331 WeakPolarHBondContact O-CB 3.28Å; Q327-A331 PolarHBondContact O-N 3.47Å; T328-A331 PolarHBondContact O-N 3.38Å; L329-A331 VanDerWaalsContact C-N 3.32Å; L329-A331 PolarHBondContact O-N 3.26Å
332	L	92	Very high	91.7	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-87.4	-33.3	176.3	-67.9	175.5	0	0	0	113.3	I61 L63 V145 A147 I297 T328 L329 Y330 R335	I61-L332 HydrophobicContact CD1-CB 4.3Å; I61-L332 HydrophobicContact CG2-CD1 4.35Å; L63-L332 HydrophobicContact CD2-CD1 3.92Å; V145-L332 HydrophobicContact CB-CD2 4.17Å; V145-L332 HydrophobicContact CG1-CD2 3.55Å; V145-L332 HydrophobicContact CG2-CD2 3.43Å; V145-L332 VanDerWaalsContact CG2-CD2 3.43Å; A147-L332 HydrophobicContact CB-CD1 3.99Å; I297-L332 HydrophobicContact CG1-CD2 3.9Å; T328-L332 HydrophobicContact CG2-CD1 3.94Å; T328-L332 HydrophobicContact CG2-CG 4.38Å; T328-L332 WeakPolarHBondContact O-CG 3.49Å; T328-L332 PolarHBondContact O-N 3.16Å; L329-L332 PolarHBondContact O-N 2.91Å; Y330-L332 PolarHBondContact O-N 3.42Å; L332-R335 PolarHBondContact O-NH2 3.3Å
333	Y	92.4	Very high	91.5	Very high	6 Å²	6	45.5 Å²	45.5	2%	0.024	22%	0.222	C	C	.	.	H	α-helix	trans	-116.4	-17.7	-165.7	-65.4	-71.2	0	0	0	114.7	I61 L329 Y330 R335 F341 T344 L357 A364	I61-Y333 HydrophobicContact CD1-CD1 4.4Å; I61-Y333 HydrophobicContact CD1-CE1 3.8Å; L329-Y333 HydrophobicContact CB-CD2 4.4Å; L329-Y333 HydrophobicContact CD2-CD2 4.14Å; L329-Y333 HydrophobicContact CD2-CE2 3.82Å; L329-Y333 WeakPolarHBondContact O-CB 3.26Å; L329-Y333 VanDerWaalsContact O-CD2 3.22Å; L329-Y333 WeakPolarHBondContact O-CD2 3.39Å; L329-Y333 PolarHBondContact O-N 3.15Å; Y330-Y333 PolarHBondContact O-N 3.42Å; Y333-R335 PolarHBondContact O-N 2.79Å; Y333-R335 PolarHBondContact O-NE 3.05Å; Y333-F341 HydrophobicContact CD1-CD1 4.04Å; Y333-F341 HydrophobicContact CD1-CE1 4.3Å; Y333-F341 VanDerWaalsContact O-CE1 3.29Å; Y333-F341 WeakPolarHBondContact O-CE1 3.07Å; Y333-T344 VanDerWaalsContact CE1-OG1 3.3Å; Y333-T344 WeakPolarHBondContact CE1-OG1 3.43Å; Y333-T344 WeakPolarHBondContact OH-CG2 3.48Å; Y333-T344 PolarHBondContact OH-OG1 3.26Å; Y333-L357 HydrophobicContact CD1-CD1 4.33Å; Y333-L357 HydrophobicContact CD2-CD1 3.46Å; Y333-L357 VanDerWaalsContact CD2-CD1 3.46Å; Y333-L357 HydrophobicContact CE1-CD1 4.33Å; Y333-L357 HydrophobicContact CE1-CD2 4.33Å; Y333-L357 HydrophobicContact CE2-CD1 3.51Å; Y333-L357 HydrophobicContact CE2-CD2 4.25Å; Y333-L357 HydrophobicContact CG-CD1 3.92Å; Y333-A364 HydrophobicContact CD1-CB 3.57Å; Y333-A364 HydrophobicContact CE1-CB 4.08Å; Y333-A364 HydrophobicContact CG-CB 4.01Å
334	D	86.6	Confident	91.5	Very high	130 Å²	130	45.4 Å²	45.4	70%	0.695	22%	0.221	S	C	*	.			trans	-65.6	124	176.3	-169.6	37	0	0	0	111	Y330	Y330-D334 WeakPolarHBondContact O-CB 3.48Å; Y330-D334 PolarHBondContact O-N 3.08Å
335	R	85	Confident	91.5	Very high	30 Å²	30	40.6 Å²	40.6	11%	0.113	20%	0.203	C	C	.	.			trans	-163	158.6	-172.3	66.7	-167.8	67.5	-147.8	-5	111.3	L332 Y333 V339 P340 F341	L332-R335 PolarHBondContact O-NH2 3.3Å; Y333-R335 PolarHBondContact O-N 2.79Å; Y333-R335 PolarHBondContact O-NE 3.05Å; R335-V339 WeakPolarHBondContact CD-O 3.28Å; R335-P340 PolarHBondContact NH1-O 3.33Å; R335-F341 HydrophobicContact CG-CE1 4.09Å; R335-F341 HydrophobicContact CG-CZ 3.96Å; R335-F341 VanDerWaalsContact NE-CD1 3.31Å
336	P	83.1	Confident	91.5	Very high	73 Å²	73	40.6 Å²	40.6	47%	0.474	20%	0.203	S	C	.	.			trans	-56.6	152.9	173.1	-22.6	33.4	0	0	0	112.8	D338 V339	P336-D338 VanDerWaalsContact CB-OD1 3.29Å; P336-D338 WeakPolarHBondContact CB-OD1 3.5Å; P336-D338 PolarHBondContact O-N 3.07Å; P336-V339 HydrophobicContact CB-CG2 3.98Å; P336-V339 HydrophobicContact CG-CG2 4.03Å; P336-V339 PolarHBondContact O-N 3.31Å; P336-V339 VanDerWaalsContact O-N 3.14Å
