A0A087YAW1_POEFO Loading...

AIF family member 3

AlphaFold DB , UniProt , Accession A0A087YAW1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 544 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	33.2	Very low	50.2	Low	246 Å²	246	149.7 Å²	149.7	100%	1.212	77%	0.766	S	S	*	*				0	104.2	0	-131.6	171.7	-171.5	0	0	106.8	L3	M1-L3 PolarHBondContact O-N 2.78Å
2	L	35.6	Very low	53.9	Low	183 Å²	183	144.9 Å²	144.9	96%	0.958	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-73.5	120	-178.5	-80.8	146	0	0	0	108.9
3	L	31.8	Very low	57.2	Low	161 Å²	161	135.8 Å²	135.8	84%	0.843	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-68.2	141.8	169.7	-81.4	156.9	0	0	0	109.4	M1	M1-L3 PolarHBondContact O-N 2.78Å
4	P	39.8	Very low	60	Low	118 Å²	118	132.6 Å²	132.6	77%	0.766	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-69	135.3	-177.6	3.7	7.9	0	0	0	111.1	N6	P4-N6 PolarHBondContact O-N 3.14Å
5	L	42.1	Very low	62.4	Low	138 Å²	138	125.4 Å²	125.4	72%	0.723	64%	0.638	S	S	*	*			trans	-64.6	97.1	168.6	-79.4	155.4	0	0	0	109.1	H7	L5-H7 PolarHBondContact O-N 2.9Å
6	N	39.3	Very low	64.6	Low	151 Å²	151	121.9 Å²	121.9	81%	0.807	63%	0.628	S	S	*	*			trans	-64.5	107.6	170.8	-120.9	-9.1	0	0	0	109	P4 N8	P4-N6 PolarHBondContact O-N 3.14Å; N6-N8 VanDerWaalsContact C-N 3.32Å; N6-N8 PolarHBondContact O-N 3.03Å
7	H	46.8	Very low	66.5	Low	161 Å²	161	116.5 Å²	116.5	75%	0.745	60%	0.602	S	S	*	*			trans	-74.7	78.5	175.2	-89.8	-45.5	0	0	0	110.7	L5 S9	L5-H7 PolarHBondContact O-N 2.9Å; H7-S9 PolarHBondContact O-N 3.49Å
8	N	54.1	Low	68.2	Low	77 Å²	77	110.6 Å²	110.6	41%	0.412	57%	0.573	S	S	.	*			trans	-86.2	82.2	169.8	-147.1	2	0	0	0	109.9	N6 R10 E11	N6-N8 VanDerWaalsContact C-N 3.32Å; N6-N8 PolarHBondContact O-N 3.03Å; N8-R10 PolarHBondContact O-N 2.92Å; N8-E11 PolarHBondContact O-N 3.4Å; N8-E11 VanDerWaalsContact O-N 3.11Å
9	S	62.2	Low	69.8	Low	97 Å²	97	108.6 Å²	108.6	68%	0.678	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.5	-13.7	179.5	60.5	0	0	0	0	114.2	H7 K114	H7-S9 PolarHBondContact O-N 3.49Å; S9-K114 PolarHBondContact O-NZ 3Å
10	R	76.5	Confident	71.1	Confident	213 Å²	213	105.1 Å²	105.1	80%	0.804	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-38.2	174.2	-70.9	-174.8	176.6	-179.1	0.2	112.7	N8 K114	N8-R10 PolarHBondContact O-N 2.92Å; R10-K114 WeakPolarHBondContact O-CD 3.3Å; R10-K114 WeakPolarHBondContact O-CE 3.38Å; R10-K114 PolarHBondContact O-NZ 2.86Å
11	E	90.8	Very high	72.3	Confident	102 Å²	102	107.7 Å²	107.7	48%	0.477	55%	0.551	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97	-26.2	-172.6	-69.2	179.1	178	0	0	114.3	N8 K114	N8-E11 PolarHBondContact O-N 3.4Å; N8-E11 VanDerWaalsContact O-N 3.11Å; E11-K114 WeakPolarHBondContact O-CG 3.47Å; E11-K114 PolarHBondContact O-N 3.03Å
12	Y	95.2	Very high	75.3	Confident	92 Å²	92	99 Å²	99	36%	0.361	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	148.5	-178	-71.3	-95.2	0	0	0	111.5	R111 A112 N113 K114	Y12-R111 HydrophobicContact CD1-CG 4.21Å; Y12-A112 CarbonylContact C-O 3.5Å; Y12-A112 VanDerWaalsContact CA-O 3.28Å; Y12-A112 WeakPolarHBondContact CA-O 3.23Å; Y12-N113 HydrophobicContact CD1-CB 4.22Å; Y12-N113 HydrophobicContact CE1-CB 3.85Å; Y12-K114 VanDerWaalsContact O-CE 3.26Å; Y12-K114 WeakPolarHBondContact O-CE 3.38Å
13	V	95.9	Very high	78.2	Confident	26 Å²	26	90.3 Å²	90.3	16%	0.158	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	146.7	167.2	66.2	0	0	0	0	109	L33 R111 A112 K114 L117	V13-L33 HydrophobicContact CG1-CB 3.93Å; V13-L33 HydrophobicContact CG1-CD2 3.98Å; V13-L33 HydrophobicContact CG2-CB 4.44Å; V13-L33 VanDerWaalsContact CG2-O 3.26Å; V13-L33 WeakPolarHBondContact CG2-O 3.45Å; V13-R111 WeakPolarHBondContact O-CA 3.47Å; V13-A112 HydrophobicContact CG1-CB 4.22Å; V13-A112 PolarHBondContact N-O 2.79Å; V13-A112 PolarHBondContact O-N 2.78Å; V13-K114 HydrophobicContact CB-CG 4.31Å; V13-L117 HydrophobicContact CG1-CD1 3.53Å
14	E	96.3	Very high	81.2	Confident	92 Å²	92	88.7 Å²	88.7	43%	0.43	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	130.5	175.8	-168.8	171.6	113.3	0	0	109.3	R102 I109 I110 R111	E14-R102 VanDerWaalsContact CD-NH2 3.33Å; E14-R102 IonicContact OE1-CZ 3.25Å; E14-R102 IonicContact OE1-NH1 3.88Å; E14-R102 PolarHBondContact OE1-NH1 3.43Å; E14-R102 IonicContact OE1-NH2 3.88Å; E14-R102 PolarHBondContact OE1-NH2 3.42Å; E14-R102 IonicContact OE2-CZ 3.58Å; E14-R102 IonicContact OE2-NH1 3.83Å; E14-R102 PolarHBondContact OE2-NH1 2.89Å; E14-R102 IonicContact OE2-NH2 2.71Å; E14-I109 HydrophobicContact CG-CG2 3.55Å; E14-I110 VanDerWaalsContact CA-O 3.31Å; E14-I110 WeakPolarHBondContact CA-O 3.4Å; E14-R111 HydrophobicContact CG-CB 4.27Å
15	A	96.6	Very high	83.8	Confident	24 Å²	24	87.4 Å²	87.4	20%	0.198	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	138	-177.3	0	0	0	0	0	111	V17 L33 I109 I110	A15-V17 HydrophobicContact CB-CG1 4.3Å; A15-V17 PolarHBondContact O-N 2.89Å; A15-L33 HydrophobicContact CB-CB 4.49Å; A15-L33 HydrophobicContact CB-CD2 4.49Å; A15-L33 HydrophobicContact CB-CG 4.39Å; A15-I109 WeakPolarHBondContact O-CA 3.48Å; A15-I110 PolarHBondContact N-O 2.86Å; A15-I110 PolarHBondContact O-N 3.22Å
16	S	97.1	Very high	86.2	Confident	69 Å²	69	81.9 Å²	81.9	48%	0.483	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	116.2	162.8	173.2	0	0	0	0	108.1	V108	S16-V108 WeakPolarHBondContact CA-O 3.48Å
17	V	97.6	Very high	88.8	Confident	31 Å²	31	77.5 Å²	77.5	19%	0.188	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	-26.8	-169	-65.6	0	0	0	0	114.4	A15 V31 L40 V108 I110	A15-V17 HydrophobicContact CB-CG1 4.3Å; A15-V17 PolarHBondContact O-N 2.89Å; V17-V31 HydrophobicContact CB-CB 3.92Å; V17-V31 HydrophobicContact CB-CG1 4Å; V17-V31 HydrophobicContact CB-CG2 4.18Å; V17-V31 HydrophobicContact CG1-CB 4Å; V17-V31 HydrophobicContact CG1-CG2 3.96Å; V17-V31 HydrophobicContact CG2-CG1 4.34Å; V17-V31 HydrophobicContact CG2-CG2 4.46Å; V17-L40 HydrophobicContact CG2-CD2 4Å; V17-V108 HydrophobicContact CG2-CB 4.22Å; V17-V108 HydrophobicContact CG2-CG1 4.11Å; V17-V108 WeakPolarHBondContact CG2-O 3.48Å; V17-V108 PolarHBondContact N-O 3.35Å; V17-I110 HydrophobicContact CG1-CB 4.49Å; V17-I110 HydrophobicContact CG1-CD1 4.04Å; V17-I110 HydrophobicContact CG1-CG1 4.21Å; V17-I110 HydrophobicContact CG2-CD1 3.9Å; V17-I110 HydrophobicContact CG2-CG1 3.93Å
18	C	97.4	Very high	91.2	Very high	10 Å²	10	71.1 Å²	71.1	7%	0.068	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.7	176.2	172.7	67.2	0	0	0	0	111.4	D22 V108	C18-D22 HydrophobicContact CB-CB 4.04Å; C18-V108 PolarHBondContact O-N 3.41Å
19	H	97.6	Very high	93.3	Very high	73 Å²	73	71.4 Å²	71.4	34%	0.338	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	157.9	163.4	-71.4	-96.9	0	0	0	111.7	K21 D22 D106	H19-K21 HydrophobicContact CB-CG 4.08Å; H19-K21 PolarHBondContact O-N 3.28Å; H19-D22 WeakPolarHBondContact CB-OD2 3.29Å; H19-D22 IonicContact CD2-OD2 3.93Å; H19-D22 PolarHBondContact N-OD2 3.02Å; H19-D22 WeakPolarHBondContact O-CB 3.24Å; H19-D22 PolarHBondContact O-N 3.2Å; H19-D106 CarbonylContact C-O 3.49Å; H19-D106 WeakPolarHBondContact CA-O 3.2Å; H19-D106 IonicContact CE1-OD2 3.96Å; H19-D106 IonicContact CG-OD2 3.67Å; H19-D106 IonicContact ND1-OD2 2.89Å; H19-D106 PolarHBondContact ND1-OD2 2.92Å
20	V	96.4	Very high	95	Very high	38 Å²	38	69.3 Å²	69.3	23%	0.23	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-60.3	-35.7	179.8	171.3	0	0	0	0	112	D22 K42 F47 V103 D106 V108	V20-D22 VanDerWaalsContact C-N 3.26Å; V20-D22 PolarHBondContact O-N 2.95Å; V20-K42 PolarHBondContact O-NZ 3Å; V20-F47 HydrophobicContact CB-CE2 4.41Å; V20-F47 HydrophobicContact CB-CZ 4.39Å; V20-F47 HydrophobicContact CG1-CE2 3.97Å; V20-F47 HydrophobicContact CG1-CZ 4.12Å; V20-F47 HydrophobicContact CG2-CE2 4.18Å; V20-F47 HydrophobicContact CG2-CZ 4.48Å; V20-V103 HydrophobicContact CG2-CG1 3.49Å; V20-V103 VanDerWaalsContact CG2-CG1 3.49Å; V20-V103 HydrophobicContact CG2-CG2 4.29Å; V20-D106 WeakPolarHBondContact CB-OD1 3.33Å; V20-D106 PolarHBondContact N-O 3.42Å; V20-D106 PolarHBondContact N-OD1 2.79Å; V20-V108 HydrophobicContact CG2-CG2 4.1Å
21	K	96.1	Very high	96	Very high	160 Å²	160	59.6 Å²	59.6	70%	0.696	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-71.2	-18.1	178.3	69.2	-178.4	-178.4	179.1	0	113.9	H19 L23	H19-K21 HydrophobicContact CB-CG 4.08Å; H19-K21 PolarHBondContact O-N 3.28Å; K21-L23 VanDerWaalsContact C-N 3.25Å; K21-L23 PolarHBondContact O-N 2.54Å
22	D	96.2	Very high	96.3	Very high	62 Å²	62	59.4 Å²	59.4	33%	0.332	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-76	-18.3	-174.4	-59.3	-20.7	0	0	0	111.9	C18 H19 V20 R29	C18-D22 HydrophobicContact CB-CB 4.04Å; H19-D22 WeakPolarHBondContact CB-OD2 3.29Å; H19-D22 IonicContact CD2-OD2 3.93Å; H19-D22 PolarHBondContact N-OD2 3.02Å; H19-D22 WeakPolarHBondContact O-CB 3.24Å; H19-D22 PolarHBondContact O-N 3.2Å; V20-D22 VanDerWaalsContact C-N 3.26Å; V20-D22 PolarHBondContact O-N 2.95Å; D22-R29 PolarHBondContact O-NH2 2.94Å
23	L	96.4	Very high	96.3	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.005	29%	0.287	C	S	.	.	S	Bend	trans	-122.5	123.7	178.9	-165.2	67.6	0	0	0	109.5	K21 Q27 R29 L40 K42 F47	K21-L23 VanDerWaalsContact C-N 3.25Å; K21-L23 PolarHBondContact O-N 2.54Å; L23-Q27 HydrophobicContact CD1-CB 3.52Å; L23-Q27 HydrophobicContact CG-CB 4Å; L23-R29 HydrophobicContact CD1-CB 3.84Å; L23-L40 HydrophobicContact CD2-CD2 3.94Å; L23-L40 HydrophobicContact CD2-CG 3.9Å; L23-K42 HydrophobicContact CD2-CB 3.8Å; L23-K42 HydrophobicContact CG-CB 4.07Å; L23-K42 WeakPolarHBondContact O-CD 3.32Å; L23-K42 WeakPolarHBondContact O-CE 3.43Å; L23-K42 PolarHBondContact O-NZ 2.9Å; L23-F47 HydrophobicContact CB-CE1 4.16Å; L23-F47 HydrophobicContact CD2-CD1 4.39Å; L23-F47 HydrophobicContact CD2-CE1 4.06Å
24	E	95.4	Very high	96.2	Very high	127 Å²	127	57.7 Å²	57.7	59%	0.593	32%	0.316	S	S	*	.			trans	-83.9	161.1	177.7	-57.6	174.4	168.1	0	0	111.3	G26 Q27	E24-G26 PolarHBondContact O-N 3.42Å; E24-Q27 HydrophobicContact CB-CG 3.99Å; E24-Q27 VanDerWaalsContact O-CB 3.31Å; E24-Q27 WeakPolarHBondContact O-CB 3.41Å; E24-Q27 PolarHBondContact O-N 3Å; E24-Q27 VanDerWaalsContact O-N 3.16Å; E24-Q27 PolarHBondContact OE2-NE2 2.76Å
25	N	94	Very high	95.9	Very high	91 Å²	91	55.6 Å²	55.6	49%	0.487	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	133.6	175.6	-171.2	68.2	0	0	0	110.8	Q43 H44 G45	N25-Q43 VanDerWaalsContact OD1-C 3.24Å; N25-Q43 WeakPolarHBondContact OD1-CA 3.14Å; N25-H44 WeakPolarHBondContact OD1-CA 3.23Å; N25-H44 PolarHBondContact OD1-N 2.96Å; N25-G45 PolarHBondContact OD1-N 2.75Å
26	G	91.5	Very high	95.8	Very high	23 Å²	23	55.4 Å²	55.4	24%	0.237	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.1	3.5	-174.3	0	0	0	0	0	114	E24 K42	E24-G26 PolarHBondContact O-N 3.42Å; G26-K42 PolarHBondContact N-O 2.78Å
27	Q	94.9	Very high	95.8	Very high	59 Å²	59	57.9 Å²	57.9	28%	0.276	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	155.2	178.3	-62.8	-173.8	-13.1	0	0	113	L23 E24 K42	L23-Q27 HydrophobicContact CD1-CB 3.52Å; L23-Q27 HydrophobicContact CG-CB 4Å; E24-Q27 HydrophobicContact CB-CG 3.99Å; E24-Q27 VanDerWaalsContact O-CB 3.31Å; E24-Q27 WeakPolarHBondContact O-CB 3.41Å; E24-Q27 PolarHBondContact O-N 3Å; E24-Q27 VanDerWaalsContact O-N 3.16Å; E24-Q27 PolarHBondContact OE2-NE2 2.76Å; Q27-K42 PolarHBondContact O-N 2.69Å
28	M	97.4	Very high	95.8	Very high	26 Å²	26	56.4 Å²	56.4	13%	0.128	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	145.9	170.2	-51.9	-175.1	-76.8	0	0	109.3	L39 L40 I41 L61 L66 V71	M28-L39 HydrophobicContact CB-CD1 3.89Å; M28-L39 HydrophobicContact CB-CG 4.42Å; M28-L39 HydrophobicContact SD-CD2 4Å; M28-L40 CarbonylContact C-O 3.13Å; M28-L40 VanDerWaalsContact CA-O 3.31Å; M28-L40 WeakPolarHBondContact CA-O 3.41Å; M28-I41 HydrophobicContact CB-CG1 4.5Å; M28-I41 HydrophobicContact CG-CG1 4.08Å; M28-I41 HydrophobicContact CG-CG2 4.43Å; M28-I41 HydrophobicContact SD-CG1 4.49Å; M28-L61 WeakPolarHBondContact CE-O 3.17Å; M28-L66 HydrophobicContact CE-CB 4.1Å; M28-L66 HydrophobicContact CG-CB 4.06Å; M28-L66 HydrophobicContact CG-CD2 4.03Å; M28-L66 HydrophobicContact SD-CB 3.87Å; M28-V71 HydrophobicContact CE-CG1 4.23Å; M28-V71 HydrophobicContact SD-CB 4.41Å; M28-V71 HydrophobicContact SD-CG1 3.85Å; M28-V71 HydrophobicContact SD-CG2 3.61Å
29	R	98	Very high	95.9	Very high	84 Å²	84	55.9 Å²	55.9	32%	0.317	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	133.7	176.8	178.3	176.9	-65.4	172	0.7	110.5	D22 L23 V31 L40	D22-R29 PolarHBondContact O-NH2 2.94Å; L23-R29 HydrophobicContact CD1-CB 3.84Å; R29-V31 HydrophobicContact CG-CG1 3.93Å; R29-L40 PolarHBondContact N-O 3.37Å; R29-L40 PolarHBondContact O-N 2.91Å
30	E	97.9	Very high	96	Very high	53 Å²	53	52.4 Å²	52.4	25%	0.248	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	129.1	167.3	-168.7	173.8	113.4	0	0	109.4	R37 A38 H52 V62	E30-R37 HydrophobicContact CG-CB 4.14Å; E30-R37 WeakPolarHBondContact OE1-CD 3.42Å; E30-R37 IonicContact OE1-CZ 3.69Å; E30-R37 IonicContact OE1-NE 3.38Å; E30-R37 IonicContact OE1-NH1 2.72Å; E30-R37 PolarHBondContact OE1-NH1 2.88Å; E30-A38 WeakPolarHBondContact CA-O 3.1Å; E30-H52 VanDerWaalsContact CD-CD2 3.47Å; E30-H52 HydrophobicContact CG-CB 4.2Å; E30-H52 IonicContact OE1-CD2 2.63Å; E30-H52 IonicContact OE2-CD2 2.99Å; E30-H52 PolarHBondContact OE2-CD2 3.33Å; E30-H52 IonicContact OE2-CG 3.78Å; E30-V62 HydrophobicContact CB-CB 4.44Å; E30-V62 HydrophobicContact CB-CG1 4.44Å
31	V	98	Very high	96	Very high	8 Å²	8	50.6 Å²	50.6	5%	0.048	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	143	-176.2	-63	0	0	0	0	110.7	V17 R29 L33 R37 A38 L40 I110	V17-V31 HydrophobicContact CB-CB 3.92Å; V17-V31 HydrophobicContact CB-CG1 4Å; V17-V31 HydrophobicContact CB-CG2 4.18Å; V17-V31 HydrophobicContact CG1-CB 4Å; V17-V31 HydrophobicContact CG1-CG2 3.96Å; V17-V31 HydrophobicContact CG2-CG1 4.34Å; V17-V31 HydrophobicContact CG2-CG2 4.46Å; R29-V31 HydrophobicContact CG-CG1 3.93Å; V31-L33 HydrophobicContact CG2-CD1 4.42Å; V31-R37 VanDerWaalsContact O-CA 3.28Å; V31-R37 WeakPolarHBondContact O-CA 3.28Å; V31-A38 HydrophobicContact CG2-CB 4.15Å; V31-A38 PolarHBondContact N-O 2.88Å; V31-A38 PolarHBondContact O-N 2.87Å; V31-L40 HydrophobicContact CG1-CB 4.02Å; V31-L40 HydrophobicContact CG1-CD2 4.33Å; V31-L40 HydrophobicContact CG2-CB 4.18Å; V31-I110 HydrophobicContact CG2-CD1 3.6Å
32	D	96.4	Very high	96	Very high	98 Å²	98	44.3 Å²	44.3	52%	0.524	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	131.9	180	-161.1	-19.6	0	0	0	110.7	G34	D32-G34 WeakPolarHBondContact OD1-CA 3.37Å; D32-G34 PolarHBondContact OD1-N 2.95Å
33	L	96.1	Very high	95.9	Very high	8 Å²	8	42.8 Å²	42.8	4%	0.042	23%	0.234	C	C	.	.			trans	-110.8	17.6	173.8	-63	97.6	0	0	0	111.8	V13 A15 V31 C35 G36 A38 I110 A112 L117	V13-L33 HydrophobicContact CG1-CB 3.93Å; V13-L33 HydrophobicContact CG1-CD2 3.98Å; V13-L33 HydrophobicContact CG2-CB 4.44Å; V13-L33 VanDerWaalsContact CG2-O 3.26Å; V13-L33 WeakPolarHBondContact CG2-O 3.45Å; A15-L33 HydrophobicContact CB-CB 4.49Å; A15-L33 HydrophobicContact CB-CD2 4.49Å; A15-L33 HydrophobicContact CB-CG 4.39Å; V31-L33 HydrophobicContact CG2-CD1 4.42Å; L33-C35 PolarHBondContact O-N 2.92Å; L33-G36 PolarHBondContact N-O 2.81Å; L33-A38 HydrophobicContact CD1-CB 3.65Å; L33-I110 HydrophobicContact CD2-CB 3.92Å; L33-I110 HydrophobicContact CD2-CG2 3.75Å; L33-A112 HydrophobicContact CD2-CB 4.03Å; L33-L117 HydrophobicContact CB-CD1 4.26Å; L33-L117 HydrophobicContact CD1-CD1 4.47Å; L33-L117 HydrophobicContact CD1-CD2 4.08Å; L33-L117 HydrophobicContact CD2-CD1 4.43Å
34	G	92.2	Very high	95.6	Very high	75 Å²	75	50.1 Å²	50.1	77%	0.773	27%	0.268	S	S	*	.	S	Bend	trans	79.8	-39.7	179.4	0	0	0	0	0	114.5	D32	D32-G34 WeakPolarHBondContact OD1-CA 3.37Å; D32-G34 PolarHBondContact OD1-N 2.95Å
35	C	90.4	Very high	95.4	Very high	47 Å²	47	46.5 Å²	46.5	32%	0.318	27%	0.265	S	S	.	.	S	Bend	trans	-106	2.9	178.6	64.1	0	0	0	0	114.1	L33	L33-C35 PolarHBondContact O-N 2.92Å
36	G	94.9	Very high	95.4	Very high	20 Å²	20	49.3 Å²	49.3	21%	0.206	28%	0.275	C	S	.	.	S	Bend	trans	167.3	175.2	-177	0	0	0	0	0	111.2	L33	L33-G36 PolarHBondContact N-O 2.81Å
37	R	97.3	Very high	95.7	Very high	121 Å²	121	49.8 Å²	49.8	46%	0.457	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	147.8	-178.1	-60.3	-173.4	-176.1	177.7	-1.2	112.3	E30 V31 H52 L117 Q120	E30-R37 HydrophobicContact CG-CB 4.14Å; E30-R37 WeakPolarHBondContact OE1-CD 3.42Å; E30-R37 IonicContact OE1-CZ 3.69Å; E30-R37 IonicContact OE1-NE 3.38Å; E30-R37 IonicContact OE1-NH1 2.72Å; E30-R37 PolarHBondContact OE1-NH1 2.88Å; V31-R37 VanDerWaalsContact O-CA 3.28Å; V31-R37 WeakPolarHBondContact O-CA 3.28Å; R37-H52 PolarHBondContact O-ND1 2.71Å; R37-L117 WeakPolarHBondContact O-CD2 3.04Å; R37-Q120 PolarHBondContact O-NE2 3.5Å; R37-Q120 VanDerWaalsContact O-NE2 3.16Å
38	A	98.3	Very high	95.8	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	159.5	173.2	0	0	0	0	0	110.7	E30 V31 L33 M50 F99 I110 L117	E30-A38 WeakPolarHBondContact CA-O 3.1Å; V31-A38 HydrophobicContact CG2-CB 4.15Å; V31-A38 PolarHBondContact N-O 2.88Å; V31-A38 PolarHBondContact O-N 2.87Å; L33-A38 HydrophobicContact CD1-CB 3.65Å; A38-M50 CarbonylContact C-O 3.54Å; A38-M50 WeakPolarHBondContact CA-O 3.25Å; A38-F99 HydrophobicContact CB-CD2 3.73Å; A38-F99 HydrophobicContact CB-CE2 3.75Å; A38-I110 HydrophobicContact CB-CD1 4.46Å; A38-L117 HydrophobicContact CB-CD2 4.22Å
39	L	98.6	Very high	95.8	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	110.5	167.7	-174.8	68.6	0	0	0	108.1	M28 I41 A49 M50 H52 L61 V62 V71	M28-L39 HydrophobicContact CB-CD1 3.89Å; M28-L39 HydrophobicContact CB-CG 4.42Å; M28-L39 HydrophobicContact SD-CD2 4Å; L39-I41 HydrophobicContact CD2-CD1 3.99Å; L39-I41 HydrophobicContact CD2-CG1 4.15Å; L39-I41 HydrophobicContact CG-CD1 4.28Å; L39-I41 HydrophobicContact CG-CG1 3.96Å; L39-A49 VanDerWaalsContact O-CA 3.3Å; L39-A49 WeakPolarHBondContact O-CA 3.44Å; L39-M50 HydrophobicContact CB-CG 4.19Å; L39-M50 HydrophobicContact CD2-CG 4.33Å; L39-M50 HydrophobicContact CD2-SD 4.47Å; L39-M50 PolarHBondContact N-O 3.26Å; L39-M50 PolarHBondContact O-N 2.9Å; L39-H52 HydrophobicContact CB-CB 4.17Å; L39-L61 HydrophobicContact CD2-CB 3.76Å; L39-V62 HydrophobicContact CD1-CB 3.72Å; L39-V62 HydrophobicContact CD1-CG2 4.14Å; L39-V71 HydrophobicContact CD2-CG2 4.4Å
40	L	98.6	Very high	95.9	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	133	168.7	-177.7	67.6	0	0	0	109	V17 L23 M28 R29 V31 F47 V101 V108 I110	V17-L40 HydrophobicContact CG2-CD2 4Å; L23-L40 HydrophobicContact CD2-CD2 3.94Å; L23-L40 HydrophobicContact CD2-CG 3.9Å; M28-L40 CarbonylContact C-O 3.13Å; M28-L40 VanDerWaalsContact CA-O 3.31Å; M28-L40 WeakPolarHBondContact CA-O 3.41Å; R29-L40 PolarHBondContact N-O 3.37Å; R29-L40 PolarHBondContact O-N 2.91Å; V31-L40 HydrophobicContact CG1-CB 4.02Å; V31-L40 HydrophobicContact CG1-CD2 4.33Å; V31-L40 HydrophobicContact CG2-CB 4.18Å; L40-F47 HydrophobicContact CD1-CB 4.37Å; L40-F47 HydrophobicContact CD1-CD1 3.9Å; L40-F47 HydrophobicContact CD2-CD1 4.24Å; L40-F47 HydrophobicContact CD2-CE1 4.37Å; L40-F47 HydrophobicContact CG-CD1 4.15Å; L40-V101 HydrophobicContact CD1-CG1 4.43Å; L40-V108 HydrophobicContact CD1-CG1 3.92Å; L40-V108 HydrophobicContact CD2-CG1 4.17Å; L40-I110 HydrophobicContact CD1-CD1 4.15Å
41	I	98.2	Very high	95.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	136.3	-177.5	-57.7	168.5	0	0	0	107.8	M28 L39 F47 S48 M50 L66 V71 T82	M28-I41 HydrophobicContact CB-CG1 4.5Å; M28-I41 HydrophobicContact CG-CG1 4.08Å; M28-I41 HydrophobicContact CG-CG2 4.43Å; M28-I41 HydrophobicContact SD-CG1 4.49Å; L39-I41 HydrophobicContact CD2-CD1 3.99Å; L39-I41 HydrophobicContact CD2-CG1 4.15Å; L39-I41 HydrophobicContact CG-CD1 4.28Å; L39-I41 HydrophobicContact CG-CG1 3.96Å; I41-F47 VanDerWaalsContact O-CA 3.32Å; I41-F47 WeakPolarHBondContact O-CA 3.22Å; I41-S48 PolarHBondContact N-O 3.26Å; I41-S48 PolarHBondContact O-N 3.37Å; I41-M50 HydrophobicContact CD1-CG 4.13Å; I41-M50 HydrophobicContact CD1-SD 3.56Å; I41-M50 VanDerWaalsContact CD1-SD 3.56Å; I41-L66 HydrophobicContact CG2-CD1 3.9Å; I41-L66 HydrophobicContact CG2-CD2 3.72Å; I41-L66 HydrophobicContact CG2-CG 4.49Å; I41-V71 HydrophobicContact CD1-CG2 3.83Å; I41-T82 HydrophobicContact CD1-CG2 3.67Å; I41-T82 HydrophobicContact CG2-CG2 4.4Å
42	K	96.3	Very high	95.9	Very high	28 Å²	28	41.1 Å²	41.1	12%	0.122	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	117.5	169.3	-169.9	-179.5	-174.5	176.1	0	109.9	V20 L23 G26 Q27 E46 F47	V20-K42 PolarHBondContact O-NZ 3Å; L23-K42 HydrophobicContact CD2-CB 3.8Å; L23-K42 HydrophobicContact CG-CB 4.07Å; L23-K42 WeakPolarHBondContact O-CD 3.32Å; L23-K42 WeakPolarHBondContact O-CE 3.43Å; L23-K42 PolarHBondContact O-NZ 2.9Å; G26-K42 PolarHBondContact N-O 2.78Å; Q27-K42 PolarHBondContact O-N 2.69Å; K42-E46 CarbonylContact C-O 3.49Å; K42-E46 VanDerWaalsContact CA-O 3.28Å; K42-E46 WeakPolarHBondContact CA-O 3.48Å; K42-F47 HydrophobicContact CB-CD1 4.07Å; K42-F47 HydrophobicContact CB-CE1 3.99Å; K42-F47 HydrophobicContact CD-CE1 3.82Å; K42-F47 HydrophobicContact CD-CE2 4.12Å; K42-F47 HydrophobicContact CD-CZ 3.58Å; K42-F47 HydrophobicContact CG-CD1 4.27Å; K42-F47 HydrophobicContact CG-CE1 4.04Å; K42-F47 HydrophobicContact CG-CE2 4.37Å; K42-F47 HydrophobicContact CG-CZ 4.09Å
43	Q	93.4	Very high	96	Very high	30 Å²	30	40.9 Å²	40.9	14%	0.14	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	137.6	179.7	-160.6	176.2	32.6	0	0	110.4	N25 G45 E46	N25-Q43 VanDerWaalsContact OD1-C 3.24Å; N25-Q43 WeakPolarHBondContact OD1-CA 3.14Å; Q43-G45 PolarHBondContact O-N 2.71Å; Q43-E46 PolarHBondContact N-O 2.88Å; Q43-E46 PolarHBondContact O-N 2.75Å
44	H	90.1	Very high	96	Very high	155 Å²	155	40.6 Å²	40.6	72%	0.718	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.1	34.9	-172	-47.8	114.7	0	0	0	113.8	N25 E46	N25-H44 WeakPolarHBondContact OD1-CA 3.23Å; N25-H44 PolarHBondContact OD1-N 2.96Å; H44-E46 PolarHBondContact O-N 2.71Å
45	G	90.5	Very high	96.2	Very high	51 Å²	51	38.5 Å²	38.5	53%	0.526	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.5	-6.7	-177.9	0	0	0	0	0	115.2	N25 Q43	N25-G45 PolarHBondContact OD1-N 2.75Å; Q43-G45 PolarHBondContact O-N 2.71Å
46	E	94.2	Very high	96.4	Very high	149 Å²	149	37.9 Å²	37.9	70%	0.696	20%	0.195	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-99	148.2	-179.4	-62.4	-174.4	170	0	0	111.8	K42 Q43 H44	K42-E46 CarbonylContact C-O 3.49Å; K42-E46 VanDerWaalsContact CA-O 3.28Å; K42-E46 WeakPolarHBondContact CA-O 3.48Å; Q43-E46 PolarHBondContact N-O 2.88Å; Q43-E46 PolarHBondContact O-N 2.75Å; H44-E46 PolarHBondContact O-N 2.71Å
47	F	97.3	Very high	96.4	Very high	34 Å²	34	39.8 Å²	39.8	15%	0.149	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	135.1	173.8	-68.9	-92.1	0	0	0	111.2	V20 L23 L40 I41 K42 V101 V103 V108	V20-F47 HydrophobicContact CB-CE2 4.41Å; V20-F47 HydrophobicContact CB-CZ 4.39Å; V20-F47 HydrophobicContact CG1-CE2 3.97Å; V20-F47 HydrophobicContact CG1-CZ 4.12Å; V20-F47 HydrophobicContact CG2-CE2 4.18Å; V20-F47 HydrophobicContact CG2-CZ 4.48Å; L23-F47 HydrophobicContact CB-CE1 4.16Å; L23-F47 HydrophobicContact CD2-CD1 4.39Å; L23-F47 HydrophobicContact CD2-CE1 4.06Å; L40-F47 HydrophobicContact CD1-CB 4.37Å; L40-F47 HydrophobicContact CD1-CD1 3.9Å; L40-F47 HydrophobicContact CD2-CD1 4.24Å; L40-F47 HydrophobicContact CD2-CE1 4.37Å; L40-F47 HydrophobicContact CG-CD1 4.15Å; I41-F47 VanDerWaalsContact O-CA 3.32Å; I41-F47 WeakPolarHBondContact O-CA 3.22Å; K42-F47 HydrophobicContact CB-CD1 4.07Å; K42-F47 HydrophobicContact CB-CE1 3.99Å; K42-F47 HydrophobicContact CD-CE1 3.82Å; K42-F47 HydrophobicContact CD-CE2 4.12Å; K42-F47 HydrophobicContact CD-CZ 3.58Å; K42-F47 HydrophobicContact CG-CD1 4.27Å; K42-F47 HydrophobicContact CG-CE1 4.04Å; K42-F47 HydrophobicContact CG-CE2 4.37Å; K42-F47 HydrophobicContact CG-CZ 4.09Å; F47-V101 HydrophobicContact CB-CB 4.5Å; F47-V101 HydrophobicContact CB-CG1 3.69Å; F47-V103 HydrophobicContact CD2-CG2 4.07Å; F47-V103 HydrophobicContact CE2-CG2 4.39Å; F47-V108 HydrophobicContact CD1-CG1 4.11Å; F47-V108 HydrophobicContact CD1-CG2 4.14Å; F47-V108 HydrophobicContact CD2-CG2 4.31Å; F47-V108 HydrophobicContact CE1-CG1 4.49Å; F47-V108 HydrophobicContact CE1-CG2 3.75Å; F47-V108 HydrophobicContact CE2-CG2 3.96Å; F47-V108 HydrophobicContact CG-CG1 4.25Å; F47-V108 HydrophobicContact CG-CG2 4.38Å; F47-V108 HydrophobicContact CZ-CG2 3.66Å
48	S	97.9	Very high	96.4	Very high	30 Å²	30	35.4 Å²	35.4	21%	0.21	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	156.9	169.2	53.7	0	0	0	0	109.9	I41	I41-S48 PolarHBondContact N-O 3.26Å; I41-S48 PolarHBondContact O-N 3.37Å
49	A	98.3	Very high	96.3	Very high	3 Å²	3	35.4 Å²	35.4	3%	0.025	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	139.6	176.7	0	0	0	0	0	111.2	L39 T98 F99 V101 I110	L39-A49 VanDerWaalsContact O-CA 3.3Å; L39-A49 WeakPolarHBondContact O-CA 3.44Å; A49-T98 CarbonylContact O-C 3.58Å; A49-T98 WeakPolarHBondContact O-CA 3.44Å; A49-F99 HydrophobicContact CB-CB 4.04Å; A49-F99 HydrophobicContact CB-CD2 4.35Å; A49-F99 PolarHBondContact O-N 2.82Å; A49-V101 HydrophobicContact CB-CG2 3.35Å; A49-I110 HydrophobicContact CB-CD1 3.75Å; A49-I110 HydrophobicContact CB-CG1 4.19Å; A49-I110 HydrophobicContact CB-CG2 4.19Å
50	M	98.3	Very high	96.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	173.5	-179.6	64.5	-169.7	-46.2	0	0	111.2	A38 L39 I41 V71 F80 S81 L96 P97 T98 F99	A38-M50 CarbonylContact C-O 3.54Å; A38-M50 WeakPolarHBondContact CA-O 3.25Å; L39-M50 HydrophobicContact CB-CG 4.19Å; L39-M50 HydrophobicContact CD2-CG 4.33Å; L39-M50 HydrophobicContact CD2-SD 4.47Å; L39-M50 PolarHBondContact N-O 3.26Å; L39-M50 PolarHBondContact O-N 2.9Å; I41-M50 HydrophobicContact CD1-CG 4.13Å; I41-M50 HydrophobicContact CD1-SD 3.56Å; I41-M50 VanDerWaalsContact CD1-SD 3.56Å; M50-V71 HydrophobicContact SD-CG2 4.47Å; M50-F80 HydrophobicContact CE-CB 3.91Å; M50-S81 WeakPolarHBondContact CE-O 3.39Å; M50-L96 HydrophobicContact CE-CB 3.81Å; M50-L96 HydrophobicContact CE-CD1 3.43Å; M50-L96 VanDerWaalsContact CE-CD1 3.43Å; M50-L96 HydrophobicContact CE-CG 4.23Å; M50-P97 CarbonylContact C-O 3.54Å; M50-P97 VanDerWaalsContact CA-O 3.28Å; M50-P97 WeakPolarHBondContact CA-O 3.39Å; M50-T98 HydrophobicContact CB-CG2 4.43Å; M50-F99 VanDerWaalsContact C-CE2 3.41Å; M50-F99 WeakPolarHBondContact O-CE2 3.3Å
51	A	98.1	Very high	96.2	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.5	142.7	170.6	0	0	0	0	0	111.9	L96 P97 Q120	A51-L96 HydrophobicContact CB-CB 4.27Å; A51-L96 HydrophobicContact CB-CD2 3.84Å; A51-P97 HydrophobicContact CB-CG 4.49Å; A51-P97 PolarHBondContact N-O 2.82Å; A51-Q120 HydrophobicContact CB-CB 4.32Å; A51-Q120 VanDerWaalsContact CB-OE1 3.27Å
52	H	98.2	Very high	96.2	Very high	14 Å²	14	38.7 Å²	38.7	7%	0.065	21%	0.209	C	C	.	.	S	Bend	trans	-91	-12.9	-170.6	75.1	-68.3	0	0	0	114.8	E30 R37 L39 L61 Q120	E30-H52 VanDerWaalsContact CD-CD2 3.47Å; E30-H52 HydrophobicContact CG-CB 4.2Å; E30-H52 IonicContact OE1-CD2 2.63Å; E30-H52 IonicContact OE2-CD2 2.99Å; E30-H52 PolarHBondContact OE2-CD2 3.33Å; E30-H52 IonicContact OE2-CG 3.78Å; R37-H52 PolarHBondContact O-ND1 2.71Å; L39-H52 HydrophobicContact CB-CB 4.17Å; H52-L61 WeakPolarHBondContact O-CB 3.44Å; H52-L61 PolarHBondContact O-N 3.36Å; H52-Q120 PolarHBondContact CE1-OE1 3.41Å; H52-Q120 VanDerWaalsContact ND1-CD 3.28Å; H52-Q120 PolarHBondContact ND1-NE2 3.09Å; H52-Q120 PolarHBondContact ND1-OE1 3.28Å
53	K	98.1	Very high	96.2	Very high	94 Å²	94	44.1 Å²	44.1	41%	0.409	23%	0.232	S	C	.	.	B	Isolated β-bridge	trans	-113.8	136.9	179.6	-76.4	174.3	178.1	175	0	111.1	A59 L96 Q120	K53-A59 WeakPolarHBondContact CA-O 3.44Å; K53-L96 WeakPolarHBondContact O-CD2 3.25Å; K53-Q120 HydrophobicContact CB-CB 4.47Å
54	C	97.8	Very high	96.4	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.007	23%	0.231	C	C	.	.			trans	-60.6	129.6	169.3	-179.6	0	0	0	0	109.2	H56 G58 A59 L61 C73	C54-H56 PolarHBondContact O-N 3.03Å; C54-G58 WeakPolarHBondContact O-CA 3.48Å; C54-G58 PolarHBondContact O-N 2.96Å; C54-A59 HydrophobicContact CB-CB 3.93Å; C54-A59 PolarHBondContact N-O 2.9Å; C54-L61 HydrophobicContact CB-CD2 3.89Å; C54-L61 HydrophobicContact CB-CG 4.36Å; C54-C73 HydrophobicContact CB-CB 4.3Å; C54-C73 VanDerWaalsContact SG-SG 3.64Å
55	P	96.4	Very high	96.7	Very high	31 Å²	31	36.6 Å²	36.6	20%	0.201	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-6.6	-174.1	33.3	-32.2	0	0	0	112.7	F80 D94 L96 K121	P55-F80 HydrophobicContact CG-CE1 3.85Å; P55-F80 HydrophobicContact CG-CZ 3.96Å; P55-D94 HydrophobicContact CB-CB 4.17Å; P55-D94 HydrophobicContact CG-CB 4.35Å; P55-D94 WeakPolarHBondContact CG-O 3.34Å; P55-L96 HydrophobicContact CB-CD2 4.46Å; P55-L96 HydrophobicContact CG-CD2 4.05Å; P55-K121 HydrophobicContact CB-CB 3.68Å
56	H	94.5	Very high	96.9	Very high	34 Å²	34	35.7 Å²	35.7	16%	0.157	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-81.3	173.7	-177.9	-137.7	0	0	0	110.3	C54 H76 W459	C54-H56 PolarHBondContact O-N 3.03Å; H56-H76 AromaticContact CE1-CG 3.9Å; H56-H76 AromaticContact CE1-ND1 3.82Å; H56-H76 AromaticContact ND1-CG 3.58Å; H56-H76 AromaticContact ND1-ND1 3.26Å; H56-H76 PolarHBondContact ND1-ND1 3.24Å; H56-W459 AromaticContact CE1-CH2 3.51Å; H56-W459 AromaticContact CE1-CZ2 3.75Å
57	Y	94.6	Very high	96.7	Very high	61 Å²	61	29.6 Å²	29.6	24%	0.239	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.4	19	179.1	-66.6	-10.1	0	0	0	113.6	W75 H76 D179 W459	Y57-W75 WeakPolarHBondContact O-CZ3 3.43Å; Y57-H76 AromaticContact CD2-CE1 3.24Å; Y57-H76 WeakPolarHBondContact CD2-CE1 3.42Å; Y57-H76 AromaticContact CD2-NE2 3.76Å; Y57-H76 AromaticContact CG-CE1 3.83Å; Y57-D179 VanDerWaalsContact CE1-OD2 3.29Å; Y57-D179 WeakPolarHBondContact CE1-OD2 3.29Å; Y57-D179 VanDerWaalsContact OH-CG 3.3Å; Y57-D179 PolarHBondContact OH-OD1 3.04Å; Y57-D179 VanDerWaalsContact OH-OD1 3.13Å; Y57-D179 PolarHBondContact OH-OD2 3.07Å; Y57-W459 AromaticContact CE2-CZ2 3.86Å; Y57-W459 HydrophobicContact CE2-CZ2 3.86Å