337	L	81	Confident	91.5	Very high	143 Å²	143	39.5 Å²	39.5	75%	0.749	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	-29	-171.5	-71.5	174.5	0	0	0	114.1	R363	L337-R363 PolarHBondContact O-NH1 3.43Å; L337-R363 PolarHBondContact O-NH2 2.82Å
338	D	82.3	Confident	91.4	Very high	132 Å²	132	36.6 Å²	36.6	71%	0.706	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89	-9.6	-178.5	62.9	-44.7	0	0	0	113.4	P336 P340	P336-D338 VanDerWaalsContact CB-OD1 3.29Å; P336-D338 WeakPolarHBondContact CB-OD1 3.5Å; P336-D338 PolarHBondContact O-N 3.07Å; D338-P340 VanDerWaalsContact O-CD 3.29Å; D338-P340 WeakPolarHBondContact O-CD 3.3Å
339	V	83.1	Confident	91.4	Very high	11 Å²	11	36.6 Å²	36.6	7%	0.067	18%	0.184	C	C	.	.	S	Bend	trans	-87.2	118.8	177.1	179	0	0	0	0	109.7	Y42 P56 R335 P336	Y42-V339 HydrophobicContact CD1-CB 4.45Å; Y42-V339 HydrophobicContact CD1-CG1 3.91Å; Y42-V339 HydrophobicContact CD1-CG2 3.87Å; Y42-V339 HydrophobicContact CE1-CG2 4.29Å; P56-V339 HydrophobicContact CG-CG1 4.31Å; R335-V339 WeakPolarHBondContact CD-O 3.28Å; P336-V339 HydrophobicContact CB-CG2 3.98Å; P336-V339 HydrophobicContact CG-CG2 4.03Å; P336-V339 PolarHBondContact O-N 3.31Å; P336-V339 VanDerWaalsContact O-N 3.14Å
340	P	87.4	Confident	91.3	Very high	24 Å²	24	37.7 Å²	37.7	16%	0.156	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-66.8	164.7	-179.9	9.3	-12.8	0	0	0	114.8	P56 H57 R335 D338	P56-P340 HydrophobicContact CB-CB 4Å; P56-P340 HydrophobicContact CB-CG 3.9Å; P56-P340 VanDerWaalsContact CB-O 3.27Å; P56-P340 WeakPolarHBondContact CB-O 3.48Å; P56-P340 HydrophobicContact CG-CB 4.4Å; P56-P340 HydrophobicContact CG-CG 3.78Å; H57-P340 WeakPolarHBondContact CE1-CB 3.49Å; H57-P340 WeakPolarHBondContact NE2-CB 3.38Å; H57-P340 WeakPolarHBondContact NE2-CG 3.48Å; R335-P340 PolarHBondContact NH1-O 3.33Å; D338-P340 VanDerWaalsContact O-CD 3.29Å; D338-P340 WeakPolarHBondContact O-CD 3.3Å
341	F	91.4	Very high	91.5	Very high	19 Å²	19	40 Å²	40	8%	0.083	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-92.9	141.5	-179.8	-73.3	-87.7	0	0	0	111.6	Y333 R335 R363 A364	Y333-F341 HydrophobicContact CD1-CD1 4.04Å; Y333-F341 HydrophobicContact CD1-CE1 4.3Å; Y333-F341 VanDerWaalsContact O-CE1 3.29Å; Y333-F341 WeakPolarHBondContact O-CE1 3.07Å; R335-F341 HydrophobicContact CG-CE1 4.09Å; R335-F341 HydrophobicContact CG-CZ 3.96Å; R335-F341 VanDerWaalsContact NE-CD1 3.31Å; F341-R363 HydrophobicContact CD2-CB 4.07Å; F341-R363 HydrophobicContact CE2-CB 3.52Å; F341-R363 HydrophobicContact CZ-CB 4.14Å; F341-A364 HydrophobicContact CD1-CB 3.52Å; F341-A364 HydrophobicContact CE1-CB 3.57Å; F341-A364 HydrophobicContact CG-CB 4.2Å; F341-A364 HydrophobicContact CZ-CB 4.31Å
342	P	92.6	Very high	91.7	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.013	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-62.8	163.5	166.6	29.1	-35.7	0	0	0	110.8	P56 T59 I61 T344 S367	P56-P342 WeakPolarHBondContact O-CA 3.41Å; T59-P342 WeakPolarHBondContact O-CA 3.29Å; T59-P342 WeakPolarHBondContact O-CB 3.34Å; T59-P342 WeakPolarHBondContact OG1-CB 3.34Å; I61-P342 HydrophobicContact CD1-CG 3.52Å; I61-P342 HydrophobicContact CG1-CB 4.14Å; I61-P342 HydrophobicContact CG1-CG 3.61Å; P342-T344 PolarHBondContact O-N 3.06Å; P342-S367 WeakPolarHBondContact O-CB 3.22Å
343	R	95.9	Very high	92.1	Very high	95 Å²	95	42.4 Å²	42.4	36%	0.358	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	130.4	163.8	-62.8	-60.9	-56.9	-168.6	0.9	109.3	T59 S60 I61 L139 I345 S367	T59-R343 PolarHBondContact O-N 2.89Å; S60-R343 CarbonylContact C-O 3.59Å; S60-R343 WeakPolarHBondContact CA-O 3.4Å; I61-R343 PolarHBondContact N-O 2.78Å; L139-R343 HydrophobicContact CD2-CB 3.72Å; L139-R343 HydrophobicContact CD2-CG 3.92Å; R343-I345 HydrophobicContact CB-CD1 4.46Å; R343-S367 PolarHBondContact NE-O 3.33Å
344	T	98	Very high	92.3	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	122.5	173.1	-60.3	0	0	0	0	109.7	I61 L63 Y333 P342 L357 S367 Y368 S369	I61-T344 CarbonylContact O-C 3.26Å; I61-T344 WeakPolarHBondContact O-CA 3.47Å; L63-T344 HydrophobicContact CD1-CG2 3.68Å; L63-T344 HydrophobicContact CG-CG2 4.05Å; Y333-T344 VanDerWaalsContact CE1-OG1 3.3Å; Y333-T344 WeakPolarHBondContact CE1-OG1 3.43Å; Y333-T344 WeakPolarHBondContact OH-CG2 3.48Å; Y333-T344 PolarHBondContact OH-OG1 3.26Å; P342-T344 PolarHBondContact O-N 3.06Å; T344-L357 HydrophobicContact CG2-CD2 3.92Å; T344-S367 PolarHBondContact N-O 2.86Å; T344-S367 VanDerWaalsContact N-O 3.08Å; T344-Y368 HydrophobicContact CG2-CD2 3.89Å; T344-Y368 CarbonylContact O-C 3.48Å; T344-Y368 WeakPolarHBondContact O-CA 3.35Å; T344-S369 PolarHBondContact O-N 3.02Å
345	I	98.4	Very high	92.9	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.01	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	118.9	178.9	-45.1	-59	0	0	0	109.9	I61 I62 L63 L132 L139 R343 S369 V371	I61-I345 PolarHBondContact O-N 3.2Å; I62-I345 CarbonylContact C-O 3.58Å; I62-I345 WeakPolarHBondContact CA-O 3.05Å; I62-I345 HydrophobicContact CG1-CB 4.29Å; L63-I345 PolarHBondContact N-O 3.22Å; L132-I345 HydrophobicContact CD1-CG2 4.35Å; L132-I345 HydrophobicContact CD2-CG2 3.81Å; L139-I345 HydrophobicContact CD1-CD1 3.73Å; L139-I345 HydrophobicContact CD1-CG1 4.18Å; L139-I345 HydrophobicContact CD2-CD1 4.22Å; L139-I345 HydrophobicContact CD2-CG1 4.45Å; R343-I345 HydrophobicContact CB-CD1 4.46Å; I345-S369 CarbonylContact C-O 3.54Å; I345-S369 WeakPolarHBondContact CA-O 3.45Å; I345-S369 WeakPolarHBondContact CD1-OG 3.48Å; I345-V371 HydrophobicContact CG2-CG2 3.94Å
346	E	98.5	Very high	93.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	114.4	166.4	-178.4	166.1	-178.1	0	0	109.5	L63 Q352 L353 G354 Y368 S369 S370 V371	L63-E346 WeakPolarHBondContact O-CA 3.42Å; E346-Q352 PolarHBondContact OE1-N 3.07Å; E346-L353 HydrophobicContact CG-CB 4.31Å; E346-L353 HydrophobicContact CG-CD1 4.33Å; E346-L353 HydrophobicContact CG-CG 4.38Å; E346-L353 WeakPolarHBondContact OE1-CG 3.41Å; E346-L353 PolarHBondContact OE1-N 3.45Å; E346-L353 VanDerWaalsContact OE1-N 3.08Å; E346-L353 WeakPolarHBondContact OE2-CB 2.98Å; E346-L353 PolarHBondContact OE2-N 3.4Å; E346-G354 PolarHBondContact OE2-N 3.04Å; E346-Y368 HydrophobicContact CB-CE2 3.63Å; E346-Y368 WeakPolarHBondContact OE2-CE2 3.39Å; E346-Y368 PolarHBondContact OE2-OH 3.37Å; E346-S369 PolarHBondContact N-O 3.06Å; E346-S370 WeakPolarHBondContact O-CA 3.26Å; E346-V371 PolarHBondContact O-N 3.14Å; E346-V371 VanDerWaalsContact O-N 3.16Å
347	S	98.1	Very high	94.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.177	C	C	.	.			trans	-105	91.6	-178.2	-171.4	0	0	0	0	110.4	L63 P65 S125 A128 L129	L63-S347 PolarHBondContact O-N 3.36Å; P65-S347 VanDerWaalsContact CD-O 3.25Å; P65-S347 WeakPolarHBondContact CD-O 3.47Å; S125-S347 WeakPolarHBondContact CA-O 3.29Å; S125-S347 WeakPolarHBondContact CB-O 3.44Å; S125-S347 PolarHBondContact O-OG 2.62Å; S125-S347 PolarHBondContact OG-O 2.95Å; A128-S347 WeakPolarHBondContact CB-OG 3.13Å; L129-S347 VanDerWaalsContact CD2-OG 3.3Å; L129-S347 WeakPolarHBondContact CD2-OG 3.19Å; L129-S347 VanDerWaalsContact CG-OG 3.32Å; L129-S347 WeakPolarHBondContact CG-OG 3.4Å; L129-S347 PolarHBondContact N-OG 2.87Å