58	G	96.1	Very high	96.1	Very high	28 Å²	28	35 Å²	35	29%	0.289	18%	0.182	S	C	.	.			trans	80.8	18.4	172.4	0	0	0	0	0	115.7	C54	C54-G58 WeakPolarHBondContact O-CA 3.48Å; C54-G58 PolarHBondContact O-N 2.96Å
59	A	97	Very high	95.8	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.182	C	C	.	.			trans	-56.7	132.7	178.2	0	0	0	0	0	111	K53 C54 L61 C73 P74 W75	K53-A59 WeakPolarHBondContact CA-O 3.44Å; C54-A59 HydrophobicContact CB-CB 3.93Å; C54-A59 PolarHBondContact N-O 2.9Å; A59-L61 PolarHBondContact O-N 2.75Å; A59-C73 WeakPolarHBondContact CB-SG 3.33Å; A59-P74 HydrophobicContact CB-CG 4.43Å; A59-W75 HydrophobicContact CB-CB 3.92Å; A59-W75 HydrophobicContact CB-CD2 3.3Å; A59-W75 HydrophobicContact CB-CE3 3.45Å; A59-W75 VanDerWaalsContact CB-CE3 3.45Å; A59-W75 HydrophobicContact CB-CG 3.52Å; A59-W75 HydrophobicContact CB-CZ2 4.49Å; A59-W75 HydrophobicContact CB-CZ3 4.11Å
60	P	97.7	Very high	95.7	Very high	27 Å²	27	35.7 Å²	35.7	18%	0.175	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-68.6	114.2	175.8	27.9	-33.5	0	0	0	109.8	V62 K63	P60-V62 VanDerWaalsContact C-N 3.25Å; P60-V62 HydrophobicContact CB-CG1 4.39Å; P60-V62 PolarHBondContact O-N 2.95Å; P60-K63 HydrophobicContact CB-CG 4.49Å; P60-K63 HydrophobicContact CG-CB 4.42Å; P60-K63 HydrophobicContact CG-CD 3.87Å; P60-K63 HydrophobicContact CG-CG 4.06Å; P60-K63 WeakPolarHBondContact O-CB 3.13Å; P60-K63 PolarHBondContact O-N 3.18Å; P60-K63 VanDerWaalsContact O-N 3.09Å
61	L	98.1	Very high	95.6	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-70.7	-21	-174.5	-71.2	178.1	0	0	0	113.3	M28 L39 H52 C54 A59 K63 G64 V71 C73 F80 L96	M28-L61 WeakPolarHBondContact CE-O 3.17Å; L39-L61 HydrophobicContact CD2-CB 3.76Å; H52-L61 WeakPolarHBondContact O-CB 3.44Å; H52-L61 PolarHBondContact O-N 3.36Å; C54-L61 HydrophobicContact CB-CD2 3.89Å; C54-L61 HydrophobicContact CB-CG 4.36Å; A59-L61 PolarHBondContact O-N 2.75Å; L61-K63 PolarHBondContact O-N 3.27Å; L61-G64 WeakPolarHBondContact O-CA 3.46Å; L61-G64 PolarHBondContact O-N 3.42Å; L61-V71 HydrophobicContact CB-CG1 4.23Å; L61-V71 HydrophobicContact CD2-CG1 4.29Å; L61-C73 HydrophobicContact CD2-CB 4.08Å; L61-F80 HydrophobicContact CD1-CD2 4.43Å; L61-F80 HydrophobicContact CD2-CD2 4.44Å; L61-F80 HydrophobicContact CD2-CE2 4.44Å; L61-L96 HydrophobicContact CD1-CD1 3.34Å
62	V	97.8	Very high	95.6	Very high	42 Å²	42	36.2 Å²	36.2	26%	0.255	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-59.6	-24.1	170.2	71.3	0	0	0	0	112.6	E30 L39 P60 G64	E30-V62 HydrophobicContact CB-CB 4.44Å; E30-V62 HydrophobicContact CB-CG1 4.44Å; L39-V62 HydrophobicContact CD1-CB 3.72Å; L39-V62 HydrophobicContact CD1-CG2 4.14Å; P60-V62 VanDerWaalsContact C-N 3.25Å; P60-V62 HydrophobicContact CB-CG1 4.39Å; P60-V62 PolarHBondContact O-N 2.95Å; V62-G64 VanDerWaalsContact C-N 3.34Å
63	K	96.9	Very high	95.5	Very high	143 Å²	143	35.6 Å²	35.6	62%	0.622	19%	0.186	S	C	*	.	G	3₁₀ helix	trans	-88.7	-0.5	173.3	-59.1	-168.9	-179	-177.5	0	113.2	P60 L61 P74 P510	P60-K63 HydrophobicContact CB-CG 4.49Å; P60-K63 HydrophobicContact CG-CB 4.42Å; P60-K63 HydrophobicContact CG-CD 3.87Å; P60-K63 HydrophobicContact CG-CG 4.06Å; P60-K63 WeakPolarHBondContact O-CB 3.13Å; P60-K63 PolarHBondContact O-N 3.18Å; P60-K63 VanDerWaalsContact O-N 3.09Å; L61-K63 PolarHBondContact O-N 3.27Å; K63-P74 HydrophobicContact CB-CG 4.16Å; K63-P74 WeakPolarHBondContact O-CB 3.41Å; K63-P510 WeakPolarHBondContact O-CB 3.38Å
64	G	96.5	Very high	95.5	Very high	10 Å²	10	31.2 Å²	31.2	10%	0.103	17%	0.167	C	C	.	.	S	Bend	trans	-80.2	-166.1	178	0	0	0	0	0	113.4	L61 V62 R72	L61-G64 WeakPolarHBondContact O-CA 3.46Å; L61-G64 PolarHBondContact O-N 3.42Å; V62-G64 VanDerWaalsContact C-N 3.34Å; G64-R72 WeakPolarHBondContact CA-O 3.24Å
65	V	96	Very high	95.4	Very high	17 Å²	17	35.4 Å²	35.4	10%	0.103	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	118.8	179.5	-178.4	0	0	0	0	109.1	V71 R72 P510 R514 E517	V65-V71 CarbonylContact O-C 3.6Å; V65-V71 WeakPolarHBondContact O-CA 3.47Å; V65-R72 HydrophobicContact CB-CB 4.45Å; V65-R72 PolarHBondContact N-O 3.43Å; V65-R72 PolarHBondContact O-N 3.48Å; V65-P510 HydrophobicContact CG2-CB 4.15Å; V65-P510 HydrophobicContact CG2-CG 4.17Å; V65-R514 HydrophobicContact CG1-CG 4.21Å; V65-R514 HydrophobicContact CG2-CB 4.14Å; V65-R514 HydrophobicContact CG2-CG 4.26Å; V65-E517 HydrophobicContact CB-CG 4.49Å; V65-E517 HydrophobicContact CG1-CG 3.91Å
66	L	95.3	Very high	95.3	Very high	31 Å²	31	34.4 Å²	34.4	16%	0.162	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	124.2	169.1	177.5	64.6	0	0	0	108.8	M28 I41 V71 T82	M28-L66 HydrophobicContact CE-CB 4.1Å; M28-L66 HydrophobicContact CG-CB 4.06Å; M28-L66 HydrophobicContact CG-CD2 4.03Å; M28-L66 HydrophobicContact SD-CB 3.87Å; I41-L66 HydrophobicContact CG2-CD1 3.9Å; I41-L66 HydrophobicContact CG2-CD2 3.72Å; I41-L66 HydrophobicContact CG2-CG 4.49Å; L66-V71 HydrophobicContact CD1-CG2 3.97Å; L66-T82 HydrophobicContact CD1-CG2 3.72Å
67	S	90.3	Very high	95.4	Very high	22 Å²	22	32.8 Å²	32.8	15%	0.154	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	132.7	-176.7	170.5	0	0	0	0	109.3	G69 H70 E517	S67-G69 VanDerWaalsContact C-N 3.3Å; S67-G69 PolarHBondContact O-N 2.9Å; S67-H70 PolarHBondContact N-O 3.15Å; S67-H70 PolarHBondContact O-CE1 3.04Å; S67-H70 PolarHBondContact O-N 2.73Å; S67-H70 PolarHBondContact O-ND1 3.27Å; S67-H70 VanDerWaalsContact O-ND1 3.16Å; S67-E517 WeakPolarHBondContact CB-OE2 3.27Å; S67-E517 PolarHBondContact OG-OE2 2.9Å
68	K	84.1	Confident	95.5	Very high	147 Å²	147	29.9 Å²	29.9	64%	0.639	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.4	41.9	170	-60.6	-175.5	176	-170.1	0	116.3	S521	K68-S521 VanDerWaalsContact NZ-CB 3.28Å
69	G	91.6	Very high	95.5	Very high	22 Å²	22	28.7 Å²	28.7	23%	0.227	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.3	13.5	179.2	0	0	0	0	0	115.1	S67 T82	S67-G69 VanDerWaalsContact C-N 3.3Å; S67-G69 PolarHBondContact O-N 2.9Å; G69-T82 PolarHBondContact O-N 3.17Å; G69-T82 PolarHBondContact O-OG1 3.16Å
70	H	95.4	Very high	95.5	Very high	25 Å²	25	28.7 Å²	28.7	12%	0.116	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	161.5	171.8	68.9	-99.3	0	0	0	112.3	S67 F80 E88 E517	S67-H70 PolarHBondContact N-O 3.15Å; S67-H70 PolarHBondContact O-CE1 3.04Å; S67-H70 PolarHBondContact O-N 2.73Å; S67-H70 PolarHBondContact O-ND1 3.27Å; S67-H70 VanDerWaalsContact O-ND1 3.16Å; H70-F80 CarbonylContact C-O 3.53Å; H70-F80 WeakPolarHBondContact CA-O 3.28Å; H70-F80 VanDerWaalsContact CB-O 3.24Å; H70-F80 WeakPolarHBondContact CB-O 3.46Å; H70-E88 WeakPolarHBondContact CB-OE2 3.45Å; H70-E88 IonicContact CG-OE2 2.82Å; H70-E517 IonicContact CD2-OE1 3.56Å; H70-E517 IonicContact CE1-OE1 3.23Å; H70-E517 IonicContact CE1-OE2 2.79Å; H70-E517 PolarHBondContact CE1-OE2 3.33Å; H70-E517 VanDerWaalsContact CE1-OE2 3.23Å; H70-E517 IonicContact NE2-OE1 2.95Å; H70-E517 PolarHBondContact NE2-OE1 2.71Å; H70-E517 IonicContact NE2-OE2 2.71Å; H70-E517 PolarHBondContact NE2-OE2 2.78Å
71	V	97.3	Very high	95.5	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	121.6	172.4	-177	0	0	0	0	109.6	M28 L39 I41 M50 L61 V65 L66 C79 F80 T82	M28-V71 HydrophobicContact CE-CG1 4.23Å; M28-V71 HydrophobicContact SD-CB 4.41Å; M28-V71 HydrophobicContact SD-CG1 3.85Å; M28-V71 HydrophobicContact SD-CG2 3.61Å; L39-V71 HydrophobicContact CD2-CG2 4.4Å; I41-V71 HydrophobicContact CD1-CG2 3.83Å; M50-V71 HydrophobicContact SD-CG2 4.47Å; L61-V71 HydrophobicContact CB-CG1 4.23Å; L61-V71 HydrophobicContact CD2-CG1 4.29Å; V65-V71 CarbonylContact O-C 3.6Å; V65-V71 WeakPolarHBondContact O-CA 3.47Å; L66-V71 HydrophobicContact CD1-CG2 3.97Å; V71-C79 WeakPolarHBondContact O-CA 3.31Å; V71-F80 PolarHBondContact N-O 3.03Å; V71-F80 PolarHBondContact O-N 3.31Å; V71-T82 HydrophobicContact CG2-CG2 3.89Å
72	R	97.3	Very high	95.4	Very high	12 Å²	12	28.6 Å²	28.6	5%	0.045	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	126.3	171.1	-171	172.6	-63.8	-94.1	2.7	111	G64 V65 G77 A78 C79 D89 E517	G64-R72 WeakPolarHBondContact CA-O 3.24Å; V65-R72 HydrophobicContact CB-CB 4.45Å; V65-R72 PolarHBondContact N-O 3.43Å; V65-R72 PolarHBondContact O-N 3.48Å; R72-G77 WeakPolarHBondContact CG-O 3.42Å; R72-G77 PolarHBondContact NH1-O 2.8Å; R72-A78 CarbonylContact C-O 3.23Å; R72-A78 WeakPolarHBondContact CA-O 3.49Å; R72-C79 PolarHBondContact NE-SG 3.14Å; R72-C79 VanDerWaalsContact NE-SG 3.42Å; R72-C79 PolarHBondContact NH2-SG 2.92Å; R72-D89 IonicContact CZ-OD2 3.78Å; R72-D89 IonicContact NH1-OD2 2.68Å; R72-D89 PolarHBondContact NH1-OD2 2.83Å; R72-D89 IonicContact NH2-OD2 3.77Å; R72-E517 IonicContact CZ-OE1 3.38Å; R72-E517 VanDerWaalsContact CZ-OE1 3.24Å; R72-E517 IonicContact NE-OE1 2.77Å; R72-E517 PolarHBondContact NE-OE1 2.69Å; R72-E517 IonicContact NH2-OE1 2.67Å; R72-E517 PolarHBondContact NH2-OE1 3.03Å
73	C	97.7	Very high	95.2	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.162	C	C	.	.			trans	-62.9	129.2	177.3	170.7	0	0	0	0	111.4	C54 A59 L61 W75 G77 A78 S513	C54-C73 HydrophobicContact CB-CB 4.3Å; C54-C73 VanDerWaalsContact SG-SG 3.64Å; A59-C73 WeakPolarHBondContact CB-SG 3.33Å; L61-C73 HydrophobicContact CD2-CB 4.08Å; C73-W75 VanDerWaalsContact C-N 3.28Å; C73-W75 PolarHBondContact O-N 3.47Å; C73-G77 WeakPolarHBondContact O-CA 3.39Å; C73-G77 PolarHBondContact O-N 3.33Å; C73-A78 HydrophobicContact CB-CB 4.17Å; C73-A78 VanDerWaalsContact CB-O 3.31Å; C73-A78 WeakPolarHBondContact CB-O 3.29Å; C73-A78 PolarHBondContact N-O 3.04Å; C73-S513 PolarHBondContact O-OG 3.24Å
74	P	96.3	Very high	95.2	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.013	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-23.4	-175.1	28.8	-33.9	0	0	0	113.3	A59 K63 R468 P510	A59-P74 HydrophobicContact CB-CG 4.43Å; K63-P74 HydrophobicContact CB-CG 4.16Å; K63-P74 WeakPolarHBondContact O-CB 3.41Å; P74-R468 WeakPolarHBondContact O-CD 3.21Å; P74-R468 PolarHBondContact O-NE 3.4Å; P74-P510 HydrophobicContact CB-CB 4.03Å
75	W	95.4	Very high	95.2	Very high	89 Å²	89	26.1 Å²	26.1	34%	0.337	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-48.1	-175.3	-67.6	-3.7	0	0	0	112.6	Y57 A59 C73 R468	Y57-W75 WeakPolarHBondContact O-CZ3 3.43Å; A59-W75 HydrophobicContact CB-CB 3.92Å; A59-W75 HydrophobicContact CB-CD2 3.3Å; A59-W75 HydrophobicContact CB-CE3 3.45Å; A59-W75 VanDerWaalsContact CB-CE3 3.45Å; A59-W75 HydrophobicContact CB-CG 3.52Å; A59-W75 HydrophobicContact CB-CZ2 4.49Å; A59-W75 HydrophobicContact CB-CZ3 4.11Å; C73-W75 VanDerWaalsContact C-N 3.28Å; C73-W75 PolarHBondContact O-N 3.47Å; W75-R468 WeakPolarHBondContact O-CD 3.43Å; W75-R468 PolarHBondContact O-NE 3.25Å
76	H	95.4	Very high	95.3	Very high	11 Å²	11	26.9 Å²	26.9	5%	0.051	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.2	-1.7	-166.5	-54.6	117.7	0	0	0	114.1	H56 Y57 A78 P91 Y457 W459	H56-H76 AromaticContact CE1-CG 3.9Å; H56-H76 AromaticContact CE1-ND1 3.82Å; H56-H76 AromaticContact ND1-CG 3.58Å; H56-H76 AromaticContact ND1-ND1 3.26Å; H56-H76 PolarHBondContact ND1-ND1 3.24Å; Y57-H76 AromaticContact CD2-CE1 3.24Å; Y57-H76 WeakPolarHBondContact CD2-CE1 3.42Å; Y57-H76 AromaticContact CD2-NE2 3.76Å; Y57-H76 AromaticContact CG-CE1 3.83Å; H76-A78 PolarHBondContact O-N 3.38Å; H76-P91 HydrophobicContact CB-CG 3.72Å; H76-P91 WeakPolarHBondContact O-CD 3.24Å; H76-Y457 WeakPolarHBondContact O-CD1 3.49Å; H76-W459 HydrophobicContact CB-CE3 4.24Å; H76-W459 HydrophobicContact CB-CZ3 4.4Å; H76-W459 AromaticContact CD2-CD1 3.64Å; H76-W459 AromaticContact CD2-CD2 3.17Å; H76-W459 AromaticContact CD2-CE2 3.46Å; H76-W459 VanDerWaalsContact CD2-CE2 3.46Å; H76-W459 AromaticContact CD2-CE3 3.56Å; H76-W459 AromaticContact CD2-CG 3.34Å; H76-W459 AromaticContact CD2-NE1 3.69Å; H76-W459 AromaticContact NE2-CD1 3.52Å; H76-W459 AromaticContact NE2-CD2 3.8Å; H76-W459 AromaticContact NE2-CE2 3.66Å; H76-W459 AromaticContact NE2-CG 3.73Å; H76-W459 AromaticContact NE2-NE1 3.46Å; H76-W459 PolarHBondContact NE2-NE1 3.09Å
77	G	95.9	Very high	95.3	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.147	C	C	.	.			trans	83	3.1	172.9	0	0	0	0	0	116.4	R72 C73	R72-G77 WeakPolarHBondContact CG-O 3.42Å; R72-G77 PolarHBondContact NH1-O 2.8Å; C73-G77 WeakPolarHBondContact O-CA 3.39Å; C73-G77 PolarHBondContact O-N 3.33Å
78	A	96.8	Very high	95.4	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.159	C	C	.	.			trans	-58.8	139.6	174	0	0	0	0	0	111.7	R72 C73 H76 F80 D89 F90 P91	R72-A78 CarbonylContact C-O 3.23Å; R72-A78 WeakPolarHBondContact CA-O 3.49Å; C73-A78 HydrophobicContact CB-CB 4.17Å; C73-A78 VanDerWaalsContact CB-O 3.31Å; C73-A78 WeakPolarHBondContact CB-O 3.29Å; C73-A78 PolarHBondContact N-O 3.04Å; H76-A78 PolarHBondContact O-N 3.38Å; A78-F80 HydrophobicContact CB-CE2 3.81Å; A78-F80 HydrophobicContact CB-CZ 3.8Å; A78-D89 WeakPolarHBondContact CA-O 3.23Å; A78-F90 WeakPolarHBondContact CA-O 3.31Å; A78-P91 WeakPolarHBondContact CB-O 3.47Å
79	C	96.7	Very high	95.9	Very high	3 Å²	3	22.8 Å²	22.8	2%	0.02	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	142.1	179.8	-69.4	0	0	0	0	112	V71 R72 I87 E88 D89	V71-C79 WeakPolarHBondContact O-CA 3.31Å; R72-C79 PolarHBondContact NE-SG 3.14Å; R72-C79 VanDerWaalsContact NE-SG 3.42Å; R72-C79 PolarHBondContact NH2-SG 2.92Å; C79-I87 CarbonylContact O-C 3.48Å; C79-I87 WeakPolarHBondContact O-CA 3.31Å; C79-E88 HydrophobicContact CB-CB 4.44Å; C79-E88 PolarHBondContact O-N 2.9Å; C79-D89 HydrophobicContact CB-CB 3.7Å; C79-D89 PolarHBondContact N-O 2.96Å; C79-D89 PolarHBondContact O-N 2.86Å
80	F	97.6	Very high	96	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	130.4	178.4	-52.7	-86.2	0	0	0	110.7	M50 P55 L61 H70 V71 A78 T82 D86 I87 L96	M50-F80 HydrophobicContact CE-CB 3.91Å; P55-F80 HydrophobicContact CG-CE1 3.85Å; P55-F80 HydrophobicContact CG-CZ 3.96Å; L61-F80 HydrophobicContact CD1-CD2 4.43Å; L61-F80 HydrophobicContact CD2-CD2 4.44Å; L61-F80 HydrophobicContact CD2-CE2 4.44Å; H70-F80 CarbonylContact C-O 3.53Å; H70-F80 WeakPolarHBondContact CA-O 3.28Å; H70-F80 VanDerWaalsContact CB-O 3.24Å; H70-F80 WeakPolarHBondContact CB-O 3.46Å; V71-F80 PolarHBondContact N-O 3.03Å; V71-F80 PolarHBondContact O-N 3.31Å; A78-F80 HydrophobicContact CB-CE2 3.81Å; A78-F80 HydrophobicContact CB-CZ 3.8Å; F80-T82 PolarHBondContact O-N 3.45Å; F80-D86 CarbonylContact C-O 3.57Å; F80-D86 VanDerWaalsContact CA-O 3.28Å; F80-D86 WeakPolarHBondContact CA-O 3.23Å; F80-I87 HydrophobicContact CD1-CB 4.03Å; F80-I87 HydrophobicContact CD1-CG1 4.34Å; F80-I87 HydrophobicContact CE1-CB 3.88Å; F80-I87 HydrophobicContact CE1-CD1 4.17Å; F80-I87 HydrophobicContact CE1-CG1 3.92Å; F80-I87 HydrophobicContact CZ-CG1 4.49Å; F80-L96 HydrophobicContact CB-CD1 3.68Å; F80-L96 HydrophobicContact CB-CG 4.41Å; F80-L96 HydrophobicContact CD1-CD1 3.69Å; F80-L96 HydrophobicContact CD1-CG 3.72Å; F80-L96 HydrophobicContact CD2-CD1 3.72Å; F80-L96 HydrophobicContact CE1-CD1 4.3Å; F80-L96 HydrophobicContact CE1-CG 4.15Å; F80-L96 HydrophobicContact CE2-CD1 4.35Å; F80-L96 HydrophobicContact CG-CD1 3.38Å; F80-L96 HydrophobicContact CG-CG 3.97Å
81	S	96.6	Very high	96	Very high	11 Å²	11	21.1 Å²	21.1	8%	0.077	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	131	174.5	-175.4	0	0	0	0	110.6	M50 A83 T84 G85 D86 E88	M50-S81 WeakPolarHBondContact CE-O 3.39Å; S81-A83 PolarHBondContact O-N 3.12Å; S81-A83 PolarHBondContact OG-N 3.44Å; S81-T84 VanDerWaalsContact CB-OG1 3.24Å; S81-T84 WeakPolarHBondContact CB-OG1 3.48Å; S81-T84 PolarHBondContact OG-N 3.39Å; S81-T84 PolarHBondContact OG-OG1 3.34Å; S81-G85 WeakPolarHBondContact O-CA 3.41Å; S81-G85 PolarHBondContact O-N 3.34Å; S81-D86 PolarHBondContact N-O 2.91Å; S81-E88 WeakPolarHBondContact CB-OE1 3.2Å
82	T	96.4	Very high	95.6	Very high	14 Å²	14	21.4 Å²	21.4	9%	0.086	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-22.9	173.6	59.3	0	0	0	0	112.2	I41 L66 G69 V71 F80	I41-T82 HydrophobicContact CD1-CG2 3.67Å; I41-T82 HydrophobicContact CG2-CG2 4.4Å; L66-T82 HydrophobicContact CD1-CG2 3.72Å; G69-T82 PolarHBondContact O-N 3.17Å; G69-T82 PolarHBondContact O-OG1 3.16Å; V71-T82 HydrophobicContact CG2-CG2 3.89Å; F80-T82 PolarHBondContact O-N 3.45Å
83	A	94.1	Very high	95.5	Very high	78 Å²	78	22 Å²	22	65%	0.645	12%	0.123	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-45.9	179.6	0	0	0	0	0	112.3	S81	S81-A83 PolarHBondContact O-N 3.12Å; S81-A83 PolarHBondContact OG-N 3.44Å
84	T	96	Very high	95.5	Very high	65 Å²	65	22.5 Å²	22.5	40%	0.399	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.4	-15.3	-171.5	65.7	0	0	0	0	113.9	S81 D86 T98 R122	S81-T84 VanDerWaalsContact CB-OG1 3.24Å; S81-T84 WeakPolarHBondContact CB-OG1 3.48Å; S81-T84 PolarHBondContact OG-N 3.39Å; S81-T84 PolarHBondContact OG-OG1 3.34Å; T84-D86 PolarHBondContact O-N 2.86Å; T84-D86 WeakPolarHBondContact OG1-CB 3.48Å; T84-D86 PolarHBondContact OG1-N 2.89Å; T84-T98 WeakPolarHBondContact O-CG2 3.33Å; T84-R122 PolarHBondContact O-NH2 2.87Å; T84-R122 VanDerWaalsContact O-NH2 3.08Å
85	G	97.2	Very high	95.5	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.126	C	C	.	.			trans	70.6	-0.5	-169.7	0	0	0	0	0	113.9	S81 S95 L96	S81-G85 WeakPolarHBondContact O-CA 3.41Å; S81-G85 PolarHBondContact O-N 3.34Å; G85-S95 WeakPolarHBondContact O-CB 3.22Å; G85-L96 WeakPolarHBondContact CA-O 3.41Å; G85-L96 PolarHBondContact O-N 3.13Å
86	D	96.9	Very high	95.6	Very high	32 Å²	32	18.2 Å²	18.2	17%	0.171	11%	0.11	C	C	.	.			trans	-60.8	139.7	179.9	-81.4	5.5	0	0	0	110.9	F80 S81 T84 E88 S95 R122 K124	F80-D86 CarbonylContact C-O 3.57Å; F80-D86 VanDerWaalsContact CA-O 3.28Å; F80-D86 WeakPolarHBondContact CA-O 3.23Å; S81-D86 PolarHBondContact N-O 2.91Å; T84-D86 PolarHBondContact O-N 2.86Å; T84-D86 WeakPolarHBondContact OG1-CB 3.48Å; T84-D86 PolarHBondContact OG1-N 2.89Å; D86-E88 PolarHBondContact O-N 3.03Å; D86-S95 WeakPolarHBondContact CA-OG 3.48Å; D86-R122 IonicContact OD1-CZ 2.66Å; D86-R122 IonicContact OD1-NH1 2.94Å; D86-R122 IonicContact OD1-NH2 2.86Å; D86-R122 PolarHBondContact OD1-NH2 3.22Å; D86-K124 VanDerWaalsContact OD2-CE 3.29Å; D86-K124 WeakPolarHBondContact OD2-CE 3.48Å; D86-K124 IonicContact OD2-NZ 3.84Å; D86-K124 PolarHBondContact OD2-NZ 3.22Å
87	I	95.9	Very high	95.8	Very high	21 Å²	21	18.1 Å²	18.1	11%	0.108	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	121.9	168.7	-171.7	171.8	0	0	0	109.4	C79 F80 D89 F90 S95	C79-I87 CarbonylContact O-C 3.48Å; C79-I87 WeakPolarHBondContact O-CA 3.31Å; F80-I87 HydrophobicContact CD1-CB 4.03Å; F80-I87 HydrophobicContact CD1-CG1 4.34Å; F80-I87 HydrophobicContact CE1-CB 3.88Å; F80-I87 HydrophobicContact CE1-CD1 4.17Å; F80-I87 HydrophobicContact CE1-CG1 3.92Å; F80-I87 HydrophobicContact CZ-CG1 4.49Å; I87-D89 VanDerWaalsContact CG1-O 3.28Å; I87-D89 WeakPolarHBondContact CG1-O 3.42Å; I87-F90 HydrophobicContact CD1-CD1 4.01Å; I87-F90 HydrophobicContact CD1-CE1 4.41Å; I87-S95 PolarHBondContact N-OG 3.06Å
88	E	93.5	Very high	95.8	Very high	85 Å²	85	21.2 Å²	21.2	40%	0.397	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	-30.9	-177	-68	-176.6	153.3	0	0	112.2	H70 C79 S81 D86 R439	H70-E88 WeakPolarHBondContact CB-OE2 3.45Å; H70-E88 IonicContact CG-OE2 2.82Å; C79-E88 HydrophobicContact CB-CB 4.44Å; C79-E88 PolarHBondContact O-N 2.9Å; S81-E88 WeakPolarHBondContact CB-OE1 3.2Å; D86-E88 PolarHBondContact O-N 3.03Å; E88-R439 PolarHBondContact O-NH1 3.42Å
89	D	93.8	Very high	95.9	Very high	8 Å²	8	22 Å²	22	4%	0.043	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	149.6	174	-162.2	6.4	0	0	0	109.8	R72 A78 C79 I87 Q432 T454	R72-D89 IonicContact CZ-OD2 3.78Å; R72-D89 IonicContact NH1-OD2 2.68Å; R72-D89 PolarHBondContact NH1-OD2 2.83Å; R72-D89 IonicContact NH2-OD2 3.77Å; A78-D89 WeakPolarHBondContact CA-O 3.23Å; C79-D89 HydrophobicContact CB-CB 3.7Å; C79-D89 PolarHBondContact N-O 2.96Å; C79-D89 PolarHBondContact O-N 2.86Å; I87-D89 VanDerWaalsContact CG1-O 3.28Å; I87-D89 WeakPolarHBondContact CG1-O 3.42Å; D89-Q432 PolarHBondContact OD1-NE2 2.8Å; D89-T454 PolarHBondContact OD1-OG1 2.79Å; D89-T454 PolarHBondContact OD2-OG1 2.83Å
90	F	94.1	Very high	96	Very high	13 Å²	13	27.1 Å²	27.1	6%	0.057	16%	0.156	C	C	.	.	S	Bend	trans	-90.6	170.7	-170.9	-66.7	-75.4	0	0	0	110.8	A78 I87 G92 V153 Q432 H435 V436 R439	A78-F90 WeakPolarHBondContact CA-O 3.31Å; I87-F90 HydrophobicContact CD1-CD1 4.01Å; I87-F90 HydrophobicContact CD1-CE1 4.41Å; F90-G92 VanDerWaalsContact CD1-O 3.28Å; F90-G92 WeakPolarHBondContact CD1-O 3.47Å; F90-V153 HydrophobicContact CE1-CG1 4.19Å; F90-V153 HydrophobicContact CE1-CG2 4.22Å; F90-V153 HydrophobicContact CZ-CG1 3.79Å; F90-Q432 HydrophobicContact CB-CG 3.89Å; F90-Q432 WeakPolarHBondContact O-CG 3.38Å; F90-H435 HydrophobicContact CB-CB 3.7Å; F90-H435 HydrophobicContact CD1-CB 3.33Å; F90-H435 AromaticContact CD1-CD2 3.63Å; F90-H435 AromaticContact CD1-CG 3.7Å; F90-H435 HydrophobicContact CD2-CB 3.62Å; F90-H435 HydrophobicContact CE1-CB 3.73Å; F90-H435 HydrophobicContact CE2-CB 3.97Å; F90-H435 HydrophobicContact CG-CB 3.25Å; F90-H435 AromaticContact CG-CG 3.96Å; F90-H435 HydrophobicContact CZ-CB 4.02Å; F90-V436 HydrophobicContact CD2-CB 4.43Å; F90-V436 HydrophobicContact CD2-CG2 3.63Å; F90-V436 HydrophobicContact CE2-CG2 4.32Å; F90-R439 HydrophobicContact CE2-CB 4.16Å; F90-R439 HydrophobicContact CZ-CB 4.21Å
91	P	94.2	Very high	96	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.166	C	C	.	.	S	Bend	cis	-84.7	157.7	8.1	35.6	-37.1	0	0	0	114.9	H76 A78 Q432 W459	H76-P91 HydrophobicContact CB-CG 3.72Å; H76-P91 WeakPolarHBondContact O-CD 3.24Å; A78-P91 WeakPolarHBondContact CB-O 3.47Å; P91-Q432 HydrophobicContact CB-CB 4.44Å; P91-W459 HydrophobicContact CB-CZ3 4.5Å; P91-W459 HydrophobicContact CG-CH2 4.33Å; P91-W459 HydrophobicContact CG-CZ3 3.95Å
92	G	90.6	Very high	96	Very high	6 Å²	6	31.8 Å²	31.8	6%	0.062	18%	0.176	C	C	.	.			trans	133	165.3	179.6	0	0	0	0	0	111.3	F90 H435	F90-G92 VanDerWaalsContact CD1-O 3.28Å; F90-G92 WeakPolarHBondContact CD1-O 3.47Å; G92-H435 PolarHBondContact O-CD2 2.98Å
93	L	94.4	Very high	96.1	Very high	23 Å²	23	34.8 Å²	34.8	12%	0.12	19%	0.194	C	C	.	.	S	Bend	trans	-119.1	-30.3	179.5	-57.5	172.2	0	0	0	112.1	L152 V153 L196 R197	L93-L152 HydrophobicContact CD1-CD2 3.56Å; L93-L152 HydrophobicContact CD2-CD2 4.12Å; L93-L152 HydrophobicContact CD2-CG 4.42Å; L93-V153 HydrophobicContact CD2-CG2 3.75Å; L93-L196 HydrophobicContact CD1-CB 3.87Å; L93-L196 HydrophobicContact CD1-CD2 4.44Å; L93-R197 VanDerWaalsContact CB-NH2 3.28Å; L93-R197 HydrophobicContact CD1-CG 4.36Å
94	D	96.7	Very high	96.2	Very high	11 Å²	11	35.5 Å²	35.5	6%	0.059	18%	0.184	C	C	.	.			trans	-98.5	146.9	-175.2	-62.8	-50.8	0	0	0	111.9	P55 K121 S123 R197	P55-D94 HydrophobicContact CB-CB 4.17Å; P55-D94 HydrophobicContact CG-CB 4.35Å; P55-D94 WeakPolarHBondContact CG-O 3.34Å; D94-K121 HydrophobicContact CB-CB 3.92Å; D94-S123 PolarHBondContact OD1-OG 3.01Å; D94-R197 IonicContact OD1-CZ 2.67Å; D94-R197 VanDerWaalsContact OD1-CZ 3.28Å; D94-R197 IonicContact OD1-NH1 3.86Å; D94-R197 PolarHBondContact OD1-NH1 3.45Å; D94-R197 IonicContact OD1-NH2 3.6Å; D94-R197 PolarHBondContact OD1-NH2 2.9Å; D94-R197 IonicContact OD2-CZ 3.68Å; D94-R197 IonicContact OD2-NH1 3.66Å; D94-R197 PolarHBondContact OD2-NH1 2.86Å
95	S	97.8	Very high	96	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.007	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-84.5	176.5	168.8	-61.2	0	0	0	0	110.3	G85 D86 I87 K121 R122	G85-S95 WeakPolarHBondContact O-CB 3.22Å; D86-S95 WeakPolarHBondContact CA-OG 3.48Å; I87-S95 PolarHBondContact N-OG 3.06Å; S95-K121 CarbonylContact O-C 3.55Å; S95-K121 WeakPolarHBondContact O-CA 3.38Å; S95-R122 CarbonylContact C-O 3.57Å; S95-R122 WeakPolarHBondContact CA-O 3.32Å; S95-R122 WeakPolarHBondContact CB-O 3.48Å; S95-R122 PolarHBondContact N-O 2.83Å; S95-R122 PolarHBondContact O-N 3.12Å
96	L	98.1	Very high	95.9	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-100.6	138.8	177.2	-65.7	174.1	0	0	0	110.2	M50 A51 K53 P55 L61 F80 G85 Q120 R122	M50-L96 HydrophobicContact CE-CB 3.81Å; M50-L96 HydrophobicContact CE-CD1 3.43Å; M50-L96 VanDerWaalsContact CE-CD1 3.43Å; M50-L96 HydrophobicContact CE-CG 4.23Å; A51-L96 HydrophobicContact CB-CB 4.27Å; A51-L96 HydrophobicContact CB-CD2 3.84Å; K53-L96 WeakPolarHBondContact O-CD2 3.25Å; P55-L96 HydrophobicContact CB-CD2 4.46Å; P55-L96 HydrophobicContact CG-CD2 4.05Å; L61-L96 HydrophobicContact CD1-CD1 3.34Å; F80-L96 HydrophobicContact CB-CD1 3.68Å; F80-L96 HydrophobicContact CB-CG 4.41Å; F80-L96 HydrophobicContact CD1-CD1 3.69Å; F80-L96 HydrophobicContact CD1-CG 3.72Å; F80-L96 HydrophobicContact CD2-CD1 3.72Å; F80-L96 HydrophobicContact CE1-CD1 4.3Å; F80-L96 HydrophobicContact CE1-CG 4.15Å; F80-L96 HydrophobicContact CE2-CD1 4.35Å; F80-L96 HydrophobicContact CG-CD1 3.38Å; F80-L96 HydrophobicContact CG-CG 3.97Å; G85-L96 WeakPolarHBondContact CA-O 3.41Å; G85-L96 PolarHBondContact O-N 3.13Å; L96-Q120 VanDerWaalsContact CD2-O 3.31Å; L96-Q120 WeakPolarHBondContact CD2-O 3.24Å; L96-R122 PolarHBondContact O-NE 2.85Å
97	P	97.6	Very high	95.9	Very high	9 Å²	9	48.8 Å²	48.8	6%	0.058	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-60.8	139.2	163.4	-19.8	29.6	0	0	0	110.7	M50 A51 F99 A116 R122	M50-P97 CarbonylContact C-O 3.54Å; M50-P97 VanDerWaalsContact CA-O 3.28Å; M50-P97 WeakPolarHBondContact CA-O 3.39Å; A51-P97 HydrophobicContact CB-CG 4.49Å; A51-P97 PolarHBondContact N-O 2.82Å; P97-F99 HydrophobicContact CB-CE1 4.08Å; P97-F99 HydrophobicContact CB-CZ 4.18Å; P97-A116 HydrophobicContact CB-CB 3.83Å; P97-A116 HydrophobicContact CG-CB 4.03Å; P97-R122 HydrophobicContact CG-CB 4.12Å
98	T	97.8	Very high	96	Very high	65 Å²	65	47.8 Å²	47.8	40%	0.399	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	156.1	167.6	57.4	0	0	0	0	110.1	A49 M50 T84	A49-T98 CarbonylContact O-C 3.58Å; A49-T98 WeakPolarHBondContact O-CA 3.44Å; M50-T98 HydrophobicContact CB-CG2 4.43Å; T84-T98 WeakPolarHBondContact O-CG2 3.33Å
99	F	97.9	Very high	96.3	Very high	18 Å²	18	44.6 Å²	44.6	8%	0.079	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	147.8	-177.1	-51.1	-57	0	0	0	110.1	A38 A49 M50 P97 V101 I110 A112 A116 L117	A38-F99 HydrophobicContact CB-CD2 3.73Å; A38-F99 HydrophobicContact CB-CE2 3.75Å; A49-F99 HydrophobicContact CB-CB 4.04Å; A49-F99 HydrophobicContact CB-CD2 4.35Å; A49-F99 PolarHBondContact O-N 2.82Å; M50-F99 VanDerWaalsContact C-CE2 3.41Å; M50-F99 WeakPolarHBondContact O-CE2 3.3Å; P97-F99 HydrophobicContact CB-CE1 4.08Å; P97-F99 HydrophobicContact CB-CZ 4.18Å; F99-V101 PolarHBondContact O-N 2.8Å; F99-I110 HydrophobicContact CB-CG2 3.7Å; F99-I110 HydrophobicContact CG-CG2 4.47Å; F99-A112 HydrophobicContact CB-CB 4.02Å; F99-A112 HydrophobicContact CD1-CB 3.36Å; F99-A112 HydrophobicContact CD2-CB 4.37Å; F99-A112 HydrophobicContact CE1-CB 3.86Å; F99-A112 HydrophobicContact CG-CB 3.66Å; F99-A116 HydrophobicContact CE1-CB 4Å; F99-L117 HydrophobicContact CD2-CD2 4.39Å; F99-L117 HydrophobicContact CE1-CD2 4.14Å; F99-L117 HydrophobicContact CE1-CG 4.09Å; F99-L117 HydrophobicContact CE2-CD2 3.62Å; F99-L117 HydrophobicContact CE2-CG 4.45Å; F99-L117 HydrophobicContact CZ-CD2 3.48Å; F99-L117 VanDerWaalsContact CZ-CD2 3.48Å; F99-L117 HydrophobicContact CZ-CG 3.86Å
100	Q	97.8	Very high	96.5	Very high	109 Å²	109	44.2 Å²	44.2	51%	0.509	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	129.5	179.7	-176.8	179.1	29.4	0	0	109.1	I110 R111	Q100-I110 CarbonylContact O-C 3.49Å; Q100-I110 WeakPolarHBondContact O-CA 3.35Å; Q100-R111 HydrophobicContact CB-CB 4.33Å; Q100-R111 PolarHBondContact N-O 3Å; Q100-R111 PolarHBondContact O-N 2.97Å
101	V	97.9	Very high	96.6	Very high	34 Å²	34	45.5 Å²	45.5	21%	0.206	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	137.9	174.6	-169.8	0	0	0	0	109.4	L40 F47 A49 F99 V108 I109 I110	L40-V101 HydrophobicContact CD1-CG1 4.43Å; F47-V101 HydrophobicContact CB-CB 4.5Å; F47-V101 HydrophobicContact CB-CG1 3.69Å; A49-V101 HydrophobicContact CB-CG2 3.35Å; F99-V101 PolarHBondContact O-N 2.8Å; V101-V108 HydrophobicContact CG1-CG1 3.65Å; V101-I109 WeakPolarHBondContact CA-O 3.4Å; V101-I110 HydrophobicContact CG2-CG1 4.33Å
102	R	97.6	Very high	96.8	Very high	76 Å²	76	45.6 Å²	45.6	29%	0.287	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	155.9	170.9	66.7	-170.6	-163.2	-107.5	0.3	110.8	E14 E104 I109	E14-R102 VanDerWaalsContact CD-NH2 3.33Å; E14-R102 IonicContact OE1-CZ 3.25Å; E14-R102 IonicContact OE1-NH1 3.88Å; E14-R102 PolarHBondContact OE1-NH1 3.43Å; E14-R102 IonicContact OE1-NH2 3.88Å; E14-R102 PolarHBondContact OE1-NH2 3.42Å; E14-R102 IonicContact OE2-CZ 3.58Å; E14-R102 IonicContact OE2-NH1 3.83Å; E14-R102 PolarHBondContact OE2-NH1 2.89Å; E14-R102 IonicContact OE2-NH2 2.71Å; R102-E104 IonicContact CZ-OE1 3.37Å; R102-E104 IonicContact NE-OE1 3.13Å; R102-E104 PolarHBondContact NE-OE1 2.74Å; R102-E104 IonicContact NH2-OE1 2.65Å; R102-E104 PolarHBondContact NH2-OE1 2.9Å; R102-E104 VanDerWaalsContact NH2-OE1 3.13Å; R102-I109 HydrophobicContact CG-CB 4.03Å; R102-I109 PolarHBondContact N-O 2.85Å; R102-I109 PolarHBondContact O-N 3.12Å
103	V	97.4	Very high	97.1	Very high	77 Å²	77	47.1 Å²	47.1	47%	0.467	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	122.9	177.8	-179.5	0	0	0	0	108.9	V20 F47 K107 V108	V20-V103 HydrophobicContact CG2-CG1 3.49Å; V20-V103 VanDerWaalsContact CG2-CG1 3.49Å; V20-V103 HydrophobicContact CG2-CG2 4.29Å; F47-V103 HydrophobicContact CD2-CG2 4.07Å; F47-V103 HydrophobicContact CE2-CG2 4.39Å; V103-K107 CarbonylContact C-O 3.39Å; V103-K107 VanDerWaalsContact CA-O 3.3Å; V103-K107 WeakPolarHBondContact CA-O 3.33Å; V103-V108 HydrophobicContact CG2-CG2 4.45Å
104	E	96.5	Very high	97.1	Very high	92 Å²	92	49 Å²	49	43%	0.43	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	118.9	177.3	-70.5	-179.1	-157.7	0	0	109.9	R102 D106 K107 I109	R102-E104 IonicContact CZ-OE1 3.37Å; R102-E104 IonicContact NE-OE1 3.13Å; R102-E104 PolarHBondContact NE-OE1 2.74Å; R102-E104 IonicContact NH2-OE1 2.65Å; R102-E104 PolarHBondContact NH2-OE1 2.9Å; R102-E104 VanDerWaalsContact NH2-OE1 3.13Å; E104-D106 VanDerWaalsContact C-N 3.28Å; E104-D106 PolarHBondContact O-N 3.15Å; E104-K107 PolarHBondContact N-O 2.78Å; E104-K107 WeakPolarHBondContact O-CB 3.36Å; E104-K107 PolarHBondContact O-N 2.85Å; E104-I109 HydrophobicContact CB-CD1 3.95Å; E104-I109 HydrophobicContact CG-CD1 4.01Å