348	G	96.6	Very high	95.1	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.164	C	C	.	.	S	Bend	trans	151.8	-174.8	176.9	0	0	0	0	0	112.1	M373	G348-M373 WeakPolarHBondContact O-CE 3.37Å
349	P	96.3	Very high	95.8	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.157	C	C	.	.	S	Bend	trans	-71.3	149.7	-174.1	30.1	-31.1	0	0	0	110.8	S69 F71 M74 T121 I124	S69-P349 WeakPolarHBondContact CB-O 3.36Å; S69-P349 CarbonylContact O-C 3.24Å; S69-P349 WeakPolarHBondContact O-CB 3.47Å; S69-P349 PolarHBondContact OG-O 3.15Å; F71-P349 HydrophobicContact CD1-CB 4.21Å; F71-P349 HydrophobicContact CE1-CB 3.83Å; M74-P349 HydrophobicContact CB-CB 4.31Å; M74-P349 HydrophobicContact SD-CB 3.69Å; M74-P349 HydrophobicContact SD-CG 3.88Å; T121-P349 HydrophobicContact CG2-CG 4.02Å; I124-P349 HydrophobicContact CB-CG 4.47Å; I124-P349 HydrophobicContact CG2-CB 4.13Å; I124-P349 HydrophobicContact CG2-CG 4.09Å
350	G	94.9	Very high	96.4	Very high	24 Å²	24	33.3 Å²	33.3	25%	0.247	16%	0.161	C	C	.	.	S	Bend	trans	79.8	-174.4	178	0	0	0	0	0	113.7
351	R	96.9	Very high	96.8	Very high	143 Å²	143	33.4 Å²	33.4	54%	0.54	16%	0.162	S	C	.	.	S	Bend	trans	-137.8	26.9	-179.9	-59.4	-176.3	-177.3	-117.9	-3.4	111.5	A355 S370 D372	R351-A355 PolarHBondContact O-N 3.13Å; R351-A355 VanDerWaalsContact O-N 3.09Å; R351-S370 PolarHBondContact NE-OG 2.87Å; R351-S370 PolarHBondContact NH1-OG 3.09Å; R351-S370 PolarHBondContact NH2-OG 2.8Å; R351-D372 IonicContact NH2-OD1 3.52Å; R351-D372 PolarHBondContact NH2-OD1 3.14Å; R351-D372 VanDerWaalsContact NH2-OD1 3.16Å
352	Q	96.2	Very high	97	Very high	56 Å²	56	38.3 Å²	38.3	26%	0.262	18%	0.18	S	C	.	.	H	α-helix	trans	-73.3	-33.4	-169.5	64.2	174.6	-4.1	0	0	111.7	G66 E346 A355 M356	G66-Q352 PolarHBondContact O-NE2 2.96Å; E346-Q352 PolarHBondContact OE1-N 3.07Å; Q352-A355 PolarHBondContact O-N 3.49Å; Q352-M356 HydrophobicContact CG-CE 4.47Å; Q352-M356 WeakPolarHBondContact O-CE 3.36Å; Q352-M356 WeakPolarHBondContact O-CG 3.45Å; Q352-M356 PolarHBondContact O-N 2.9Å
353	L	98.5	Very high	97.1	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-70.3	-39.7	178.7	-52.5	-173.2	0	0	0	110.5	L63 F64 P65 F149 W325 E346 M356 L357	L63-L353 HydrophobicContact CB-CD1 3.71Å; L63-L353 HydrophobicContact CD1-CB 4.5Å; F64-L353 VanDerWaalsContact C-CD1 3.49Å; P65-L353 HydrophobicContact CB-CD1 4.24Å; P65-L353 HydrophobicContact CB-CG 4.26Å; F149-L353 HydrophobicContact CB-CD2 3.72Å; F149-L353 HydrophobicContact CG-CD2 4.28Å; W325-L353 HydrophobicContact CH2-CD1 4.14Å; W325-L353 HydrophobicContact CH2-CD2 4.46Å; W325-L353 HydrophobicContact CZ2-CB 4.22Å; W325-L353 HydrophobicContact CZ2-CD1 3.9Å; W325-L353 HydrophobicContact CZ2-CD2 3.75Å; W325-L353 HydrophobicContact CZ2-CG 4.18Å; E346-L353 HydrophobicContact CG-CB 4.31Å; E346-L353 HydrophobicContact CG-CD1 4.33Å; E346-L353 HydrophobicContact CG-CG 4.38Å; E346-L353 WeakPolarHBondContact OE1-CG 3.41Å; E346-L353 PolarHBondContact OE1-N 3.45Å; E346-L353 VanDerWaalsContact OE1-N 3.08Å; E346-L353 WeakPolarHBondContact OE2-CB 2.98Å; E346-L353 PolarHBondContact OE2-N 3.4Å; L353-M356 HydrophobicContact CD2-CE 3.57Å; L353-M356 PolarHBondContact O-N 3.18Å; L353-L357 WeakPolarHBondContact O-CB 3.37Å; L353-L357 PolarHBondContact O-N 2.83Å