105	K	91.8	Very high	97	Very high	209 Å²	209	55.5 Å²	55.5	91%	0.909	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	46	51.4	176	-57.3	-179.6	-177.9	178.4	0	112.5	K107	K105-K107 VanDerWaalsContact C-N 3.28Å; K105-K107 PolarHBondContact O-N 3.29Å
106	D	95.1	Very high	96.9	Very high	70 Å²	70	56.4 Å²	56.4	37%	0.374	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.6	0.3	-178	-171.6	49.8	0	0	0	116.4	H19 V20 E104	H19-D106 CarbonylContact C-O 3.49Å; H19-D106 WeakPolarHBondContact CA-O 3.2Å; H19-D106 IonicContact CE1-OD2 3.96Å; H19-D106 IonicContact CG-OD2 3.67Å; H19-D106 IonicContact ND1-OD2 2.89Å; H19-D106 PolarHBondContact ND1-OD2 2.92Å; V20-D106 WeakPolarHBondContact CB-OD1 3.33Å; V20-D106 PolarHBondContact N-O 3.42Å; V20-D106 PolarHBondContact N-OD1 2.79Å; E104-D106 VanDerWaalsContact C-N 3.28Å; E104-D106 PolarHBondContact O-N 3.15Å
107	K	97.7	Very high	96.7	Very high	98 Å²	98	56.6 Å²	56.6	43%	0.426	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	132.9	175.7	-63.2	-179	178.1	-175.9	0	111.5	V103 E104 K105	V103-K107 CarbonylContact C-O 3.39Å; V103-K107 VanDerWaalsContact CA-O 3.3Å; V103-K107 WeakPolarHBondContact CA-O 3.33Å; E104-K107 PolarHBondContact N-O 2.78Å; E104-K107 WeakPolarHBondContact O-CB 3.36Å; E104-K107 PolarHBondContact O-N 2.85Å; K105-K107 VanDerWaalsContact C-N 3.28Å; K105-K107 PolarHBondContact O-N 3.29Å
108	V	98.3	Very high	96.5	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	120	170.5	-174.7	0	0	0	0	108.3	S16 V17 C18 V20 L40 F47 V101 V103	S16-V108 WeakPolarHBondContact CA-O 3.48Å; V17-V108 HydrophobicContact CG2-CB 4.22Å; V17-V108 HydrophobicContact CG2-CG1 4.11Å; V17-V108 WeakPolarHBondContact CG2-O 3.48Å; V17-V108 PolarHBondContact N-O 3.35Å; C18-V108 PolarHBondContact O-N 3.41Å; V20-V108 HydrophobicContact CG2-CG2 4.1Å; L40-V108 HydrophobicContact CD1-CG1 3.92Å; L40-V108 HydrophobicContact CD2-CG1 4.17Å; F47-V108 HydrophobicContact CD1-CG1 4.11Å; F47-V108 HydrophobicContact CD1-CG2 4.14Å; F47-V108 HydrophobicContact CD2-CG2 4.31Å; F47-V108 HydrophobicContact CE1-CG1 4.49Å; F47-V108 HydrophobicContact CE1-CG2 3.75Å; F47-V108 HydrophobicContact CE2-CG2 3.96Å; F47-V108 HydrophobicContact CG-CG1 4.25Å; F47-V108 HydrophobicContact CG-CG2 4.38Å; F47-V108 HydrophobicContact CZ-CG2 3.66Å; V101-V108 HydrophobicContact CG1-CG1 3.65Å; V103-V108 HydrophobicContact CG2-CG2 4.45Å
109	I	98.4	Very high	96.3	Very high	17 Å²	17	62.4 Å²	62.4	9%	0.087	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	129.7	-178.1	-58.8	173.4	0	0	0	108.6	E14 A15 V101 R102 E104	E14-I109 HydrophobicContact CG-CG2 3.55Å; A15-I109 WeakPolarHBondContact O-CA 3.48Å; V101-I109 WeakPolarHBondContact CA-O 3.4Å; R102-I109 HydrophobicContact CG-CB 4.03Å; R102-I109 PolarHBondContact N-O 2.85Å; R102-I109 PolarHBondContact O-N 3.12Å; E104-I109 HydrophobicContact CB-CD1 3.95Å; E104-I109 HydrophobicContact CG-CD1 4.01Å
110	I	98.4	Very high	96.2	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	131.4	173.5	-57.8	178.9	0	0	0	109	E14 A15 V17 V31 L33 A38 L40 A49 F99 Q100 V101 A112	E14-I110 VanDerWaalsContact CA-O 3.31Å; E14-I110 WeakPolarHBondContact CA-O 3.4Å; A15-I110 PolarHBondContact N-O 2.86Å; A15-I110 PolarHBondContact O-N 3.22Å; V17-I110 HydrophobicContact CG1-CB 4.49Å; V17-I110 HydrophobicContact CG1-CD1 4.04Å; V17-I110 HydrophobicContact CG1-CG1 4.21Å; V17-I110 HydrophobicContact CG2-CD1 3.9Å; V17-I110 HydrophobicContact CG2-CG1 3.93Å; V31-I110 HydrophobicContact CG2-CD1 3.6Å; L33-I110 HydrophobicContact CD2-CB 3.92Å; L33-I110 HydrophobicContact CD2-CG2 3.75Å; A38-I110 HydrophobicContact CB-CD1 4.46Å; L40-I110 HydrophobicContact CD1-CD1 4.15Å; A49-I110 HydrophobicContact CB-CD1 3.75Å; A49-I110 HydrophobicContact CB-CG1 4.19Å; A49-I110 HydrophobicContact CB-CG2 4.19Å; F99-I110 HydrophobicContact CB-CG2 3.7Å; F99-I110 HydrophobicContact CG-CG2 4.47Å; Q100-I110 CarbonylContact O-C 3.49Å; Q100-I110 WeakPolarHBondContact O-CA 3.35Å; V101-I110 HydrophobicContact CG2-CG1 4.33Å; I110-A112 HydrophobicContact CG2-CB 4.36Å
111	R	97.5	Very high	96.1	Very high	41 Å²	41	62.4 Å²	62.4	16%	0.155	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	122.6	166.4	-177.8	-178.3	175.6	-148.5	1.3	109.8	Y12 V13 E14 Q100	Y12-R111 HydrophobicContact CD1-CG 4.21Å; V13-R111 WeakPolarHBondContact O-CA 3.47Å; E14-R111 HydrophobicContact CG-CB 4.27Å; Q100-R111 HydrophobicContact CB-CB 4.33Å; Q100-R111 PolarHBondContact N-O 3Å; Q100-R111 PolarHBondContact O-N 2.97Å
112	A	97.3	Very high	96	Very high	1 Å²	1	64.3 Å²	64.3	1%	0.008	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	146	-171.8	0	0	0	0	0	112.1	Y12 V13 L33 F99 I110 L117	Y12-A112 CarbonylContact C-O 3.5Å; Y12-A112 VanDerWaalsContact CA-O 3.28Å; Y12-A112 WeakPolarHBondContact CA-O 3.23Å; V13-A112 HydrophobicContact CG1-CB 4.22Å; V13-A112 PolarHBondContact N-O 2.79Å; V13-A112 PolarHBondContact O-N 2.78Å; L33-A112 HydrophobicContact CD2-CB 4.03Å; F99-A112 HydrophobicContact CB-CB 4.02Å; F99-A112 HydrophobicContact CD1-CB 3.36Å; F99-A112 HydrophobicContact CD2-CB 4.37Å; F99-A112 HydrophobicContact CE1-CB 3.86Å; F99-A112 HydrophobicContact CG-CB 3.66Å; I110-A112 HydrophobicContact CG2-CB 4.36Å; A112-L117 HydrophobicContact CB-CD1 3.59Å; A112-L117 HydrophobicContact CB-CD2 4.24Å; A112-L117 HydrophobicContact CB-CG 3.84Å
113	N	96.4	Very high	95.8	Very high	38 Å²	38	63.1 Å²	63.1	20%	0.203	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	131.3	169.6	175	-76.2	0	0	0	109.5	Y12 Q115 A116 L117	Y12-N113 HydrophobicContact CD1-CB 4.22Å; Y12-N113 HydrophobicContact CE1-CB 3.85Å; N113-Q115 PolarHBondContact O-N 3.03Å; N113-Q115 WeakPolarHBondContact OD1-CB 3.41Å; N113-Q115 PolarHBondContact OD1-N 3.15Å; N113-A116 HydrophobicContact CB-CB 4.03Å; N113-A116 PolarHBondContact O-N 2.81Å; N113-A116 PolarHBondContact OD1-N 2.88Å; N113-L117 PolarHBondContact O-N 2.86Å
114	K	95.8	Very high	95.6	Very high	63 Å²	63	61.8 Å²	61.8	27%	0.274	30%	0.295	S	S	.	.	H	α-helix	trans	-64.6	-39.5	-174.1	-64.9	-179.9	-171.7	161.3	0	112.8	S9 R10 E11 Y12 V13 L117 Q118	S9-K114 PolarHBondContact O-NZ 3Å; R10-K114 WeakPolarHBondContact O-CD 3.3Å; R10-K114 WeakPolarHBondContact O-CE 3.38Å; R10-K114 PolarHBondContact O-NZ 2.86Å; E11-K114 WeakPolarHBondContact O-CG 3.47Å; E11-K114 PolarHBondContact O-N 3.03Å; Y12-K114 VanDerWaalsContact O-CE 3.26Å; Y12-K114 WeakPolarHBondContact O-CE 3.38Å; V13-K114 HydrophobicContact CB-CG 4.31Å; K114-L117 WeakPolarHBondContact O-CB 3.43Å; K114-L117 PolarHBondContact O-N 2.89Å; K114-Q118 WeakPolarHBondContact O-CG 3.24Å; K114-Q118 PolarHBondContact O-N 3.03Å
115	Q	94.6	Very high	95.5	Very high	148 Å²	148	62.6 Å²	62.6	69%	0.692	31%	0.308	S	S	*	.	H	α-helix	trans	-68.5	-38.5	177.9	-172.9	-177.1	10.3	0	0	111.5	N113 L117 Q118 S119	N113-Q115 PolarHBondContact O-N 3.03Å; N113-Q115 WeakPolarHBondContact OD1-CB 3.41Å; N113-Q115 PolarHBondContact OD1-N 3.15Å; Q115-L117 VanDerWaalsContact C-N 3.34Å; Q115-Q118 PolarHBondContact O-N 3.14Å; Q115-S119 WeakPolarHBondContact O-CB 3.45Å; Q115-S119 PolarHBondContact O-N 2.88Å; Q115-S119 PolarHBondContact O-OG 2.67Å
116	A	95.3	Very high	95.7	Very high	20 Å²	20	54 Å²	54	17%	0.165	27%	0.271	C	S	.	.	H	α-helix	trans	-63.7	-39.1	173.8	0	0	0	0	0	112	P97 F99 N113 Q118 S119 Q120	P97-A116 HydrophobicContact CB-CB 3.83Å; P97-A116 HydrophobicContact CG-CB 4.03Å; F99-A116 HydrophobicContact CE1-CB 4Å; N113-A116 HydrophobicContact CB-CB 4.03Å; N113-A116 PolarHBondContact O-N 2.81Å; N113-A116 PolarHBondContact OD1-N 2.88Å; A116-Q118 VanDerWaalsContact C-N 3.29Å; A116-Q118 PolarHBondContact O-N 3.37Å; A116-S119 PolarHBondContact O-OG 2.8Å; A116-Q120 PolarHBondContact O-N 3.02Å; A116-Q120 VanDerWaalsContact O-N 3.1Å
117	L	94.3	Very high	95.7	Very high	4 Å²	4	52 Å²	52	2%	0.021	26%	0.263	C	S	.	.	H	α-helix	trans	-64.9	-29.2	172	-79.3	171.2	0	0	0	113.3	V13 L33 R37 A38 F99 A112 N113 K114 Q115 Q120	V13-L117 HydrophobicContact CG1-CD1 3.53Å; L33-L117 HydrophobicContact CB-CD1 4.26Å; L33-L117 HydrophobicContact CD1-CD1 4.47Å; L33-L117 HydrophobicContact CD1-CD2 4.08Å; L33-L117 HydrophobicContact CD2-CD1 4.43Å; R37-L117 WeakPolarHBondContact O-CD2 3.04Å; A38-L117 HydrophobicContact CB-CD2 4.22Å; F99-L117 HydrophobicContact CD2-CD2 4.39Å; F99-L117 HydrophobicContact CE1-CD2 4.14Å; F99-L117 HydrophobicContact CE1-CG 4.09Å; F99-L117 HydrophobicContact CE2-CD2 3.62Å; F99-L117 HydrophobicContact CE2-CG 4.45Å; F99-L117 HydrophobicContact CZ-CD2 3.48Å; F99-L117 VanDerWaalsContact CZ-CD2 3.48Å; F99-L117 HydrophobicContact CZ-CG 3.86Å; A112-L117 HydrophobicContact CB-CD1 3.59Å; A112-L117 HydrophobicContact CB-CD2 4.24Å; A112-L117 HydrophobicContact CB-CG 3.84Å; N113-L117 PolarHBondContact O-N 2.86Å; K114-L117 WeakPolarHBondContact O-CB 3.43Å; K114-L117 PolarHBondContact O-N 2.89Å; Q115-L117 VanDerWaalsContact C-N 3.34Å; L117-Q120 PolarHBondContact O-NE2 2.89Å
118	Q	93.4	Very high	95.4	Very high	141 Å²	141	53.7 Å²	53.7	66%	0.659	27%	0.266	S	S	*	.	H	α-helix	trans	-83.1	-45	178.2	-72.3	174.1	-12.4	0	0	112	K114 Q115 A116	K114-Q118 WeakPolarHBondContact O-CG 3.24Å; K114-Q118 PolarHBondContact O-N 3.03Å; Q115-Q118 PolarHBondContact O-N 3.14Å; A116-Q118 VanDerWaalsContact C-N 3.29Å; A116-Q118 PolarHBondContact O-N 3.37Å
119	S	93.8	Very high	95	Very high	55 Å²	55	54.8 Å²	54.8	39%	0.385	27%	0.274	S	S	.	.	H	α-helix	trans	-70.9	-31.1	-176.8	58	0	0	0	0	113.6	Q115 A116 K121	Q115-S119 WeakPolarHBondContact O-CB 3.45Å; Q115-S119 PolarHBondContact O-N 2.88Å; Q115-S119 PolarHBondContact O-OG 2.67Å; A116-S119 PolarHBondContact O-OG 2.8Å; S119-K121 PolarHBondContact O-N 2.87Å; S119-K121 PolarHBondContact OG-O 3.09Å
120	Q	95.4	Very high	94.3	Very high	16 Å²	16	58.1 Å²	58.1	8%	0.075	30%	0.299	C	S	.	.			trans	56.7	15.2	-179.1	-62.3	-72.6	-54.6	0	0	114.3	R37 A51 H52 K53 L96 A116 L117	R37-Q120 PolarHBondContact O-NE2 3.5Å; R37-Q120 VanDerWaalsContact O-NE2 3.16Å; A51-Q120 HydrophobicContact CB-CB 4.32Å; A51-Q120 VanDerWaalsContact CB-OE1 3.27Å; H52-Q120 PolarHBondContact CE1-OE1 3.41Å; H52-Q120 VanDerWaalsContact ND1-CD 3.28Å; H52-Q120 PolarHBondContact ND1-NE2 3.09Å; H52-Q120 PolarHBondContact ND1-OE1 3.28Å; K53-Q120 HydrophobicContact CB-CB 4.47Å; L96-Q120 VanDerWaalsContact CD2-O 3.31Å; L96-Q120 WeakPolarHBondContact CD2-O 3.24Å; A116-Q120 PolarHBondContact O-N 3.02Å; A116-Q120 VanDerWaalsContact O-N 3.1Å; L117-Q120 PolarHBondContact O-NE2 2.89Å
121	K	96	Very high	93.1	Very high	111 Å²	111	60.7 Å²	60.7	48%	0.483	32%	0.32	S	S	.	.			trans	-149	151.2	-177.7	71.7	-175.5	-176.5	169.2	0	110.9	P55 D94 S95 S119	P55-K121 HydrophobicContact CB-CB 3.68Å; D94-K121 HydrophobicContact CB-CB 3.92Å; S95-K121 CarbonylContact O-C 3.55Å; S95-K121 WeakPolarHBondContact O-CA 3.38Å; S119-K121 PolarHBondContact O-N 2.87Å; S119-K121 PolarHBondContact OG-O 3.09Å
122	R	95.5	Very high	91.4	Very high	73 Å²	73	65 Å²	65	28%	0.275	35%	0.351	S	S	.	.	B	Isolated β-bridge	trans	-142.8	126.2	179.9	176	-179.2	66	81.6	-5.4	108.8	T84 D86 S95 L96 P97	T84-R122 PolarHBondContact O-NH2 2.87Å; T84-R122 VanDerWaalsContact O-NH2 3.08Å; D86-R122 IonicContact OD1-CZ 2.66Å; D86-R122 IonicContact OD1-NH1 2.94Å; D86-R122 IonicContact OD1-NH2 2.86Å; D86-R122 PolarHBondContact OD1-NH2 3.22Å; S95-R122 CarbonylContact C-O 3.57Å; S95-R122 WeakPolarHBondContact CA-O 3.32Å; S95-R122 WeakPolarHBondContact CB-O 3.48Å; S95-R122 PolarHBondContact N-O 2.83Å; S95-R122 PolarHBondContact O-N 3.12Å; L96-R122 PolarHBondContact O-NE 2.85Å; P97-R122 HydrophobicContact CG-CB 4.12Å
123	S	93.9	Very high	89.6	Confident	51 Å²	51	68.5 Å²	68.5	36%	0.357	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-78	141.9	167.2	-50.8	0	0	0	0	109.2	D94	D94-S123 PolarHBondContact OD1-OG 3.01Å
124	K	93.2	Very high	87.5	Confident	50 Å²	50	73.4 Å²	73.4	22%	0.217	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-66.1	147.4	174.3	-70.9	-173.9	62.3	157.5	0	109.5	D86 M126 Q160	D86-K124 VanDerWaalsContact OD2-CE 3.29Å; D86-K124 WeakPolarHBondContact OD2-CE 3.48Å; D86-K124 IonicContact OD2-NZ 3.84Å; D86-K124 PolarHBondContact OD2-NZ 3.22Å; K124-M126 PolarHBondContact O-N 2.88Å; K124-Q160 HydrophobicContact CB-CG 3.9Å
125	P	93.6	Very high	85.6	Confident	108 Å²	108	74.8 Å²	74.8	70%	0.701	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-52.5	138.3	171.8	-25.1	34.5	0	0	0	110.6
126	M	95.5	Very high	83.9	Confident	29 Å²	29	73 Å²	73	14%	0.143	41%	0.408	C	S	.	.			trans	-127.6	137.4	-177.7	-83	-174.9	-76.4	0	0	109.6	K124 E156 R159 Q160 F201 H205	K124-M126 PolarHBondContact O-N 2.88Å; M126-E156 HydrophobicContact SD-CB 4.34Å; M126-E156 HydrophobicContact SD-CG 4.28Å; M126-R159 HydrophobicContact CB-CB 3.89Å; M126-R159 HydrophobicContact CG-CB 3.77Å; M126-R159 HydrophobicContact SD-CB 3.91Å; M126-Q160 HydrophobicContact CG-CB 4.43Å; M126-Q160 HydrophobicContact CG-CG 3.54Å; M126-Q160 HydrophobicContact SD-CG 4.22Å; M126-F201 HydrophobicContact CE-CE1 4.21Å; M126-F201 HydrophobicContact CE-CE2 3.81Å; M126-F201 HydrophobicContact CE-CZ 3.39Å; M126-F201 HydrophobicContact SD-CZ 4.5Å; M126-H205 WeakPolarHBondContact CE-CD2 3.41Å; M126-H205 WeakPolarHBondContact CE-NE2 3.45Å; M126-H205 HydrophobicContact SD-CB 4.37Å
127	S	94.8	Very high	82.5	Confident	27 Å²	27	76.1 Å²	76.1	19%	0.189	43%	0.425	C	S	.	.			trans	-67.8	163.2	168.4	56.1	0	0	0	0	110.8	R159 G162 F163	S127-R159 WeakPolarHBondContact CB-O 3.37Å; S127-R159 PolarHBondContact N-O 3.11Å; S127-R159 WeakPolarHBondContact O-CD 3.32Å; S127-R159 PolarHBondContact OG-O 3.3Å; S127-G162 WeakPolarHBondContact OG-CA 3.47Å; S127-F163 PolarHBondContact OG-N 3.48Å; S127-F163 PolarHBondContact OG-O 3.27Å; S127-F163 VanDerWaalsContact OG-O 3.08Å
128	R	91.1	Very high	81.9	Confident	134 Å²	134	77 Å²	77	51%	0.506	43%	0.434	S	S	.	.			trans	-114.6	163.5	175.2	-73.9	-162.6	74	151.8	9.6	110.2	S130 D204 D206	R128-S130 PolarHBondContact O-N 3.39Å; R128-D204 VanDerWaalsContact CZ-O 3.27Å; R128-D204 PolarHBondContact NE-O 3.43Å; R128-D206 WeakPolarHBondContact CA-OD2 3.41Å; R128-D206 WeakPolarHBondContact CB-OD2 3.44Å; R128-D206 IonicContact CZ-OD1 2.96Å; R128-D206 IonicContact CZ-OD2 3.59Å; R128-D206 IonicContact NE-OD1 3.94Å; R128-D206 IonicContact NE-OD2 3.57Å; R128-D206 PolarHBondContact NE-OD2 3.39Å; R128-D206 IonicContact NH2-OD1 2.79Å; R128-D206 PolarHBondContact NH2-OD1 2.93Å; R128-D206 IonicContact NH2-OD2 3.62Å
129	C	90.4	Very high	81.8	Confident	23 Å²	23	73.7 Å²	73.7	16%	0.155	42%	0.418	C	S	.	.			trans	-63.6	127.2	174.5	-169.4	0	0	0	0	109.6	T164 D206	C129-T164 CarbonylContact C-O 3.57Å; C129-T164 VanDerWaalsContact CA-O 3.22Å; C129-T164 WeakPolarHBondContact CA-O 3.49Å; C129-D206 HydrophobicContact CB-CB 3.63Å; C129-D206 PolarHBondContact N-OD2 3.19Å
130	S	84.3	Confident	81.6	Confident	88 Å²	88	71.1 Å²	71.1	62%	0.615	40%	0.4	S	S	*	.			trans	-90.6	-17.8	-179.1	57.6	0	0	0	0	113.4	R128 T164	R128-S130 PolarHBondContact O-N 3.39Å; S130-T164 PolarHBondContact N-O 3.49Å; S130-T164 VanDerWaalsContact OG-CB 3.32Å; S130-T164 WeakPolarHBondContact OG-CB 3.47Å; S130-T164 PolarHBondContact OG-O 2.68Å; S130-T164 PolarHBondContact OG-OG1 3.34Å; S130-T164 VanDerWaalsContact OG-OG1 3.12Å
131	A	72.6	Confident	81.5	Confident	53 Å²	53	72.6 Å²	72.6	44%	0.438	41%	0.407	S	S	.	.	S	Bend	trans	-87	142.4	179.7	0	0	0	0	0	110.9	I133	A131-I133 PolarHBondContact O-N 3Å
132	V	61.8	Low	81.6	Confident	132 Å²	132	67.4 Å²	67.4	80%	0.8	38%	0.384	S	S	*	.			trans	-58.5	114.7	162.5	-179.1	0	0	0	0	106.3	N134	V132-N134 PolarHBondContact O-N 3.06Å
133	I	59.5	Low	81.8	Confident	75 Å²	75	63.9 Å²	63.9	39%	0.385	37%	0.371	S	S	.	.			trans	-68.9	85	175.8	-54.1	173.6	0	0	0	106.3	A131 S135	A131-I133 PolarHBondContact O-N 3Å; I133-S135 VanDerWaalsContact C-N 3.27Å; I133-S135 PolarHBondContact O-N 3.33Å
134	N	53.8	Low	82	Confident	140 Å²	140	61.5 Å²	61.5	75%	0.749	35%	0.354	S	S	*	.			trans	-60.7	106.6	153.5	-90.7	-10.2	0	0	0	104	V132 N136	V132-N134 PolarHBondContact O-N 3.06Å; N134-N136 PolarHBondContact O-N 2.89Å
135	S	55.3	Low	82.3	Confident	93 Å²	93	59.6 Å²	59.6	65%	0.65	35%	0.346	S	S	*	.			trans	-66.2	39	-175.7	52.6	0	0	0	0	112.6	I133 T137	I133-S135 VanDerWaalsContact C-N 3.27Å; I133-S135 PolarHBondContact O-N 3.33Å; S135-T137 PolarHBondContact O-N 3.36Å
136	N	57.8	Low	82.5	Confident	111 Å²	111	55 Å²	55	59%	0.594	32%	0.318	S	S	*	.			trans	-64	102.9	170.1	-168.8	-2.7	0	0	0	107.2	N134 G138 R166	N134-N136 PolarHBondContact O-N 2.89Å; N136-G138 PolarHBondContact O-N 3.15Å; N136-G138 PolarHBondContact OD1-N 3Å; N136-R166 PolarHBondContact O-NH1 3.28Å
137	T	66.6	Low	82.5	Confident	85 Å²	85	53.8 Å²	53.8	52%	0.521	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-8.6	-176.2	52.9	0	0	0	0	112.7	S135 M233	S135-T137 PolarHBondContact O-N 3.36Å; T137-M233 WeakPolarHBondContact O-CE 3.22Å
138	G	82.1	Confident	82.6	Confident	21 Å²	21	53.3 Å²	53.3	22%	0.216	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-8.5	-177.1	0	0	0	0	0	117.1	N136 M233 E234	N136-G138 PolarHBondContact O-N 3.15Å; N136-G138 PolarHBondContact OD1-N 3Å; G138-M233 CarbonylContact O-C 3.53Å; G138-M233 WeakPolarHBondContact O-CA 3.42Å; G138-E234 PolarHBondContact O-N 2.83Å
139	F	90.8	Very high	82.9	Confident	73 Å²	73	47.5 Å²	47.5	32%	0.32	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	138	-175.8	176.6	-96.1	0	0	0	114.6	H141 R166 E234 R236	F139-H141 AromaticContact CE1-CE1 3.74Å; F139-H141 AromaticContact CE1-ND1 3.71Å; F139-R166 PolarHBondContact O-NH1 3.3Å; F139-E234 CarbonylContact C-O 3.57Å; F139-E234 WeakPolarHBondContact CA-O 3.49Å; F139-E234 HydrophobicContact CD2-CB 3.88Å; F139-R236 HydrophobicContact CZ-CB 4.29Å
140	S	88.8	Confident	83.3	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	148.5	170.7	-173.9	0	0	0	0	112.9	V142 R166 E234 Y235 R236	S140-V142 PolarHBondContact OG-N 3.32Å; S140-V142 PolarHBondContact OG-O 2.83Å; S140-R166 PolarHBondContact OG-O 3.25Å; S140-E234 PolarHBondContact N-O 2.92Å; S140-Y235 CarbonylContact O-C 3.5Å; S140-Y235 VanDerWaalsContact O-CA 3.24Å; S140-Y235 WeakPolarHBondContact O-CA 3.5Å; S140-R236 PolarHBondContact O-N 3.03Å
141	H	95.2	Very high	84	Confident	48 Å²	48	42.4 Å²	42.4	22%	0.222	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	-40.9	169.9	-69.3	78.6	0	0	0	110.8	F139 F163 D165 R166 R236 K237	F139-H141 AromaticContact CE1-CE1 3.74Å; F139-H141 AromaticContact CE1-ND1 3.71Å; H141-F163 HydrophobicContact CB-CZ 4.28Å; H141-D165 HydrophobicContact CB-CB 3.59Å; H141-D165 IonicContact CD2-OD2 2.71Å; H141-D165 VanDerWaalsContact CG-CB 3.47Å; H141-R166 WeakPolarHBondContact CB-O 3.16Å; H141-R166 PolarHBondContact N-O 3.46Å; H141-R236 WeakPolarHBondContact O-CB 3.48Å; H141-K237 PolarHBondContact O-N 3.21Å
142	V	98.1	Very high	85.2	Confident	1 Å²	1	39.9 Å²	39.9	1%	0.006	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	115	170.8	-177	0	0	0	0	109.1	S140 I144 L158 F163 R166 I167 V168 K237 M445	S140-V142 PolarHBondContact OG-N 3.32Å; S140-V142 PolarHBondContact OG-O 2.83Å; V142-I144 HydrophobicContact CG1-CD1 4.43Å; V142-I144 HydrophobicContact CG1-CG1 3.98Å; V142-L158 HydrophobicContact CB-CD1 4.36Å; V142-L158 HydrophobicContact CG1-CD1 3.92Å; V142-L158 HydrophobicContact CG2-CD1 4.13Å; V142-F163 HydrophobicContact CG2-CE1 3.66Å; V142-F163 HydrophobicContact CG2-CE2 4.45Å; V142-F163 HydrophobicContact CG2-CZ 3.56Å; V142-R166 PolarHBondContact N-O 3.31Å; V142-R166 VanDerWaalsContact N-O 3.15Å; V142-I167 HydrophobicContact CB-CG1 4.34Å; V142-V168 PolarHBondContact O-N 3.32Å; V142-K237 WeakPolarHBondContact CA-O 3.2Å; V142-K237 HydrophobicContact CG2-CB 4.32Å; V142-M445 HydrophobicContact CG1-CE 4.28Å; V142-M445 HydrophobicContact CG1-SD 3.86Å; V142-M445 HydrophobicContact CG2-SD 4.48Å
143	L	98.6	Very high	86.9	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	130.6	168.7	177	58.8	0	0	0	109.5	V145 V168 V225 M233 Y235 K237 L238 F239	L143-V145 HydrophobicContact CG-CG2 4.43Å; L143-V168 CarbonylContact C-O 3.27Å; L143-V168 WeakPolarHBondContact CA-O 3.27Å; L143-V168 HydrophobicContact CD1-CB 4.3Å; L143-V168 HydrophobicContact CD1-CG1 4.25Å; L143-V225 HydrophobicContact CD2-CB 4.27Å; L143-V225 HydrophobicContact CD2-CG1 3.83Å; L143-V225 HydrophobicContact CD2-CG2 3.42Å; L143-V225 VanDerWaalsContact CD2-CG2 3.42Å; L143-M233 HydrophobicContact CD1-SD 3.68Å; L143-M233 HydrophobicContact CD2-CG 4.4Å; L143-M233 HydrophobicContact CD2-SD 4.22Å; L143-M233 HydrophobicContact CG-SD 4.42Å; L143-Y235 HydrophobicContact CD2-CD1 4.14Å; L143-K237 PolarHBondContact N-O 3.27Å; L143-L238 HydrophobicContact CB-CD1 3.97Å; L143-L238 HydrophobicContact CD2-CD1 3.92Å; L143-L238 HydrophobicContact CG-CD1 3.82Å; L143-L238 CarbonylContact O-C 3.59Å; L143-L238 WeakPolarHBondContact O-CA 3.24Å; L143-L238 WeakPolarHBondContact O-CD1 3.46Å; L143-F239 PolarHBondContact O-N 3.27Å
144	I	98.9	Very high	88.8	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	117.9	177.8	-58.2	173.4	0	0	0	108.7	V142 S151 C154 A155 I167 V168 M169 C170 F239	V142-I144 HydrophobicContact CG1-CD1 4.43Å; V142-I144 HydrophobicContact CG1-CG1 3.98Å; I144-S151 VanDerWaalsContact CG2-CB 3.44Å; I144-S151 WeakPolarHBondContact CG2-OG 3.48Å; I144-C154 HydrophobicContact CD1-CB 4.34Å; I144-A155 HydrophobicContact CD1-CB 3.84Å; I144-I167 HydrophobicContact CD1-CG2 3.86Å; I144-V168 PolarHBondContact N-O 3.17Å; I144-M169 HydrophobicContact CB-CB 4.32Å; I144-M169 HydrophobicContact CB-CG 4.42Å; I144-M169 HydrophobicContact CG2-CG 4.31Å; I144-M169 CarbonylContact O-C 3.36Å; I144-M169 WeakPolarHBondContact O-CA 3.46Å; I144-C170 PolarHBondContact O-N 3.47Å; I144-C170 PolarHBondContact O-SG 2.86Å; I144-F239 WeakPolarHBondContact CA-O 3.2Å; I144-F239 HydrophobicContact CB-CB 4.48Å; I144-F239 HydrophobicContact CG1-CB 4.11Å; I144-F239 HydrophobicContact CG2-CB 4.36Å; I144-F239 HydrophobicContact CG2-CD1 3.85Å
145	V	98.7	Very high	90.9	Very high	10 Å²	10	23.6 Å²	23.6	6%	0.061	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	113.2	-179.6	180	0	0	0	0	110	L143 V215 L238 F239 A241 S242 F380	L143-V145 HydrophobicContact CG-CG2 4.43Å; V145-V215 HydrophobicContact CG1-CB 4.12Å; V145-V215 HydrophobicContact CG1-CG2 3.91Å; V145-V215 HydrophobicContact CG2-CG2 4.02Å; V145-L238 HydrophobicContact CG2-CD1 3.76Å; V145-F239 PolarHBondContact N-O 3.42Å; V145-A241 CarbonylContact O-C 3.43Å; V145-A241 VanDerWaalsContact O-CA 3.25Å; V145-A241 WeakPolarHBondContact O-CA 3.29Å; V145-A241 PolarHBondContact O-N 2.95Å; V145-S242 PolarHBondContact O-N 2.92Å; V145-F380 HydrophobicContact CG1-CZ 4.45Å
146	G	98.1	Very high	93	Very high	11 Å²	11	19.4 Å²	19.4	11%	0.113	12%	0.115	C	C	.	.			trans	106.1	155.2	-172.9	0	0	0	0	0	111.7	S151 M169 C170	G146-S151 WeakPolarHBondContact O-CB 3.43Å; G146-S151 PolarHBondContact O-OG 3.15Å; G146-M169 WeakPolarHBondContact O-CG 3.44Å; G146-C170 CarbonylContact C-O 3.57Å; G146-C170 WeakPolarHBondContact CA-O 3.43Å; G146-C170 PolarHBondContact N-O 2.91Å
147	S	96.1	Very high	94.9	Very high	5 Å²	5	14.4 Å²	14.4	4%	0.035	9%	0.089	C	C	.	.			trans	-119.8	24.7	179.3	57.5	0	0	0	0	113.3	T171 D173 P177	S147-T171 WeakPolarHBondContact OG-CB 3.32Å; S147-T171 WeakPolarHBondContact OG-CG2 3.24Å; S147-T171 PolarHBondContact OG-OG1 3.17Å; S147-D173 PolarHBondContact OG-OD2 2.87Å; S147-P177 VanDerWaalsContact O-CB 3.32Å; S147-P177 WeakPolarHBondContact O-CB 3.32Å
148	G	96.4	Very high	96.4	Very high	16 Å²	16	10.3 Å²	10.3	17%	0.165	6%	0.064	C	C	.	.	S	Bend	trans	-76.1	-176.3	177.9	0	0	0	0	0	113.6	A150 S151 L152	G148-A150 VanDerWaalsContact C-N 3.27Å; G148-A150 PolarHBondContact O-N 2.9Å; G148-S151 WeakPolarHBondContact O-CB 3.45Å; G148-S151 PolarHBondContact O-N 2.97Å; G148-S151 VanDerWaalsContact O-N 3.11Å; G148-L152 PolarHBondContact O-N 3.05Å
149	P	97.1	Very high	97.1	Very high	12 Å²	12	9.3 Å²	9.3	8%	0.078	5%	0.054	C	C	.	.	H	α-helix	trans	-59.1	-35.9	179.3	24.2	-36.3	0	0	0	113.3	V153 W431 A434 H435	P149-V153 WeakPolarHBondContact O-CB 3.34Å; P149-V153 VanDerWaalsContact O-CG2 3.28Å; P149-V153 WeakPolarHBondContact O-CG2 3.36Å; P149-V153 PolarHBondContact O-N 2.81Å; P149-W431 HydrophobicContact CB-CD2 4.25Å; P149-W431 HydrophobicContact CB-CE3 4.23Å; P149-W431 HydrophobicContact CB-CH2 4.01Å; P149-W431 HydrophobicContact CB-CZ2 4.03Å; P149-W431 HydrophobicContact CB-CZ3 4.12Å; P149-W431 HydrophobicContact CG-CD2 3.98Å; P149-W431 HydrophobicContact CG-CE3 3.54Å; P149-W431 HydrophobicContact CG-CH2 3.9Å; P149-W431 HydrophobicContact CG-CZ2 4.31Å; P149-W431 HydrophobicContact CG-CZ3 3.5Å; P149-A434 HydrophobicContact CB-CB 4.33Å; P149-A434 HydrophobicContact CG-CB 3.63Å; P149-H435 WeakPolarHBondContact CB-CE1 3.46Å; P149-H435 WeakPolarHBondContact CB-ND1 3.45Å
150	A	98.4	Very high	97.4	Very high	4 Å²	4	8.1 Å²	8.1	3%	0.033	5%	0.049	C	C	.	.	H	α-helix	trans	-60.6	-47.2	175.4	0	0	0	0	0	111.4	G148 C154 F239 A241 A434 G438	G148-A150 VanDerWaalsContact C-N 3.27Å; G148-A150 PolarHBondContact O-N 2.9Å; A150-C154 VanDerWaalsContact O-CB 3.27Å; A150-C154 WeakPolarHBondContact O-CB 3.42Å; A150-C154 PolarHBondContact O-N 2.87Å; A150-F239 HydrophobicContact CB-CE1 4.04Å; A150-F239 HydrophobicContact CB-CZ 4.1Å; A150-F239 WeakPolarHBondContact O-CE1 3.43Å; A150-A241 HydrophobicContact CB-CB 4.07Å; A150-A434 WeakPolarHBondContact CA-O 3.49Å; A150-A434 HydrophobicContact CB-CB 4.15Å; A150-A434 VanDerWaalsContact CB-O 3.22Å; A150-A434 WeakPolarHBondContact CB-O 3.44Å; A150-G438 VanDerWaalsContact O-CA 3.25Å; A150-G438 WeakPolarHBondContact O-CA 3.43Å
151	S	98.6	Very high	97.8	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-62.5	-49.3	-179.6	-56.3	0	0	0	0	112.2	I144 G146 G148 C154 A155 A241	I144-S151 VanDerWaalsContact CG2-CB 3.44Å; I144-S151 WeakPolarHBondContact CG2-OG 3.48Å; G146-S151 WeakPolarHBondContact O-CB 3.43Å; G146-S151 PolarHBondContact O-OG 3.15Å; G148-S151 WeakPolarHBondContact O-CB 3.45Å; G148-S151 PolarHBondContact O-N 2.97Å; G148-S151 VanDerWaalsContact O-N 3.11Å; S151-C154 WeakPolarHBondContact O-CB 3.5Å; S151-C154 PolarHBondContact O-N 3.4Å; S151-A155 PolarHBondContact O-N 3.47Å; S151-A241 VanDerWaalsContact OG-CB 3.27Å; S151-A241 WeakPolarHBondContact OG-CB 3.48Å
152	L	98.3	Very high	97.8	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-62.9	-46	-178.1	-177.5	60.3	0	0	0	111.2	L93 G148 C154 A155 E156 P177 L196 R197 L202	L93-L152 HydrophobicContact CD1-CD2 3.56Å; L93-L152 HydrophobicContact CD2-CD2 4.12Å; L93-L152 HydrophobicContact CD2-CG 4.42Å; G148-L152 PolarHBondContact O-N 3.05Å; L152-C154 VanDerWaalsContact C-N 3.33Å; L152-C154 PolarHBondContact O-N 3.38Å; L152-A155 PolarHBondContact O-N 2.92Å; L152-E156 HydrophobicContact CD1-CG 4.41Å; L152-E156 PolarHBondContact O-N 3.2Å; L152-P177 HydrophobicContact CD1-CG 4.44Å; L152-P177 HydrophobicContact CD2-CB 4.06Å; L152-L196 HydrophobicContact CD2-CB 3.71Å; L152-L196 HydrophobicContact CD2-CD1 3.84Å; L152-L196 HydrophobicContact CD2-CG 4.44Å; L152-R197 HydrophobicContact CD1-CG 4.05Å; L152-R197 HydrophobicContact CD2-CG 4.01Å; L152-L202 HydrophobicContact CD1-CD2 3.99Å
153	V	98.2	Very high	97.8	Very high	6 Å²	6	12.6 Å²	12.6	4%	0.036	8%	0.081	C	C	.	.	H	α-helix	trans	-66.3	-35.6	176.7	175.5	0	0	0	0	111.8	F90 L93 P149 T157 H435 R439	F90-V153 HydrophobicContact CE1-CG1 4.19Å; F90-V153 HydrophobicContact CE1-CG2 4.22Å; F90-V153 HydrophobicContact CZ-CG1 3.79Å; L93-V153 HydrophobicContact CD2-CG2 3.75Å; P149-V153 WeakPolarHBondContact O-CB 3.34Å; P149-V153 VanDerWaalsContact O-CG2 3.28Å; P149-V153 WeakPolarHBondContact O-CG2 3.36Å; P149-V153 PolarHBondContact O-N 2.81Å; V153-T157 WeakPolarHBondContact O-CB 3.27Å; V153-T157 PolarHBondContact O-N 3.37Å; V153-T157 PolarHBondContact O-OG1 3.5Å; V153-H435 WeakPolarHBondContact CG1-O 3.31Å; V153-H435 HydrophobicContact CG2-CB 3.88Å; V153-H435 WeakPolarHBondContact CG2-CD2 3.22Å; V153-R439 HydrophobicContact CG1-CB 3.88Å
154	C	98.7	Very high	97.6	Very high	0 Å²	0	15 Å²	15	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-60.4	-49.8	174.3	-175.3	0	0	0	0	110.9	I144 A150 S151 L152 T157 L158 F239 G438 A442	I144-C154 HydrophobicContact CD1-CB 4.34Å; A150-C154 VanDerWaalsContact O-CB 3.27Å; A150-C154 WeakPolarHBondContact O-CB 3.42Å; A150-C154 PolarHBondContact O-N 2.87Å; S151-C154 WeakPolarHBondContact O-CB 3.5Å; S151-C154 PolarHBondContact O-N 3.4Å; L152-C154 VanDerWaalsContact C-N 3.33Å; L152-C154 PolarHBondContact O-N 3.38Å; C154-T157 PolarHBondContact O-N 3.08Å; C154-L158 VanDerWaalsContact O-CG 3.32Å; C154-L158 WeakPolarHBondContact O-CG 3.42Å; C154-L158 PolarHBondContact O-N 2.73Å; C154-F239 HydrophobicContact CB-CD1 3.69Å; C154-F239 HydrophobicContact CB-CE1 3.66Å; C154-F239 HydrophobicContact CB-CZ 4.49Å; C154-G438 WeakPolarHBondContact CA-O 3.42Å; C154-A442 WeakPolarHBondContact O-CB 3.4Å
155	A	98.6	Very high	97.4	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-62.4	-48.4	179.1	0	0	0	0	0	112.2	I144 S151 L152 T157 L158 R159 I167 I207	I144-A155 HydrophobicContact CD1-CB 3.84Å; S151-A155 PolarHBondContact O-N 3.47Å; L152-A155 PolarHBondContact O-N 2.92Å; A155-T157 PolarHBondContact O-N 2.71Å; A155-L158 PolarHBondContact O-N 3.4Å; A155-R159 PolarHBondContact O-N 3.45Å; A155-I167 HydrophobicContact CB-CG2 4.24Å; A155-I207 HydrophobicContact CB-CD1 3.98Å; A155-I207 HydrophobicContact CB-CG1 4.22Å; A155-I207 HydrophobicContact CB-CG2 3.95Å