354	G	98.2	Very high	97.1	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-59.1	-45.4	170.9	0	0	0	0	0	113	E346 M356 L357 R358 F365 Y368	E346-G354 PolarHBondContact OE2-N 3.04Å; G354-M356 VanDerWaalsContact C-N 3.32Å; G354-M356 PolarHBondContact O-N 2.9Å; G354-L357 PolarHBondContact O-N 3.34Å; G354-R358 PolarHBondContact O-N 3.27Å; G354-F365 WeakPolarHBondContact O-CD2 3.49Å; G354-F365 WeakPolarHBondContact O-CE2 3.47Å; G354-Y368 VanDerWaalsContact CA-CZ 3.41Å
355	A	98.1	Very high	97.1	Very high	55 Å²	55	41.3 Å²	41.3	46%	0.455	19%	0.193	S	C	.	.	H	α-helix	trans	-59.5	-42.5	175.7	0	0	0	0	0	112	R351 Q352 R358 M359	R351-A355 PolarHBondContact O-N 3.13Å; R351-A355 VanDerWaalsContact O-N 3.09Å; Q352-A355 PolarHBondContact O-N 3.49Å; A355-R358 WeakPolarHBondContact O-CB 3.27Å; A355-R358 PolarHBondContact O-N 3.45Å; A355-M359 WeakPolarHBondContact O-CG 3.41Å; A355-M359 PolarHBondContact O-N 3.48Å
356	M	98.4	Very high	97	Very high	14 Å²	14	45.9 Å²	45.9	7%	0.069	22%	0.217	C	C	.	.	H	α-helix	trans	-67.9	-39.8	175.3	-67.6	-171.4	-85.2	0	0	112.4	F149 L229 Y230 L329 Q352 L353 G354 R358 M359 V360	F149-M356 HydrophobicContact CD2-CE 4.4Å; L229-M356 HydrophobicContact CB-SD 3.85Å; L229-M356 HydrophobicContact CD2-SD 3.93Å; L229-M356 HydrophobicContact CG-SD 4.33Å; Y230-M356 HydrophobicContact CD1-CB 3.98Å; Y230-M356 HydrophobicContact CD1-CG 3.64Å; Y230-M356 HydrophobicContact CD1-SD 4.32Å; Y230-M356 HydrophobicContact CE1-CG 3.87Å; L329-M356 HydrophobicContact CD1-CB 4.35Å; Q352-M356 HydrophobicContact CG-CE 4.47Å; Q352-M356 WeakPolarHBondContact O-CE 3.36Å; Q352-M356 WeakPolarHBondContact O-CG 3.45Å; Q352-M356 PolarHBondContact O-N 2.9Å; L353-M356 HydrophobicContact CD2-CE 3.57Å; L353-M356 PolarHBondContact O-N 3.18Å; G354-M356 VanDerWaalsContact C-N 3.32Å; G354-M356 PolarHBondContact O-N 2.9Å; M356-R358 VanDerWaalsContact C-N 3.31Å; M356-R358 PolarHBondContact O-N 3.31Å; M356-M359 WeakPolarHBondContact O-CB 3.48Å; M356-M359 PolarHBondContact O-N 3.06Å; M356-M359 VanDerWaalsContact O-N 3.09Å; M356-V360 PolarHBondContact O-N 3.37Å
357	L	98.4	Very high	96.8	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-59.3	-42.6	174.8	177.4	59.6	0	0	0	111.2	L329 Y333 T344 L353 G354 M359 V360 S361 A364 F365	L329-L357 HydrophobicContact CD2-CD1 4.29Å; Y333-L357 HydrophobicContact CD1-CD1 4.33Å; Y333-L357 HydrophobicContact CD2-CD1 3.46Å; Y333-L357 VanDerWaalsContact CD2-CD1 3.46Å; Y333-L357 HydrophobicContact CE1-CD1 4.33Å; Y333-L357 HydrophobicContact CE1-CD2 4.33Å; Y333-L357 HydrophobicContact CE2-CD1 3.51Å; Y333-L357 HydrophobicContact CE2-CD2 4.25Å; Y333-L357 HydrophobicContact CG-CD1 3.92Å; T344-L357 HydrophobicContact CG2-CD2 3.92Å; L353-L357 WeakPolarHBondContact O-CB 3.37Å; L353-L357 PolarHBondContact O-N 2.83Å; G354-L357 PolarHBondContact O-N 3.34Å; L357-M359 PolarHBondContact O-N 3.22Å; L357-V360 PolarHBondContact O-N 3.46Å; L357-S361 CarbonylContact O-C 3.56Å; L357-S361 PolarHBondContact O-N 3.08Å; L357-A364 HydrophobicContact CD1-CB 3.84Å; L357-A364 HydrophobicContact CD2-CB 4.31Å; L357-A364 HydrophobicContact CG-CB 4.26Å; L357-F365 HydrophobicContact CG-CB 4.34Å