156	E	98.1	Very high	97.2	Very high	4 Å²	4	18.2 Å²	18.2	2%	0.019	11%	0.111	C	C	.	.	H	α-helix	trans	-63	-43.1	177.8	-74	-171.3	-143.8	0	0	111.4	M126 L152 L158 R159 Q160 R197 F201	M126-E156 HydrophobicContact SD-CB 4.34Å; M126-E156 HydrophobicContact SD-CG 4.28Å; L152-E156 HydrophobicContact CD1-CG 4.41Å; L152-E156 PolarHBondContact O-N 3.2Å; E156-L158 PolarHBondContact O-N 3.38Å; E156-R159 PolarHBondContact O-N 3.02Å; E156-Q160 WeakPolarHBondContact O-CB 3.07Å; E156-Q160 WeakPolarHBondContact O-CG 3.08Å; E156-Q160 PolarHBondContact O-N 2.64Å; E156-R197 WeakPolarHBondContact OE1-CG 3.44Å; E156-R197 IonicContact OE1-CZ 3.78Å; E156-R197 IonicContact OE1-NE 3.95Å; E156-R197 PolarHBondContact OE1-NE 3.2Å; E156-R197 IonicContact OE1-NH2 2.8Å; E156-R197 IonicContact OE2-CZ 2.77Å; E156-R197 IonicContact OE2-NE 2.7Å; E156-R197 IonicContact OE2-NH2 3.68Å; E156-R197 PolarHBondContact OE2-NH2 3.33Å; E156-F201 HydrophobicContact CG-CE1 4.2Å; E156-F201 HydrophobicContact CG-CZ 4.44Å
157	T	97.9	Very high	97.2	Very high	6 Å²	6	17.7 Å²	17.7	4%	0.037	11%	0.105	C	C	.	.	H	α-helix	trans	-62.9	-42	179	-58.1	0	0	0	0	111.2	V153 C154 A155 R159 Q160 E161 R439 A442 L443	V153-T157 WeakPolarHBondContact O-CB 3.27Å; V153-T157 PolarHBondContact O-N 3.37Å; V153-T157 PolarHBondContact O-OG1 3.5Å; C154-T157 PolarHBondContact O-N 3.08Å; A155-T157 PolarHBondContact O-N 2.71Å; T157-R159 VanDerWaalsContact C-N 3.32Å; T157-R159 PolarHBondContact O-N 3.23Å; T157-Q160 PolarHBondContact O-N 3.28Å; T157-E161 HydrophobicContact CG2-CG 4.01Å; T157-E161 VanDerWaalsContact O-CB 3.31Å; T157-E161 WeakPolarHBondContact O-CB 3.27Å; T157-E161 WeakPolarHBondContact O-CG 3.27Å; T157-E161 PolarHBondContact O-N 2.8Å; T157-R439 HydrophobicContact CG2-CG 4.06Å; T157-A442 HydrophobicContact CG2-CB 3.63Å; T157-L443 HydrophobicContact CG2-CG 4.38Å
158	L	98.4	Very high	97.3	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-55.7	-48.8	174.6	-74.9	167.2	0	0	0	110.7	V142 C154 A155 E156 E161 G162 F163 I167 A442 M445 M446	V142-L158 HydrophobicContact CB-CD1 4.36Å; V142-L158 HydrophobicContact CG1-CD1 3.92Å; V142-L158 HydrophobicContact CG2-CD1 4.13Å; C154-L158 VanDerWaalsContact O-CG 3.32Å; C154-L158 WeakPolarHBondContact O-CG 3.42Å; C154-L158 PolarHBondContact O-N 2.73Å; A155-L158 PolarHBondContact O-N 3.4Å; E156-L158 PolarHBondContact O-N 3.38Å; L158-E161 PolarHBondContact O-N 3.32Å; L158-G162 PolarHBondContact O-N 2.97Å; L158-F163 HydrophobicContact CB-CB 3.91Å; L158-F163 HydrophobicContact CB-CD1 4.31Å; L158-F163 HydrophobicContact CB-CG 4.28Å; L158-F163 HydrophobicContact CD2-CB 4.26Å; L158-F163 HydrophobicContact CD2-CD2 4.34Å; L158-F163 HydrophobicContact CD2-CG 4.13Å; L158-F163 WeakPolarHBondContact O-CB 3.23Å; L158-F163 PolarHBondContact O-N 2.93Å; L158-I167 HydrophobicContact CB-CD1 3.77Å; L158-I167 HydrophobicContact CD1-CD1 3.88Å; L158-I167 HydrophobicContact CD1-CG1 4.41Å; L158-I167 HydrophobicContact CG-CD1 4.49Å; L158-A442 HydrophobicContact CD2-CB 4.14Å; L158-A442 HydrophobicContact CG-CB 3.86Å; L158-M445 HydrophobicContact CD1-SD 4.43Å; L158-M445 HydrophobicContact CD2-CB 4.41Å; L158-M446 HydrophobicContact CD2-CG 4.06Å; L158-M446 HydrophobicContact CD2-SD 4.24Å
159	R	98.1	Very high	97.4	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-65.2	-41.6	178	-66.3	-60.4	-174	-132.7	-1.9	112.8	M126 S127 A155 E156 T157 E161 G162 F163 D165 I167 H205 D206 I207	M126-R159 HydrophobicContact CB-CB 3.89Å; M126-R159 HydrophobicContact CG-CB 3.77Å; M126-R159 HydrophobicContact SD-CB 3.91Å; S127-R159 WeakPolarHBondContact CB-O 3.37Å; S127-R159 PolarHBondContact N-O 3.11Å; S127-R159 WeakPolarHBondContact O-CD 3.32Å; S127-R159 PolarHBondContact OG-O 3.3Å; A155-R159 PolarHBondContact O-N 3.45Å; E156-R159 PolarHBondContact O-N 3.02Å; T157-R159 VanDerWaalsContact C-N 3.32Å; T157-R159 PolarHBondContact O-N 3.23Å; R159-E161 PolarHBondContact O-N 3.11Å; R159-G162 PolarHBondContact O-N 2.95Å; R159-F163 PolarHBondContact NH1-O 2.93Å; R159-D165 VanDerWaalsContact CZ-O 3.3Å; R159-D165 PolarHBondContact NH1-O 2.67Å; R159-D165 PolarHBondContact NH2-O 3.38Å; R159-I167 HydrophobicContact CG-CD1 4.19Å; R159-I167 VanDerWaalsContact CZ-CD1 3.47Å; R159-H205 PolarHBondContact NE-O 2.86Å; R159-D206 PolarHBondContact NH2-O 3.02Å; R159-I207 HydrophobicContact CG-CD1 4.2Å; R159-I207 HydrophobicContact CG-CG1 4.18Å
160	Q	96.9	Very high	97.4	Very high	48 Å²	48	16.1 Å²	16.1	22%	0.224	9%	0.092	C	C	.	.	H	α-helix	trans	-63.1	-29.7	178.3	-71.8	169.4	12.1	0	0	112.4	K124 M126 E156 T157	K124-Q160 HydrophobicContact CB-CG 3.9Å; M126-Q160 HydrophobicContact CG-CB 4.43Å; M126-Q160 HydrophobicContact CG-CG 3.54Å; M126-Q160 HydrophobicContact SD-CG 4.22Å; E156-Q160 WeakPolarHBondContact O-CB 3.07Å; E156-Q160 WeakPolarHBondContact O-CG 3.08Å; E156-Q160 PolarHBondContact O-N 2.64Å; T157-Q160 PolarHBondContact O-N 3.28Å
161	E	96.6	Very high	97.3	Very high	58 Å²	58	16.3 Å²	16.3	27%	0.271	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	9.1	-177.5	-64.6	-64.7	158.2	0	0	113.7	T157 L158 R159 L443 M446 R448	T157-E161 HydrophobicContact CG2-CG 4.01Å; T157-E161 VanDerWaalsContact O-CB 3.31Å; T157-E161 WeakPolarHBondContact O-CB 3.27Å; T157-E161 WeakPolarHBondContact O-CG 3.27Å; T157-E161 PolarHBondContact O-N 2.8Å; L158-E161 PolarHBondContact O-N 3.32Å; R159-E161 PolarHBondContact O-N 3.11Å; E161-L443 HydrophobicContact CG-CD2 3.98Å; E161-M446 HydrophobicContact CB-CE 3.37Å; E161-M446 HydrophobicContact CB-SD 3.75Å; E161-M446 HydrophobicContact CG-CE 3.82Å; E161-R448 IonicContact OE2-CZ 2.89Å; E161-R448 IonicContact OE2-NH1 3.73Å; E161-R448 PolarHBondContact OE2-NH1 3.13Å
162	G	96.1	Very high	97.2	Very high	45 Å²	45	21.2 Å²	21.2	46%	0.464	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.6	16.6	172.2	0	0	0	0	0	115.2	S127 L158 R159 T164	S127-G162 WeakPolarHBondContact OG-CA 3.47Å; L158-G162 PolarHBondContact O-N 2.97Å; R159-G162 PolarHBondContact O-N 2.95Å; G162-T164 PolarHBondContact O-N 3.06Å
163	F	96.3	Very high	97	Very high	39 Å²	39	22 Å²	22	17%	0.171	12%	0.122	C	C	.	.			trans	-71.3	120.2	174.8	-169.5	-100.5	0	0	0	110.8	S127 H141 V142 L158 R159 D165 I167 M446	S127-F163 PolarHBondContact OG-N 3.48Å; S127-F163 PolarHBondContact OG-O 3.27Å; S127-F163 VanDerWaalsContact OG-O 3.08Å; H141-F163 HydrophobicContact CB-CZ 4.28Å; V142-F163 HydrophobicContact CG2-CE1 3.66Å; V142-F163 HydrophobicContact CG2-CE2 4.45Å; V142-F163 HydrophobicContact CG2-CZ 3.56Å; L158-F163 HydrophobicContact CB-CB 3.91Å; L158-F163 HydrophobicContact CB-CD1 4.31Å; L158-F163 HydrophobicContact CB-CG 4.28Å; L158-F163 HydrophobicContact CD2-CB 4.26Å; L158-F163 HydrophobicContact CD2-CD2 4.34Å; L158-F163 HydrophobicContact CD2-CG 4.13Å; L158-F163 WeakPolarHBondContact O-CB 3.23Å; L158-F163 PolarHBondContact O-N 2.93Å; R159-F163 PolarHBondContact NH1-O 2.93Å; F163-D165 HydrophobicContact CD1-CB 4.45Å; F163-D165 HydrophobicContact CE1-CB 3.64Å; F163-D165 HydrophobicContact CE2-CB 4.42Å; F163-D165 HydrophobicContact CZ-CB 3.62Å; F163-I167 HydrophobicContact CD1-CD1 3.97Å; F163-I167 HydrophobicContact CD1-CG1 4Å; F163-I167 HydrophobicContact CE1-CD1 4.43Å; F163-I167 HydrophobicContact CE1-CG1 3.96Å; F163-M446 HydrophobicContact CB-SD 4.43Å
164	T	95.6	Very high	96.9	Very high	52 Å²	52	28.9 Å²	28.9	32%	0.319	15%	0.147	S	C	.	.			trans	-110.8	5.8	-172.8	60.1	0	0	0	0	114.5	C129 S130 G162	C129-T164 CarbonylContact C-O 3.57Å; C129-T164 VanDerWaalsContact CA-O 3.22Å; C129-T164 WeakPolarHBondContact CA-O 3.49Å; S130-T164 PolarHBondContact N-O 3.49Å; S130-T164 VanDerWaalsContact OG-CB 3.32Å; S130-T164 WeakPolarHBondContact OG-CB 3.47Å; S130-T164 PolarHBondContact OG-O 2.68Å; S130-T164 PolarHBondContact OG-OG1 3.34Å; S130-T164 VanDerWaalsContact OG-OG1 3.12Å; G162-T164 PolarHBondContact O-N 3.06Å
165	D	94.1	Very high	96.8	Very high	47 Å²	47	30.8 Å²	30.8	25%	0.251	16%	0.156	S	C	.	.	S	Bend	trans	-90.1	171.7	177	-60.9	-39.6	0	0	0	112.5	H141 R159 F163 I167	H141-D165 HydrophobicContact CB-CB 3.59Å; H141-D165 IonicContact CD2-OD2 2.71Å; H141-D165 VanDerWaalsContact CG-CB 3.47Å; R159-D165 VanDerWaalsContact CZ-O 3.3Å; R159-D165 PolarHBondContact NH1-O 2.67Å; R159-D165 PolarHBondContact NH2-O 3.38Å; F163-D165 HydrophobicContact CD1-CB 4.45Å; F163-D165 HydrophobicContact CE1-CB 3.64Å; F163-D165 HydrophobicContact CE2-CB 4.42Å; F163-D165 HydrophobicContact CZ-CB 3.62Å; D165-I167 PolarHBondContact O-N 2.82Å
166	R	95.3	Very high	96.7	Very high	29 Å²	29	31.6 Å²	31.6	11%	0.109	16%	0.161	C	C	.	.			trans	-61.2	127.5	-179.8	-169.9	-176.7	-177.9	-170.3	6.1	112.7	N136 F139 S140 H141 V142 V168 E208	N136-R166 PolarHBondContact O-NH1 3.28Å; F139-R166 PolarHBondContact O-NH1 3.3Å; S140-R166 PolarHBondContact OG-O 3.25Å; H141-R166 WeakPolarHBondContact CB-O 3.16Å; H141-R166 PolarHBondContact N-O 3.46Å; V142-R166 PolarHBondContact N-O 3.31Å; V142-R166 VanDerWaalsContact N-O 3.15Å; R166-V168 HydrophobicContact CG-CG2 4.2Å; R166-E208 WeakPolarHBondContact CD-OE1 3.32Å; R166-E208 VanDerWaalsContact CG-OE1 3.29Å; R166-E208 WeakPolarHBondContact CG-OE1 3.28Å; R166-E208 IonicContact CZ-OE1 3.72Å; R166-E208 IonicContact CZ-OE2 3.56Å; R166-E208 IonicContact NE-OE1 2.95Å; R166-E208 PolarHBondContact NE-OE1 3.46Å; R166-E208 IonicContact NE-OE2 3.15Å; R166-E208 PolarHBondContact NE-OE2 2.91Å; R166-E208 IonicContact NH2-OE1 2.54Å; R166-E208 IonicContact NH2-OE2 3.59Å; R166-E208 PolarHBondContact NH2-OE2 2.86Å
167	I	97.4	Very high	96.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	126.2	172.9	-58.7	174.2	0	0	0	108.2	V142 I144 A155 L158 R159 F163 D165 E208	V142-I167 HydrophobicContact CB-CG1 4.34Å; I144-I167 HydrophobicContact CD1-CG2 3.86Å; A155-I167 HydrophobicContact CB-CG2 4.24Å; L158-I167 HydrophobicContact CB-CD1 3.77Å; L158-I167 HydrophobicContact CD1-CD1 3.88Å; L158-I167 HydrophobicContact CD1-CG1 4.41Å; L158-I167 HydrophobicContact CG-CD1 4.49Å; R159-I167 HydrophobicContact CG-CD1 4.19Å; R159-I167 VanDerWaalsContact CZ-CD1 3.47Å; F163-I167 HydrophobicContact CD1-CD1 3.97Å; F163-I167 HydrophobicContact CD1-CG1 4Å; F163-I167 HydrophobicContact CE1-CD1 4.43Å; F163-I167 HydrophobicContact CE1-CG1 3.96Å; D165-I167 PolarHBondContact O-N 2.82Å; I167-E208 PolarHBondContact O-N 2.92Å
168	V	97.5	Very high	96.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	123.1	174.9	-178.3	0	0	0	0	108.9	V142 L143 I144 R166 E208 L210 M233	V142-V168 PolarHBondContact O-N 3.32Å; L143-V168 CarbonylContact C-O 3.27Å; L143-V168 WeakPolarHBondContact CA-O 3.27Å; L143-V168 HydrophobicContact CD1-CB 4.3Å; L143-V168 HydrophobicContact CD1-CG1 4.25Å; I144-V168 PolarHBondContact N-O 3.17Å; R166-V168 HydrophobicContact CG-CG2 4.2Å; V168-E208 HydrophobicContact CG2-CB 4.18Å; V168-L210 HydrophobicContact CG1-CD1 3.66Å; V168-L210 HydrophobicContact CG1-CG 3.85Å; V168-M233 HydrophobicContact CB-SD 4.25Å; V168-M233 HydrophobicContact CG1-CE 4.08Å; V168-M233 HydrophobicContact CG1-SD 4.06Å; V168-M233 HydrophobicContact CG2-SD 4.45Å
169	M	98.3	Very high	96.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	126.4	170.5	-179.7	167.2	59.4	0	0	108.9	I144 G146 P177 L202 E208 L209 L210	I144-M169 HydrophobicContact CB-CB 4.32Å; I144-M169 HydrophobicContact CB-CG 4.42Å; I144-M169 HydrophobicContact CG2-CG 4.31Å; I144-M169 CarbonylContact O-C 3.36Å; I144-M169 WeakPolarHBondContact O-CA 3.46Å; G146-M169 WeakPolarHBondContact O-CG 3.44Å; M169-P177 HydrophobicContact CE-CG 3.54Å; M169-P177 HydrophobicContact SD-CG 4.34Å; M169-L202 HydrophobicContact CE-CD1 4.45Å; M169-E208 PolarHBondContact N-O 2.9Å; M169-L209 HydrophobicContact CB-CD1 4.34Å; M169-L209 HydrophobicContact CE-CD1 3.84Å; M169-L209 HydrophobicContact CG-CD1 4.12Å; M169-L209 CarbonylContact O-C 3.5Å; M169-L209 WeakPolarHBondContact O-CA 3.2Å; M169-L210 PolarHBondContact O-N 2.9Å
170	C	97.9	Very high	96.3	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.007	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	145.1	178	64.8	0	0	0	0	111.3	I144 G146 L210 K213 F227	I144-C170 PolarHBondContact O-N 3.47Å; I144-C170 PolarHBondContact O-SG 2.86Å; G146-C170 CarbonylContact C-O 3.57Å; G146-C170 WeakPolarHBondContact CA-O 3.43Å; G146-C170 PolarHBondContact N-O 2.91Å; C170-L210 CarbonylContact C-O 3.28Å; C170-L210 VanDerWaalsContact CA-O 3.31Å; C170-L210 WeakPolarHBondContact CA-O 3.38Å; C170-L210 HydrophobicContact CB-CB 4.18Å; C170-K213 HydrophobicContact CB-CB 4.23Å; C170-F227 HydrophobicContact CB-CE1 3.84Å; C170-F227 HydrophobicContact CB-CZ 4.21Å
171	T	96.9	Very high	96.3	Very high	7 Å²	7	33.3 Å²	33.3	4%	0.043	17%	0.168	C	C	.	.			trans	-149.3	147.8	179.7	-175.3	0	0	0	0	111.4	S147 D173 L209 L210 T211 E212 K213	S147-T171 WeakPolarHBondContact OG-CB 3.32Å; S147-T171 WeakPolarHBondContact OG-CG2 3.24Å; S147-T171 PolarHBondContact OG-OG1 3.17Å; T171-D173 HydrophobicContact CG2-CB 4.16Å; T171-D173 PolarHBondContact O-N 3.29Å; T171-D173 PolarHBondContact OG1-N 3.42Å; T171-D173 VanDerWaalsContact OG1-N 3.15Å; T171-L209 HydrophobicContact CG2-CD1 4.09Å; T171-L210 PolarHBondContact N-O 3Å; T171-T211 HydrophobicContact CG2-CG2 4.29Å; T171-T211 CarbonylContact O-C 3.6Å; T171-E212 PolarHBondContact O-N 3.4Å; T171-K213 CarbonylContact C-O 3.57Å; T171-K213 VanDerWaalsContact C-O 3.27Å; T171-K213 PolarHBondContact O-N 2.66Å
172	M	95.2	Very high	96.2	Very high	103 Å²	103	33.4 Å²	33.4	51%	0.507	17%	0.168	S	C	.	.	S	Bend	trans	-72.1	-17.2	169.6	68.9	-177.2	-62.2	0	0	112.5	K213 E214	M172-K213 PolarHBondContact N-O 3.43Å; M172-E214 HydrophobicContact CB-CB 3.97Å
173	D	95.2	Very high	96.2	Very high	18 Å²	18	31.6 Å²	31.6	10%	0.096	15%	0.147	C	C	.	.	S	Bend	trans	-67.5	145.1	176.6	-64.6	-33.2	0	0	0	110.1	S147 T171 H175 R180 T211 E212	S147-D173 PolarHBondContact OG-OD2 2.87Å; T171-D173 HydrophobicContact CG2-CB 4.16Å; T171-D173 PolarHBondContact O-N 3.29Å; T171-D173 PolarHBondContact OG1-N 3.42Å; T171-D173 VanDerWaalsContact OG1-N 3.15Å; D173-H175 VanDerWaalsContact C-N 3.26Å; D173-R180 IonicContact OD1-NH2 3.71Å; D173-R180 PolarHBondContact OD1-NH2 2.88Å; D173-R180 IonicContact OD2-CZ 3.41Å; D173-R180 IonicContact OD2-NH2 3.27Å; D173-R180 PolarHBondContact OD2-NH2 2.87Å; D173-T211 WeakPolarHBondContact O-CA 3.34Å; D173-T211 VanDerWaalsContact O-CB 3.28Å; D173-T211 WeakPolarHBondContact O-CB 3.1Å; D173-E212 PolarHBondContact O-N 2.78Å
174	R	96	Very high	96.2	Very high	149 Å²	149	30 Å²	30	56%	0.562	14%	0.141	S	C	*	.	S	Bend	trans	-77	-13.9	170.3	67.9	178.9	57.1	178.9	-4.6	113.8	E212	R174-E212 HydrophobicContact CB-CG 3.88Å
175	H	95.9	Very high	96.1	Very high	40 Å²	40	30.1 Å²	30.1	19%	0.185	14%	0.137	C	C	.	.	S	Bend	trans	-106.1	150.6	-173.2	-62.3	-57.1	0	0	0	111.7	D173 Y178 A191 E266	D173-H175 VanDerWaalsContact C-N 3.26Å; H175-Y178 HydrophobicContact CB-CD1 4.21Å; H175-Y178 HydrophobicContact CB-CE1 4.47Å; H175-A191 HydrophobicContact CB-CB 4.2Å; H175-A191 VanDerWaalsContact CE1-CB 3.47Å; H175-A191 WeakPolarHBondContact CE1-CB 3.42Å; H175-A191 VanDerWaalsContact CG-CB 3.46Å; H175-A191 WeakPolarHBondContact ND1-CB 3.39Å; H175-E266 IonicContact CD2-OE1 2.94Å; H175-E266 IonicContact CE1-OE1 2.83Å; H175-E266 IonicContact NE2-OE1 3.28Å; H175-E266 PolarHBondContact NE2-OE1 3.11Å; H175-E266 IonicContact NE2-OE2 3.57Å
176	P	96.2	Very high	96	Very high	18 Å²	18	30.5 Å²	30.5	12%	0.117	14%	0.143	C	C	.	.	S	Bend	trans	-58.1	160.9	166.1	-20	32.7	0	0	0	112.2	Y178 R195 M199 L209	P176-Y178 WeakPolarHBondContact O-CD1 3.39Å; P176-Y178 PolarHBondContact O-N 3.32Å; P176-R195 HydrophobicContact CB-CG 4.35Å; P176-M199 HydrophobicContact CB-SD 4Å; P176-M199 HydrophobicContact CG-CG 3.9Å; P176-M199 HydrophobicContact CG-SD 3.52Å; P176-M199 VanDerWaalsContact CG-SD 3.52Å; P176-L209 HydrophobicContact CB-CD2 4Å; P176-L209 HydrophobicContact CG-CD2 4.41Å
177	P	97	Very high	95.9	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.14	C	C	.	.	S	Bend	trans	-44.1	128.4	177.4	-28.7	32	0	0	0	113.2	S147 L152 M169 L196	S147-P177 VanDerWaalsContact O-CB 3.32Å; S147-P177 WeakPolarHBondContact O-CB 3.32Å; L152-P177 HydrophobicContact CD1-CG 4.44Å; L152-P177 HydrophobicContact CD2-CB 4.06Å; M169-P177 HydrophobicContact CE-CG 3.54Å; M169-P177 HydrophobicContact SD-CG 4.34Å; P177-L196 HydrophobicContact CB-CB 4.49Å; P177-L196 HydrophobicContact CB-CD1 4.31Å; P177-L196 WeakPolarHBondContact O-CB 3.5Å; P177-L196 PolarHBondContact O-N 3.47Å
178	Y	96.9	Very high	95.8	Very high	5 Å²	5	35.2 Å²	35.2	2%	0.02	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-137.7	160	-175.4	65.3	-92.8	0	0	0	112.2	H175 P176 R180 L183 L194 R263 P265	H175-Y178 HydrophobicContact CB-CD1 4.21Å; H175-Y178 HydrophobicContact CB-CE1 4.47Å; P176-Y178 WeakPolarHBondContact O-CD1 3.39Å; P176-Y178 PolarHBondContact O-N 3.32Å; Y178-R180 HydrophobicContact CD2-CG 4.1Å; Y178-R180 HydrophobicContact CE2-CG 3.62Å; Y178-R180 PolarHBondContact O-N 2.77Å; Y178-R180 VanDerWaalsContact OH-CZ 3.31Å; Y178-R180 PolarHBondContact OH-NH1 3.28Å; Y178-R180 PolarHBondContact OH-NH2 3.01Å; Y178-L183 HydrophobicContact CE2-CD1 3.92Å; Y178-L183 HydrophobicContact CE2-CD2 4.22Å; Y178-L183 HydrophobicContact CE2-CG 4.25Å; Y178-L194 CarbonylContact C-O 3.59Å; Y178-L194 VanDerWaalsContact CA-O 3.25Å; Y178-L194 WeakPolarHBondContact CA-O 3.28Å; Y178-L194 WeakPolarHBondContact CB-O 3.4Å; Y178-R263 PolarHBondContact OH-O 3.46Å; Y178-P265 HydrophobicContact CD2-CG 4.42Å; Y178-P265 HydrophobicContact CE2-CG 4.23Å
179	D	96.4	Very high	95.7	Very high	6 Å²	6	36.3 Å²	36.3	3%	0.032	18%	0.175	C	C	.	.			trans	-73.7	87.4	-177.1	-169.4	-21.8	0	0	0	111.4	Y57 P181 K182 L194 L196	Y57-D179 VanDerWaalsContact CE1-OD2 3.29Å; Y57-D179 WeakPolarHBondContact CE1-OD2 3.29Å; Y57-D179 VanDerWaalsContact OH-CG 3.3Å; Y57-D179 PolarHBondContact OH-OD1 3.04Å; Y57-D179 VanDerWaalsContact OH-OD1 3.13Å; Y57-D179 PolarHBondContact OH-OD2 3.07Å; D179-P181 WeakPolarHBondContact OD1-CD 3.49Å; D179-K182 HydrophobicContact CB-CD 4.14Å; D179-K182 HydrophobicContact CB-CG 4.36Å; D179-K182 PolarHBondContact O-N 2.91Å; D179-K182 WeakPolarHBondContact OD2-CD 3.43Å; D179-K182 WeakPolarHBondContact OD2-CE 3.32Å; D179-K182 IonicContact OD2-NZ 3.72Å; D179-L194 WeakPolarHBondContact CB-O 3.46Å; D179-L194 PolarHBondContact N-O 3.24Å; D179-L196 HydrophobicContact CB-CD2 4Å
180	R	95.3	Very high	95.6	Very high	61 Å²	61	39.3 Å²	39.3	23%	0.23	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-60.2	-38	-179.6	-67.2	178.2	171.4	-91	1.1	113.6	D173 Y178 K182 L183 R263 W431	D173-R180 IonicContact OD1-NH2 3.71Å; D173-R180 PolarHBondContact OD1-NH2 2.88Å; D173-R180 IonicContact OD2-CZ 3.41Å; D173-R180 IonicContact OD2-NH2 3.27Å; D173-R180 PolarHBondContact OD2-NH2 2.87Å; Y178-R180 HydrophobicContact CD2-CG 4.1Å; Y178-R180 HydrophobicContact CE2-CG 3.62Å; Y178-R180 PolarHBondContact O-N 2.77Å; Y178-R180 VanDerWaalsContact OH-CZ 3.31Å; Y178-R180 PolarHBondContact OH-NH1 3.28Å; Y178-R180 PolarHBondContact OH-NH2 3.01Å; R180-K182 PolarHBondContact O-N 3.26Å; R180-K182 VanDerWaalsContact O-N 3.15Å; R180-L183 WeakPolarHBondContact O-CB 3.03Å; R180-L183 WeakPolarHBondContact O-CG 3.43Å; R180-L183 PolarHBondContact O-N 3.44Å; R180-R263 PolarHBondContact NH1-O 2.98Å; R180-W431 HydrophobicContact CB-CZ3 3.89Å; R180-W431 HydrophobicContact CG-CZ3 4.35Å
181	P	95.2	Very high	95.4	Very high	22 Å²	22	40 Å²	40	14%	0.143	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-55.3	-25.7	174.4	-30.4	34.1	0	0	0	115.5	D179 K185 W431 W459	D179-P181 WeakPolarHBondContact OD1-CD 3.49Å; P181-K185 PolarHBondContact O-NZ 3.37Å; P181-W431 VanDerWaalsContact CD-CZ3 3.45Å; P181-W431 HydrophobicContact CG-CB 4.12Å; P181-W431 HydrophobicContact CG-CD2 3.55Å; P181-W431 HydrophobicContact CG-CE3 3.62Å; P181-W431 HydrophobicContact CG-CG 3.79Å; P181-W431 HydrophobicContact CG-CZ3 4.24Å; P181-W459 HydrophobicContact CB-CZ2 4.22Å
182	K	95.8	Very high	95.4	Very high	60 Å²	60	46 Å²	46	26%	0.261	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-76.5	-21.7	176.7	-74.4	-177.9	-178.9	169.5	0	113.7	D179 R180 S184 K185 S186 L194	D179-K182 HydrophobicContact CB-CD 4.14Å; D179-K182 HydrophobicContact CB-CG 4.36Å; D179-K182 PolarHBondContact O-N 2.91Å; D179-K182 WeakPolarHBondContact OD2-CD 3.43Å; D179-K182 WeakPolarHBondContact OD2-CE 3.32Å; D179-K182 IonicContact OD2-NZ 3.72Å; R180-K182 PolarHBondContact O-N 3.26Å; R180-K182 VanDerWaalsContact O-N 3.15Å; K182-S184 PolarHBondContact O-N 2.84Å; K182-S184 VanDerWaalsContact O-N 3.17Å; K182-K185 PolarHBondContact O-N 2.81Å; K182-S186 PolarHBondContact O-N 2.83Å; K182-L194 HydrophobicContact CB-CD2 3.45Å; K182-L194 VanDerWaalsContact CB-CD2 3.45Å; K182-L194 HydrophobicContact CD-CD2 3.61Å; K182-L194 HydrophobicContact CG-CD2 4.18Å
183	L	96.7	Very high	95.4	Very high	6 Å²	6	47.1 Å²	47.1	3%	0.031	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-38.9	-177.2	-68.6	-178.5	0	0	0	112.9	Y178 R180 L187 L194 L262 R263 P265 A268	Y178-L183 HydrophobicContact CE2-CD1 3.92Å; Y178-L183 HydrophobicContact CE2-CD2 4.22Å; Y178-L183 HydrophobicContact CE2-CG 4.25Å; R180-L183 WeakPolarHBondContact O-CB 3.03Å; R180-L183 WeakPolarHBondContact O-CG 3.43Å; R180-L183 PolarHBondContact O-N 3.44Å; L183-L187 WeakPolarHBondContact O-CD2 3.42Å; L183-L194 HydrophobicContact CD2-CD1 3.57Å; L183-L262 HydrophobicContact CB-CD1 4.13Å; L183-L262 HydrophobicContact CB-CD2 4.28Å; L183-L262 HydrophobicContact CB-CG 4.22Å; L183-R263 VanDerWaalsContact CD1-O 3.29Å; L183-R263 WeakPolarHBondContact CD1-O 3.35Å; L183-P265 HydrophobicContact CD2-CB 4.31Å; L183-P265 HydrophobicContact CD2-CG 4.02Å; L183-A268 HydrophobicContact CD2-CB 4.27Å
184	S	96	Very high	95.5	Very high	7 Å²	7	46.4 Å²	46.4	5%	0.049	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-8	-178.3	44.9	0	0	0	0	114.2	K182 E291	K182-S184 PolarHBondContact O-N 2.84Å; K182-S184 VanDerWaalsContact O-N 3.17Å; S184-E291 WeakPolarHBondContact CB-OE2 3.36Å; S184-E291 CarbonylContact O-C 3.5Å; S184-E291 PolarHBondContact OG-OE2 2.87Å
185	K	93.1	Very high	95.5	Very high	53 Å²	53	43.5 Å²	43.5	23%	0.23	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.9	-28.5	-174.7	-59.4	174.1	-175.4	62.4	0	112.3	P181 K182 E291 A461	P181-K185 PolarHBondContact O-NZ 3.37Å; K182-K185 PolarHBondContact O-N 2.81Å; K185-E291 WeakPolarHBondContact CE-OE1 2.95Å; K185-E291 HydrophobicContact CG-CG 4.45Å; K185-E291 IonicContact NZ-OE1 3.23Å; K185-E291 PolarHBondContact NZ-OE1 3.25Å; K185-E291 IonicContact NZ-OE2 2.95Å; K185-E291 PolarHBondContact NZ-OE2 3.43Å; K185-A461 HydrophobicContact CD-CB 4.32Å
186	S	91.9	Very high	95.5	Very high	55 Å²	55	43.3 Å²	43.3	39%	0.385	22%	0.216	S	C	.	.			trans	-133.5	68.6	-178.4	-56.4	0	0	0	0	108.8	K182 E188 S189	K182-S186 PolarHBondContact O-N 2.83Å; S186-E188 PolarHBondContact O-N 2.87Å; S186-S189 WeakPolarHBondContact CB-OG 3.49Å; S186-S189 PolarHBondContact O-N 3.33Å; S186-S189 VanDerWaalsContact O-N 3.08Å; S186-S189 PolarHBondContact O-OG 3.3Å
187	L	93.3	Very high	95.5	Very high	8 Å²	8	43.2 Å²	43.2	4%	0.042	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-20.3	-169.4	-70.2	166.8	0	0	0	114.6	L183 L262 A268 N269 I271 A272 V292 A295 L296	L183-L187 WeakPolarHBondContact O-CD2 3.42Å; L187-L262 HydrophobicContact CD2-CD2 4.32Å; L187-A268 HydrophobicContact CD2-CB 4.07Å; L187-A268 CarbonylContact O-C 3.58Å; L187-A268 WeakPolarHBondContact O-CB 3.36Å; L187-N269 WeakPolarHBondContact O-CA 3.38Å; L187-N269 PolarHBondContact O-N 2.92Å; L187-N269 PolarHBondContact O-ND2 3.04Å; L187-I271 HydrophobicContact CD1-CG2 4.38Å; L187-I271 HydrophobicContact CD2-CG2 4.48Å; L187-A272 HydrophobicContact CB-CB 3.86Å; L187-V292 HydrophobicContact CD2-CG2 4.4Å; L187-A295 HydrophobicContact CD1-CB 3.75Å; L187-A295 HydrophobicContact CG-CB 4.22Å; L187-L296 HydrophobicContact CD1-CD2 3.55Å; L187-L296 HydrophobicContact CD1-CG 3.96Å
188	E	94.4	Very high	95.5	Very high	120 Å²	120	45.5 Å²	45.5	56%	0.561	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.8	1.9	-177.1	-69.5	169.6	157.8	0	0	113.8	S186 N269 A272 K299	S186-E188 PolarHBondContact O-N 2.87Å; E188-N269 WeakPolarHBondContact CA-ND2 3.48Å; E188-A272 HydrophobicContact CG-CB 3.79Å; E188-K299 IonicContact OE1-NZ 2.93Å; E188-K299 PolarHBondContact OE1-NZ 3.17Å; E188-K299 IonicContact OE2-NZ 2.95Å; E188-K299 PolarHBondContact OE2-NZ 3.1Å
189	S	96.1	Very high	95.3	Very high	24 Å²	24	49.3 Å²	49.3	17%	0.168	25%	0.248	C	C	.	.			trans	-66	140.3	177.6	-64.8	0	0	0	0	111.3	S186 N269	S186-S189 WeakPolarHBondContact CB-OG 3.49Å; S186-S189 PolarHBondContact O-N 3.33Å; S186-S189 VanDerWaalsContact O-N 3.08Å; S186-S189 PolarHBondContact O-OG 3.3Å; S189-N269 PolarHBondContact O-ND2 3.26Å; S189-N269 VanDerWaalsContact O-ND2 3.12Å
190	T	96	Very high	95.3	Very high	62 Å²	62	54.1 Å²	54.1	38%	0.38	27%	0.274	S	S	.	.			trans	-77.8	158.3	174	70.5	0	0	0	0	110.8	E192 Q193 L194	T190-E192 PolarHBondContact O-N 3.14Å; T190-Q193 PolarHBondContact O-N 3.24Å; T190-Q193 VanDerWaalsContact O-N 3.13Å; T190-Q193 WeakPolarHBondContact OG1-CG 3.19Å; T190-Q193 PolarHBondContact OG1-N 3.28Å; T190-L194 WeakPolarHBondContact O-CG 3.41Å; T190-L194 PolarHBondContact O-N 3.22Å; T190-L194 VanDerWaalsContact O-N 3.11Å
191	A	94.7	Very high	95.4	Very high	17 Å²	17	52.4 Å²	52.4	14%	0.14	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-33.9	175.4	0	0	0	0	0	113	H175 L194 R195 P265	H175-A191 HydrophobicContact CB-CB 4.2Å; H175-A191 VanDerWaalsContact CE1-CB 3.47Å; H175-A191 WeakPolarHBondContact CE1-CB 3.42Å; H175-A191 VanDerWaalsContact CG-CB 3.46Å; H175-A191 WeakPolarHBondContact ND1-CB 3.39Å; A191-L194 PolarHBondContact O-N 3.38Å; A191-R195 PolarHBondContact O-N 2.88Å; A191-R195 VanDerWaalsContact O-N 3.09Å; A191-P265 HydrophobicContact CB-CB 4.31Å; A191-P265 HydrophobicContact CB-CG 3.94Å
192	E	95.3	Very high	95.4	Very high	131 Å²	131	51.5 Å²	51.5	61%	0.612	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-43.7	176.1	179.5	166.3	-141.5	0	0	112.7	T190 L194 R195	T190-E192 PolarHBondContact O-N 3.14Å; E192-L194 PolarHBondContact O-N 3.32Å; E192-R195 WeakPolarHBondContact O-CB 3.44Å; E192-R195 PolarHBondContact O-N 2.87Å; E192-R195 VanDerWaalsContact O-N 3.16Å; E192-R195 IonicContact OE1-NH1 3.02Å; E192-R195 IonicContact OE1-NH2 3.82Å
193	Q	96.2	Very high	95.4	Very high	127 Å²	127	55 Å²	55	59%	0.593	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-26.4	176.4	-70.8	170.1	-23.5	0	0	112.8	T190	T190-Q193 PolarHBondContact O-N 3.24Å; T190-Q193 VanDerWaalsContact O-N 3.13Å; T190-Q193 WeakPolarHBondContact OG1-CG 3.19Å; T190-Q193 PolarHBondContact OG1-N 3.28Å
194	L	96.6	Very high	95.3	Very high	3 Å²	3	59 Å²	59	2%	0.016	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-9	177.8	-62.9	179.4	0	0	0	113	Y178 D179 K182 L183 T190 A191 E192 L196 P265	Y178-L194 CarbonylContact C-O 3.59Å; Y178-L194 VanDerWaalsContact CA-O 3.25Å; Y178-L194 WeakPolarHBondContact CA-O 3.28Å; Y178-L194 WeakPolarHBondContact CB-O 3.4Å; D179-L194 WeakPolarHBondContact CB-O 3.46Å; D179-L194 PolarHBondContact N-O 3.24Å; K182-L194 HydrophobicContact CB-CD2 3.45Å; K182-L194 VanDerWaalsContact CB-CD2 3.45Å; K182-L194 HydrophobicContact CD-CD2 3.61Å; K182-L194 HydrophobicContact CG-CD2 4.18Å; L183-L194 HydrophobicContact CD2-CD1 3.57Å; T190-L194 WeakPolarHBondContact O-CG 3.41Å; T190-L194 PolarHBondContact O-N 3.22Å; T190-L194 VanDerWaalsContact O-N 3.11Å; A191-L194 PolarHBondContact O-N 3.38Å; E192-L194 PolarHBondContact O-N 3.32Å; L194-L196 PolarHBondContact O-N 3.26Å; L194-P265 HydrophobicContact CD1-CB 4.41Å; L194-P265 HydrophobicContact CD1-CG 4.14Å
195	R	96.3	Very high	95.3	Very high	89 Å²	89	60.6 Å²	60.6	34%	0.336	31%	0.307	S	S	.	.	B	Isolated β-bridge	trans	-60.9	135.4	-172.7	-165.6	-174	-63.7	154.2	-3.1	111.3	P176 A191 E192 R197	P176-R195 HydrophobicContact CB-CG 4.35Å; A191-R195 PolarHBondContact O-N 2.88Å; A191-R195 VanDerWaalsContact O-N 3.09Å; E192-R195 WeakPolarHBondContact O-CB 3.44Å; E192-R195 PolarHBondContact O-N 2.87Å; E192-R195 VanDerWaalsContact O-N 3.16Å; E192-R195 IonicContact OE1-NH1 3.02Å; E192-R195 IonicContact OE1-NH2 3.82Å; R195-R197 WeakPolarHBondContact CD-O 3.43Å; R195-R197 WeakPolarHBondContact CG-O 3.43Å
196	L	96.5	Very high	95.4	Very high	36 Å²	36	59.5 Å²	59.5	19%	0.188	30%	0.304	C	S	.	.	S	Bend	trans	-83.6	-42.4	178.9	-68.2	176.6	0	0	0	112.6	L93 L152 P177 D179 L194 W431	L93-L196 HydrophobicContact CD1-CB 3.87Å; L93-L196 HydrophobicContact CD1-CD2 4.44Å; L152-L196 HydrophobicContact CD2-CB 3.71Å; L152-L196 HydrophobicContact CD2-CD1 3.84Å; L152-L196 HydrophobicContact CD2-CG 4.44Å; P177-L196 HydrophobicContact CB-CB 4.49Å; P177-L196 HydrophobicContact CB-CD1 4.31Å; P177-L196 WeakPolarHBondContact O-CB 3.5Å; P177-L196 PolarHBondContact O-N 3.47Å; D179-L196 HydrophobicContact CB-CD2 4Å; L194-L196 PolarHBondContact O-N 3.26Å; L196-W431 HydrophobicContact CD1-CH2 4.03Å; L196-W431 HydrophobicContact CD1-CZ2 3.98Å; L196-W431 HydrophobicContact CD2-CZ2 4.26Å
197	R	96.6	Very high	95.7	Very high	16 Å²	16	57.1 Å²	57.1	6%	0.06	29%	0.287	C	S	.	.	S	Bend	trans	-136.1	141.1	175.6	-65.8	-60.1	-171.5	-156	15.6	110	L93 D94 L152 E156 R195 F201 L202	L93-R197 VanDerWaalsContact CB-NH2 3.28Å; L93-R197 HydrophobicContact CD1-CG 4.36Å; D94-R197 IonicContact OD1-CZ 2.67Å; D94-R197 VanDerWaalsContact OD1-CZ 3.28Å; D94-R197 IonicContact OD1-NH1 3.86Å; D94-R197 PolarHBondContact OD1-NH1 3.45Å; D94-R197 IonicContact OD1-NH2 3.6Å; D94-R197 PolarHBondContact OD1-NH2 2.9Å; D94-R197 IonicContact OD2-CZ 3.68Å; D94-R197 IonicContact OD2-NH1 3.66Å; D94-R197 PolarHBondContact OD2-NH1 2.86Å; L152-R197 HydrophobicContact CD1-CG 4.05Å; L152-R197 HydrophobicContact CD2-CG 4.01Å; E156-R197 WeakPolarHBondContact OE1-CG 3.44Å; E156-R197 IonicContact OE1-CZ 3.78Å; E156-R197 IonicContact OE1-NE 3.95Å; E156-R197 PolarHBondContact OE1-NE 3.2Å; E156-R197 IonicContact OE1-NH2 2.8Å; E156-R197 IonicContact OE2-CZ 2.77Å; E156-R197 IonicContact OE2-NE 2.7Å; E156-R197 IonicContact OE2-NH2 3.68Å; E156-R197 PolarHBondContact OE2-NH2 3.33Å; R195-R197 WeakPolarHBondContact CD-O 3.43Å; R195-R197 WeakPolarHBondContact CG-O 3.43Å; R197-F201 HydrophobicContact CB-CB 4.36Å; R197-F201 HydrophobicContact CB-CD1 3.63Å; R197-F201 HydrophobicContact CB-CE1 4.18Å; R197-F201 HydrophobicContact CB-CG 4.16Å; R197-F201 VanDerWaalsContact CD-CE1 3.41Å; R197-F201 HydrophobicContact CG-CD1 3.58Å; R197-F201 HydrophobicContact CG-CE1 3.59Å; R197-F201 HydrophobicContact CG-CG 4.28Å; R197-F201 HydrophobicContact CG-CZ 4.28Å; R197-F201 VanDerWaalsContact NE-CZ 3.29Å; R197-L202 HydrophobicContact CB-CD2 4.32Å; R197-L202 HydrophobicContact CB-CG 4.47Å
198	S	95.4	Very high	95.8	Very high	48 Å²	48	58.9 Å²	58.9	34%	0.336	30%	0.295	S	S	.	.			trans	-64.4	159.9	172.1	57.2	0	0	0	0	111.1	D200 F201 L202	S198-D200 VanDerWaalsContact C-N 3.27Å; S198-F201 WeakPolarHBondContact O-CB 3.16Å; S198-F201 PolarHBondContact O-N 3.5Å; S198-F201 WeakPolarHBondContact OG-CB 3.32Å; S198-F201 PolarHBondContact OG-N 2.84Å; S198-F201 VanDerWaalsContact OG-N 3.1Å; S198-L202 PolarHBondContact O-N 3.2Å
199	M	94.6	Very high	95.9	Very high	84 Å²	84	54.3 Å²	54.3	41%	0.414	27%	0.274	S	S	.	.	H	α-helix	trans	-61.4	-41.1	170.7	-73	-60.2	-68	0	0	111	P176 F201 L202 Q203 L209	P176-M199 HydrophobicContact CB-SD 4Å; P176-M199 HydrophobicContact CG-CG 3.9Å; P176-M199 HydrophobicContact CG-SD 3.52Å; P176-M199 VanDerWaalsContact CG-SD 3.52Å; M199-F201 VanDerWaalsContact C-N 3.28Å; M199-F201 PolarHBondContact O-N 2.63Å; M199-L202 PolarHBondContact O-N 2.8Å; M199-L202 VanDerWaalsContact O-N 3.07Å; M199-L202 HydrophobicContact SD-CD1 4.33Å; M199-Q203 PolarHBondContact O-N 3.25Å; M199-L209 HydrophobicContact CE-CD2 4.44Å; M199-L209 HydrophobicContact SD-CD2 3.9Å
200	D	95.9	Very high	96	Very high	107 Å²	107	55.4 Å²	55.4	57%	0.572	28%	0.278	S	S	*	.	H	α-helix	trans	-56	-42.6	175.1	-55.6	-9.5	0	0	0	111.8	S198 L202 Q203 D204	S198-D200 VanDerWaalsContact C-N 3.27Å; D200-L202 PolarHBondContact O-N 2.93Å; D200-Q203 PolarHBondContact O-N 3.34Å; D200-D204 WeakPolarHBondContact O-CB 3.2Å; D200-D204 PolarHBondContact O-N 2.98Å
201	F	96.2	Very high	96	Very high	26 Å²	26	54.8 Å²	54.8	11%	0.114	27%	0.274	C	S	.	.	H	α-helix	trans	-61	-45	175.9	174.6	-83	0	0	0	111.9	M126 E156 R197 S198 M199 Q203 D204 H205	M126-F201 HydrophobicContact CE-CE1 4.21Å; M126-F201 HydrophobicContact CE-CE2 3.81Å; M126-F201 HydrophobicContact CE-CZ 3.39Å; M126-F201 HydrophobicContact SD-CZ 4.5Å; E156-F201 HydrophobicContact CG-CE1 4.2Å; E156-F201 HydrophobicContact CG-CZ 4.44Å; R197-F201 HydrophobicContact CB-CB 4.36Å; R197-F201 HydrophobicContact CB-CD1 3.63Å; R197-F201 HydrophobicContact CB-CE1 4.18Å; R197-F201 HydrophobicContact CB-CG 4.16Å; R197-F201 VanDerWaalsContact CD-CE1 3.41Å; R197-F201 HydrophobicContact CG-CD1 3.58Å; R197-F201 HydrophobicContact CG-CE1 3.59Å; R197-F201 HydrophobicContact CG-CG 4.28Å; R197-F201 HydrophobicContact CG-CZ 4.28Å; R197-F201 VanDerWaalsContact NE-CZ 3.29Å; S198-F201 WeakPolarHBondContact O-CB 3.16Å; S198-F201 PolarHBondContact O-N 3.5Å; S198-F201 WeakPolarHBondContact OG-CB 3.32Å; S198-F201 PolarHBondContact OG-N 2.84Å; S198-F201 VanDerWaalsContact OG-N 3.1Å; M199-F201 VanDerWaalsContact C-N 3.28Å; M199-F201 PolarHBondContact O-N 2.63Å; F201-Q203 VanDerWaalsContact C-N 3.3Å; F201-Q203 PolarHBondContact O-N 3.46Å; F201-D204 PolarHBondContact O-N 3.47Å; F201-H205 AromaticContact CD2-CD2 3.85Å; F201-H205 AromaticContact CD2-NE2 3.87Å; F201-H205 AromaticContact CE1-CD2 3.92Å; F201-H205 AromaticContact CE2-CD2 3.74Å; F201-H205 AromaticContact CE2-NE2 3.68Å; F201-H205 AromaticContact CZ-CD2 3.8Å; F201-H205 PolarHBondContact O-CD2 3.22Å; F201-H205 PolarHBondContact O-N 3.38Å
202	L	96.8	Very high	96.1	Very high	2 Å²	2	60 Å²	60	1%	0.01	30%	0.296	C	S	.	.	H	α-helix	trans	-63.9	-40.2	178.5	-63.3	177.9	0	0	0	110.8	L152 M169 R197 S198 M199 D200 H205 D206 I207 L209	L152-L202 HydrophobicContact CD1-CD2 3.99Å; M169-L202 HydrophobicContact CE-CD1 4.45Å; R197-L202 HydrophobicContact CB-CD2 4.32Å; R197-L202 HydrophobicContact CB-CG 4.47Å; S198-L202 PolarHBondContact O-N 3.2Å; M199-L202 PolarHBondContact O-N 2.8Å; M199-L202 VanDerWaalsContact O-N 3.07Å; M199-L202 HydrophobicContact SD-CD1 4.33Å; D200-L202 PolarHBondContact O-N 2.93Å; L202-H205 CarbonylContact O-C 3.55Å; L202-H205 PolarHBondContact O-N 3.25Å; L202-D206 PolarHBondContact O-N 3.21Å; L202-I207 HydrophobicContact CB-CB 4.42Å; L202-I207 HydrophobicContact CD2-CB 4.3Å; L202-I207 HydrophobicContact CD2-CD1 4.43Å; L202-I207 HydrophobicContact CD2-CG2 4.12Å; L202-I207 PolarHBondContact O-N 3.43Å; L202-L209 HydrophobicContact CD1-CB 4.32Å; L202-L209 HydrophobicContact CD1-CD2 4.08Å
203	Q	94.9	Very high	96.2	Very high	135 Å²	135	56.1 Å²	56.1	63%	0.631	28%	0.277	S	S	*	.	H	α-helix	trans	-67	-43.6	177.4	-174.9	174.9	3.4	0	0	112.6	M199 D200 F201 H205 D206	M199-Q203 PolarHBondContact O-N 3.25Å; D200-Q203 PolarHBondContact O-N 3.34Å; F201-Q203 VanDerWaalsContact C-N 3.3Å; F201-Q203 PolarHBondContact O-N 3.46Å; Q203-H205 PolarHBondContact O-N 2.95Å; Q203-H205 VanDerWaalsContact O-N 3.14Å; Q203-D206 PolarHBondContact O-N 3.46Å
204	D	94.8	Very high	96.3	Very high	90 Å²	90	52.9 Å²	52.9	48%	0.481	26%	0.262	S	S	.	.	H	α-helix	trans	-61.8	-22.4	178.6	-75.8	-20.9	0	0	0	112.8	R128 D200 F201	R128-D204 VanDerWaalsContact CZ-O 3.27Å; R128-D204 PolarHBondContact NE-O 3.43Å; D200-D204 WeakPolarHBondContact O-CB 3.2Å; D200-D204 PolarHBondContact O-N 2.98Å; F201-D204 PolarHBondContact O-N 3.47Å
205	H	95.3	Very high	96.3	Very high	39 Å²	39	53.3 Å²	53.3	18%	0.181	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110	13	178.2	-60.2	-52.9	0	0	0	113.5	M126 R159 F201 L202 Q203 I207	M126-H205 WeakPolarHBondContact CE-CD2 3.41Å; M126-H205 WeakPolarHBondContact CE-NE2 3.45Å; M126-H205 HydrophobicContact SD-CB 4.37Å; R159-H205 PolarHBondContact NE-O 2.86Å; F201-H205 AromaticContact CD2-CD2 3.85Å; F201-H205 AromaticContact CD2-NE2 3.87Å; F201-H205 AromaticContact CE1-CD2 3.92Å; F201-H205 AromaticContact CE2-CD2 3.74Å; F201-H205 AromaticContact CE2-NE2 3.68Å; F201-H205 AromaticContact CZ-CD2 3.8Å; F201-H205 PolarHBondContact O-CD2 3.22Å; F201-H205 PolarHBondContact O-N 3.38Å; L202-H205 CarbonylContact O-C 3.55Å; L202-H205 PolarHBondContact O-N 3.25Å; Q203-H205 PolarHBondContact O-N 2.95Å; Q203-H205 VanDerWaalsContact O-N 3.14Å; H205-I207 HydrophobicContact CB-CD1 4.23Å; H205-I207 PolarHBondContact O-N 2.94Å
206	D	95.9	Very high	96.4	Very high	31 Å²	31	51.8 Å²	51.8	17%	0.166	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.3	43.4	177.6	-48.7	-51.6	0	0	0	112.5	R128 C129 R159 L202 Q203	R128-D206 WeakPolarHBondContact CA-OD2 3.41Å; R128-D206 WeakPolarHBondContact CB-OD2 3.44Å; R128-D206 IonicContact CZ-OD1 2.96Å; R128-D206 IonicContact CZ-OD2 3.59Å; R128-D206 IonicContact NE-OD1 3.94Å; R128-D206 IonicContact NE-OD2 3.57Å; R128-D206 PolarHBondContact NE-OD2 3.39Å; R128-D206 IonicContact NH2-OD1 2.79Å; R128-D206 PolarHBondContact NH2-OD1 2.93Å; R128-D206 IonicContact NH2-OD2 3.62Å; C129-D206 HydrophobicContact CB-CB 3.63Å; C129-D206 PolarHBondContact N-OD2 3.19Å; R159-D206 PolarHBondContact NH2-O 3.02Å; L202-D206 PolarHBondContact O-N 3.21Å; Q203-D206 PolarHBondContact O-N 3.46Å
207	I	97	Very high	96.4	Very high	5 Å²	5	52 Å²	52	3%	0.026	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	104.2	170.9	-64.5	162.2	0	0	0	107.1	A155 R159 L202 H205	A155-I207 HydrophobicContact CB-CD1 3.98Å; A155-I207 HydrophobicContact CB-CG1 4.22Å; A155-I207 HydrophobicContact CB-CG2 3.95Å; R159-I207 HydrophobicContact CG-CD1 4.2Å; R159-I207 HydrophobicContact CG-CG1 4.18Å; L202-I207 HydrophobicContact CB-CB 4.42Å; L202-I207 HydrophobicContact CD2-CB 4.3Å; L202-I207 HydrophobicContact CD2-CD1 4.43Å; L202-I207 HydrophobicContact CD2-CG2 4.12Å; L202-I207 PolarHBondContact O-N 3.43Å; H205-I207 HydrophobicContact CB-CD1 4.23Å; H205-I207 PolarHBondContact O-N 2.94Å
208	E	96.3	Very high	96.4	Very high	44 Å²	44	51.8 Å²	51.8	21%	0.206	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	136.2	179.4	-66.4	174.8	-132.3	0	0	110.6	R166 I167 V168 M169	R166-E208 WeakPolarHBondContact CD-OE1 3.32Å; R166-E208 VanDerWaalsContact CG-OE1 3.29Å; R166-E208 WeakPolarHBondContact CG-OE1 3.28Å; R166-E208 IonicContact CZ-OE1 3.72Å; R166-E208 IonicContact CZ-OE2 3.56Å; R166-E208 IonicContact NE-OE1 2.95Å; R166-E208 PolarHBondContact NE-OE1 3.46Å; R166-E208 IonicContact NE-OE2 3.15Å; R166-E208 PolarHBondContact NE-OE2 2.91Å; R166-E208 IonicContact NH2-OE1 2.54Å; R166-E208 IonicContact NH2-OE2 3.59Å; R166-E208 PolarHBondContact NH2-OE2 2.86Å; I167-E208 PolarHBondContact O-N 2.92Å; V168-E208 HydrophobicContact CG2-CB 4.18Å; M169-E208 PolarHBondContact N-O 2.9Å
209	L	97.5	Very high	96.4	Very high	25 Å²	25	52.5 Å²	52.5	13%	0.131	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	121.3	175.8	176.5	61	0	0	0	110.3	M169 T171 P176 M199 L202 T211	M169-L209 HydrophobicContact CB-CD1 4.34Å; M169-L209 HydrophobicContact CE-CD1 3.84Å; M169-L209 HydrophobicContact CG-CD1 4.12Å; M169-L209 CarbonylContact O-C 3.5Å; M169-L209 WeakPolarHBondContact O-CA 3.2Å; T171-L209 HydrophobicContact CG2-CD1 4.09Å; P176-L209 HydrophobicContact CB-CD2 4Å; P176-L209 HydrophobicContact CG-CD2 4.41Å; M199-L209 HydrophobicContact CE-CD2 4.44Å; M199-L209 HydrophobicContact SD-CD2 3.9Å; L202-L209 HydrophobicContact CD1-CB 4.32Å; L202-L209 HydrophobicContact CD1-CD2 4.08Å; L209-T211 HydrophobicContact CD2-CG2 4.05Å; L209-T211 HydrophobicContact CG-CG2 4.07Å
210	L	97	Very high	96.5	Very high	46 Å²	46	50.3 Å²	50.3	24%	0.241	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	104.1	171	-52	-179.4	0	0	0	109.4	V168 M169 C170 T171 K213 M233	V168-L210 HydrophobicContact CG1-CD1 3.66Å; V168-L210 HydrophobicContact CG1-CG 3.85Å; M169-L210 PolarHBondContact O-N 2.9Å; C170-L210 CarbonylContact C-O 3.28Å; C170-L210 VanDerWaalsContact CA-O 3.31Å; C170-L210 WeakPolarHBondContact CA-O 3.38Å; C170-L210 HydrophobicContact CB-CB 4.18Å; T171-L210 PolarHBondContact N-O 3Å; L210-K213 HydrophobicContact CB-CB 4.39Å; L210-K213 HydrophobicContact CB-CG 3.76Å; L210-M233 HydrophobicContact CD1-CE 3.66Å
211	T	97.2	Very high	96.4	Very high	49 Å²	49	54.3 Å²	54.3	30%	0.301	28%	0.275	S	S	.	.			trans	-82.5	161.1	173.8	51.7	0	0	0	0	111.5	T171 D173 L209 K213	T171-T211 HydrophobicContact CG2-CG2 4.29Å; T171-T211 CarbonylContact O-C 3.6Å; D173-T211 WeakPolarHBondContact O-CA 3.34Å; D173-T211 VanDerWaalsContact O-CB 3.28Å; D173-T211 WeakPolarHBondContact O-CB 3.1Å; L209-T211 HydrophobicContact CD2-CG2 4.05Å; L209-T211 HydrophobicContact CG-CG2 4.07Å; T211-K213 PolarHBondContact O-N 3.14Å; T211-K213 VanDerWaalsContact O-N 3.14Å
212	E	96.6	Very high	96.4	Very high	128 Å²	128	55.9 Å²	55.9	60%	0.598	29%	0.287	S	S	*	.	S	Bend	trans	54.2	31	-179.9	-53.7	-174.7	114.6	0	0	113.5	T171 D173 R174	T171-E212 PolarHBondContact O-N 3.4Å; D173-E212 PolarHBondContact O-N 2.78Å; R174-E212 HydrophobicContact CB-CG 3.88Å
213	K	97.1	Very high	96.4	Very high	49 Å²	49	60.8 Å²	60.8	21%	0.213	31%	0.305	C	S	.	.			trans	-113.1	92.6	175.3	-66.6	-56.9	178.7	172.1	0	110.2	C170 T171 M172 L210 T211 F227 D229	C170-K213 HydrophobicContact CB-CB 4.23Å; T171-K213 CarbonylContact C-O 3.57Å; T171-K213 VanDerWaalsContact C-O 3.27Å; T171-K213 PolarHBondContact O-N 2.66Å; M172-K213 PolarHBondContact N-O 3.43Å; L210-K213 HydrophobicContact CB-CB 4.39Å; L210-K213 HydrophobicContact CB-CG 3.76Å; T211-K213 PolarHBondContact O-N 3.14Å; T211-K213 VanDerWaalsContact O-N 3.14Å; K213-F227 HydrophobicContact CB-CD1 3.71Å; K213-F227 HydrophobicContact CB-CE1 3.83Å; K213-F227 HydrophobicContact CB-CG 4.48Å; K213-F227 HydrophobicContact CG-CD1 4.47Å; K213-D229 IonicContact NZ-OD2 2.66Å; K213-D229 PolarHBondContact NZ-OD2 3.21Å
214	E	97.4	Very high	96.5	Very high	59 Å²	59	54.5 Å²	54.5	28%	0.276	28%	0.276	S	S	.	.			trans	-80.5	127.3	170	-177.4	158.4	-162.9	0	0	110.1	M172 V216 F227 E228 K245	M172-E214 HydrophobicContact CB-CB 3.97Å; E214-V216 HydrophobicContact CG-CG1 4.3Å; E214-F227 CarbonylContact O-C 3.36Å; E214-F227 WeakPolarHBondContact O-CA 3.34Å; E214-E228 HydrophobicContact CB-CB 4.35Å; E214-E228 PolarHBondContact O-N 3.02Å; E214-K245 IonicContact OE1-NZ 3.96Å; E214-K245 PolarHBondContact OE1-NZ 2.83Å; E214-K245 VanDerWaalsContact OE1-NZ 3.15Å
215	V	97.9	Very high	96.6	Very high	11 Å²	11	50.2 Å²	50.2	7%	0.067	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	121.1	171.4	173.4	0	0	0	0	108.9	V145 V225 F227 F380	V145-V215 HydrophobicContact CG1-CB 4.12Å; V145-V215 HydrophobicContact CG1-CG2 3.91Å; V145-V215 HydrophobicContact CG2-CG2 4.02Å; V215-V225 HydrophobicContact CG1-CB 3.87Å; V215-V225 HydrophobicContact CG1-CG1 4.18Å; V215-V225 HydrophobicContact CG2-CB 4.34Å; V215-V225 HydrophobicContact CG2-CG2 4.18Å; V215-F227 HydrophobicContact CG2-CD1 3.77Å; V215-F227 HydrophobicContact CG2-CE1 3.55Å; V215-F227 HydrophobicContact CG2-CZ 4.48Å; V215-F380 HydrophobicContact CG1-CD2 3.79Å; V215-F380 HydrophobicContact CG1-CE2 4.07Å; V215-F380 HydrophobicContact CG1-CG 4.28Å
216	V	97.6	Very high	96.7	Very high	57 Å²	57	50.6 Å²	50.6	35%	0.345	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	-21.6	-175.6	-62.3	0	0	0	0	113.4	E214 T226 E228 F380	E214-V216 HydrophobicContact CG-CG1 4.3Å; V216-T226 HydrophobicContact CG2-CG2 4.36Å; V216-T226 WeakPolarHBondContact CG2-O 3.25Å; V216-T226 PolarHBondContact N-O 2.89Å; V216-E228 HydrophobicContact CG1-CB 3.86Å; V216-E228 HydrophobicContact CG1-CG 4.4Å; V216-E228 WeakPolarHBondContact CG1-OE2 3.35Å; V216-F380 VanDerWaalsContact C-CB 3.46Å; V216-F380 WeakPolarHBondContact O-CA 3.41Å; V216-F380 VanDerWaalsContact O-CB 3.25Å; V216-F380 WeakPolarHBondContact O-CB 3.3Å
217	A	97.2	Very high	96.8	Very high	40 Å²	40	49.2 Å²	49.2	33%	0.331	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	157.8	175.9	0	0	0	0	0	112.2	V225 T226	A217-V225 WeakPolarHBondContact O-CA 3.43Å; A217-T226 PolarHBondContact N-O 3.42Å; A217-T226 PolarHBondContact O-N 2.89Å
218	M	96.2	Very high	96.8	Very high	12 Å²	12	55.4 Å²	55.4	6%	0.059	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	134.9	176	-174.3	-178	87.9	0	0	110.6	V220 V225 L238 I240 F380 L381 S384 I386	M218-V220 HydrophobicContact CE-CG1 3.46Å; M218-V220 VanDerWaalsContact CE-CG1 3.46Å; M218-V225 HydrophobicContact CG-CG1 4.26Å; M218-L238 HydrophobicContact CG-CD2 4.33Å; M218-L238 HydrophobicContact SD-CD2 3.24Å; M218-L238 WeakPolarHBondContact SD-CD2 3.47Å; M218-I240 HydrophobicContact SD-CD1 4.14Å; M218-F380 HydrophobicContact CB-CD2 4.32Å; M218-L381 HydrophobicContact CB-CD2 4.4Å; M218-L381 HydrophobicContact CE-CD2 3.79Å; M218-L381 HydrophobicContact SD-CD2 3.95Å; M218-S384 VanDerWaalsContact CE-CB 3.49Å; M218-I386 HydrophobicContact CE-CD1 3.91Å; M218-I386 HydrophobicContact CE-CG1 3.29Å
219	D	95.6	Very high	96.8	Very high	64 Å²	64	57.8 Å²	57.8	34%	0.342	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	113.9	173.9	-173.6	-27.7	0	0	0	109.9	K221 T222 R223 S224	D219-K221 WeakPolarHBondContact OD1-CA 3.35Å; D219-K221 VanDerWaalsContact OD1-CB 3.3Å; D219-K221 WeakPolarHBondContact OD1-CB 3.31Å; D219-K221 PolarHBondContact OD1-N 3.3Å; D219-T222 WeakPolarHBondContact CB-OG1 3.46Å; D219-T222 VanDerWaalsContact CG-OG1 3.25Å; D219-T222 PolarHBondContact OD1-N 2.97Å; D219-T222 VanDerWaalsContact OD1-N 3.14Å; D219-R223 CarbonylContact O-C 3.59Å; D219-R223 VanDerWaalsContact O-CA 3.28Å; D219-R223 WeakPolarHBondContact O-CA 3.19Å; D219-R223 PolarHBondContact O-N 3.4Å; D219-S224 PolarHBondContact N-O 3.47Å; D219-S224 PolarHBondContact O-N 2.95Å
220	V	96	Very high	96.7	Very high	37 Å²	37	59.2 Å²	59.2	22%	0.224	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-23.8	179.9	-62	0	0	0	0	113.5	M218 S384 V404	M218-V220 HydrophobicContact CE-CG1 3.46Å; M218-V220 VanDerWaalsContact CE-CG1 3.46Å; V220-S384 WeakPolarHBondContact CG1-O 3.33Å; V220-S384 WeakPolarHBondContact CG2-O 3.1Å; V220-V404 HydrophobicContact CB-CG1 4.13Å; V220-V404 HydrophobicContact CG1-CG1 4.15Å; V220-V404 HydrophobicContact CG1-CG2 4.2Å
221	K	94.4	Very high	96.6	Very high	191 Å²	191	59.6 Å²	59.6	83%	0.83	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-45.8	179.6	-65.2	179	172.8	176.9	0	109.9	D219 R223	D219-K221 WeakPolarHBondContact OD1-CA 3.35Å; D219-K221 VanDerWaalsContact OD1-CB 3.3Å; D219-K221 WeakPolarHBondContact OD1-CB 3.31Å; D219-K221 PolarHBondContact OD1-N 3.3Å; K221-R223 VanDerWaalsContact C-N 3.33Å
222	T	94.8	Very high	96.5	Very high	59 Å²	59	62.6 Å²	62.6	36%	0.362	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-1.8	176.5	64.8	0	0	0	0	113	D219 S224 R232	D219-T222 WeakPolarHBondContact CB-OG1 3.46Å; D219-T222 VanDerWaalsContact CG-OG1 3.25Å; D219-T222 PolarHBondContact OD1-N 2.97Å; D219-T222 VanDerWaalsContact OD1-N 3.14Å; T222-S224 PolarHBondContact O-N 3.42Å; T222-S224 PolarHBondContact OG1-OG 3.15Å; T222-R232 PolarHBondContact OG1-NH2 3.01Å
223	R	97.1	Very high	96.5	Very high	106 Å²	106	56.6 Å²	56.6	40%	0.4	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.8	56	-176.7	-60.4	-178	172.8	-168.5	-5.3	112.5	D219 K221 E234 Y235 D405	D219-R223 CarbonylContact O-C 3.59Å; D219-R223 VanDerWaalsContact O-CA 3.28Å; D219-R223 WeakPolarHBondContact O-CA 3.19Å; D219-R223 PolarHBondContact O-N 3.4Å; K221-R223 VanDerWaalsContact C-N 3.33Å; R223-E234 CarbonylContact O-C 3.46Å; R223-E234 WeakPolarHBondContact O-CA 3.16Å; R223-Y235 HydrophobicContact CB-CD2 4.14Å; R223-Y235 HydrophobicContact CB-CE2 3.84Å; R223-Y235 WeakPolarHBondContact CB-O 3.31Å; R223-Y235 HydrophobicContact CG-CE2 4.38Å; R223-Y235 VanDerWaalsContact O-CD1 3.23Å; R223-Y235 WeakPolarHBondContact O-CD1 3.4Å; R223-Y235 WeakPolarHBondContact O-CE1 3.49Å; R223-Y235 PolarHBondContact O-N 3.45Å; R223-D405 IonicContact NH2-OD2 2.76Å
224	S	97.3	Very high	96.6	Very high	2 Å²	2	58.8 Å²	58.8	1%	0.014	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	153	-177.9	65	0	0	0	0	113	D219 T222 R232 M233	D219-S224 PolarHBondContact N-O 3.47Å; D219-S224 PolarHBondContact O-N 2.95Å; T222-S224 PolarHBondContact O-N 3.42Å; T222-S224 PolarHBondContact OG1-OG 3.15Å; S224-R232 PolarHBondContact OG-NE 3.28Å; S224-R232 PolarHBondContact OG-NH2 2.81Å; S224-M233 CarbonylContact C-O 3.52Å; S224-M233 VanDerWaalsContact CA-O 3.22Å; S224-M233 WeakPolarHBondContact CA-O 3.33Å; S224-M233 WeakPolarHBondContact CB-O 3.39Å
225	V	97.8	Very high	96.6	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	154.1	166.1	-55.2	0	0	0	0	110.7	L143 V215 A217 M218 F227 R232 M233 Y235 L238	L143-V225 HydrophobicContact CD2-CB 4.27Å; L143-V225 HydrophobicContact CD2-CG1 3.83Å; L143-V225 HydrophobicContact CD2-CG2 3.42Å; L143-V225 VanDerWaalsContact CD2-CG2 3.42Å; V215-V225 HydrophobicContact CG1-CB 3.87Å; V215-V225 HydrophobicContact CG1-CG1 4.18Å; V215-V225 HydrophobicContact CG2-CB 4.34Å; V215-V225 HydrophobicContact CG2-CG2 4.18Å; A217-V225 WeakPolarHBondContact O-CA 3.43Å; M218-V225 HydrophobicContact CG-CG1 4.26Å; V225-F227 HydrophobicContact CG2-CE1 4.33Å; V225-F227 HydrophobicContact CG2-CE2 4.08Å; V225-F227 HydrophobicContact CG2-CZ 3.88Å; V225-R232 WeakPolarHBondContact O-CA 3.28Å; V225-R232 WeakPolarHBondContact O-CG 3.28Å; V225-M233 HydrophobicContact CG2-CB 4.26Å; V225-M233 PolarHBondContact N-O 2.68Å; V225-M233 PolarHBondContact O-N 3.44Å; V225-Y235 HydrophobicContact CG1-CD1 4.36Å; V225-Y235 HydrophobicContact CG1-CE1 4.07Å; V225-L238 HydrophobicContact CG1-CD1 4.33Å; V225-L238 HydrophobicContact CG1-CD2 4.5Å
226	T	97.6	Very high	96.5	Very high	47 Å²	47	63 Å²	63	29%	0.288	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	130.8	170.7	-57	0	0	0	0	109	V216 A217	V216-T226 HydrophobicContact CG2-CG2 4.36Å; V216-T226 WeakPolarHBondContact CG2-O 3.25Å; V216-T226 PolarHBondContact N-O 2.89Å; A217-T226 PolarHBondContact N-O 3.42Å; A217-T226 PolarHBondContact O-N 2.89Å
227	F	97.6	Very high	96.5	Very high	2 Å²	2	62.5 Å²	62.5	1%	0.009	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	159.3	175.1	-60.4	-75.4	0	0	0	111.3	C170 K213 E214 V215 V225 D229 G230 L231 M233	C170-F227 HydrophobicContact CB-CE1 3.84Å; C170-F227 HydrophobicContact CB-CZ 4.21Å; K213-F227 HydrophobicContact CB-CD1 3.71Å; K213-F227 HydrophobicContact CB-CE1 3.83Å; K213-F227 HydrophobicContact CB-CG 4.48Å; K213-F227 HydrophobicContact CG-CD1 4.47Å; E214-F227 CarbonylContact O-C 3.36Å; E214-F227 WeakPolarHBondContact O-CA 3.34Å; V215-F227 HydrophobicContact CG2-CD1 3.77Å; V215-F227 HydrophobicContact CG2-CE1 3.55Å; V215-F227 HydrophobicContact CG2-CZ 4.48Å; V225-F227 HydrophobicContact CG2-CE1 4.33Å; V225-F227 HydrophobicContact CG2-CE2 4.08Å; V225-F227 HydrophobicContact CG2-CZ 3.88Å; F227-D229 WeakPolarHBondContact CB-OD1 3.38Å; F227-D229 PolarHBondContact O-N 3.36Å; F227-G230 PolarHBondContact O-N 3.25Å; F227-L231 HydrophobicContact CB-CB 4.41Å; F227-L231 HydrophobicContact CD2-CB 3.88Å; F227-L231 HydrophobicContact CD2-CD2 3.97Å; F227-L231 HydrophobicContact CD2-CG 3.94Å; F227-L231 VanDerWaalsContact CD2-O 3.29Å; F227-L231 WeakPolarHBondContact CD2-O 3.16Å; F227-L231 HydrophobicContact CE2-CD2 4.15Å; F227-L231 HydrophobicContact CE2-CG 4.37Å; F227-L231 PolarHBondContact N-O 3.32Å; F227-M233 HydrophobicContact CE2-CB 3.81Å; F227-M233 HydrophobicContact CE2-CE 4.29Å; F227-M233 HydrophobicContact CZ-CB 4.36Å; F227-M233 HydrophobicContact CZ-CE 4.42Å
228	E	97.5	Very high	96.6	Very high	135 Å²	135	60.6 Å²	60.6	63%	0.631	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-34.9	178.3	-172.2	86.6	-136.8	0	0	112.6	E214 V216 G230	E214-E228 HydrophobicContact CB-CB 4.35Å; E214-E228 PolarHBondContact O-N 3.02Å; V216-E228 HydrophobicContact CG1-CB 3.86Å; V216-E228 HydrophobicContact CG1-CG 4.4Å; V216-E228 WeakPolarHBondContact CG1-OE2 3.35Å; E228-G230 PolarHBondContact O-N 2.76Å
229	D	95.4	Very high	96.7	Very high	94 Å²	94	60 Å²	60	50%	0.503	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	6.1	178.6	67.9	-1	0	0	0	114.4	K213 F227 L231	K213-D229 IonicContact NZ-OD2 2.66Å; K213-D229 PolarHBondContact NZ-OD2 3.21Å; F227-D229 WeakPolarHBondContact CB-OD1 3.38Å; F227-D229 PolarHBondContact O-N 3.36Å; D229-L231 VanDerWaalsContact C-N 3.29Å; D229-L231 PolarHBondContact O-N 3.27Å; D229-L231 VanDerWaalsContact OD1-CB 3.24Å; D229-L231 WeakPolarHBondContact OD1-CB 3.16Å; D229-L231 PolarHBondContact OD1-N 2.87Å
230	G	95.4	Very high	96.9	Very high	56 Å²	56	57 Å²	57	58%	0.577	28%	0.276	S	S	*	.	S	Bend	trans	83.5	-6.3	179.6	0	0	0	0	0	114.7	F227 E228 R232	F227-G230 PolarHBondContact O-N 3.25Å; E228-G230 PolarHBondContact O-N 2.76Å; G230-R232 PolarHBondContact O-N 2.96Å
231	L	94.8	Very high	97	Very high	53 Å²	53	55.7 Å²	55.7	28%	0.277	27%	0.269	S	S	.	.			trans	-60.5	141	172.7	179.7	68.7	0	0	0	109.5	F227 D229	F227-L231 HydrophobicContact CB-CB 4.41Å; F227-L231 HydrophobicContact CD2-CB 3.88Å; F227-L231 HydrophobicContact CD2-CD2 3.97Å; F227-L231 HydrophobicContact CD2-CG 3.94Å; F227-L231 VanDerWaalsContact CD2-O 3.29Å; F227-L231 WeakPolarHBondContact CD2-O 3.16Å; F227-L231 HydrophobicContact CE2-CD2 4.15Å; F227-L231 HydrophobicContact CE2-CG 4.37Å; F227-L231 PolarHBondContact N-O 3.32Å; D229-L231 VanDerWaalsContact C-N 3.29Å; D229-L231 PolarHBondContact O-N 3.27Å; D229-L231 VanDerWaalsContact OD1-CB 3.24Å; D229-L231 WeakPolarHBondContact OD1-CB 3.16Å; D229-L231 PolarHBondContact OD1-N 2.87Å
232	R	96	Very high	97.2	Very high	113 Å²	113	48.1 Å²	48.1	43%	0.426	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	138.1	175	-172.7	179.2	-179.1	-173.7	2.6	109.9	T222 S224 V225 G230	T222-R232 PolarHBondContact OG1-NH2 3.01Å; S224-R232 PolarHBondContact OG-NE 3.28Å; S224-R232 PolarHBondContact OG-NH2 2.81Å; V225-R232 WeakPolarHBondContact O-CA 3.28Å; V225-R232 WeakPolarHBondContact O-CG 3.28Å; G230-R232 PolarHBondContact O-N 2.96Å
233	M	96.7	Very high	97.3	Very high	2 Å²	2	46 Å²	46	1%	0.01	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	120.9	174.1	-175.9	176.8	-60	0	0	110.8	T137 G138 L143 V168 L210 S224 V225 F227	T137-M233 WeakPolarHBondContact O-CE 3.22Å; G138-M233 CarbonylContact O-C 3.53Å; G138-M233 WeakPolarHBondContact O-CA 3.42Å; L143-M233 HydrophobicContact CD1-SD 3.68Å; L143-M233 HydrophobicContact CD2-CG 4.4Å; L143-M233 HydrophobicContact CD2-SD 4.22Å; L143-M233 HydrophobicContact CG-SD 4.42Å; V168-M233 HydrophobicContact CB-SD 4.25Å; V168-M233 HydrophobicContact CG1-CE 4.08Å; V168-M233 HydrophobicContact CG1-SD 4.06Å; V168-M233 HydrophobicContact CG2-SD 4.45Å; L210-M233 HydrophobicContact CD1-CE 3.66Å; S224-M233 CarbonylContact C-O 3.52Å; S224-M233 VanDerWaalsContact CA-O 3.22Å; S224-M233 WeakPolarHBondContact CA-O 3.33Å; S224-M233 WeakPolarHBondContact CB-O 3.39Å; V225-M233 HydrophobicContact CG2-CB 4.26Å; V225-M233 PolarHBondContact N-O 2.68Å; V225-M233 PolarHBondContact O-N 3.44Å; F227-M233 HydrophobicContact CE2-CB 3.81Å; F227-M233 HydrophobicContact CE2-CE 4.29Å; F227-M233 HydrophobicContact CZ-CB 4.36Å; F227-M233 HydrophobicContact CZ-CE 4.42Å
234	E	97.4	Very high	97.3	Very high	94 Å²	94	41.3 Å²	41.3	44%	0.439	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	152.1	169.8	-67.2	-179.4	-175.8	0	0	111.1	G138 F139 S140 R223	G138-E234 PolarHBondContact O-N 2.83Å; F139-E234 CarbonylContact C-O 3.57Å; F139-E234 WeakPolarHBondContact CA-O 3.49Å; F139-E234 HydrophobicContact CD2-CB 3.88Å; S140-E234 PolarHBondContact N-O 2.92Å; R223-E234 CarbonylContact O-C 3.46Å; R223-E234 WeakPolarHBondContact O-CA 3.16Å
235	Y	97.2	Very high	97.1	Very high	7 Å²	7	45.7 Å²	45.7	3%	0.027	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	148.7	-179.4	60.2	-101.1	0	0	0	112.8	S140 L143 R223 V225 L238 V407	S140-Y235 CarbonylContact O-C 3.5Å; S140-Y235 VanDerWaalsContact O-CA 3.24Å; S140-Y235 WeakPolarHBondContact O-CA 3.5Å; L143-Y235 HydrophobicContact CD2-CD1 4.14Å; R223-Y235 HydrophobicContact CB-CD2 4.14Å; R223-Y235 HydrophobicContact CB-CE2 3.84Å; R223-Y235 WeakPolarHBondContact CB-O 3.31Å; R223-Y235 HydrophobicContact CG-CE2 4.38Å; R223-Y235 VanDerWaalsContact O-CD1 3.23Å; R223-Y235 WeakPolarHBondContact O-CD1 3.4Å; R223-Y235 WeakPolarHBondContact O-CE1 3.49Å; R223-Y235 PolarHBondContact O-N 3.45Å; V225-Y235 HydrophobicContact CG1-CD1 4.36Å; V225-Y235 HydrophobicContact CG1-CE1 4.07Å; Y235-L238 HydrophobicContact CD1-CB 4.3Å; Y235-L238 HydrophobicContact CD1-CD1 4.3Å; Y235-L238 HydrophobicContact CD2-CB 3.68Å; Y235-L238 HydrophobicContact CE1-CB 4.2Å; Y235-L238 HydrophobicContact CE1-CD1 4.38Å; Y235-L238 HydrophobicContact CE1-CD2 3.82Å; Y235-L238 HydrophobicContact CE1-CG 4.37Å; Y235-L238 HydrophobicContact CE2-CB 3.59Å; Y235-L238 HydrophobicContact CE2-CD2 4.32Å; Y235-L238 HydrophobicContact CG-CB 4.06Å; Y235-V407 HydrophobicContact CE2-CG2 4.21Å
236	R	96.7	Very high	96.9	Very high	152 Å²	152	47.6 Å²	47.6	57%	0.574	25%	0.245	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-83.3	-43.7	164.7	-178.3	177.9	-178.2	159.2	0.4	111.9	F139 S140 H141	F139-R236 HydrophobicContact CZ-CB 4.29Å; S140-R236 PolarHBondContact O-N 3.03Å; H141-R236 WeakPolarHBondContact O-CB 3.48Å
237	K	98.4	Very high	96.7	Very high	47 Å²	47	50.9 Å²	50.9	20%	0.204	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	145.5	173.2	-61.1	-66.3	-173.1	-179.9	0	109.6	H141 V142 L143 G406 F408 M445	H141-K237 PolarHBondContact O-N 3.21Å; V142-K237 WeakPolarHBondContact CA-O 3.2Å; V142-K237 HydrophobicContact CG2-CB 4.32Å; L143-K237 PolarHBondContact N-O 3.27Å; K237-G406 VanDerWaalsContact CA-O 3.31Å; K237-G406 WeakPolarHBondContact CA-O 3.11Å; K237-G406 VanDerWaalsContact CD-CA 3.43Å; K237-F408 HydrophobicContact CD-CE2 4.32Å; K237-M445 HydrophobicContact CB-CE 4.36Å; K237-M445 HydrophobicContact CB-SD 4.29Å
238	L	98.8	Very high	96.4	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	134.5	178.9	178.9	66.7	0	0	0	110.1	L143 V145 M218 V225 Y235 I240 G406 V407 F408 M445	L143-L238 HydrophobicContact CB-CD1 3.97Å; L143-L238 HydrophobicContact CD2-CD1 3.92Å; L143-L238 HydrophobicContact CG-CD1 3.82Å; L143-L238 CarbonylContact O-C 3.59Å; L143-L238 WeakPolarHBondContact O-CA 3.24Å; L143-L238 WeakPolarHBondContact O-CD1 3.46Å; V145-L238 HydrophobicContact CG2-CD1 3.76Å; M218-L238 HydrophobicContact CG-CD2 4.33Å; M218-L238 HydrophobicContact SD-CD2 3.24Å; M218-L238 WeakPolarHBondContact SD-CD2 3.47Å; V225-L238 HydrophobicContact CG1-CD1 4.33Å; V225-L238 HydrophobicContact CG1-CD2 4.5Å; Y235-L238 HydrophobicContact CD1-CB 4.3Å; Y235-L238 HydrophobicContact CD1-CD1 4.3Å; Y235-L238 HydrophobicContact CD2-CB 3.68Å; Y235-L238 HydrophobicContact CE1-CB 4.2Å; Y235-L238 HydrophobicContact CE1-CD1 4.38Å; Y235-L238 HydrophobicContact CE1-CD2 3.82Å; Y235-L238 HydrophobicContact CE1-CG 4.37Å; Y235-L238 HydrophobicContact CE2-CB 3.59Å; Y235-L238 HydrophobicContact CE2-CD2 4.32Å; Y235-L238 HydrophobicContact CG-CB 4.06Å; L238-I240 HydrophobicContact CD2-CD1 4.12Å; L238-I240 HydrophobicContact CD2-CG1 3.89Å; L238-I240 HydrophobicContact CG-CG1 4.03Å; L238-G406 PolarHBondContact N-O 3.06Å; L238-V407 HydrophobicContact CB-CG1 4.37Å; L238-V407 HydrophobicContact CB-CG2 4.32Å; L238-V407 HydrophobicContact CD2-CG1 4.08Å; L238-V407 HydrophobicContact CG-CG1 4.44Å; L238-F408 PolarHBondContact O-N 3.28Å; L238-M445 WeakPolarHBondContact O-CE 3.47Å
239	F	98.9	Very high	96.1	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	115.9	166.8	-171.8	-135.7	0	0	0	110.6	L143 I144 V145 A150 C154 A241 F408 G410 A441 M445	L143-F239 PolarHBondContact O-N 3.27Å; I144-F239 WeakPolarHBondContact CA-O 3.2Å; I144-F239 HydrophobicContact CB-CB 4.48Å; I144-F239 HydrophobicContact CG1-CB 4.11Å; I144-F239 HydrophobicContact CG2-CB 4.36Å; I144-F239 HydrophobicContact CG2-CD1 3.85Å; V145-F239 PolarHBondContact N-O 3.42Å; A150-F239 HydrophobicContact CB-CE1 4.04Å; A150-F239 HydrophobicContact CB-CZ 4.1Å; A150-F239 WeakPolarHBondContact O-CE1 3.43Å; C154-F239 HydrophobicContact CB-CD1 3.69Å; C154-F239 HydrophobicContact CB-CE1 3.66Å; C154-F239 HydrophobicContact CB-CZ 4.49Å; F239-A241 HydrophobicContact CD1-CB 4.05Å; F239-A241 HydrophobicContact CE1-CB 3.73Å; F239-A241 HydrophobicContact CZ-CB 4.24Å; F239-F408 CarbonylContact C-O 3.47Å; F239-F408 WeakPolarHBondContact CA-O 3.41Å; F239-F408 HydrophobicContact CD2-CB 3.84Å; F239-G410 VanDerWaalsContact CE2-N 3.33Å; F239-A441 HydrophobicContact CD2-CB 3.73Å; F239-A441 HydrophobicContact CE2-CB 3.34Å; F239-A441 HydrophobicContact CZ-CB 3.93Å; F239-M445 HydrophobicContact CB-CE 3.56Å; F239-M445 HydrophobicContact CG-CE 4.35Å