358	R	98.3	Very high	96.8	Very high	129 Å²	129	48.3 Å²	48.3	49%	0.487	23%	0.229	S	C	.	.	H	α-helix	trans	-56.5	-36.3	175.4	-172.3	178.2	174.3	161.2	1.7	112.5	G354 A355 M356 V360 F365	G354-R358 PolarHBondContact O-N 3.27Å; A355-R358 WeakPolarHBondContact O-CB 3.27Å; A355-R358 PolarHBondContact O-N 3.45Å; M356-R358 VanDerWaalsContact C-N 3.31Å; M356-R358 PolarHBondContact O-N 3.31Å; R358-V360 VanDerWaalsContact C-N 3.35Å; R358-F365 HydrophobicContact CB-CB 4.04Å; R358-F365 HydrophobicContact CB-CD1 4.05Å; R358-F365 HydrophobicContact CB-CD2 3.65Å; R358-F365 HydrophobicContact CB-CE1 4.46Å; R358-F365 HydrophobicContact CB-CE2 4.09Å; R358-F365 HydrophobicContact CB-CG 3.61Å; R358-F365 HydrophobicContact CB-CZ 4.47Å; R358-F365 HydrophobicContact CG-CB 4.41Å; R358-F365 HydrophobicContact CG-CD1 3.87Å; R358-F365 HydrophobicContact CG-CD2 4.38Å; R358-F365 HydrophobicContact CG-CE1 4.23Å; R358-F365 HydrophobicContact CG-CG 3.93Å
359	M	97.6	Very high	96.9	Very high	110 Å²	110	50 Å²	50	54%	0.542	24%	0.241	S	C	.	.	H	α-helix	trans	-75.1	-23.6	178.3	-60.1	-51.7	-60.2	0	0	113.1	Y230 A355 M356 L357	Y230-M359 HydrophobicContact CD1-CB 4.25Å; Y230-M359 HydrophobicContact CD1-CG 4.39Å; Y230-M359 HydrophobicContact CD2-CB 3.53Å; Y230-M359 HydrophobicContact CD2-CG 3.88Å; Y230-M359 HydrophobicContact CE1-CG 4.38Å; Y230-M359 HydrophobicContact CE2-CB 4.05Å; Y230-M359 HydrophobicContact CE2-CE 4.31Å; Y230-M359 HydrophobicContact CE2-CG 3.86Å; Y230-M359 HydrophobicContact CG-CB 3.64Å; Y230-M359 HydrophobicContact CG-CG 4.15Å; A355-M359 WeakPolarHBondContact O-CG 3.41Å; A355-M359 PolarHBondContact O-N 3.48Å; M356-M359 WeakPolarHBondContact O-CB 3.48Å; M356-M359 PolarHBondContact O-N 3.06Å; M356-M359 VanDerWaalsContact O-N 3.09Å; L357-M359 PolarHBondContact O-N 3.22Å
360	V	96.3	Very high	96.9	Very high	26 Å²	26	50.7 Å²	50.7	16%	0.158	25%	0.246	C	C	.	.	H	α-helix	trans	-90.1	-46.5	177.6	175.2	0	0	0	0	111.8	L329 Y330 M356 L357 R358	L329-V360 HydrophobicContact CB-CB 4.43Å; L329-V360 HydrophobicContact CB-CG1 4.09Å; L329-V360 HydrophobicContact CB-CG2 4.2Å; L329-V360 HydrophobicContact CD1-CB 4.27Å; L329-V360 HydrophobicContact CD1-CG2 3.6Å; Y330-V360 HydrophobicContact CD1-CG1 3.95Å; Y330-V360 HydrophobicContact CE1-CG1 3.67Å; M356-V360 PolarHBondContact O-N 3.37Å; L357-V360 PolarHBondContact O-N 3.46Å; R358-V360 VanDerWaalsContact C-N 3.35Å
361	S	95.7	Very high	96.9	Very high	26 Å²	26	49.9 Å²	49.9	18%	0.182	24%	0.236	C	C	.	.			trans	-149.4	105.8	-178.4	176.8	0	0	0	0	110.4	L357 R363 A364 F365	L357-S361 CarbonylContact O-C 3.56Å; L357-S361 PolarHBondContact O-N 3.08Å; S361-R363 VanDerWaalsContact C-N 3.29Å; S361-R363 PolarHBondContact O-N 3.37Å; S361-A364 PolarHBondContact O-N 3.35Å; S361-A364 WeakPolarHBondContact OG-CB 3.44Å; S361-A364 PolarHBondContact OG-N 3.37Å; S361-A364 VanDerWaalsContact OG-N 3.17Å; S361-F365 PolarHBondContact O-N 2.97Å; S361-F365 VanDerWaalsContact O-N 3.08Å
362	R	95.5	Very high	96.4	Very high	122 Å²	122	47.3 Å²	47.3	46%	0.46	23%	0.233	S	C	.	.	H	α-helix	trans	-58.6	-42	173.9	178.9	57.8	174.6	179.1	-0	111.6	A364 F365 D366	R362-A364 PolarHBondContact O-N 3.05Å; R362-F365 WeakPolarHBondContact O-CB 3.48Å; R362-F365 PolarHBondContact O-N 3.43Å; R362-F365 VanDerWaalsContact O-N 3.16Å; R362-D366 IonicContact CZ-OD1 3.89Å; R362-D366 IonicContact NE-OD1 2.74Å; R362-D366 PolarHBondContact NE-OD1 3.05Å; R362-D366 VanDerWaalsContact O-CG 3.26Å; R362-D366 PolarHBondContact O-N 3.48Å
363	R	94.5	Very high	95.7	Very high	117 Å²	117	46 Å²	46	44%	0.442	23%	0.227	S	C	.	.	H	α-helix	trans	-63.2	-40	179.9	-67.2	-178.3	65.2	-169.6	-1.6	112.8	L337 F341 S361 D366	L337-R363 PolarHBondContact O-NH1 3.43Å; L337-R363 PolarHBondContact O-NH2 2.82Å; F341-R363 HydrophobicContact CD2-CB 4.07Å; F341-R363 HydrophobicContact CE2-CB 3.52Å; F341-R363 HydrophobicContact CZ-CB 4.14Å; S361-R363 VanDerWaalsContact C-N 3.29Å; S361-R363 PolarHBondContact O-N 3.37Å; R363-D366 PolarHBondContact O-N 3.49Å