240	I	98.9	Very high	96	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	107.2	177.2	-56	167.1	0	0	0	109.3	M218 L238 F380 L381 I394 V407 F408 A409 G410	M218-I240 HydrophobicContact SD-CD1 4.14Å; L238-I240 HydrophobicContact CD2-CD1 4.12Å; L238-I240 HydrophobicContact CD2-CG1 3.89Å; L238-I240 HydrophobicContact CG-CG1 4.03Å; I240-F380 HydrophobicContact CG2-CZ 3.83Å; I240-L381 HydrophobicContact CD1-CD1 4.35Å; I240-L381 HydrophobicContact CD1-CD2 4.04Å; I240-I394 HydrophobicContact CB-CD1 4.03Å; I240-I394 HydrophobicContact CD1-CD1 4.16Å; I240-I394 HydrophobicContact CG2-CD1 3.56Å; I240-V407 HydrophobicContact CD1-CG1 3.87Å; I240-V407 HydrophobicContact CG1-CG1 4.46Å; I240-F408 PolarHBondContact N-O 2.86Å; I240-A409 HydrophobicContact CB-CB 4.02Å; I240-A409 CarbonylContact O-C 3.57Å; I240-A409 WeakPolarHBondContact O-CA 3.49Å; I240-A409 WeakPolarHBondContact O-CB 3.49Å; I240-G410 PolarHBondContact O-N 3.11Å
241	A	98.7	Very high	96	Very high	10 Å²	10	51.3 Å²	51.3	8%	0.083	26%	0.26	C	S	.	.			trans	-128.5	40	178.6	0	0	0	0	0	111.2	V145 A150 S151 F239 G243	V145-A241 CarbonylContact O-C 3.43Å; V145-A241 VanDerWaalsContact O-CA 3.25Å; V145-A241 WeakPolarHBondContact O-CA 3.29Å; V145-A241 PolarHBondContact O-N 2.95Å; A150-A241 HydrophobicContact CB-CB 4.07Å; S151-A241 VanDerWaalsContact OG-CB 3.27Å; S151-A241 WeakPolarHBondContact OG-CB 3.48Å; F239-A241 HydrophobicContact CD1-CB 4.05Å; F239-A241 HydrophobicContact CE1-CB 3.73Å; F239-A241 HydrophobicContact CZ-CB 4.24Å; A241-G243 PolarHBondContact O-N 2.79Å; A241-G243 VanDerWaalsContact O-N 3.11Å
242	S	98.1	Very high	96.2	Very high	31 Å²	31	55.4 Å²	55.4	22%	0.217	28%	0.275	C	S	.	.			trans	-67.2	-9	-177.9	58	0	0	0	0	114.2	V145 A377	V145-S242 PolarHBondContact O-N 2.92Å; S242-A377 WeakPolarHBondContact O-CB 3.42Å; S242-A377 PolarHBondContact OG-O 2.87Å
243	G	97.4	Very high	96.2	Very high	14 Å²	14	51 Å²	51	14%	0.144	26%	0.264	C	S	.	.			trans	65.6	-134.4	175.5	0	0	0	0	0	113	A241 A377 V413	A241-G243 PolarHBondContact O-N 2.79Å; A241-G243 VanDerWaalsContact O-N 3.11Å; G243-A377 PolarHBondContact O-N 3.45Å; G243-V413 WeakPolarHBondContact O-CB 3.46Å
244	S	96	Very high	96.1	Very high	8 Å²	8	57.3 Å²	57.3	6%	0.056	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	152.5	-173.1	60.4	0	0	0	0	112.2	R263 V375 D412	S244-R263 PolarHBondContact O-NH2 3.45Å; S244-V375 CarbonylContact C-O 3.52Å; S244-V375 WeakPolarHBondContact CA-O 3.32Å; S244-V375 WeakPolarHBondContact CB-O 3.48Å; S244-D412 PolarHBondContact OG-OD2 2.78Å
245	K	94.6	Very high	96	Very high	95 Å²	95	59.5 Å²	59.5	41%	0.413	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	153.1	171.5	-70.1	-176.8	176.5	-171	0	109.5	E214 K247 S374 V375 A377	E214-K245 IonicContact OE1-NZ 3.96Å; E214-K245 PolarHBondContact OE1-NZ 2.83Å; E214-K245 VanDerWaalsContact OE1-NZ 3.15Å; K245-K247 PolarHBondContact O-N 3.45Å; K245-S374 CarbonylContact O-C 3.59Å; K245-S374 VanDerWaalsContact O-CA 3.23Å; K245-S374 WeakPolarHBondContact O-CA 3.43Å; K245-S374 VanDerWaalsContact O-CB 3.27Å; K245-S374 WeakPolarHBondContact O-CB 3.47Å; K245-V375 PolarHBondContact N-O 2.9Å; K245-V375 PolarHBondContact O-N 3.41Å; K245-A377 HydrophobicContact CD-CB 4.33Å; K245-A377 HydrophobicContact CG-CB 3.94Å
246	P	93.8	Very high	96	Very high	40 Å²	40	60 Å²	60	26%	0.26	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.6	140.4	175.7	-24.8	33.9	0	0	0	111.9	P248 H261 R263	P246-P248 WeakPolarHBondContact O-CD 3.27Å; P246-H261 HydrophobicContact CB-CB 4.21Å; P246-H261 WeakPolarHBondContact CB-ND1 3.48Å; P246-H261 HydrophobicContact CG-CB 3.62Å; P246-R263 HydrophobicContact CG-CG 4.3Å
247	K	93.1	Very high	96	Very high	116 Å²	116	59.6 Å²	59.6	50%	0.504	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-65.7	127.2	178.3	-177.3	178.1	177.1	-175.8	0	109	K245 M249 G373 V375	K245-K247 PolarHBondContact O-N 3.45Å; K247-M249 PolarHBondContact O-N 2.93Å; K247-G373 WeakPolarHBondContact CB-O 3.5Å; K247-G373 PolarHBondContact N-O 3.28Å; K247-V375 HydrophobicContact CB-CG1 4.33Å; K247-V375 HydrophobicContact CG-CG1 4.17Å
248	P	90.3	Very high	96	Very high	106 Å²	106	58.7 Å²	58.7	69%	0.688	31%	0.306	S	S	*	.	P	Polyproline II helix	trans	-57.2	136.3	174.5	-25.4	34.6	0	0	0	111.3	P246	P246-P248 WeakPolarHBondContact O-CD 3.27Å
249	M	92.1	Very high	96	Very high	45 Å²	45	60.2 Å²	60.2	22%	0.222	32%	0.316	C	S	.	.			trans	-118.1	152.6	175.7	-78.3	-178.4	63.4	0	0	110.9	K247 Y251 K254 V283 I370 A372	K247-M249 PolarHBondContact O-N 2.93Å; M249-Y251 HydrophobicContact CB-CD1 3.81Å; M249-Y251 HydrophobicContact CB-CE1 3.84Å; M249-Y251 HydrophobicContact CE-CD1 4.43Å; M249-K254 VanDerWaalsContact O-CE 3.3Å; M249-K254 WeakPolarHBondContact O-CE 3.49Å; M249-K254 PolarHBondContact O-NZ 3.41Å; M249-V283 HydrophobicContact CE-CG1 3.74Å; M249-V283 HydrophobicContact SD-CG1 4.28Å; M249-I370 HydrophobicContact SD-CG2 3.42Å; M249-I370 WeakPolarHBondContact SD-CG2 3.24Å; M249-A372 HydrophobicContact CG-CB 4.45Å; M249-A372 HydrophobicContact SD-CB 3.5Å; M249-A372 WeakPolarHBondContact SD-CB 3.2Å
250	S	92.8	Very high	95.9	Very high	112 Å²	112	61.8 Å²	61.8	78%	0.783	32%	0.323	S	S	*	.			trans	-105.5	110.4	175.5	-172	0	0	0	0	109.6
251	Y	95.7	Very high	95.7	Very high	33 Å²	33	64.9 Å²	64.9	13%	0.129	34%	0.337	C	S	.	.			trans	-157.1	158.4	172.9	58.9	-91.9	0	0	0	108.3	M249 K254 V342 S343 M345 I370	M249-Y251 HydrophobicContact CB-CD1 3.81Å; M249-Y251 HydrophobicContact CB-CE1 3.84Å; M249-Y251 HydrophobicContact CE-CD1 4.43Å; Y251-K254 HydrophobicContact CD2-CG 4.34Å; Y251-K254 HydrophobicContact CE2-CG 3.95Å; Y251-V342 HydrophobicContact CG-CG1 4.31Å; Y251-S343 WeakPolarHBondContact CA-O 3.38Å; Y251-S343 WeakPolarHBondContact CB-O 3.1Å; Y251-M345 HydrophobicContact CD2-CE 4.49Å; Y251-M345 HydrophobicContact CD2-CG 3.63Å; Y251-M345 HydrophobicContact CE2-CE 4.3Å; Y251-M345 HydrophobicContact CE2-CG 3.56Å; Y251-I370 HydrophobicContact CE1-CD1 3.94Å; Y251-I370 WeakPolarHBondContact OH-CD1 3.39Å
252	K	98	Very high	95.6	Very high	139 Å²	139	65.3 Å²	65.3	60%	0.604	34%	0.338	S	S	*	.	B	Isolated β-bridge	trans	-82.1	154.9	175.3	-63.3	178.8	-176.8	177.2	0	111.6	S343 E344 M345	K252-S343 PolarHBondContact N-O 2.94Å; K252-E344 HydrophobicContact CB-CB 3.98Å; K252-E344 HydrophobicContact CB-CG 3.74Å; K252-E344 WeakPolarHBondContact O-CA 3.33Å; K252-M345 PolarHBondContact O-N 2.79Å
253	G	96.6	Very high	95.4	Very high	19 Å²	19	67.8 Å²	67.8	20%	0.196	34%	0.342	C	S	.	.			trans	78.8	40.3	179.9	0	0	0	0	0	113.9	D255 V256	G253-D255 PolarHBondContact O-N 2.79Å; G253-V256 WeakPolarHBondContact O-CB 3.25Å; G253-V256 WeakPolarHBondContact O-CG2 3.42Å; G253-V256 PolarHBondContact O-N 3.02Å
254	K	94.8	Very high	95.3	Very high	136 Å²	136	68.7 Å²	68.7	59%	0.591	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-19.8	179.7	-69.7	-169.8	172.1	-171.5	0	113.9	M249 Y251	M249-K254 VanDerWaalsContact O-CE 3.3Å; M249-K254 WeakPolarHBondContact O-CE 3.49Å; M249-K254 PolarHBondContact O-NZ 3.41Å; Y251-K254 HydrophobicContact CD2-CG 4.34Å; Y251-K254 HydrophobicContact CE2-CG 3.95Å
255	D	94.7	Very high	95.4	Very high	139 Å²	139	68.3 Å²	68.3	74%	0.743	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-10.1	177.8	59.4	-47.7	0	0	0	113.1	G253 R257	G253-D255 PolarHBondContact O-N 2.79Å; D255-R257 PolarHBondContact O-N 2.86Å
256	V	97.3	Very high	95.5	Very high	17 Å²	17	66.9 Å²	66.9	10%	0.103	34%	0.337	C	S	.	.			trans	-66.8	126.3	177.6	178.8	0	0	0	0	110.4	G253 M345 L352	G253-V256 WeakPolarHBondContact O-CB 3.25Å; G253-V256 WeakPolarHBondContact O-CG2 3.42Å; G253-V256 PolarHBondContact O-N 3.02Å; V256-M345 HydrophobicContact CB-CB 4.39Å; V256-M345 HydrophobicContact CG2-CB 4.48Å; V256-L352 VanDerWaalsContact CG1-CA 3.5Å; V256-L352 HydrophobicContact CG1-CB 3.91Å; V256-L352 HydrophobicContact CG1-CD1 4.04Å
257	R	97.6	Very high	95.6	Very high	144 Å²	144	66.8 Å²	66.8	54%	0.543	34%	0.335	S	S	.	.	B	Isolated β-bridge	trans	-75.5	169.9	177.6	-61	-178.1	-67.5	168.7	-5.2	111.9	D255 V259 H349 G350 L352	D255-R257 PolarHBondContact O-N 2.86Å; R257-V259 PolarHBondContact O-N 3.15Å; R257-H349 PolarHBondContact NH2-O 3.46Å; R257-G350 WeakPolarHBondContact CB-O 3.33Å; R257-G350 PolarHBondContact N-O 3.23Å; R257-G350 PolarHBondContact NE-O 3.49Å; R257-L352 WeakPolarHBondContact O-CB 3.35Å; R257-L352 PolarHBondContact O-N 3.13Å; R257-L352 VanDerWaalsContact O-N 3.09Å
258	N	98.1	Very high	95.8	Very high	29 Å²	29	61.3 Å²	61.3	16%	0.155	31%	0.311	C	S	.	.	S	Bend	trans	67.1	21.4	-173.8	-51.8	-11.7	0	0	0	114	F260 L274 L352 D366 V367 C368	N258-F260 HydrophobicContact CB-CE2 4.27Å; N258-L274 HydrophobicContact CB-CD1 4.23Å; N258-L352 HydrophobicContact CB-CB 4.24Å; N258-D366 VanDerWaalsContact CB-O 3.24Å; N258-D366 WeakPolarHBondContact CB-O 3.44Å; N258-D366 PolarHBondContact ND2-O 3.04Å; N258-D366 VanDerWaalsContact ND2-O 3.12Å; N258-V367 WeakPolarHBondContact O-CA 2.95Å; N258-C368 PolarHBondContact O-N 3.37Å
259	V	97.9	Very high	96.2	Very high	32 Å²	32	58.7 Å²	58.7	19%	0.194	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	117.7	169	-175.3	0	0	0	0	107.6	R257 M345 L352 C368 I370	R257-V259 PolarHBondContact O-N 3.15Å; V259-M345 HydrophobicContact CG1-CE 4.27Å; V259-M345 HydrophobicContact CG2-CG 4.39Å; V259-L352 HydrophobicContact CG2-CD1 4.19Å; V259-L352 HydrophobicContact CG2-CD2 4.4Å; V259-C368 CarbonylContact C-O 3.54Å; V259-C368 WeakPolarHBondContact CA-O 3.4Å; V259-C368 HydrophobicContact CG1-CB 4.32Å; V259-C368 HydrophobicContact CG2-CB 4.26Å; V259-I370 HydrophobicContact CG1-CD1 3.61Å; V259-I370 HydrophobicContact CG1-CG1 4.09Å
260	F	97.5	Very high	96.5	Very high	33 Å²	33	57.6 Å²	57.6	15%	0.145	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	147	-169.9	-63.8	-87.8	0	0	0	112.4	N258 I271 L274 V367 C368 V369 I370	N258-F260 HydrophobicContact CB-CE2 4.27Å; F260-I271 HydrophobicContact CB-CD1 3.78Å; F260-I271 HydrophobicContact CB-CG1 3.82Å; F260-I271 HydrophobicContact CD1-CG1 4.31Å; F260-I271 HydrophobicContact CD2-CG1 3.74Å; F260-I271 HydrophobicContact CE2-CG1 4.39Å; F260-I271 HydrophobicContact CG-CD1 4.18Å; F260-I271 HydrophobicContact CG-CG1 3.69Å; F260-L274 HydrophobicContact CE2-CD1 3.6Å; F260-L274 HydrophobicContact CZ-CD1 3.55Å; F260-V367 HydrophobicContact CD2-CG2 3.82Å; F260-V367 HydrophobicContact CE2-CG2 3.86Å; F260-C368 PolarHBondContact N-O 2.83Å; F260-V369 WeakPolarHBondContact O-CA 3.15Å; F260-I370 PolarHBondContact O-N 3.47Å
261	H	95.6	Very high	96.7	Very high	64 Å²	64	52.2 Å²	52.2	30%	0.296	25%	0.25	S	S	.	.			trans	-108.6	116	155.9	-65.4	-78.6	0	0	0	107.3	P246 R263 D267 I370	P246-H261 HydrophobicContact CB-CB 4.21Å; P246-H261 WeakPolarHBondContact CB-ND1 3.48Å; P246-H261 HydrophobicContact CG-CB 3.62Å; H261-R263 HydrophobicContact CB-CG 4.45Å; H261-R263 PolarHBondContact O-N 2.9Å; H261-D267 VanDerWaalsContact O-OD2 3.09Å; H261-I370 PolarHBondContact ND1-O 2.89Å
262	L	96	Very high	96.8	Very high	19 Å²	19	50.8 Å²	50.8	10%	0.099	25%	0.245	C	C	.	.			trans	-68.3	104	-177.3	178	62.2	0	0	0	111.3	L183 L187 D267 A268 I271 V288 V292	L183-L262 HydrophobicContact CB-CD1 4.13Å; L183-L262 HydrophobicContact CB-CD2 4.28Å; L183-L262 HydrophobicContact CB-CG 4.22Å; L187-L262 HydrophobicContact CD2-CD2 4.32Å; L262-D267 HydrophobicContact CD1-CB 4.06Å; L262-A268 HydrophobicContact CD1-CB 3.58Å; L262-I271 HydrophobicContact CB-CD1 4.23Å; L262-I271 HydrophobicContact CD1-CD1 4.12Å; L262-V288 HydrophobicContact CB-CG1 4.4Å; L262-V288 HydrophobicContact CD2-CG1 4.2Å; L262-V292 HydrophobicContact CD2-CG2 3.5Å
263	R	94	Very high	96.8	Very high	84 Å²	84	51.8 Å²	51.8	32%	0.317	25%	0.245	S	C	.	.			trans	-131.7	-30	-179.4	-63.4	-59.2	-60.4	179.6	-3.9	113.6	Y178 R180 L183 S244 P246 H261 D267	Y178-R263 PolarHBondContact OH-O 3.46Å; R180-R263 PolarHBondContact NH1-O 2.98Å; L183-R263 VanDerWaalsContact CD1-O 3.29Å; L183-R263 WeakPolarHBondContact CD1-O 3.35Å; S244-R263 PolarHBondContact O-NH2 3.45Å; P246-R263 HydrophobicContact CG-CG 4.3Å; H261-R263 HydrophobicContact CB-CG 4.45Å; H261-R263 PolarHBondContact O-N 2.9Å; R263-D267 WeakPolarHBondContact CA-OD2 3.34Å; R263-D267 PolarHBondContact N-OD2 3.06Å
264	T	95.6	Very high	96.9	Very high	32 Å²	32	53.2 Å²	53.2	20%	0.196	25%	0.248	C	C	.	.	S	Bend	trans	-123.3	165.2	-177.8	82.2	0	0	0	0	112.4	E266 D267 A268	T264-E266 VanDerWaalsContact CB-OE2 3.23Å; T264-E266 WeakPolarHBondContact CB-OE2 3.21Å; T264-E266 PolarHBondContact O-N 3.09Å; T264-E266 PolarHBondContact OG1-N 3.16Å; T264-E266 PolarHBondContact OG1-OE2 2.94Å; T264-D267 PolarHBondContact N-OD2 3.44Å; T264-D267 WeakPolarHBondContact O-CB 3.07Å; T264-D267 PolarHBondContact O-N 2.91Å; T264-D267 PolarHBondContact OG1-N 3.27Å; T264-A268 PolarHBondContact O-N 3Å; T264-A268 VanDerWaalsContact O-N 3.14Å
265	P	96.6	Very high	97	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.006	22%	0.22	C	C	.	.	H	α-helix	trans	-56.2	-36.2	169.6	-24.8	35.9	0	0	0	112.7	Y178 L183 A191 L194 A268 N269	Y178-P265 HydrophobicContact CD2-CG 4.42Å; Y178-P265 HydrophobicContact CE2-CG 4.23Å; L183-P265 HydrophobicContact CD2-CB 4.31Å; L183-P265 HydrophobicContact CD2-CG 4.02Å; A191-P265 HydrophobicContact CB-CB 4.31Å; A191-P265 HydrophobicContact CB-CG 3.94Å; L194-P265 HydrophobicContact CD1-CB 4.41Å; L194-P265 HydrophobicContact CD1-CG 4.14Å; P265-A268 WeakPolarHBondContact O-CB 3.17Å; P265-A268 PolarHBondContact O-N 3.49Å; P265-N269 WeakPolarHBondContact O-CB 3.34Å; P265-N269 PolarHBondContact O-N 2.78Å; P265-N269 PolarHBondContact O-ND2 3.49Å
266	E	96.6	Very high	97.2	Very high	65 Å²	65	44 Å²	44	30%	0.304	21%	0.205	S	C	.	.	H	α-helix	trans	-64.3	-40.7	177.3	-64	73.3	-163.9	0	0	112.5	H175 T264 S270	H175-E266 IonicContact CD2-OE1 2.94Å; H175-E266 IonicContact CE1-OE1 2.83Å; H175-E266 IonicContact NE2-OE1 3.28Å; H175-E266 PolarHBondContact NE2-OE1 3.11Å; H175-E266 IonicContact NE2-OE2 3.57Å; T264-E266 VanDerWaalsContact CB-OE2 3.23Å; T264-E266 WeakPolarHBondContact CB-OE2 3.21Å; T264-E266 PolarHBondContact O-N 3.09Å; T264-E266 PolarHBondContact OG1-N 3.16Å; T264-E266 PolarHBondContact OG1-OE2 2.94Å; E266-S270 WeakPolarHBondContact O-CB 3.33Å; E266-S270 PolarHBondContact O-N 3.41Å; E266-S270 PolarHBondContact O-OG 3.32Å
267	D	97.1	Very high	97.2	Very high	38 Å²	38	49 Å²	49	20%	0.203	23%	0.231	C	C	.	.	H	α-helix	trans	-59.8	-50.4	173.1	-62.2	-38.3	0	0	0	109.7	H261 L262 R263 T264 N269 S270 I271	H261-D267 VanDerWaalsContact O-OD2 3.09Å; L262-D267 HydrophobicContact CD1-CB 4.06Å; R263-D267 WeakPolarHBondContact CA-OD2 3.34Å; R263-D267 PolarHBondContact N-OD2 3.06Å; T264-D267 PolarHBondContact N-OD2 3.44Å; T264-D267 WeakPolarHBondContact O-CB 3.07Å; T264-D267 PolarHBondContact O-N 2.91Å; T264-D267 PolarHBondContact OG1-N 3.27Å; D267-N269 PolarHBondContact O-N 3.13Å; D267-S270 PolarHBondContact O-N 3.12Å; D267-I271 WeakPolarHBondContact O-CB 3.48Å; D267-I271 WeakPolarHBondContact O-CD1 3.43Å; D267-I271 WeakPolarHBondContact O-CG1 3.38Å; D267-I271 PolarHBondContact O-N 2.75Å
268	A	97.8	Very high	97.3	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.008	23%	0.226	C	C	.	.	H	α-helix	trans	-56.8	-51	-178.7	0	0	0	0	0	111.5	L183 L187 L262 T264 P265 S270 I271 A272	L183-A268 HydrophobicContact CD2-CB 4.27Å; L187-A268 HydrophobicContact CD2-CB 4.07Å; L187-A268 CarbonylContact O-C 3.58Å; L187-A268 WeakPolarHBondContact O-CB 3.36Å; L262-A268 HydrophobicContact CD1-CB 3.58Å; T264-A268 PolarHBondContact O-N 3Å; T264-A268 VanDerWaalsContact O-N 3.14Å; P265-A268 WeakPolarHBondContact O-CB 3.17Å; P265-A268 PolarHBondContact O-N 3.49Å; A268-S270 VanDerWaalsContact C-N 3.34Å; A268-S270 PolarHBondContact O-N 2.81Å; A268-I271 PolarHBondContact O-N 2.89Å; A268-A272 PolarHBondContact O-N 3.28Å
269	N	97.5	Very high	97.3	Very high	50 Å²	50	47.3 Å²	47.3	27%	0.267	23%	0.228	S	C	.	.	H	α-helix	trans	-66.4	-37.7	-178.7	-64.8	176.1	0	0	0	111.2	L187 E188 S189 P265 D267 A272 R273	L187-N269 WeakPolarHBondContact O-CA 3.38Å; L187-N269 PolarHBondContact O-N 2.92Å; L187-N269 PolarHBondContact O-ND2 3.04Å; E188-N269 WeakPolarHBondContact CA-ND2 3.48Å; S189-N269 PolarHBondContact O-ND2 3.26Å; S189-N269 VanDerWaalsContact O-ND2 3.12Å; P265-N269 WeakPolarHBondContact O-CB 3.34Å; P265-N269 PolarHBondContact O-N 2.78Å; P265-N269 PolarHBondContact O-ND2 3.49Å; D267-N269 PolarHBondContact O-N 3.13Å; N269-A272 PolarHBondContact O-N 3.28Å; N269-R273 WeakPolarHBondContact O-CB 3.13Å; N269-R273 PolarHBondContact O-N 2.86Å
270	S	97.9	Very high	97.3	Very high	22 Å²	22	45.8 Å²	45.8	15%	0.154	22%	0.219	C	C	.	.	H	α-helix	trans	-67.8	-40.9	177.2	-63.6	0	0	0	0	111.9	E266 D267 A268 R273 L274	E266-S270 WeakPolarHBondContact O-CB 3.33Å; E266-S270 PolarHBondContact O-N 3.41Å; E266-S270 PolarHBondContact O-OG 3.32Å; D267-S270 PolarHBondContact O-N 3.12Å; A268-S270 VanDerWaalsContact C-N 3.34Å; A268-S270 PolarHBondContact O-N 2.81Å; S270-R273 PolarHBondContact O-N 3.34Å; S270-R273 PolarHBondContact OG-NH2 3.26Å; S270-L274 VanDerWaalsContact O-CB 3.32Å; S270-L274 WeakPolarHBondContact O-CB 3.29Å; S270-L274 VanDerWaalsContact O-CG 3.28Å; S270-L274 WeakPolarHBondContact O-CG 3.36Å; S270-L274 PolarHBondContact O-N 3.15Å
271	I	98.4	Very high	97.4	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-58.5	-51.7	173.2	-70.8	161.9	0	0	0	110	L187 F260 L262 D267 A268 R273 L274 A275 V292 L296 V369	L187-I271 HydrophobicContact CD1-CG2 4.38Å; L187-I271 HydrophobicContact CD2-CG2 4.48Å; F260-I271 HydrophobicContact CB-CD1 3.78Å; F260-I271 HydrophobicContact CB-CG1 3.82Å; F260-I271 HydrophobicContact CD1-CG1 4.31Å; F260-I271 HydrophobicContact CD2-CG1 3.74Å; F260-I271 HydrophobicContact CE2-CG1 4.39Å; F260-I271 HydrophobicContact CG-CD1 4.18Å; F260-I271 HydrophobicContact CG-CG1 3.69Å; L262-I271 HydrophobicContact CB-CD1 4.23Å; L262-I271 HydrophobicContact CD1-CD1 4.12Å; D267-I271 WeakPolarHBondContact O-CB 3.48Å; D267-I271 WeakPolarHBondContact O-CD1 3.43Å; D267-I271 WeakPolarHBondContact O-CG1 3.38Å; D267-I271 PolarHBondContact O-N 2.75Å; A268-I271 PolarHBondContact O-N 2.89Å; I271-R273 PolarHBondContact O-N 3.49Å; I271-L274 PolarHBondContact O-N 3.39Å; I271-A275 WeakPolarHBondContact O-CB 3.18Å; I271-A275 PolarHBondContact O-N 3.17Å; I271-V292 HydrophobicContact CG2-CG1 4.24Å; I271-L296 HydrophobicContact CG2-CD1 3.9Å; I271-L296 HydrophobicContact CG2-CD2 4.29Å; I271-V369 HydrophobicContact CB-CG2 4.5Å; I271-V369 HydrophobicContact CD1-CG1 4.16Å; I271-V369 HydrophobicContact CD1-CG2 3.73Å; I271-V369 HydrophobicContact CG1-CG2 3.84Å; I271-V369 HydrophobicContact CG2-CG2 3.81Å
272	A	97.4	Very high	97.6	Very high	2 Å²	2	41.2 Å²	41.2	2%	0.017	20%	0.199	C	C	.	.	H	α-helix	trans	-58.5	-47.5	179.5	0	0	0	0	0	112.3	L187 E188 A268 N269 A275 N276	L187-A272 HydrophobicContact CB-CB 3.86Å; E188-A272 HydrophobicContact CG-CB 3.79Å; A268-A272 PolarHBondContact O-N 3.28Å; N269-A272 PolarHBondContact O-N 3.28Å; A272-A275 PolarHBondContact O-N 2.94Å; A272-N276 PolarHBondContact O-N 2.72Å
273	R	97.9	Very high	97.7	Very high	160 Å²	160	40.8 Å²	40.8	60%	0.604	20%	0.197	S	C	*	.	H	α-helix	trans	-62.4	-46.3	-179.6	-177.2	-179.9	63.4	-115.7	-7	112.3	N269 S270 I271	N269-R273 WeakPolarHBondContact O-CB 3.13Å; N269-R273 PolarHBondContact O-N 2.86Å; S270-R273 PolarHBondContact O-N 3.34Å; S270-R273 PolarHBondContact OG-NH2 3.26Å; I271-R273 PolarHBondContact O-N 3.49Å
274	L	97.9	Very high	97.8	Very high	49 Å²	49	37.3 Å²	37.3	26%	0.257	19%	0.187	S	C	.	.	H	α-helix	trans	-75.3	-28.4	-177	-69.4	169.3	0	0	0	112.8	N258 F260 S270 I271 N276 K278 V367	N258-L274 HydrophobicContact CB-CD1 4.23Å; F260-L274 HydrophobicContact CE2-CD1 3.6Å; F260-L274 HydrophobicContact CZ-CD1 3.55Å; S270-L274 VanDerWaalsContact O-CB 3.32Å; S270-L274 WeakPolarHBondContact O-CB 3.29Å; S270-L274 VanDerWaalsContact O-CG 3.28Å; S270-L274 WeakPolarHBondContact O-CG 3.36Å; S270-L274 PolarHBondContact O-N 3.15Å; I271-L274 PolarHBondContact O-N 3.39Å; L274-N276 VanDerWaalsContact C-N 3.35Å; L274-K278 WeakPolarHBondContact O-CB 3.48Å; L274-K278 WeakPolarHBondContact O-CG 3.48Å; L274-V367 HydrophobicContact CB-CB 4.22Å; L274-V367 HydrophobicContact CB-CG2 4.4Å
275	A	98.1	Very high	97.9	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-74.1	-24.7	177	0	0	0	0	0	113.1	I271 A272 N277 K278 A280 L296 A300 V367	I271-A275 WeakPolarHBondContact O-CB 3.18Å; I271-A275 PolarHBondContact O-N 3.17Å; A272-A275 PolarHBondContact O-N 2.94Å; A275-N277 PolarHBondContact O-N 3.35Å; A275-N277 VanDerWaalsContact O-N 3.15Å; A275-K278 PolarHBondContact O-N 2.98Å; A275-A280 HydrophobicContact CB-CB 4.5Å; A275-L296 HydrophobicContact CB-CD1 3.95Å; A275-L296 HydrophobicContact CB-CD2 3.57Å; A275-L296 HydrophobicContact CB-CG 4.3Å; A275-A300 HydrophobicContact CB-CB 4.48Å; A275-A300 VanDerWaalsContact O-CA 3.29Å; A275-A300 WeakPolarHBondContact O-CA 3.36Å; A275-V367 HydrophobicContact CB-CG1 3.85Å
276	N	98.1	Very high	97.7	Very high	83 Å²	83	38.8 Å²	38.8	44%	0.444	20%	0.198	S	C	.	.	B	Isolated β-bridge	trans	-56.7	117.8	-173.4	-172	53	0	0	0	112.4	A272 L274 K278 K299	A272-N276 PolarHBondContact O-N 2.72Å; L274-N276 VanDerWaalsContact C-N 3.35Å; N276-K278 WeakPolarHBondContact O-CG 3.34Å; N276-K278 PolarHBondContact O-N 3.02Å; N276-K299 CarbonylContact C-O 3.54Å; N276-K299 WeakPolarHBondContact CA-O 3.19Å
277	N	98.2	Very high	97.7	Very high	121 Å²	121	37.9 Å²	37.9	65%	0.647	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	54	29.1	-173	-62.7	-46	0	0	0	114.6	A275 K299	A275-N277 PolarHBondContact O-N 3.35Å; A275-N277 VanDerWaalsContact O-N 3.15Å; N277-K299 PolarHBondContact N-O 2.83Å
278	K	98.6	Very high	97.6	Very high	99 Å²	99	38.9 Å²	38.9	43%	0.43	20%	0.201	S	C	.	.	S	Bend	trans	-128	174	-178.6	-65.3	-59.8	-179.2	-175.2	0	113	L274 A275 N276 H301 S302 D366	L274-K278 WeakPolarHBondContact O-CB 3.48Å; L274-K278 WeakPolarHBondContact O-CG 3.48Å; A275-K278 PolarHBondContact O-N 2.98Å; N276-K278 WeakPolarHBondContact O-CG 3.34Å; N276-K278 PolarHBondContact O-N 3.02Å; K278-H301 WeakPolarHBondContact O-CB 3.43Å; K278-H301 PolarHBondContact O-N 3.2Å; K278-S302 PolarHBondContact O-N 3.22Å; K278-D366 HydrophobicContact CB-CB 3.83Å; K278-D366 HydrophobicContact CD-CB 4.36Å; K278-D366 HydrophobicContact CG-CB 4.21Å
279	N	98.7	Very high	97.5	Very high	38 Å²	38	38.9 Å²	38.9	20%	0.203	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	118.3	178.6	-57	-74.5	0	0	0	110.2	H301 S302 R364 D366 V367	N279-H301 PolarHBondContact OD1-CD2 2.85Å; N279-S302 PolarHBondContact OD1-OG 2.96Å; N279-R364 WeakPolarHBondContact CB-O 3.23Å; N279-D366 PolarHBondContact N-OD2 3.44Å; N279-D366 PolarHBondContact ND2-OD2 3.24Å; N279-D366 PolarHBondContact O-N 2.66Å; N279-V367 PolarHBondContact O-N 3.36Å
280	A	98.8	Very high	97.5	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.008	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	131.5	177.1	0	0	0	0	0	111.1	A275 L296 A300 S302 V303 S304 V367	A275-A280 HydrophobicContact CB-CB 4.5Å; A280-L296 HydrophobicContact CB-CD1 3.95Å; A280-A300 HydrophobicContact CB-CB 4.34Å; A280-S302 PolarHBondContact N-O 2.75Å; A280-V303 WeakPolarHBondContact O-CA 3.3Å; A280-S304 PolarHBondContact O-N 3.16Å; A280-V367 WeakPolarHBondContact CA-O 3.4Å; A280-V367 HydrophobicContact CB-CG1 3.8Å
281	V	98.9	Very high	97.5	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.006	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	125.8	173.3	173.9	0	0	0	0	110.4	V283 S304 I306 V355 L363 A365 V367 C368 V369	V281-V283 HydrophobicContact CG1-CG2 4.46Å; V281-S304 CarbonylContact C-O 3.46Å; V281-S304 WeakPolarHBondContact CA-O 3.4Å; V281-I306 HydrophobicContact CG1-CD1 3.47Å; V281-I306 VanDerWaalsContact CG1-CD1 3.47Å; V281-I306 HydrophobicContact CG1-CG1 4.37Å; V281-V355 HydrophobicContact CB-CG2 4.11Å; V281-V355 HydrophobicContact CG1-CB 4.34Å; V281-V355 HydrophobicContact CG1-CG1 4.34Å; V281-V355 HydrophobicContact CG1-CG2 4.01Å; V281-V355 HydrophobicContact CG2-CG2 4.19Å; V281-L363 HydrophobicContact CG2-CB 4.27Å; V281-L363 HydrophobicContact CG2-CD1 4.37Å; V281-A365 HydrophobicContact CB-CB 4.13Å; V281-A365 HydrophobicContact CG2-CB 3.53Å; V281-V367 PolarHBondContact N-O 3.38Å; V281-C368 CarbonylContact O-C 3.57Å; V281-C368 WeakPolarHBondContact O-CA 3.5Å; V281-C368 PolarHBondContact O-SG 2.91Å; V281-C368 VanDerWaalsContact O-SG 3.37Å; V281-V369 PolarHBondContact O-N 3.05Å
282	I	98.8	Very high	97.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	127.6	177.8	-49.1	-58.4	0	0	0	108.9	G289 V292 A293 L296 V303 S304 V305 I306 V369	I282-G289 WeakPolarHBondContact CG2-O 3.28Å; I282-V292 HydrophobicContact CD1-CG1 3.83Å; I282-A293 HydrophobicContact CG1-CB 4Å; I282-L296 HydrophobicContact CD1-CD1 4.39Å; I282-V303 HydrophobicContact CG1-CG1 4.29Å; I282-S304 PolarHBondContact N-O 3.37Å; I282-V305 HydrophobicContact CB-CG2 4.12Å; I282-V305 HydrophobicContact CG1-CG2 4.41Å; I282-V305 CarbonylContact O-C 3.06Å; I282-V305 WeakPolarHBondContact O-CA 3.49Å; I282-I306 PolarHBondContact O-N 2.89Å; I282-V369 CarbonylContact C-O 3.58Å; I282-V369 WeakPolarHBondContact CA-O 3.44Å; I282-V369 HydrophobicContact CD1-CB 3.75Å; I282-V369 HydrophobicContact CD1-CG2 3.95Å
283	V	98.4	Very high	97.6	Very high	9 Å²	9	35.8 Å²	35.8	6%	0.055	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	110.3	178	-175.7	0	0	0	0	108.8	M249 V281 I306 V342 V369 I370 G371 A372	M249-V283 HydrophobicContact CE-CG1 3.74Å; M249-V283 HydrophobicContact SD-CG1 4.28Å; V281-V283 HydrophobicContact CG1-CG2 4.46Å; V283-I306 HydrophobicContact CG2-CD1 4.12Å; V283-V342 HydrophobicContact CB-CG2 4.47Å; V283-V342 HydrophobicContact CG1-CG2 3.97Å; V283-V342 HydrophobicContact CG2-CG2 3.59Å; V283-V369 PolarHBondContact N-O 2.77Å; V283-I370 HydrophobicContact CB-CG1 4.29Å; V283-I370 HydrophobicContact CG2-CG1 4.41Å; V283-G371 CarbonylContact O-C 3.57Å; V283-G371 WeakPolarHBondContact O-CA 3.21Å; V283-G371 PolarHBondContact O-N 2.92Å; V283-A372 PolarHBondContact O-N 3.28Å
284	G	97.1	Very high	97.6	Very high	11 Å²	11	28.6 Å²	28.6	11%	0.113	16%	0.156	C	C	.	.			trans	112.4	134.4	-180	0	0	0	0	0	113	I306	G284-I306 WeakPolarHBondContact CA-O 3.5Å; G284-I306 PolarHBondContact N-O 3.36Å
285	T	96.9	Very high	97.6	Very high	18 Å²	18	27.8 Å²	27.8	11%	0.11	16%	0.156	C	C	.	.			trans	-106.2	34.9	-175.9	53.2	0	0	0	0	112.5	M290 V305 P312 F313 M338	T285-M290 HydrophobicContact CG2-SD 4.46Å; T285-V305 HydrophobicContact CG2-CG1 3.68Å; T285-P312 HydrophobicContact CG2-CB 4.43Å; T285-F313 PolarHBondContact O-N 3.31Å; T285-F313 VanDerWaalsContact O-N 3.14Å; T285-M338 HydrophobicContact CG2-CE 3.84Å; T285-M338 HydrophobicContact CG2-SD 4.02Å
286	S	93.8	Very high	97.6	Very high	46 Å²	46	27.8 Å²	27.8	32%	0.322	16%	0.156	S	C	.	.	S	Bend	trans	-96.6	177.6	174.1	76.3	0	0	0	0	111.1	V288 G289 M290 G371	S286-V288 PolarHBondContact O-N 3.14Å; S286-G289 PolarHBondContact O-N 2.96Å; S286-M290 WeakPolarHBondContact O-CB 3.17Å; S286-M290 VanDerWaalsContact O-CG 3.28Å; S286-M290 WeakPolarHBondContact O-CG 3.25Å; S286-M290 PolarHBondContact O-N 3.24Å; S286-G371 PolarHBondContact OG-O 2.99Å
287	F	95	Very high	97.5	Very high	46 Å²	46	24.3 Å²	24.3	20%	0.202	14%	0.138	C	C	.	.	H	α-helix	trans	-54.1	-49	-173.2	-66.1	-71.7	0	0	0	113.6	G289 M290 E291 F313 A316 L317 F458 M462	F287-G289 PolarHBondContact O-N 3.15Å; F287-M290 PolarHBondContact O-N 3.32Å; F287-E291 VanDerWaalsContact O-CB 3.27Å; F287-E291 WeakPolarHBondContact O-CB 3.29Å; F287-E291 WeakPolarHBondContact O-CG 3.42Å; F287-E291 PolarHBondContact O-N 2.92Å; F287-F313 HydrophobicContact CB-CE1 4.37Å; F287-F313 HydrophobicContact CD1-CD1 4.01Å; F287-F313 AromaticContact CD1-CE1 3.4Å; F287-F313 HydrophobicContact CD1-CE1 3.4Å; F287-F313 HydrophobicContact CD1-CZ 4.15Å; F287-F313 HydrophobicContact CD2-CE1 4.42Å; F287-F313 AromaticContact CE1-CD1 3.8Å; F287-F313 HydrophobicContact CE1-CD1 3.8Å; F287-F313 AromaticContact CE1-CE1 3.62Å; F287-F313 HydrophobicContact CE1-CE1 3.62Å; F287-F313 HydrophobicContact CE1-CZ 4.39Å; F287-F313 HydrophobicContact CE2-CD1 4.37Å; F287-F313 HydrophobicContact CG-CD1 4.37Å; F287-F313 AromaticContact CG-CE1 3.83Å; F287-F313 HydrophobicContact CG-CE1 3.83Å; F287-F313 AromaticContact CZ-CD1 3.98Å; F287-F313 HydrophobicContact CZ-CD1 3.98Å; F287-F313 HydrophobicContact CZ-CE1 4.22Å; F287-A316 HydrophobicContact CE2-CB 4.24Å; F287-A316 HydrophobicContact CZ-CB 4.37Å; F287-L317 HydrophobicContact CE1-CD1 4.47Å; F287-L317 HydrophobicContact CZ-CD1 4.47Å; F287-F458 HydrophobicContact CD1-CE2 4.42Å; F287-F458 AromaticContact CE1-CE2 3.66Å; F287-F458 HydrophobicContact CE1-CE2 3.66Å; F287-F458 HydrophobicContact CE1-CZ 4.2Å; F287-F458 AromaticContact CE2-CE2 3.89Å; F287-F458 HydrophobicContact CE2-CE2 3.89Å; F287-F458 AromaticContact CE2-CZ 3.95Å; F287-F458 HydrophobicContact CE2-CZ 3.95Å; F287-F458 AromaticContact CZ-CE2 3.35Å; F287-F458 HydrophobicContact CZ-CE2 3.35Å; F287-F458 AromaticContact CZ-CZ 3.47Å; F287-F458 HydrophobicContact CZ-CZ 3.47Å; F287-F458 VanDerWaalsContact CZ-CZ 3.47Å; F287-M462 HydrophobicContact CD1-CE 4.23Å
288	V	95.1	Very high	97.3	Very high	60 Å²	60	25 Å²	25	36%	0.364	14%	0.142	S	C	.	.	H	α-helix	trans	-62.3	-47.2	-179.1	175.3	0	0	0	0	111.4	L262 S286 E291 V292	L262-V288 HydrophobicContact CB-CG1 4.4Å; L262-V288 HydrophobicContact CD2-CG1 4.2Å; S286-V288 PolarHBondContact O-N 3.14Å; V288-E291 PolarHBondContact O-N 2.82Å; V288-V292 VanDerWaalsContact O-CG2 3.26Å; V288-V292 WeakPolarHBondContact O-CG2 3.21Å; V288-V292 PolarHBondContact O-N 3.46Å
289	G	96.7	Very high	97.2	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-61.5	-47.3	179.9	0	0	0	0	0	111.9	I282 S286 F287 V292 A293	I282-G289 WeakPolarHBondContact CG2-O 3.28Å; S286-G289 PolarHBondContact O-N 2.96Å; F287-G289 PolarHBondContact O-N 3.15Å; G289-V292 PolarHBondContact O-N 2.95Å; G289-A293 WeakPolarHBondContact O-CB 3.15Å; G289-A293 PolarHBondContact O-N 3.09Å
290	M	97.9	Very high	97.1	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-68.8	-37.3	-178.8	-64.7	-59.5	-69.3	0	0	112.7	T285 S286 F287 A293 A294 V305 P312 F313 F329 F336 M462	T285-M290 HydrophobicContact CG2-SD 4.46Å; S286-M290 WeakPolarHBondContact O-CB 3.17Å; S286-M290 VanDerWaalsContact O-CG 3.28Å; S286-M290 WeakPolarHBondContact O-CG 3.25Å; S286-M290 PolarHBondContact O-N 3.24Å; F287-M290 PolarHBondContact O-N 3.32Å; M290-A293 PolarHBondContact O-N 2.8Å; M290-A294 WeakPolarHBondContact O-CB 3.48Å; M290-A294 PolarHBondContact O-N 3.49Å; M290-V305 HydrophobicContact SD-CG1 4.1Å; M290-P312 HydrophobicContact CE-CB 3.95Å; M290-P312 HydrophobicContact CE-CG 4.23Å; M290-P312 HydrophobicContact CG-CB 4.47Å; M290-P312 HydrophobicContact SD-CB 4.15Å; M290-F313 HydrophobicContact CB-CE1 4.31Å; M290-F313 HydrophobicContact CB-CE2 4.18Å; M290-F313 HydrophobicContact CB-CZ 3.5Å; M290-F313 VanDerWaalsContact CB-CZ 3.5Å; M290-F313 HydrophobicContact CE-CE2 4.36Å; M290-F313 HydrophobicContact CG-CE1 4.1Å; M290-F313 HydrophobicContact CG-CE2 3.85Å; M290-F313 HydrophobicContact CG-CZ 3.43Å; M290-F313 VanDerWaalsContact CG-CZ 3.43Å; M290-F329 HydrophobicContact CB-CE1 4.34Å; M290-F329 HydrophobicContact CB-CZ 3.92Å; M290-F329 HydrophobicContact CE-CB 4.5Å; M290-F329 HydrophobicContact CE-CD1 3.58Å; M290-F329 HydrophobicContact CE-CD2 3.56Å; M290-F329 HydrophobicContact CE-CE1 3.54Å; M290-F329 HydrophobicContact CE-CE2 3.51Å; M290-F329 HydrophobicContact CE-CG 3.6Å; M290-F329 HydrophobicContact CE-CZ 3.5Å; M290-F329 VanDerWaalsContact CE-CZ 3.5Å; M290-F329 WeakPolarHBondContact O-CE1 3.41Å; M290-F329 WeakPolarHBondContact O-CZ 3.45Å; M290-F329 HydrophobicContact SD-CE1 4.39Å; M290-F336 HydrophobicContact CE-CE1 3.9Å; M290-F336 HydrophobicContact CE-CZ 3.7Å; M290-F336 HydrophobicContact SD-CE1 4.07Å; M290-F336 HydrophobicContact SD-CZ 4.44Å; M290-M462 HydrophobicContact CB-SD 4.18Å
291	E	97.9	Very high	97.1	Very high	9 Å²	9	28.7 Å²	28.7	4%	0.042	16%	0.16	C	C	.	.	H	α-helix	trans	-63.3	-45.2	173.5	-73.9	175.5	171	0	0	111.5	S184 K185 F287 V288 A294 A295 S460 M462	S184-E291 WeakPolarHBondContact CB-OE2 3.36Å; S184-E291 CarbonylContact O-C 3.5Å; S184-E291 PolarHBondContact OG-OE2 2.87Å; K185-E291 WeakPolarHBondContact CE-OE1 2.95Å; K185-E291 HydrophobicContact CG-CG 4.45Å; K185-E291 IonicContact NZ-OE1 3.23Å; K185-E291 PolarHBondContact NZ-OE1 3.25Å; K185-E291 IonicContact NZ-OE2 2.95Å; K185-E291 PolarHBondContact NZ-OE2 3.43Å; F287-E291 VanDerWaalsContact O-CB 3.27Å; F287-E291 WeakPolarHBondContact O-CB 3.29Å; F287-E291 WeakPolarHBondContact O-CG 3.42Å; F287-E291 PolarHBondContact O-N 2.92Å; V288-E291 PolarHBondContact O-N 2.82Å; E291-A294 PolarHBondContact O-N 3.46Å; E291-A295 WeakPolarHBondContact O-CB 3.43Å; E291-A295 PolarHBondContact O-N 3.39Å; E291-S460 VanDerWaalsContact CD-OG 3.32Å; E291-S460 WeakPolarHBondContact CG-OG 3.43Å; E291-S460 WeakPolarHBondContact OE1-CA 3.24Å; E291-S460 WeakPolarHBondContact OE1-CB 3.14Å; E291-S460 PolarHBondContact OE1-OG 3.32Å; E291-M462 HydrophobicContact CG-CG 4.33Å
292	V	98.1	Very high	97.1	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-63.5	-43.3	176	174.1	0	0	0	0	111.1	L187 L262 I271 I282 V288 G289 A294 A295 L296 V369	L187-V292 HydrophobicContact CD2-CG2 4.4Å; L262-V292 HydrophobicContact CD2-CG2 3.5Å; I271-V292 HydrophobicContact CG2-CG1 4.24Å; I282-V292 HydrophobicContact CD1-CG1 3.83Å; V288-V292 VanDerWaalsContact O-CG2 3.26Å; V288-V292 WeakPolarHBondContact O-CG2 3.21Å; V288-V292 PolarHBondContact O-N 3.46Å; G289-V292 PolarHBondContact O-N 2.95Å; V292-A294 VanDerWaalsContact C-N 3.3Å; V292-A294 PolarHBondContact O-N 3.23Å; V292-A295 PolarHBondContact O-N 2.82Å; V292-L296 HydrophobicContact CG1-CD1 3.86Å; V292-L296 HydrophobicContact CG1-CG 4.24Å; V292-L296 WeakPolarHBondContact O-CB 3.27Å; V292-L296 VanDerWaalsContact O-CG 3.3Å; V292-L296 WeakPolarHBondContact O-CG 3.44Å; V292-L296 PolarHBondContact O-N 2.94Å; V292-V369 HydrophobicContact CG1-CB 4.37Å; V292-V369 HydrophobicContact CG1-CG1 4.3Å; V292-V369 HydrophobicContact CG1-CG2 4.07Å
293	A	98.3	Very high	97.1	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-55.5	-47.7	175.4	0	0	0	0	0	111.1	I282 G289 M290 L296 T297 V303 V305 F329	I282-A293 HydrophobicContact CG1-CB 4Å; G289-A293 WeakPolarHBondContact O-CB 3.15Å; G289-A293 PolarHBondContact O-N 3.09Å; M290-A293 PolarHBondContact O-N 2.8Å; A293-L296 PolarHBondContact O-N 2.88Å; A293-T297 PolarHBondContact O-N 2.91Å; A293-T297 PolarHBondContact O-OG1 2.52Å; A293-T297 VanDerWaalsContact O-OG1 3.13Å; A293-V303 HydrophobicContact CB-CG1 3.99Å; A293-V305 HydrophobicContact CB-CG2 3.81Å; A293-F329 HydrophobicContact CB-CD1 4.37Å; A293-F329 HydrophobicContact CB-CE1 3.88Å
294	A	98.3	Very high	97.1	Very high	9 Å²	9	30.3 Å²	30.3	7%	0.074	17%	0.172	C	C	.	.	H	α-helix	trans	-64.7	-41.9	177.9	0	0	0	0	0	112.8	M290 E291 V292 L296 T297 F329 M462 F463	M290-A294 WeakPolarHBondContact O-CB 3.48Å; M290-A294 PolarHBondContact O-N 3.49Å; E291-A294 PolarHBondContact O-N 3.46Å; V292-A294 VanDerWaalsContact C-N 3.3Å; V292-A294 PolarHBondContact O-N 3.23Å; A294-L296 PolarHBondContact O-N 2.79Å; A294-T297 PolarHBondContact O-N 2.83Å; A294-F329 HydrophobicContact CB-CE1 3.98Å; A294-F329 HydrophobicContact CB-CZ 3.95Å; A294-M462 HydrophobicContact CB-CB 4.03Å; A294-M462 HydrophobicContact CB-CG 4.46Å; A294-F463 HydrophobicContact CB-CD1 4.12Å; A294-F463 HydrophobicContact CB-CD2 4.09Å; A294-F463 HydrophobicContact CB-CE1 3.78Å; A294-F463 HydrophobicContact CB-CE2 3.77Å; A294-F463 HydrophobicContact CB-CG 4.27Å; A294-F463 HydrophobicContact CB-CZ 3.6Å
295	A	97.5	Very high	97.2	Very high	32 Å²	32	29.8 Å²	29.8	26%	0.264	17%	0.167	S	C	.	.	H	α-helix	trans	-66.6	-22.6	179.4	0	0	0	0	0	113.4	L187 E291 V292	L187-A295 HydrophobicContact CD1-CB 3.75Å; L187-A295 HydrophobicContact CG-CB 4.22Å; E291-A295 WeakPolarHBondContact O-CB 3.43Å; E291-A295 PolarHBondContact O-N 3.39Å; V292-A295 PolarHBondContact O-N 2.82Å
296	L	97.8	Very high	97.3	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-93.8	-18.6	179.7	-68.7	-177.1	0	0	0	113.9	L187 I271 A275 A280 I282 V292 A293 A294 D298 K299 A300 V303	L187-L296 HydrophobicContact CD1-CD2 3.55Å; L187-L296 HydrophobicContact CD1-CG 3.96Å; I271-L296 HydrophobicContact CG2-CD1 3.9Å; I271-L296 HydrophobicContact CG2-CD2 4.29Å; A275-L296 HydrophobicContact CB-CD1 3.95Å; A275-L296 HydrophobicContact CB-CD2 3.57Å; A275-L296 HydrophobicContact CB-CG 4.3Å; A280-L296 HydrophobicContact CB-CD1 3.95Å; I282-L296 HydrophobicContact CD1-CD1 4.39Å; V292-L296 HydrophobicContact CG1-CD1 3.86Å; V292-L296 HydrophobicContact CG1-CG 4.24Å; V292-L296 WeakPolarHBondContact O-CB 3.27Å; V292-L296 VanDerWaalsContact O-CG 3.3Å; V292-L296 WeakPolarHBondContact O-CG 3.44Å; V292-L296 PolarHBondContact O-N 2.94Å; A293-L296 PolarHBondContact O-N 2.88Å; A294-L296 PolarHBondContact O-N 2.79Å; L296-D298 VanDerWaalsContact C-N 3.27Å; L296-D298 PolarHBondContact O-N 3.13Å; L296-D298 VanDerWaalsContact O-N 3.16Å; L296-K299 PolarHBondContact O-N 2.81Å; L296-A300 HydrophobicContact CB-CB 4.42Å; L296-A300 WeakPolarHBondContact O-CB 3.28Å; L296-A300 PolarHBondContact O-N 3.03Å; L296-V303 HydrophobicContact CB-CG2 4.16Å
297	T	96.8	Very high	97.5	Very high	10 Å²	10	26.9 Å²	26.9	6%	0.061	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-39.6	-173.7	-70.7	0	0	0	0	114.2	A293 A294 K299 N332 F463	A293-T297 PolarHBondContact O-N 2.91Å; A293-T297 PolarHBondContact O-OG1 2.52Å; A293-T297 VanDerWaalsContact O-OG1 3.13Å; A294-T297 PolarHBondContact O-N 2.83Å; T297-K299 VanDerWaalsContact C-N 3.33Å; T297-N332 HydrophobicContact CG2-CB 4.27Å; T297-N332 WeakPolarHBondContact CG2-O 3.4Å; T297-F463 HydrophobicContact CG2-CE1 4.05Å; T297-F463 WeakPolarHBondContact OG1-CE1 3.47Å
298	D	94.1	Very high	97.5	Very high	136 Å²	136	30 Å²	30	73%	0.727	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-11.2	-177.1	-64.7	-30.3	0	0	0	113.5	L296	L296-D298 VanDerWaalsContact C-N 3.27Å; L296-D298 PolarHBondContact O-N 3.13Å; L296-D298 VanDerWaalsContact O-N 3.16Å
299	K	95.6	Very high	97.6	Very high	61 Å²	61	30.6 Å²	30.6	27%	0.265	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.7	-34.3	-173.8	-63.4	-179.5	177.1	-173	0	113	E188 N276 N277 L296 T297	E188-K299 IonicContact OE1-NZ 2.93Å; E188-K299 PolarHBondContact OE1-NZ 3.17Å; E188-K299 IonicContact OE2-NZ 2.95Å; E188-K299 PolarHBondContact OE2-NZ 3.1Å; N276-K299 CarbonylContact C-O 3.54Å; N276-K299 WeakPolarHBondContact CA-O 3.19Å; N277-K299 PolarHBondContact N-O 2.83Å; L296-K299 PolarHBondContact O-N 2.81Å; T297-K299 VanDerWaalsContact C-N 3.33Å
300	A	98.1	Very high	97.6	Very high	14 Å²	14	32.7 Å²	32.7	12%	0.116	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-80.8	151.5	-178.9	0	0	0	0	0	111.3	A275 A280 L296 S302 V303	A275-A300 HydrophobicContact CB-CB 4.48Å; A275-A300 VanDerWaalsContact O-CA 3.29Å; A275-A300 WeakPolarHBondContact O-CA 3.36Å; A280-A300 HydrophobicContact CB-CB 4.34Å; L296-A300 HydrophobicContact CB-CB 4.42Å; L296-A300 WeakPolarHBondContact O-CB 3.28Å; L296-A300 PolarHBondContact O-N 3.03Å; A300-S302 VanDerWaalsContact C-N 3.32Å; A300-V303 HydrophobicContact CB-CG2 3.94Å
301	H	98.4	Very high	97.6	Very high	140 Å²	140	33 Å²	33	65%	0.648	18%	0.179	S	C	*	.	S	Bend	trans	-66.5	-39.1	170.5	176	71.4	0	0	0	111	K278 N279	K278-H301 WeakPolarHBondContact O-CB 3.43Å; K278-H301 PolarHBondContact O-N 3.2Å; N279-H301 PolarHBondContact OD1-CD2 2.85Å
302	S	98.6	Very high	97.6	Very high	28 Å²	28	32.6 Å²	32.6	20%	0.196	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	149.9	173.3	76.3	0	0	0	0	111.5	K278 N279 A280 A300	K278-S302 PolarHBondContact O-N 3.22Å; N279-S302 PolarHBondContact OD1-OG 2.96Å; A280-S302 PolarHBondContact N-O 2.75Å; A300-S302 VanDerWaalsContact C-N 3.32Å
303	V	98.9	Very high	97.5	Very high	7 Å²	7	33 Å²	33	4%	0.042	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	122.6	173.7	-177.3	0	0	0	0	108.9	A280 I282 A293 L296 A300 V305 V334 K335	A280-V303 WeakPolarHBondContact O-CA 3.3Å; I282-V303 HydrophobicContact CG1-CG1 4.29Å; A293-V303 HydrophobicContact CB-CG1 3.99Å; L296-V303 HydrophobicContact CB-CG2 4.16Å; A300-V303 HydrophobicContact CB-CG2 3.94Å; V303-V305 HydrophobicContact CG1-CG2 4.5Å; V303-V334 HydrophobicContact CB-CG2 4.27Å; V303-V334 HydrophobicContact CG1-CG1 4.29Å; V303-V334 HydrophobicContact CG1-CG2 4.27Å; V303-K335 PolarHBondContact O-N 3.38Å
304	S	98.9	Very high	97.3	Very high	9 Å²	9	36.7 Å²	36.7	6%	0.063	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	135.5	173.9	-66	0	0	0	0	110.3	A280 V281 I282 K335	A280-S304 PolarHBondContact O-N 3.16Å; V281-S304 CarbonylContact C-O 3.46Å; V281-S304 WeakPolarHBondContact CA-O 3.4Å; I282-S304 PolarHBondContact N-O 3.37Å; S304-K335 CarbonylContact C-O 3.49Å; S304-K335 VanDerWaalsContact CA-O 3.27Å; S304-K335 WeakPolarHBondContact CA-O 3.35Å
305	V	98.8	Very high	97.1	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	128.3	179.4	179.9	0	0	0	0	109.8	I282 T285 M290 A293 V303 V334 K335 F336 Y337	I282-V305 HydrophobicContact CB-CG2 4.12Å; I282-V305 HydrophobicContact CG1-CG2 4.41Å; I282-V305 CarbonylContact O-C 3.06Å; I282-V305 WeakPolarHBondContact O-CA 3.49Å; T285-V305 HydrophobicContact CG2-CG1 3.68Å; M290-V305 HydrophobicContact SD-CG1 4.1Å; A293-V305 HydrophobicContact CB-CG2 3.81Å; V303-V305 HydrophobicContact CG1-CG2 4.5Å; V305-V334 HydrophobicContact CB-CG1 4.31Å; V305-V334 HydrophobicContact CG2-CG1 3.51Å; V305-K335 PolarHBondContact N-O 3.37Å; V305-F336 HydrophobicContact CB-CD1 3.75Å; V305-F336 HydrophobicContact CB-CE1 3.79Å; V305-F336 HydrophobicContact CG1-CD1 3.93Å; V305-F336 HydrophobicContact CG1-CE1 3.79Å; V305-F336 HydrophobicContact CG2-CE1 4.28Å; V305-F336 CarbonylContact O-C 3.54Å; V305-F336 WeakPolarHBondContact O-CA 3.29Å; V305-Y337 PolarHBondContact O-N 2.82Å
306	I	98.7	Very high	96.8	Very high	3 Å²	3	44.5 Å²	44.5	2%	0.015	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	131.2	178.4	-57.8	154.2	0	0	0	108.6	V281 I282 V283 G284 Y337 N340 V342 V355 L357 L363	V281-I306 HydrophobicContact CG1-CD1 3.47Å; V281-I306 VanDerWaalsContact CG1-CD1 3.47Å; V281-I306 HydrophobicContact CG1-CG1 4.37Å; I282-I306 PolarHBondContact O-N 2.89Å; V283-I306 HydrophobicContact CG2-CD1 4.12Å; G284-I306 WeakPolarHBondContact CA-O 3.5Å; G284-I306 PolarHBondContact N-O 3.36Å; I306-Y337 WeakPolarHBondContact CA-O 3.45Å; I306-N340 HydrophobicContact CG2-CB 4.41Å; I306-N340 WeakPolarHBondContact CG2-O 3.28Å; I306-V342 HydrophobicContact CD1-CG2 4.04Å; I306-V355 HydrophobicContact CD1-CG1 4.07Å; I306-L357 HydrophobicContact CD1-CD2 3.46Å; I306-L357 VanDerWaalsContact CD1-CD2 3.46Å; I306-L357 HydrophobicContact CG1-CD2 3.9Å; I306-L357 HydrophobicContact CG2-CD2 4.27Å; I306-L363 HydrophobicContact CD1-CD1 4.1Å; I306-L363 HydrophobicContact CG1-CD1 4.22Å
307	G	97.3	Very high	96.7	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.01	23%	0.229	C	C	.	.			trans	-138.9	144.6	-179.8	0	0	0	0	0	112.2	Y337 M338 L339 N340	G307-Y337 PolarHBondContact N-O 3.18Å; G307-Y337 VanDerWaalsContact N-O 3.09Å; G307-M338 CarbonylContact O-C 3.16Å; G307-M338 VanDerWaalsContact O-C 3.28Å; G307-M338 WeakPolarHBondContact O-CA 3.11Å; G307-L339 PolarHBondContact O-N 2.93Å; G307-N340 CarbonylContact C-O 3.54Å; G307-N340 PolarHBondContact O-N 2.97Å
308	I	96.3	Very high	96.7	Very high	111 Å²	111	44.3 Å²	44.3	57%	0.569	23%	0.228	S	C	*	.	S	Bend	trans	-85.6	-19.8	176.8	63.3	174.7	0	0	0	113.2	E341	I308-E341 HydrophobicContact CG2-CG 3.49Å; I308-E341 VanDerWaalsContact CG2-CG 3.49Å
309	E	96.4	Very high	96.9	Very high	72 Å²	72	42.2 Å²	42.2	34%	0.336	21%	0.214	S	C	.	.	S	Bend	trans	-91.3	163.2	175.8	-69.4	-65.2	171	0	0	110.2	V311 K314 M338 L339	E309-V311 VanDerWaalsContact C-N 3.3Å; E309-V311 PolarHBondContact O-N 3.27Å; E309-K314 HydrophobicContact CB-CB 4.37Å; E309-K314 HydrophobicContact CB-CD 4.33Å; E309-K314 HydrophobicContact CG-CB 4.48Å; E309-K314 HydrophobicContact CG-CD 4.47Å; E309-K314 VanDerWaalsContact OE2-CD 3.25Å; E309-K314 WeakPolarHBondContact OE2-CD 3.46Å; E309-K314 IonicContact OE2-NZ 3.56Å; E309-K314 PolarHBondContact OE2-NZ 3.48Å; E309-M338 WeakPolarHBondContact O-CE 3.38Å; E309-L339 PolarHBondContact O-N 3.49Å
310	P	97.5	Very high	96.9	Very high	44 Å²	44	44.4 Å²	44.4	29%	0.286	22%	0.224	S	C	.	.	S	Bend	trans	-71.1	-23.6	177.5	27.1	-34.7	0	0	0	113.5	K314 L339	P310-K314 HydrophobicContact CG-CD 3.91Å; P310-L339 HydrophobicContact CB-CD2 4.21Å
311	V	98.1	Very high	96.9	Very high	7 Å²	7	43.8 Å²	43.8	4%	0.042	22%	0.218	C	C	.	.	S	Bend	trans	-141.6	153.1	178.8	-58.7	0	0	0	0	110.7	E309 K314 E319 K323 M326	E309-V311 VanDerWaalsContact C-N 3.3Å; E309-V311 PolarHBondContact O-N 3.27Å; V311-K314 HydrophobicContact CG2-CB 3.86Å; V311-K314 HydrophobicContact CG2-CG 4.23Å; V311-E319 HydrophobicContact CG2-CG 4.21Å; V311-K323 HydrophobicContact CG1-CG 3.66Å; V311-M326 HydrophobicContact CG1-SD 4.47Å
312	P	97.7	Very high	96.9	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	152.4	175.2	29.7	-36.7	0	0	0	111.3	T285 M290 K314 G322 M326	T285-P312 HydrophobicContact CG2-CB 4.43Å; M290-P312 HydrophobicContact CE-CB 3.95Å; M290-P312 HydrophobicContact CE-CG 4.23Å; M290-P312 HydrophobicContact CG-CB 4.47Å; M290-P312 HydrophobicContact SD-CB 4.15Å; P312-K314 PolarHBondContact O-N 3.42Å; P312-G322 WeakPolarHBondContact CG-O 3.27Å; P312-G322 VanDerWaalsContact O-CA 3.23Å; P312-G322 WeakPolarHBondContact O-CA 3.34Å; P312-M326 HydrophobicContact CG-CB 3.88Å; P312-M326 HydrophobicContact CG-CG 4.45Å
313	F	95.8	Very high	96.9	Very high	10 Å²	10	41.1 Å²	41.1	4%	0.044	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	10.8	177.9	-47.9	-71.1	0	0	0	116.9	T285 F287 M290 K315 A316 L317 I325 M462	T285-F313 PolarHBondContact O-N 3.31Å; T285-F313 VanDerWaalsContact O-N 3.14Å; F287-F313 HydrophobicContact CB-CE1 4.37Å; F287-F313 HydrophobicContact CD1-CD1 4.01Å; F287-F313 AromaticContact CD1-CE1 3.4Å; F287-F313 HydrophobicContact CD1-CE1 3.4Å; F287-F313 HydrophobicContact CD1-CZ 4.15Å; F287-F313 HydrophobicContact CD2-CE1 4.42Å; F287-F313 AromaticContact CE1-CD1 3.8Å; F287-F313 HydrophobicContact CE1-CD1 3.8Å; F287-F313 AromaticContact CE1-CE1 3.62Å; F287-F313 HydrophobicContact CE1-CE1 3.62Å; F287-F313 HydrophobicContact CE1-CZ 4.39Å; F287-F313 HydrophobicContact CE2-CD1 4.37Å; F287-F313 HydrophobicContact CG-CD1 4.37Å; F287-F313 AromaticContact CG-CE1 3.83Å; F287-F313 HydrophobicContact CG-CE1 3.83Å; F287-F313 AromaticContact CZ-CD1 3.98Å; F287-F313 HydrophobicContact CZ-CD1 3.98Å; F287-F313 HydrophobicContact CZ-CE1 4.22Å; M290-F313 HydrophobicContact CB-CE1 4.31Å; M290-F313 HydrophobicContact CB-CE2 4.18Å; M290-F313 HydrophobicContact CB-CZ 3.5Å; M290-F313 VanDerWaalsContact CB-CZ 3.5Å; M290-F313 HydrophobicContact CE-CE2 4.36Å; M290-F313 HydrophobicContact CG-CE1 4.1Å; M290-F313 HydrophobicContact CG-CE2 3.85Å; M290-F313 HydrophobicContact CG-CZ 3.43Å; M290-F313 VanDerWaalsContact CG-CZ 3.43Å; F313-K315 PolarHBondContact O-N 3.08Å; F313-A316 WeakPolarHBondContact O-CA 3.4Å; F313-A316 PolarHBondContact O-N 3Å; F313-L317 HydrophobicContact CB-CB 3.91Å; F313-L317 HydrophobicContact CB-CD1 3.64Å; F313-L317 HydrophobicContact CB-CG 3.84Å; F313-L317 HydrophobicContact CD1-CD1 4.37Å; F313-L317 HydrophobicContact CD2-CD1 4.11Å; F313-L317 HydrophobicContact CG-CD1 3.79Å; F313-L317 HydrophobicContact CG-CG 4.46Å; F313-L317 PolarHBondContact O-N 2.87Å; F313-I325 HydrophobicContact CD2-CD1 3.93Å; F313-I325 HydrophobicContact CD2-CG2 4.28Å; F313-I325 HydrophobicContact CE2-CB 4.49Å; F313-I325 HydrophobicContact CE2-CD1 4.14Å; F313-I325 HydrophobicContact CE2-CG2 3.77Å; F313-M462 HydrophobicContact CE1-CE 4.29Å; F313-M462 HydrophobicContact CE2-CE 4.12Å; F313-M462 HydrophobicContact CE2-SD 4.28Å; F313-M462 HydrophobicContact CZ-CE 3.5Å; F313-M462 VanDerWaalsContact CZ-CE 3.5Å; F313-M462 HydrophobicContact CZ-SD 4.03Å
314	K	94.8	Very high	96.9	Very high	76 Å²	76	41.2 Å²	41.2	33%	0.33	20%	0.203	S	C	.	.	H	α-helix	trans	-45.4	-46.9	-173	-175.4	-178.5	168.7	-165.8	0	113.8	E309 P310 V311 P312 A316 G318	E309-K314 HydrophobicContact CB-CB 4.37Å; E309-K314 HydrophobicContact CB-CD 4.33Å; E309-K314 HydrophobicContact CG-CB 4.48Å; E309-K314 HydrophobicContact CG-CD 4.47Å; E309-K314 VanDerWaalsContact OE2-CD 3.25Å; E309-K314 WeakPolarHBondContact OE2-CD 3.46Å; E309-K314 IonicContact OE2-NZ 3.56Å; E309-K314 PolarHBondContact OE2-NZ 3.48Å; P310-K314 HydrophobicContact CG-CD 3.91Å; V311-K314 HydrophobicContact CG2-CB 3.86Å; V311-K314 HydrophobicContact CG2-CG 4.23Å; P312-K314 PolarHBondContact O-N 3.42Å; K314-A316 PolarHBondContact O-N 3.35Å; K314-G318 WeakPolarHBondContact O-CA 3.26Å; K314-G318 PolarHBondContact O-N 2.82Å
315	K	92.1	Very high	96.8	Very high	168 Å²	168	40.8 Å²	40.8	73%	0.73	20%	0.2	S	C	*	.	H	α-helix	trans	-66	-35.8	178.6	-172.7	179.2	178.8	-175.8	0	113.7	F313	F313-K315 PolarHBondContact O-N 3.08Å
316	A	92.9	Very high	96.8	Very high	38 Å²	38	42.1 Å²	42.1	31%	0.314	21%	0.206	S	C	.	.	H	α-helix	trans	-90	-37.2	-173.9	0	0	0	0	0	113	F287 F313 K314	F287-A316 HydrophobicContact CE2-CB 4.24Å; F287-A316 HydrophobicContact CZ-CB 4.37Å; F313-A316 WeakPolarHBondContact O-CA 3.4Å; F313-A316 PolarHBondContact O-N 3Å; K314-A316 PolarHBondContact O-N 3.35Å
317	L	95.9	Very high	96.8	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-123.2	-5.2	-169.5	-60.7	178.8	0	0	0	114.1	F287 F313 V321 I325 I467 Y469 Y494 A504	F287-L317 HydrophobicContact CE1-CD1 4.47Å; F287-L317 HydrophobicContact CZ-CD1 4.47Å; F313-L317 HydrophobicContact CB-CB 3.91Å; F313-L317 HydrophobicContact CB-CD1 3.64Å; F313-L317 HydrophobicContact CB-CG 3.84Å; F313-L317 HydrophobicContact CD1-CD1 4.37Å; F313-L317 HydrophobicContact CD2-CD1 4.11Å; F313-L317 HydrophobicContact CG-CD1 3.79Å; F313-L317 HydrophobicContact CG-CG 4.46Å; F313-L317 PolarHBondContact O-N 2.87Å; L317-V321 HydrophobicContact CB-CB 4.1Å; L317-V321 HydrophobicContact CB-CG1 3.96Å; L317-V321 HydrophobicContact CD1-CG1 4.07Å; L317-V321 WeakPolarHBondContact O-CB 3.4Å; L317-I325 HydrophobicContact CD1-CD1 3.82Å; L317-I467 HydrophobicContact CD1-CD1 3.5Å; L317-I467 VanDerWaalsContact CD1-CD1 3.5Å; L317-I467 HydrophobicContact CD2-CD1 3.94Å; L317-I467 HydrophobicContact CG-CD1 4.37Å; L317-Y469 HydrophobicContact CD2-CD2 4.19Å; L317-Y469 HydrophobicContact CD2-CE2 4.5Å; L317-Y494 VanDerWaalsContact CA-OH 3.23Å; L317-Y494 WeakPolarHBondContact CA-OH 3.31Å; L317-Y494 WeakPolarHBondContact CD2-OH 3.5Å; L317-Y494 VanDerWaalsContact O-CE1 3.27Å; L317-Y494 WeakPolarHBondContact O-CE1 3.35Å; L317-Y494 PolarHBondContact O-OH 2.93Å; L317-A504 HydrophobicContact CD2-CB 4.26Å
318	G	96.2	Very high	96.8	Very high	5 Å²	5	47.8 Å²	47.8	5%	0.052	23%	0.231	C	C	.	.	H	α-helix	trans	77.1	170.9	-177.9	0	0	0	0	0	113.6	K314 G322	K314-G318 WeakPolarHBondContact O-CA 3.26Å; K314-G318 PolarHBondContact O-N 2.82Å; G318-G322 PolarHBondContact O-N 2.81Å
319	E	96.9	Very high	96.9	Very high	92 Å²	92	42.5 Å²	42.5	43%	0.43	20%	0.204	S	C	.	.	H	α-helix	trans	-70.2	-42.8	-171.4	-171.7	173.1	156	0	0	113.2	V311 V321 G322 K323	V311-E319 HydrophobicContact CG2-CG 4.21Å; E319-V321 PolarHBondContact O-N 3.03Å; E319-G322 PolarHBondContact O-N 2.98Å; E319-K323 HydrophobicContact CG-CD 4.31Å; E319-K323 HydrophobicContact CG-CG 4.45Å; E319-K323 WeakPolarHBondContact O-CG 3.3Å; E319-K323 PolarHBondContact O-N 3.16Å; E319-K323 WeakPolarHBondContact OE1-CE 3.42Å; E319-K323 IonicContact OE1-NZ 2.91Å; E319-K323 PolarHBondContact OE1-NZ 3.04Å
320	K	97.2	Very high	97	Very high	107 Å²	107	43.7 Å²	43.7	47%	0.465	21%	0.21	S	C	.	.	H	α-helix	trans	-57.5	-52.3	-178.8	-62.5	178.6	-174.1	168.4	0	111.6	K323 A324 V479 I481 L485	K320-K323 PolarHBondContact O-N 2.59Å; K320-A324 PolarHBondContact O-N 3.3Å; K320-V479 PolarHBondContact NZ-O 3.01Å; K320-I481 HydrophobicContact CD-CG1 3.99Å; K320-L485 HydrophobicContact CB-CD1 4.06Å
321	V	98.1	Very high	97	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-68.2	-40	178.5	-179.8	0	0	0	0	111	L317 E319 K323 A324 I325 I467 I481 L485 F490 A492	L317-V321 HydrophobicContact CB-CB 4.1Å; L317-V321 HydrophobicContact CB-CG1 3.96Å; L317-V321 HydrophobicContact CD1-CG1 4.07Å; L317-V321 WeakPolarHBondContact O-CB 3.4Å; E319-V321 PolarHBondContact O-N 3.03Å; V321-K323 VanDerWaalsContact C-N 3.34Å; V321-K323 PolarHBondContact O-N 3.34Å; V321-A324 PolarHBondContact O-N 3.4Å; V321-I325 HydrophobicContact CG1-CD1 3.8Å; V321-I325 HydrophobicContact CG1-CG1 4.36Å; V321-I325 WeakPolarHBondContact O-CG1 3.42Å; V321-I325 PolarHBondContact O-N 3.24Å; V321-I467 HydrophobicContact CG1-CD1 4.22Å; V321-I481 HydrophobicContact CG2-CD1 4.08Å; V321-L485 HydrophobicContact CG2-CD2 4.46Å; V321-F490 HydrophobicContact CG1-CE2 4.1Å; V321-F490 HydrophobicContact CG1-CZ 3.81Å; V321-F490 HydrophobicContact CG2-CE2 3.96Å; V321-F490 HydrophobicContact CG2-CZ 4.4Å; V321-A492 HydrophobicContact CG2-CB 3.84Å
322	G	98.1	Very high	97	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-56.9	-43.5	175.6	0	0	0	0	0	113.1	P312 G318 E319 I325 M326	P312-G322 WeakPolarHBondContact CG-O 3.27Å; P312-G322 VanDerWaalsContact O-CA 3.23Å; P312-G322 WeakPolarHBondContact O-CA 3.34Å; G318-G322 PolarHBondContact O-N 2.81Å; E319-G322 PolarHBondContact O-N 2.98Å; G322-I325 PolarHBondContact O-N 2.81Å; G322-M326 WeakPolarHBondContact O-CB 3.39Å; G322-M326 PolarHBondContact O-N 3Å
323	K	98.3	Very high	97	Very high	112 Å²	112	57.4 Å²	57.4	49%	0.487	27%	0.271	S	S	.	.	H	α-helix	trans	-63.4	-46	175.6	-72.9	-179.6	-179.5	167.5	0	112.4	V311 E319 K320 V321 I325 M326 K327	V311-K323 HydrophobicContact CG1-CG 3.66Å; E319-K323 HydrophobicContact CG-CD 4.31Å; E319-K323 HydrophobicContact CG-CG 4.45Å; E319-K323 WeakPolarHBondContact O-CG 3.3Å; E319-K323 PolarHBondContact O-N 3.16Å; E319-K323 WeakPolarHBondContact OE1-CE 3.42Å; E319-K323 IonicContact OE1-NZ 2.91Å; E319-K323 PolarHBondContact OE1-NZ 3.04Å; K320-K323 PolarHBondContact O-N 2.59Å; V321-K323 VanDerWaalsContact C-N 3.34Å; V321-K323 PolarHBondContact O-N 3.34Å; K323-I325 VanDerWaalsContact C-N 3.32Å; K323-I325 PolarHBondContact O-N 2.78Å; K323-M326 WeakPolarHBondContact O-CB 2.85Å; K323-M326 PolarHBondContact O-N 2.92Å; K323-K327 PolarHBondContact O-N 2.76Å
324	A	98.3	Very high	97.2	Very high	9 Å²	9	57.2 Å²	57.2	7%	0.074	27%	0.27	C	S	.	.	H	α-helix	trans	-59.5	-43.8	178.3	0	0	0	0	0	111.6	K320 V321 K327 L328 L485 L488	K320-A324 PolarHBondContact O-N 3.3Å; V321-A324 PolarHBondContact O-N 3.4Å; A324-K327 PolarHBondContact O-N 2.99Å; A324-L328 PolarHBondContact O-N 2.84Å; A324-L328 VanDerWaalsContact O-N 3.13Å; A324-L485 HydrophobicContact CB-CB 4.01Å; A324-L485 HydrophobicContact CB-CD2 3.97Å; A324-L485 HydrophobicContact CB-CG 4.46Å; A324-L488 HydrophobicContact CB-CD2 4.18Å
325	I	98.1	Very high	97.4	Very high	1 Å²	1	59.4 Å²	59.4	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-69.5	-38.9	176.2	-61.3	169.1	0	0	0	111.1	F313 L317 V321 G322 K323 K327 L328 F329 M462 I467	F313-I325 HydrophobicContact CD2-CD1 3.93Å; F313-I325 HydrophobicContact CD2-CG2 4.28Å; F313-I325 HydrophobicContact CE2-CB 4.49Å; F313-I325 HydrophobicContact CE2-CD1 4.14Å; F313-I325 HydrophobicContact CE2-CG2 3.77Å; L317-I325 HydrophobicContact CD1-CD1 3.82Å; V321-I325 HydrophobicContact CG1-CD1 3.8Å; V321-I325 HydrophobicContact CG1-CG1 4.36Å; V321-I325 WeakPolarHBondContact O-CG1 3.42Å; V321-I325 PolarHBondContact O-N 3.24Å; G322-I325 PolarHBondContact O-N 2.81Å; K323-I325 VanDerWaalsContact C-N 3.32Å; K323-I325 PolarHBondContact O-N 2.78Å; I325-K327 VanDerWaalsContact C-N 3.33Å; I325-K327 PolarHBondContact O-N 3.13Å; I325-L328 WeakPolarHBondContact O-CB 3.47Å; I325-L328 PolarHBondContact O-N 3.13Å; I325-F329 HydrophobicContact CG2-CD2 3.84Å; I325-F329 HydrophobicContact CG2-CE2 3.73Å; I325-F329 VanDerWaalsContact O-CD2 3.27Å; I325-F329 WeakPolarHBondContact O-CD2 3.35Å; I325-F329 PolarHBondContact O-N 3.23Å; I325-F329 VanDerWaalsContact O-N 3.11Å; I325-M462 HydrophobicContact CG2-SD 4.35Å; I325-I467 HydrophobicContact CD1-CD1 4.18Å
326	M	98.5	Very high	97.7	Very high	28 Å²	28	52.9 Å²	52.9	14%	0.138	25%	0.251	C	S	.	.	H	α-helix	trans	-57.8	-46.7	175.2	-168.6	169.9	171.6	0	0	111.7	V311 P312 G322 K323 L328 F329 E330 F336 M338	V311-M326 HydrophobicContact CG1-SD 4.47Å; P312-M326 HydrophobicContact CG-CB 3.88Å; P312-M326 HydrophobicContact CG-CG 4.45Å; G322-M326 WeakPolarHBondContact O-CB 3.39Å; G322-M326 PolarHBondContact O-N 3Å; K323-M326 WeakPolarHBondContact O-CB 2.85Å; K323-M326 PolarHBondContact O-N 2.92Å; M326-L328 VanDerWaalsContact C-N 3.32Å; M326-L328 PolarHBondContact O-N 2.98Å; M326-F329 WeakPolarHBondContact O-CB 3.22Å; M326-F329 PolarHBondContact O-N 2.81Å; M326-E330 WeakPolarHBondContact O-CG 3.38Å; M326-E330 PolarHBondContact O-N 2.7Å; M326-F336 HydrophobicContact CE-CB 3.57Å; M326-F336 HydrophobicContact CE-CD1 4.39Å; M326-F336 HydrophobicContact CE-CD2 3.88Å; M326-F336 HydrophobicContact CE-CG 3.71Å; M326-F336 HydrophobicContact CG-CD2 3.8Å; M326-F336 HydrophobicContact CG-CE2 3.7Å; M326-F336 HydrophobicContact CG-CG 4.26Å; M326-F336 HydrophobicContact CG-CZ 4.07Å; M326-M338 HydrophobicContact CE-CG 3.65Å; M326-M338 HydrophobicContact CE-SD 4.43Å; M326-M338 HydrophobicContact SD-CG 4.43Å
327	K	98.3	Very high	97.9	Very high	107 Å²	107	52.7 Å²	52.7	47%	0.465	24%	0.243	S	C	.	.	H	α-helix	trans	-57.8	-42.9	175.6	-175.1	176.9	175.8	-177.4	0	111.7	K323 A324 I325 F329 E330 T331 D486	K323-K327 PolarHBondContact O-N 2.76Å; A324-K327 PolarHBondContact O-N 2.99Å; I325-K327 VanDerWaalsContact C-N 3.33Å; I325-K327 PolarHBondContact O-N 3.13Å; K327-F329 VanDerWaalsContact C-N 3.31Å; K327-F329 PolarHBondContact O-N 2.97Å; K327-E330 PolarHBondContact O-N 3.25Å; K327-T331 PolarHBondContact O-N 2.91Å; K327-T331 PolarHBondContact O-OG1 3.18Å; K327-T331 VanDerWaalsContact O-OG1 3.04Å; K327-D486 IonicContact NZ-OD1 3.57Å; K327-D486 PolarHBondContact NZ-OD1 3.23Å
328	L	98	Very high	98.1	Very high	16 Å²	16	54.4 Å²	54.4	8%	0.084	25%	0.251	C	S	.	.	H	α-helix	trans	-55.1	-45.6	173.2	172.3	65.5	0	0	0	111.9	A324 I325 M326 N332 F463 K465 L488	A324-L328 PolarHBondContact O-N 2.84Å; A324-L328 VanDerWaalsContact O-N 3.13Å; I325-L328 WeakPolarHBondContact O-CB 3.47Å; I325-L328 PolarHBondContact O-N 3.13Å; M326-L328 VanDerWaalsContact C-N 3.32Å; M326-L328 PolarHBondContact O-N 2.98Å; L328-N332 PolarHBondContact O-N 2.92Å; L328-N332 VanDerWaalsContact O-N 3.15Å; L328-N332 PolarHBondContact O-ND2 3.18Å; L328-F463 HydrophobicContact CD1-CD2 4.37Å; L328-F463 HydrophobicContact CD2-CD2 4Å; L328-F463 HydrophobicContact CG-CD2 3.89Å; L328-F463 HydrophobicContact CG-CE2 4.47Å; L328-K465 HydrophobicContact CD1-CD 4.15Å; L328-K465 HydrophobicContact CD2-CD 4.04Å; L328-L488 HydrophobicContact CB-CD1 4.04Å; L328-L488 HydrophobicContact CD1-CD1 3.79Å; L328-L488 HydrophobicContact CD2-CD1 3.96Å; L328-L488 HydrophobicContact CG-CD1 4.13Å