364	A	95.4	Very high	95.6	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-66.6	-40.9	174.1	0	0	0	0	0	111.4	Y333 F341 L357 S361 R362 D366 S367	Y333-A364 HydrophobicContact CD1-CB 3.57Å; Y333-A364 HydrophobicContact CE1-CB 4.08Å; Y333-A364 HydrophobicContact CG-CB 4.01Å; F341-A364 HydrophobicContact CD1-CB 3.52Å; F341-A364 HydrophobicContact CE1-CB 3.57Å; F341-A364 HydrophobicContact CG-CB 4.2Å; F341-A364 HydrophobicContact CZ-CB 4.31Å; L357-A364 HydrophobicContact CD1-CB 3.84Å; L357-A364 HydrophobicContact CD2-CB 4.31Å; L357-A364 HydrophobicContact CG-CB 4.26Å; S361-A364 PolarHBondContact O-N 3.35Å; S361-A364 WeakPolarHBondContact OG-CB 3.44Å; S361-A364 PolarHBondContact OG-N 3.37Å; S361-A364 VanDerWaalsContact OG-N 3.17Å; R362-A364 PolarHBondContact O-N 3.05Å; A364-D366 VanDerWaalsContact C-N 3.25Å; A364-D366 PolarHBondContact O-N 3.26Å; A364-S367 PolarHBondContact O-N 2.91Å
365	F	98	Very high	95.5	Very high	44 Å²	44	50.8 Å²	50.8	19%	0.193	25%	0.251	C	S	.	.	H	α-helix	trans	-64.2	-26.3	178.2	177	-94	0	0	0	113.4	G354 L357 R358 S361 R362 S367 Y368	G354-F365 WeakPolarHBondContact O-CD2 3.49Å; G354-F365 WeakPolarHBondContact O-CE2 3.47Å; L357-F365 HydrophobicContact CG-CB 4.34Å; R358-F365 HydrophobicContact CB-CB 4.04Å; R358-F365 HydrophobicContact CB-CD1 4.05Å; R358-F365 HydrophobicContact CB-CD2 3.65Å; R358-F365 HydrophobicContact CB-CE1 4.46Å; R358-F365 HydrophobicContact CB-CE2 4.09Å; R358-F365 HydrophobicContact CB-CG 3.61Å; R358-F365 HydrophobicContact CB-CZ 4.47Å; R358-F365 HydrophobicContact CG-CB 4.41Å; R358-F365 HydrophobicContact CG-CD1 3.87Å; R358-F365 HydrophobicContact CG-CD2 4.38Å; R358-F365 HydrophobicContact CG-CE1 4.23Å; R358-F365 HydrophobicContact CG-CG 3.93Å; S361-F365 PolarHBondContact O-N 2.97Å; S361-F365 VanDerWaalsContact O-N 3.08Å; R362-F365 WeakPolarHBondContact O-CB 3.48Å; R362-F365 PolarHBondContact O-N 3.43Å; R362-F365 VanDerWaalsContact O-N 3.16Å; F365-S367 PolarHBondContact O-N 3.29Å; F365-S367 VanDerWaalsContact O-N 3.15Å; F365-Y368 HydrophobicContact CD2-CD1 4.12Å; F365-Y368 HydrophobicContact CD2-CG 4.06Å; F365-Y368 AromaticContact CE2-CD1 3.67Å; F365-Y368 HydrophobicContact CE2-CD1 3.67Å; F365-Y368 HydrophobicContact CE2-CE1 4.24Å; F365-Y368 HydrophobicContact CE2-CG 4.1Å; F365-Y368 HydrophobicContact CZ-CD1 4.38Å; F365-Y368 WeakPolarHBondContact O-CB 3.38Å; F365-Y368 PolarHBondContact O-N 3.47Å
366	D	96.8	Very high	95.3	Very high	98 Å²	98	50.6 Å²	50.6	52%	0.524	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-21	177.5	-62.8	-29.9	0	0	0	112.4	R362 R363 A364	R362-D366 IonicContact CZ-OD1 3.89Å; R362-D366 IonicContact NE-OD1 2.74Å; R362-D366 PolarHBondContact NE-OD1 3.05Å; R362-D366 VanDerWaalsContact O-CG 3.26Å; R362-D366 PolarHBondContact O-N 3.48Å; R363-D366 PolarHBondContact O-N 3.49Å; A364-D366 VanDerWaalsContact C-N 3.25Å; A364-D366 PolarHBondContact O-N 3.26Å
367	S	94.9	Very high	95.1	Very high	19 Å²	19	52.8 Å²	52.8	13%	0.133	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	8.3	173.1	-65.7	0	0	0	0	113.9	P342 R343 T344 A364 F365	P342-S367 WeakPolarHBondContact O-CB 3.22Å; R343-S367 PolarHBondContact NE-O 3.33Å; T344-S367 PolarHBondContact N-O 2.86Å; T344-S367 VanDerWaalsContact N-O 3.08Å; A364-S367 PolarHBondContact O-N 2.91Å; F365-S367 PolarHBondContact O-N 3.29Å; F365-S367 VanDerWaalsContact O-N 3.15Å
368	Y	98.1	Very high	94.9	Very high	31 Å²	31	56.1 Å²	56.1	12%	0.122	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	142.6	-179.3	166.6	-85.9	0	0	0	112.5	T344 E346 G354 F365	T344-Y368 HydrophobicContact CG2-CD2 3.89Å; T344-Y368 CarbonylContact O-C 3.48Å; T344-Y368 WeakPolarHBondContact O-CA 3.35Å; E346-Y368 HydrophobicContact CB-CE2 3.63Å; E346-Y368 WeakPolarHBondContact OE2-CE2 3.39Å; E346-Y368 PolarHBondContact OE2-OH 3.37Å; G354-Y368 VanDerWaalsContact CA-CZ 3.41Å; F365-Y368 HydrophobicContact CD2-CD1 4.12Å; F365-Y368 HydrophobicContact CD2-CG 4.06Å; F365-Y368 AromaticContact CE2-CD1 3.67Å; F365-Y368 HydrophobicContact CE2-CD1 3.67Å; F365-Y368 HydrophobicContact CE2-CE1 4.24Å; F365-Y368 HydrophobicContact CE2-CG 4.1Å; F365-Y368 HydrophobicContact CZ-CD1 4.38Å; F365-Y368 WeakPolarHBondContact O-CB 3.38Å; F365-Y368 PolarHBondContact O-N 3.47Å
369	S	97.6	Very high	94.7	Very high	36 Å²	36	51.2 Å²	51.2	25%	0.252	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	159.3	164.8	46.3	0	0	0	0	110.5	T344 I345 E346	T344-S369 PolarHBondContact O-N 3.02Å; I345-S369 CarbonylContact C-O 3.54Å; I345-S369 WeakPolarHBondContact CA-O 3.45Å; I345-S369 WeakPolarHBondContact CD1-OG 3.48Å; E346-S369 PolarHBondContact N-O 3.06Å
370	S	96.6	Very high	94.5	Very high	14 Å²	14	47 Å²	47	10%	0.098	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	147.8	169.3	61.9	0	0	0	0	109.3	E346 R351	E346-S370 WeakPolarHBondContact O-CA 3.26Å; R351-S370 PolarHBondContact NE-OG 2.87Å; R351-S370 PolarHBondContact NH1-OG 3.09Å; R351-S370 PolarHBondContact NH2-OG 2.8Å
371	V	94	Very high	94.4	Very high	8 Å²	8	48.6 Å²	48.6	5%	0.048	24%	0.236	C	C	.	.			trans	-67.6	138.1	171.3	-175.5	0	0	0	0	109.1	A128 K131 L132 I345 E346 M373	A128-V371 HydrophobicContact CB-CB 4.09Å; A128-V371 HydrophobicContact CB-CG1 4.05Å; A128-V371 HydrophobicContact CB-CG2 4.41Å; K131-V371 HydrophobicContact CB-CG1 4.41Å; K131-V371 HydrophobicContact CD-CG1 4.05Å; K131-V371 HydrophobicContact CG-CG1 4.3Å; L132-V371 HydrophobicContact CB-CG2 4.06Å; L132-V371 HydrophobicContact CD1-CG2 4.27Å; L132-V371 HydrophobicContact CD2-CG2 4.4Å; L132-V371 HydrophobicContact CG-CG2 4.48Å; I345-V371 HydrophobicContact CG2-CG2 3.94Å; E346-V371 PolarHBondContact O-N 3.14Å; E346-V371 VanDerWaalsContact O-N 3.16Å; V371-M373 HydrophobicContact CB-CE 3.68Å; V371-M373 HydrophobicContact CG1-CE 4.08Å; V371-M373 WeakPolarHBondContact O-CE 3.26Å
372	D	87.2	Confident	94.2	Very high	89 Å²	89	50.5 Å²	50.5	48%	0.476	24%	0.24	S	C	.	.			trans	-76.8	138.4	176	-65	-38.5	0	0	0	111	K131 R351	K131-D372 PolarHBondContact NZ-O 3.26Å; R351-D372 IonicContact NH2-OD1 3.52Å; R351-D372 PolarHBondContact NH2-OD1 3.14Å; R351-D372 VanDerWaalsContact NH2-OD1 3.16Å
373	M	82.2	Confident	94.1	Very high	28 Å²	28	44 Å²	44	14%	0.138	22%	0.22	C	C	.	.			trans	-108.4	0	-164.1	-62.6	-71.8	134.1	0	0	114.7	F71 G75 K76 D77 L78 I124 A128 G348 V371	F71-M373 HydrophobicContact CZ-CB 4.28Å; G75-M373 WeakPolarHBondContact CA-OXT 3.31Å; G75-M373 PolarHBondContact N-OXT 2.84Å; K76-M373 PolarHBondContact N-OXT 2.63Å; D77-M373 PolarHBondContact N-OXT 3.35Å; L78-M373 HydrophobicContact CD1-SD 3.81Å; L78-M373 PolarHBondContact N-OXT 2.97Å; I124-M373 HydrophobicContact CG2-SD 3.44Å; I124-M373 WeakPolarHBondContact CG2-SD 3.4Å; A128-M373 HydrophobicContact CB-CE 3.42Å; A128-M373 VanDerWaalsContact CB-CE 3.42Å; A128-M373 HydrophobicContact CB-SD 4.19Å; G348-M373 WeakPolarHBondContact O-CE 3.37Å; V371-M373 HydrophobicContact CB-CE 3.68Å; V371-M373 HydrophobicContact CG1-CE 4.08Å; V371-M373 WeakPolarHBondContact O-CE 3.26Å

Retrieved 373 of 373 residues in 768.7 ms (Link to these results)

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