329	F	98.6	Very high	98.1	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-67.9	-40.9	179.3	-86.4	-106.1	0	0	0	112.1	M290 A293 A294 I325 M326 K327 N332 R333 V334 F336 M462 F463	M290-F329 HydrophobicContact CB-CE1 4.34Å; M290-F329 HydrophobicContact CB-CZ 3.92Å; M290-F329 HydrophobicContact CE-CB 4.5Å; M290-F329 HydrophobicContact CE-CD1 3.58Å; M290-F329 HydrophobicContact CE-CD2 3.56Å; M290-F329 HydrophobicContact CE-CE1 3.54Å; M290-F329 HydrophobicContact CE-CE2 3.51Å; M290-F329 HydrophobicContact CE-CG 3.6Å; M290-F329 HydrophobicContact CE-CZ 3.5Å; M290-F329 VanDerWaalsContact CE-CZ 3.5Å; M290-F329 WeakPolarHBondContact O-CE1 3.41Å; M290-F329 WeakPolarHBondContact O-CZ 3.45Å; M290-F329 HydrophobicContact SD-CE1 4.39Å; A293-F329 HydrophobicContact CB-CD1 4.37Å; A293-F329 HydrophobicContact CB-CE1 3.88Å; A294-F329 HydrophobicContact CB-CE1 3.98Å; A294-F329 HydrophobicContact CB-CZ 3.95Å; I325-F329 HydrophobicContact CG2-CD2 3.84Å; I325-F329 HydrophobicContact CG2-CE2 3.73Å; I325-F329 VanDerWaalsContact O-CD2 3.27Å; I325-F329 WeakPolarHBondContact O-CD2 3.35Å; I325-F329 PolarHBondContact O-N 3.23Å; I325-F329 VanDerWaalsContact O-N 3.11Å; M326-F329 WeakPolarHBondContact O-CB 3.22Å; M326-F329 PolarHBondContact O-N 2.81Å; K327-F329 VanDerWaalsContact C-N 3.31Å; K327-F329 PolarHBondContact O-N 2.97Å; F329-N332 CarbonylContact O-C 3.51Å; F329-N332 WeakPolarHBondContact O-CA 3.37Å; F329-N332 PolarHBondContact O-N 3.49Å; F329-R333 PolarHBondContact O-N 3.02Å; F329-V334 HydrophobicContact CB-CB 4.08Å; F329-V334 HydrophobicContact CB-CG1 4.46Å; F329-V334 HydrophobicContact CB-CG2 4.36Å; F329-V334 HydrophobicContact CD1-CB 4.26Å; F329-V334 HydrophobicContact CD1-CG1 4.24Å; F329-V334 HydrophobicContact CD1-CG2 3.89Å; F329-V334 WeakPolarHBondContact O-CB 3.21Å; F329-V334 PolarHBondContact O-N 2.77Å; F329-F336 HydrophobicContact CB-CE2 3.46Å; F329-F336 VanDerWaalsContact CB-CE2 3.46Å; F329-F336 HydrophobicContact CB-CZ 3.51Å; F329-F336 HydrophobicContact CD1-CZ 4.28Å; F329-F336 HydrophobicContact CG-CE2 4.41Å; F329-F336 AromaticContact CG-CZ 3.98Å; F329-F336 HydrophobicContact CG-CZ 3.98Å; F329-M462 HydrophobicContact CE2-CB 4.1Å; F329-M462 HydrophobicContact CE2-CG 4.24Å; F329-M462 HydrophobicContact CE2-SD 3.55Å; F329-M462 VanDerWaalsContact CE2-SD 3.55Å; F329-M462 HydrophobicContact CZ-CB 4.02Å; F329-M462 HydrophobicContact CZ-CG 3.96Å; F329-M462 HydrophobicContact CZ-SD 3.64Å; F329-F463 HydrophobicContact CB-CE2 4.38Å; F329-F463 AromaticContact CD1-CE2 3.63Å; F329-F463 HydrophobicContact CD1-CE2 3.63Å; F329-F463 AromaticContact CD1-CZ 3.86Å; F329-F463 HydrophobicContact CD1-CZ 3.86Å; F329-F463 HydrophobicContact CD2-CD2 4.35Å; F329-F463 AromaticContact CD2-CE2 3.61Å; F329-F463 HydrophobicContact CD2-CE2 3.61Å; F329-F463 AromaticContact CE1-CE2 3.62Å; F329-F463 HydrophobicContact CE1-CE2 3.62Å; F329-F463 AromaticContact CE1-CZ 3.91Å; F329-F463 HydrophobicContact CE1-CZ 3.91Å; F329-F463 HydrophobicContact CE2-CD2 4.19Å; F329-F463 AromaticContact CE2-CE2 3.64Å; F329-F463 HydrophobicContact CE2-CE2 3.64Å; F329-F463 AromaticContact CG-CE2 3.62Å; F329-F463 HydrophobicContact CG-CE2 3.62Å; F329-F463 HydrophobicContact CG-CZ 4.21Å; F329-F463 HydrophobicContact CZ-CD2 4.39Å; F329-F463 AromaticContact CZ-CE2 3.64Å; F329-F463 HydrophobicContact CZ-CE2 3.64Å; F329-F463 HydrophobicContact CZ-CZ 4.34Å
330	E	98.5	Very high	98.1	Very high	97 Å²	97	56.9 Å²	56.9	45%	0.453	27%	0.265	S	S	.	.	H	α-helix	trans	-64.2	-42	176.7	-70	174.8	154.1	0	0	112.1	M326 K327 N332 R333 F336	M326-E330 WeakPolarHBondContact O-CG 3.38Å; M326-E330 PolarHBondContact O-N 2.7Å; K327-E330 PolarHBondContact O-N 3.25Å; E330-N332 PolarHBondContact O-N 2.8Å; E330-R333 WeakPolarHBondContact O-CA 3.5Å; E330-R333 PolarHBondContact O-N 2.95Å; E330-F336 HydrophobicContact CG-CD2 3.73Å; E330-F336 HydrophobicContact CG-CE2 3.94Å
331	T	97.5	Very high	98.1	Very high	108 Å²	108	56 Å²	56	66%	0.663	26%	0.263	S	S	*	.	H	α-helix	trans	-59	-32.6	171.1	-59.5	0	0	0	0	111.6	K327 R333	K327-T331 PolarHBondContact O-N 2.91Å; K327-T331 PolarHBondContact O-OG1 3.18Å; K327-T331 VanDerWaalsContact O-OG1 3.04Å; T331-R333 PolarHBondContact O-N 2.79Å
332	N	97.9	Very high	98.1	Very high	46 Å²	46	56.2 Å²	56.2	25%	0.246	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	25.8	172.4	-73.6	-81.1	0	0	0	112.9	T297 L328 F329 E330 V334 F463	T297-N332 HydrophobicContact CG2-CB 4.27Å; T297-N332 WeakPolarHBondContact CG2-O 3.4Å; L328-N332 PolarHBondContact O-N 2.92Å; L328-N332 VanDerWaalsContact O-N 3.15Å; L328-N332 PolarHBondContact O-ND2 3.18Å; F329-N332 CarbonylContact O-C 3.51Å; F329-N332 WeakPolarHBondContact O-CA 3.37Å; F329-N332 PolarHBondContact O-N 3.49Å; E330-N332 PolarHBondContact O-N 2.8Å; N332-V334 PolarHBondContact O-N 2.7Å; N332-V334 VanDerWaalsContact O-N 3.16Å; N332-F463 HydrophobicContact CB-CD1 4.03Å; N332-F463 HydrophobicContact CB-CE1 3.57Å; N332-F463 HydrophobicContact CB-CE2 4.1Å; N332-F463 HydrophobicContact CB-CG 4.49Å; N332-F463 HydrophobicContact CB-CZ 3.6Å
333	R	97.9	Very high	98.1	Very high	185 Å²	185	58 Å²	58	70%	0.698	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.2	16.3	170.9	-53.1	173.9	-68.3	176.4	-0	115.3	F329 E330 T331	F329-R333 PolarHBondContact O-N 3.02Å; E330-R333 WeakPolarHBondContact O-CA 3.5Å; E330-R333 PolarHBondContact O-N 2.95Å; T331-R333 PolarHBondContact O-N 2.79Å
334	V	98.8	Very high	98.1	Very high	5 Å²	5	55.9 Å²	55.9	3%	0.03	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-78	132.9	172.8	175.4	0	0	0	0	109.1	V303 V305 F329 N332 F336 F463	V303-V334 HydrophobicContact CB-CG2 4.27Å; V303-V334 HydrophobicContact CG1-CG1 4.29Å; V303-V334 HydrophobicContact CG1-CG2 4.27Å; V305-V334 HydrophobicContact CB-CG1 4.31Å; V305-V334 HydrophobicContact CG2-CG1 3.51Å; F329-V334 HydrophobicContact CB-CB 4.08Å; F329-V334 HydrophobicContact CB-CG1 4.46Å; F329-V334 HydrophobicContact CB-CG2 4.36Å; F329-V334 HydrophobicContact CD1-CB 4.26Å; F329-V334 HydrophobicContact CD1-CG1 4.24Å; F329-V334 HydrophobicContact CD1-CG2 3.89Å; F329-V334 WeakPolarHBondContact O-CB 3.21Å; F329-V334 PolarHBondContact O-N 2.77Å; N332-V334 PolarHBondContact O-N 2.7Å; N332-V334 VanDerWaalsContact O-N 3.16Å; V334-F336 HydrophobicContact CG1-CE2 4.13Å; V334-F336 HydrophobicContact CG1-CZ 4.24Å; V334-F463 HydrophobicContact CG2-CZ 4.36Å
335	K	98.7	Very high	98.1	Very high	123 Å²	123	55.6 Å²	55.6	54%	0.535	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	123.2	178.6	-63.2	-179.6	-176.5	176.2	0	110.6	V303 S304 V305 Y337	V303-K335 PolarHBondContact O-N 3.38Å; S304-K335 CarbonylContact C-O 3.49Å; S304-K335 VanDerWaalsContact CA-O 3.27Å; S304-K335 WeakPolarHBondContact CA-O 3.35Å; V305-K335 PolarHBondContact N-O 3.37Å; K335-Y337 HydrophobicContact CB-CE2 3.92Å
336	F	98.8	Very high	98.2	Very high	30 Å²	30	58.4 Å²	58.4	13%	0.132	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	145.1	177.8	-72.7	-85.3	0	0	0	113.4	M290 V305 M326 F329 E330 V334 M338	M290-F336 HydrophobicContact CE-CE1 3.9Å; M290-F336 HydrophobicContact CE-CZ 3.7Å; M290-F336 HydrophobicContact SD-CE1 4.07Å; M290-F336 HydrophobicContact SD-CZ 4.44Å; V305-F336 HydrophobicContact CB-CD1 3.75Å; V305-F336 HydrophobicContact CB-CE1 3.79Å; V305-F336 HydrophobicContact CG1-CD1 3.93Å; V305-F336 HydrophobicContact CG1-CE1 3.79Å; V305-F336 HydrophobicContact CG2-CE1 4.28Å; V305-F336 CarbonylContact O-C 3.54Å; V305-F336 WeakPolarHBondContact O-CA 3.29Å; M326-F336 HydrophobicContact CE-CB 3.57Å; M326-F336 HydrophobicContact CE-CD1 4.39Å; M326-F336 HydrophobicContact CE-CD2 3.88Å; M326-F336 HydrophobicContact CE-CG 3.71Å; M326-F336 HydrophobicContact CG-CD2 3.8Å; M326-F336 HydrophobicContact CG-CE2 3.7Å; M326-F336 HydrophobicContact CG-CG 4.26Å; M326-F336 HydrophobicContact CG-CZ 4.07Å; F329-F336 HydrophobicContact CB-CE2 3.46Å; F329-F336 VanDerWaalsContact CB-CE2 3.46Å; F329-F336 HydrophobicContact CB-CZ 3.51Å; F329-F336 HydrophobicContact CD1-CZ 4.28Å; F329-F336 HydrophobicContact CG-CE2 4.41Å; F329-F336 AromaticContact CG-CZ 3.98Å; F329-F336 HydrophobicContact CG-CZ 3.98Å; E330-F336 HydrophobicContact CG-CD2 3.73Å; E330-F336 HydrophobicContact CG-CE2 3.94Å; V334-F336 HydrophobicContact CG1-CE2 4.13Å; V334-F336 HydrophobicContact CG1-CZ 4.24Å; F336-M338 HydrophobicContact CB-CG 4.03Å; F336-M338 HydrophobicContact CB-SD 4.05Å; F336-M338 HydrophobicContact CD1-SD 3.66Å; F336-M338 HydrophobicContact CG-SD 4.23Å
337	Y	98.5	Very high	98.1	Very high	35 Å²	35	58.6 Å²	58.6	14%	0.137	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	74.6	175	-59.9	-95.1	0	0	0	107.5	V305 I306 G307 K335 L357 K361 L363	V305-Y337 PolarHBondContact O-N 2.82Å; I306-Y337 WeakPolarHBondContact CA-O 3.45Å; G307-Y337 PolarHBondContact N-O 3.18Å; G307-Y337 VanDerWaalsContact N-O 3.09Å; K335-Y337 HydrophobicContact CB-CE2 3.92Å; Y337-L357 HydrophobicContact CD1-CD1 3.95Å; Y337-L357 HydrophobicContact CG-CD1 4.17Å; Y337-K361 HydrophobicContact CD1-CD 3.99Å; Y337-K361 HydrophobicContact CE1-CD 3.67Å; Y337-K361 VanDerWaalsContact CE1-CE 3.49Å; Y337-L363 HydrophobicContact CD1-CD1 4.49Å; Y337-L363 HydrophobicContact CD1-CD2 4.1Å; Y337-L363 HydrophobicContact CD2-CD1 4.01Å; Y337-L363 HydrophobicContact CE1-CD1 4.41Å; Y337-L363 HydrophobicContact CE1-CD2 3.43Å; Y337-L363 VanDerWaalsContact CE1-CD2 3.43Å; Y337-L363 HydrophobicContact CE2-CD1 3.98Å; Y337-L363 HydrophobicContact CE2-CD2 4.1Å; Y337-L363 HydrophobicContact CG-CD1 4.29Å; Y337-L363 VanDerWaalsContact CZ-CD2 3.44Å
338	M	98.1	Very high	98	Very high	36 Å²	36	58.8 Å²	58.8	18%	0.177	29%	0.292	C	S	.	.			trans	-80.4	162.8	-175.7	-55.7	-50.6	-77.3	0	0	111.6	T285 G307 E309 M326 F336 N340	T285-M338 HydrophobicContact CG2-CE 3.84Å; T285-M338 HydrophobicContact CG2-SD 4.02Å; G307-M338 CarbonylContact O-C 3.16Å; G307-M338 VanDerWaalsContact O-C 3.28Å; G307-M338 WeakPolarHBondContact O-CA 3.11Å; E309-M338 WeakPolarHBondContact O-CE 3.38Å; M326-M338 HydrophobicContact CE-CG 3.65Å; M326-M338 HydrophobicContact CE-SD 4.43Å; M326-M338 HydrophobicContact SD-CG 4.43Å; F336-M338 HydrophobicContact CB-CG 4.03Å; F336-M338 HydrophobicContact CB-SD 4.05Å; F336-M338 HydrophobicContact CD1-SD 3.66Å; F336-M338 HydrophobicContact CG-SD 4.23Å; M338-N340 PolarHBondContact O-N 2.94Å
339	L	97.6	Very high	97.9	Very high	126 Å²	126	65.9 Å²	65.9	66%	0.66	32%	0.324	S	S	*	.	S	Bend	trans	51.3	38.5	-174.7	-56.4	172.5	0	0	0	112.2	G307 E309 P310	G307-L339 PolarHBondContact O-N 2.93Å; E309-L339 PolarHBondContact O-N 3.49Å; P310-L339 HydrophobicContact CB-CD2 4.21Å
340	N	97.3	Very high	97.7	Very high	23 Å²	23	67.8 Å²	67.8	12%	0.123	34%	0.343	C	S	.	.			trans	-141.5	159	-174.2	-139.7	-41.1	0	0	0	111.6	I306 G307 M338 L357 S359	I306-N340 HydrophobicContact CG2-CB 4.41Å; I306-N340 WeakPolarHBondContact CG2-O 3.28Å; G307-N340 CarbonylContact C-O 3.54Å; G307-N340 PolarHBondContact O-N 2.97Å; M338-N340 PolarHBondContact O-N 2.94Å; N340-L357 HydrophobicContact CB-CD1 4.44Å; N340-L357 WeakPolarHBondContact OD1-CB 3.16Å; N340-S359 VanDerWaalsContact ND2-CB 3.27Å; N340-S359 WeakPolarHBondContact ND2-CB 3.39Å; N340-S359 PolarHBondContact ND2-OG 3.08Å; N340-S359 PolarHBondContact OD1-N 2.93Å
341	E	96.9	Very high	97.6	Very high	90 Å²	90	67.1 Å²	67.1	42%	0.421	34%	0.34	S	S	.	.			trans	-136.3	156.6	-178.3	-71.3	178.9	-91.7	0	0	110.1	I308 L357 K358	I308-E341 HydrophobicContact CG2-CG 3.49Å; I308-E341 VanDerWaalsContact CG2-CG 3.49Å; E341-L357 CarbonylContact O-C 3.55Å; E341-L357 VanDerWaalsContact O-CA 3.28Å; E341-L357 WeakPolarHBondContact O-CA 3.21Å; E341-K358 HydrophobicContact CB-CD 3.84Å; E341-K358 HydrophobicContact CB-CG 4.03Å; E341-K358 PolarHBondContact O-N 3.31Å; E341-K358 IonicContact OE1-NZ 2.76Å; E341-K358 PolarHBondContact OE1-NZ 3.48Å; E341-K358 IonicContact OE2-NZ 2.73Å; E341-K358 PolarHBondContact OE2-NZ 2.86Å
342	V	98	Very high	97.7	Very high	3 Å²	3	62 Å²	62	2%	0.018	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	134	170.4	179.1	0	0	0	0	109.7	Y251 V283 I306 M345 V355	Y251-V342 HydrophobicContact CG-CG1 4.31Å; V283-V342 HydrophobicContact CB-CG2 4.47Å; V283-V342 HydrophobicContact CG1-CG2 3.97Å; V283-V342 HydrophobicContact CG2-CG2 3.59Å; I306-V342 HydrophobicContact CD1-CG2 4.04Å; V342-M345 HydrophobicContact CG1-CE 3.79Å; V342-M345 HydrophobicContact CG1-SD 3.93Å; V342-M345 HydrophobicContact CG2-CE 4.29Å; V342-V355 HydrophobicContact CG1-CG1 4.01Å; V342-V355 HydrophobicContact CG2-CG1 3.86Å
343	S	98.2	Very high	97.7	Very high	38 Å²	38	62.9 Å²	62.9	27%	0.266	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	-41	169.1	57.3	0	0	0	0	111.7	Y251 K252 V356 L357	Y251-S343 WeakPolarHBondContact CA-O 3.38Å; Y251-S343 WeakPolarHBondContact CB-O 3.1Å; K252-S343 PolarHBondContact N-O 2.94Å; S343-V356 PolarHBondContact N-O 2.79Å; S343-V356 WeakPolarHBondContact OG-CG1 3.5Å; S343-V356 PolarHBondContact OG-O 2.91Å; S343-L357 PolarHBondContact OG-O 3.05Å
344	E	98.4	Very high	97.7	Very high	67 Å²	67	56 Å²	56	31%	0.313	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	141.8	-172.3	179.2	160.8	-149.7	0	0	112.3	K252 I346 V356	K252-E344 HydrophobicContact CB-CB 3.98Å; K252-E344 HydrophobicContact CB-CG 3.74Å; K252-E344 WeakPolarHBondContact O-CA 3.33Å; E344-I346 HydrophobicContact CG-CG1 3.9Å; E344-V356 HydrophobicContact CB-CB 4.14Å; E344-V356 HydrophobicContact CB-CG2 4.31Å; E344-V356 PolarHBondContact N-O 2.8Å; E344-V356 PolarHBondContact O-N 2.54Å
345	M	98.4	Very high	97.7	Very high	3 Å²	3	55.7 Å²	55.7	2%	0.015	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	120.1	166.9	-56.7	-59	-168	0	0	107.8	Y251 K252 V256 V259 V342 L352 V355 I370	Y251-M345 HydrophobicContact CD2-CE 4.49Å; Y251-M345 HydrophobicContact CD2-CG 3.63Å; Y251-M345 HydrophobicContact CE2-CE 4.3Å; Y251-M345 HydrophobicContact CE2-CG 3.56Å; K252-M345 PolarHBondContact O-N 2.79Å; V256-M345 HydrophobicContact CB-CB 4.39Å; V256-M345 HydrophobicContact CG2-CB 4.48Å; V259-M345 HydrophobicContact CG1-CE 4.27Å; V259-M345 HydrophobicContact CG2-CG 4.39Å; V342-M345 HydrophobicContact CG1-CE 3.79Å; V342-M345 HydrophobicContact CG1-SD 3.93Å; V342-M345 HydrophobicContact CG2-CE 4.29Å; M345-L352 HydrophobicContact CB-CD1 3.95Å; M345-L352 HydrophobicContact CG-CD1 4.49Å; M345-L352 HydrophobicContact SD-CD1 4.19Å; M345-V355 HydrophobicContact SD-CB 4.25Å; M345-V355 HydrophobicContact SD-CG1 3.92Å; M345-V355 HydrophobicContact SD-CG2 3.69Å; M345-I370 HydrophobicContact CE-CD1 4.35Å
346	I	98.4	Very high	97.7	Very high	60 Å²	60	50.8 Å²	50.8	31%	0.308	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	127.9	179	-58.4	178.4	0	0	0	108.6	E344 K353 E354 V356	E344-I346 HydrophobicContact CG-CG1 3.9Å; I346-K353 PolarHBondContact O-N 3.39Å; I346-E354 HydrophobicContact CB-CB 4.17Å; I346-E354 PolarHBondContact N-O 3.2Å; I346-E354 PolarHBondContact O-N 3.26Å; I346-E354 VanDerWaalsContact O-N 3.09Å; I346-V356 HydrophobicContact CD1-CG2 3.49Å; I346-V356 VanDerWaalsContact CD1-CG2 3.49Å; I346-V356 HydrophobicContact CG1-CG2 3.95Å
347	G	97.4	Very high	97.7	Very high	32 Å²	32	49.4 Å²	49.4	33%	0.33	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	153.2	177.9	0	0	0	0	0	113.6	Q351	G347-Q351 CarbonylContact C-O 3.57Å; G347-Q351 WeakPolarHBondContact CA-O 3.23Å
348	Q	96.5	Very high	97.7	Very high	111 Å²	111	53.6 Å²	53.6	52%	0.519	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	129	166.5	-169.5	-174.8	10	0	0	107.9	G350 Q351 K353	Q348-G350 PolarHBondContact O-N 2.99Å; Q348-Q351 PolarHBondContact N-O 3.01Å; Q348-Q351 PolarHBondContact O-N 3.38Å; Q348-K353 HydrophobicContact CB-CG 3.61Å
349	H	94.8	Very high	97.6	Very high	166 Å²	166	55.5 Å²	55.5	77%	0.769	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	35.8	-170.9	-51.1	-67.9	0	0	0	113.1	R257 Q351	R257-H349 PolarHBondContact NH2-O 3.46Å; H349-Q351 VanDerWaalsContact C-N 3.26Å; H349-Q351 PolarHBondContact O-N 2.91Å
350	G	94.4	Very high	97.6	Very high	39 Å²	39	52.2 Å²	52.2	40%	0.402	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.8	12.9	-179	0	0	0	0	0	115.3	R257 Q348	R257-G350 WeakPolarHBondContact CB-O 3.33Å; R257-G350 PolarHBondContact N-O 3.23Å; R257-G350 PolarHBondContact NE-O 3.49Å; Q348-G350 PolarHBondContact O-N 2.99Å
351	Q	97.3	Very high	97.7	Very high	83 Å²	83	56.1 Å²	56.1	39%	0.388	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	141.2	174.2	-62.3	-175.7	11	0	0	110.4	G347 Q348 H349 K353	G347-Q351 CarbonylContact C-O 3.57Å; G347-Q351 WeakPolarHBondContact CA-O 3.23Å; Q348-Q351 PolarHBondContact N-O 3.01Å; Q348-Q351 PolarHBondContact O-N 3.38Å; H349-Q351 VanDerWaalsContact C-N 3.26Å; H349-Q351 PolarHBondContact O-N 2.91Å; Q351-K353 PolarHBondContact O-N 3.24Å
352	L	98.6	Very high	97.7	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.005	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.8	134.1	179	-171.7	73	0	0	0	112	V256 R257 N258 V259 M345 E354 V355 A365 C368	V256-L352 VanDerWaalsContact CG1-CA 3.5Å; V256-L352 HydrophobicContact CG1-CB 3.91Å; V256-L352 HydrophobicContact CG1-CD1 4.04Å; R257-L352 WeakPolarHBondContact O-CB 3.35Å; R257-L352 PolarHBondContact O-N 3.13Å; R257-L352 VanDerWaalsContact O-N 3.09Å; N258-L352 HydrophobicContact CB-CB 4.24Å; V259-L352 HydrophobicContact CG2-CD1 4.19Å; V259-L352 HydrophobicContact CG2-CD2 4.4Å; M345-L352 HydrophobicContact CB-CD1 3.95Å; M345-L352 HydrophobicContact CG-CD1 4.49Å; M345-L352 HydrophobicContact SD-CD1 4.19Å; L352-E354 WeakPolarHBondContact CD1-O 3.41Å; L352-V355 HydrophobicContact CD1-CG2 4.26Å; L352-V355 HydrophobicContact CD2-CG2 4.35Å; L352-A365 CarbonylContact C-O 3.36Å; L352-A365 VanDerWaalsContact C-O 3.23Å; L352-A365 HydrophobicContact CD2-CB 3.58Å; L352-A365 HydrophobicContact CG-CB 4.07Å; L352-A365 WeakPolarHBondContact CG-O 3.4Å; L352-A365 VanDerWaalsContact O-O 3.11Å; L352-C368 HydrophobicContact CD2-CB 3.5Å
353	K	98.4	Very high	97.8	Very high	65 Å²	65	55.6 Å²	55.6	28%	0.283	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	-33.1	170.3	-73.3	-62.7	170.6	-164.7	0	113.6	I346 Q348 Q351 A365 D366	I346-K353 PolarHBondContact O-N 3.39Å; Q348-K353 HydrophobicContact CB-CG 3.61Å; Q351-K353 PolarHBondContact O-N 3.24Å; K353-A365 CarbonylContact C-O 3.5Å; K353-A365 WeakPolarHBondContact CA-O 3.07Å; K353-A365 PolarHBondContact N-O 3.16Å; K353-A365 PolarHBondContact O-N 2.89Å; K353-D366 IonicContact NZ-OD1 2.84Å; K353-D366 PolarHBondContact NZ-OD1 3.17Å
354	E	98.6	Very high	97.8	Very high	39 Å²	39	61.4 Å²	61.4	18%	0.182	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	147.1	-178.9	-57.6	172.5	164.2	0	0	111.8	I346 L352 V362 L363 R364	I346-E354 HydrophobicContact CB-CB 4.17Å; I346-E354 PolarHBondContact N-O 3.2Å; I346-E354 PolarHBondContact O-N 3.26Å; I346-E354 VanDerWaalsContact O-N 3.09Å; L352-E354 WeakPolarHBondContact CD1-O 3.41Å; E354-V362 HydrophobicContact CB-CG1 3.72Å; E354-V362 HydrophobicContact CG-CG1 3.94Å; E354-L363 CarbonylContact C-O 3.49Å; E354-L363 WeakPolarHBondContact CA-O 3.49Å; E354-R364 IonicContact OE1-CZ 2.88Å; E354-R364 IonicContact OE1-NE 2.81Å; E354-R364 IonicContact OE1-NH1 3.54Å; E354-R364 PolarHBondContact OE1-NH1 3.01Å; E354-R364 IonicContact OE1-NH2 2.59Å; E354-R364 PolarHBondContact OE1-NH2 2.78Å
355	V	98.7	Very high	97.8	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	116.7	168.1	-179.5	0	0	0	0	107.5	V281 I306 V342 M345 L352 L357 L363 A365	V281-V355 HydrophobicContact CB-CG2 4.11Å; V281-V355 HydrophobicContact CG1-CB 4.34Å; V281-V355 HydrophobicContact CG1-CG1 4.34Å; V281-V355 HydrophobicContact CG1-CG2 4.01Å; V281-V355 HydrophobicContact CG2-CG2 4.19Å; I306-V355 HydrophobicContact CD1-CG1 4.07Å; V342-V355 HydrophobicContact CG1-CG1 4.01Å; V342-V355 HydrophobicContact CG2-CG1 3.86Å; M345-V355 HydrophobicContact SD-CB 4.25Å; M345-V355 HydrophobicContact SD-CG1 3.92Å; M345-V355 HydrophobicContact SD-CG2 3.69Å; L352-V355 HydrophobicContact CD1-CG2 4.26Å; L352-V355 HydrophobicContact CD2-CG2 4.35Å; V355-L357 HydrophobicContact CG1-CD2 4.26Å; V355-L363 HydrophobicContact CB-CB 4.48Å; V355-L363 PolarHBondContact N-O 2.71Å; V355-L363 PolarHBondContact O-N 2.87Å; V355-A365 HydrophobicContact CG2-CB 3.71Å
356	V	98.7	Very high	97.8	Very high	20 Å²	20	59.3 Å²	59.3	12%	0.121	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	131.5	176.2	-169.8	0	0	0	0	108.6	S343 E344 I346 V362	S343-V356 PolarHBondContact N-O 2.79Å; S343-V356 WeakPolarHBondContact OG-CG1 3.5Å; S343-V356 PolarHBondContact OG-O 2.91Å; E344-V356 HydrophobicContact CB-CB 4.14Å; E344-V356 HydrophobicContact CB-CG2 4.31Å; E344-V356 PolarHBondContact N-O 2.8Å; E344-V356 PolarHBondContact O-N 2.54Å; I346-V356 HydrophobicContact CD1-CG2 3.49Å; I346-V356 VanDerWaalsContact CD1-CG2 3.49Å; I346-V356 HydrophobicContact CG1-CG2 3.95Å; V356-V362 HydrophobicContact CG1-CG2 4.37Å; V356-V362 HydrophobicContact CG2-CG2 4.32Å
357	L	98.5	Very high	97.8	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.005	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	156.4	176.4	-54.9	-170.1	0	0	0	110.8	I306 Y337 N340 E341 S343 V355 S359 G360 K361 L363	I306-L357 HydrophobicContact CD1-CD2 3.46Å; I306-L357 VanDerWaalsContact CD1-CD2 3.46Å; I306-L357 HydrophobicContact CG1-CD2 3.9Å; I306-L357 HydrophobicContact CG2-CD2 4.27Å; Y337-L357 HydrophobicContact CD1-CD1 3.95Å; Y337-L357 HydrophobicContact CG-CD1 4.17Å; N340-L357 HydrophobicContact CB-CD1 4.44Å; N340-L357 WeakPolarHBondContact OD1-CB 3.16Å; E341-L357 CarbonylContact O-C 3.55Å; E341-L357 VanDerWaalsContact O-CA 3.28Å; E341-L357 WeakPolarHBondContact O-CA 3.21Å; S343-L357 PolarHBondContact OG-O 3.05Å; V355-L357 HydrophobicContact CG1-CD2 4.26Å; L357-S359 PolarHBondContact O-N 2.95Å; L357-S359 VanDerWaalsContact O-N 3.17Å; L357-G360 PolarHBondContact O-N 2.95Å; L357-K361 HydrophobicContact CB-CB 4.49Å; L357-K361 WeakPolarHBondContact CB-O 3.33Å; L357-K361 HydrophobicContact CD1-CB 4.26Å; L357-K361 PolarHBondContact N-O 3.42Å; L357-L363 HydrophobicContact CD1-CD1 4.32Å; L357-L363 HydrophobicContact CD1-CG 4.49Å; L357-L363 HydrophobicContact CD2-CD1 4.34Å; L357-L363 HydrophobicContact CG-CG 4.48Å
358	K	97.8	Very high	97.8	Very high	122 Å²	122	54.9 Å²	54.9	53%	0.53	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-24.6	173.6	-73.6	-167.2	-171.1	167.7	0	113	E341 G360	E341-K358 HydrophobicContact CB-CD 3.84Å; E341-K358 HydrophobicContact CB-CG 4.03Å; E341-K358 PolarHBondContact O-N 3.31Å; E341-K358 IonicContact OE1-NZ 2.76Å; E341-K358 PolarHBondContact OE1-NZ 3.48Å; E341-K358 IonicContact OE2-NZ 2.73Å; E341-K358 PolarHBondContact OE2-NZ 2.86Å; K358-G360 PolarHBondContact O-N 2.77Å
359	S	97.1	Very high	97.9	Very high	77 Å²	77	49.7 Å²	49.7	54%	0.538	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	0.1	172.3	74.5	0	0	0	0	114.4	N340 L357 K361	N340-S359 VanDerWaalsContact ND2-CB 3.27Å; N340-S359 WeakPolarHBondContact ND2-CB 3.39Å; N340-S359 PolarHBondContact ND2-OG 3.08Å; N340-S359 PolarHBondContact OD1-N 2.93Å; L357-S359 PolarHBondContact O-N 2.95Å; L357-S359 VanDerWaalsContact O-N 3.17Å; S359-K361 VanDerWaalsContact C-N 3.28Å; S359-K361 PolarHBondContact O-N 2.86Å
360	G	97.4	Very high	98.1	Very high	56 Å²	56	42.2 Å²	42.2	58%	0.577	23%	0.228	S	C	*	.	S	Bend	trans	81.8	-2.8	-175.3	0	0	0	0	0	114.8	L357 K358	L357-G360 PolarHBondContact O-N 2.95Å; K358-G360 PolarHBondContact O-N 2.77Å
361	K	98.2	Very high	98	Very high	106 Å²	106	40.8 Å²	40.8	46%	0.461	21%	0.212	S	C	.	.			trans	-73.5	138.1	176.4	-170	166.5	-170.2	175.7	0	110.1	Y337 L357 S359 L363	Y337-K361 HydrophobicContact CD1-CD 3.99Å; Y337-K361 HydrophobicContact CE1-CD 3.67Å; Y337-K361 VanDerWaalsContact CE1-CE 3.49Å; L357-K361 HydrophobicContact CB-CB 4.49Å; L357-K361 WeakPolarHBondContact CB-O 3.33Å; L357-K361 HydrophobicContact CD1-CB 4.26Å; L357-K361 PolarHBondContact N-O 3.42Å; S359-K361 VanDerWaalsContact C-N 3.28Å; S359-K361 PolarHBondContact O-N 2.86Å; K361-L363 HydrophobicContact CD-CD2 4.4Å; K361-L363 HydrophobicContact CG-CD2 4.17Å
362	V	98.5	Very high	97.7	Very high	73 Å²	73	38.7 Å²	38.7	44%	0.442	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	127.4	179.9	-174.8	0	0	0	0	109.3	E354 V356	E354-V362 HydrophobicContact CB-CG1 3.72Å; E354-V362 HydrophobicContact CG-CG1 3.94Å; V356-V362 HydrophobicContact CG1-CG2 4.37Å; V356-V362 HydrophobicContact CG2-CG2 4.32Å
363	L	98.7	Very high	97.3	Very high	8 Å²	8	40.6 Å²	40.6	4%	0.042	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	131.2	178.1	-50.2	-174.9	0	0	0	109.5	V281 I306 Y337 E354 V355 L357 K361 A365	V281-L363 HydrophobicContact CG2-CB 4.27Å; V281-L363 HydrophobicContact CG2-CD1 4.37Å; I306-L363 HydrophobicContact CD1-CD1 4.1Å; I306-L363 HydrophobicContact CG1-CD1 4.22Å; Y337-L363 HydrophobicContact CD1-CD1 4.49Å; Y337-L363 HydrophobicContact CD1-CD2 4.1Å; Y337-L363 HydrophobicContact CD2-CD1 4.01Å; Y337-L363 HydrophobicContact CE1-CD1 4.41Å; Y337-L363 HydrophobicContact CE1-CD2 3.43Å; Y337-L363 VanDerWaalsContact CE1-CD2 3.43Å; Y337-L363 HydrophobicContact CE2-CD1 3.98Å; Y337-L363 HydrophobicContact CE2-CD2 4.1Å; Y337-L363 HydrophobicContact CG-CD1 4.29Å; Y337-L363 VanDerWaalsContact CZ-CD2 3.44Å; E354-L363 CarbonylContact C-O 3.49Å; E354-L363 WeakPolarHBondContact CA-O 3.49Å; V355-L363 HydrophobicContact CB-CB 4.48Å; V355-L363 PolarHBondContact N-O 2.71Å; V355-L363 PolarHBondContact O-N 2.87Å; L357-L363 HydrophobicContact CD1-CD1 4.32Å; L357-L363 HydrophobicContact CD1-CG 4.49Å; L357-L363 HydrophobicContact CD2-CD1 4.34Å; L357-L363 HydrophobicContact CG-CG 4.48Å; K361-L363 HydrophobicContact CD-CD2 4.4Å; K361-L363 HydrophobicContact CG-CD2 4.17Å; L363-A365 PolarHBondContact O-N 3.03Å
364	R	98.4	Very high	97.2	Very high	161 Å²	161	40.4 Å²	40.4	61%	0.608	24%	0.236	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-66.9	132.6	167.7	-65.9	-67.7	-179.6	-171.1	-9.9	109.2	N279 E354	N279-R364 WeakPolarHBondContact CB-O 3.23Å; E354-R364 IonicContact OE1-CZ 2.88Å; E354-R364 IonicContact OE1-NE 2.81Å; E354-R364 IonicContact OE1-NH1 3.54Å; E354-R364 PolarHBondContact OE1-NH1 3.01Å; E354-R364 IonicContact OE1-NH2 2.59Å; E354-R364 PolarHBondContact OE1-NH2 2.78Å
365	A	98.5	Very high	97	Very high	1 Å²	1	41 Å²	41	1%	0.008	24%	0.243	C	C	.	.			trans	-150.7	125.4	-177.8	0	0	0	0	0	110.2	V281 L352 K353 V355 L363	V281-A365 HydrophobicContact CB-CB 4.13Å; V281-A365 HydrophobicContact CG2-CB 3.53Å; L352-A365 CarbonylContact C-O 3.36Å; L352-A365 VanDerWaalsContact C-O 3.23Å; L352-A365 HydrophobicContact CD2-CB 3.58Å; L352-A365 HydrophobicContact CG-CB 4.07Å; L352-A365 WeakPolarHBondContact CG-O 3.4Å; L352-A365 VanDerWaalsContact O-O 3.11Å; K353-A365 CarbonylContact C-O 3.5Å; K353-A365 WeakPolarHBondContact CA-O 3.07Å; K353-A365 PolarHBondContact N-O 3.16Å; K353-A365 PolarHBondContact O-N 2.89Å; V355-A365 HydrophobicContact CG2-CB 3.71Å; L363-A365 PolarHBondContact O-N 3.03Å
366	D	98.4	Very high	97	Very high	24 Å²	24	41.7 Å²	41.7	13%	0.128	25%	0.247	C	C	.	.	S	Bend	trans	-97.6	-22.9	171.7	-59.1	-80.2	0	0	0	111.1	N258 K278 N279 K353	N258-D366 VanDerWaalsContact CB-O 3.24Å; N258-D366 WeakPolarHBondContact CB-O 3.44Å; N258-D366 PolarHBondContact ND2-O 3.04Å; N258-D366 VanDerWaalsContact ND2-O 3.12Å; K278-D366 HydrophobicContact CB-CB 3.83Å; K278-D366 HydrophobicContact CD-CB 4.36Å; K278-D366 HydrophobicContact CG-CB 4.21Å; N279-D366 PolarHBondContact N-OD2 3.44Å; N279-D366 PolarHBondContact ND2-OD2 3.24Å; N279-D366 PolarHBondContact O-N 2.66Å; K353-D366 IonicContact NZ-OD1 2.84Å; K353-D366 PolarHBondContact NZ-OD1 3.17Å
367	V	98.6	Very high	96.9	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	138.7	174.8	60.3	0	0	0	0	110.3	N258 F260 L274 A275 N279 A280 V281	N258-V367 WeakPolarHBondContact O-CA 2.95Å; F260-V367 HydrophobicContact CD2-CG2 3.82Å; F260-V367 HydrophobicContact CE2-CG2 3.86Å; L274-V367 HydrophobicContact CB-CB 4.22Å; L274-V367 HydrophobicContact CB-CG2 4.4Å; A275-V367 HydrophobicContact CB-CG1 3.85Å; N279-V367 PolarHBondContact O-N 3.36Å; A280-V367 WeakPolarHBondContact CA-O 3.4Å; A280-V367 HydrophobicContact CB-CG1 3.8Å; V281-V367 PolarHBondContact N-O 3.38Å
368	C	98.6	Very high	96.9	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	138.6	172.6	-177.3	0	0	0	0	111.3	N258 V259 F260 V281 L352	N258-C368 PolarHBondContact O-N 3.37Å; V259-C368 CarbonylContact C-O 3.54Å; V259-C368 WeakPolarHBondContact CA-O 3.4Å; V259-C368 HydrophobicContact CG1-CB 4.32Å; V259-C368 HydrophobicContact CG2-CB 4.26Å; F260-C368 PolarHBondContact N-O 2.83Å; V281-C368 CarbonylContact O-C 3.57Å; V281-C368 WeakPolarHBondContact O-CA 3.5Å; V281-C368 PolarHBondContact O-SG 2.91Å; V281-C368 VanDerWaalsContact O-SG 3.37Å; L352-C368 HydrophobicContact CD2-CB 3.5Å
369	V	98.3	Very high	96.8	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.012	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	123.2	174.6	-173.9	0	0	0	0	109.9	F260 I271 V281 I282 V283 V292	F260-V369 WeakPolarHBondContact O-CA 3.15Å; I271-V369 HydrophobicContact CB-CG2 4.5Å; I271-V369 HydrophobicContact CD1-CG1 4.16Å; I271-V369 HydrophobicContact CD1-CG2 3.73Å; I271-V369 HydrophobicContact CG1-CG2 3.84Å; I271-V369 HydrophobicContact CG2-CG2 3.81Å; V281-V369 PolarHBondContact O-N 3.05Å; I282-V369 CarbonylContact C-O 3.58Å; I282-V369 WeakPolarHBondContact CA-O 3.44Å; I282-V369 HydrophobicContact CD1-CB 3.75Å; I282-V369 HydrophobicContact CD1-CG2 3.95Å; V283-V369 PolarHBondContact N-O 2.77Å; V292-V369 HydrophobicContact CG1-CB 4.37Å; V292-V369 HydrophobicContact CG1-CG1 4.3Å; V292-V369 HydrophobicContact CG1-CG2 4.07Å
370	I	97.4	Very high	96.8	Very high	9 Å²	9	36.1 Å²	36.1	5%	0.046	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	104.6	-179.3	-58.4	175.7	0	0	0	110.1	M249 Y251 V259 F260 H261 V283 M345 A372	M249-I370 HydrophobicContact SD-CG2 3.42Å; M249-I370 WeakPolarHBondContact SD-CG2 3.24Å; Y251-I370 HydrophobicContact CE1-CD1 3.94Å; Y251-I370 WeakPolarHBondContact OH-CD1 3.39Å; V259-I370 HydrophobicContact CG1-CD1 3.61Å; V259-I370 HydrophobicContact CG1-CG1 4.09Å; F260-I370 PolarHBondContact O-N 3.47Å; H261-I370 PolarHBondContact ND1-O 2.89Å; V283-I370 HydrophobicContact CB-CG1 4.29Å; V283-I370 HydrophobicContact CG2-CG1 4.41Å; M345-I370 HydrophobicContact CE-CD1 4.35Å; I370-A372 HydrophobicContact CG2-CB 4.06Å
371	G	94.3	Very high	96.8	Very high	8 Å²	8	33.6 Å²	33.6	8%	0.082	20%	0.202	C	C	.	.			trans	-111.6	40.2	175	0	0	0	0	0	113.1	V283 S286 G373	V283-G371 CarbonylContact O-C 3.57Å; V283-G371 WeakPolarHBondContact O-CA 3.21Å; V283-G371 PolarHBondContact O-N 2.92Å; S286-G371 PolarHBondContact OG-O 2.99Å; G371-G373 VanDerWaalsContact C-N 3.28Å; G371-G373 PolarHBondContact O-N 3Å
372	A	90.2	Very high	96.4	Very high	39 Å²	39	37.2 Å²	37.2	32%	0.322	22%	0.218	S	C	.	.	S	Bend	trans	-87.5	23.9	-172.2	0	0	0	0	0	115	M249 V283 I370	M249-A372 HydrophobicContact CG-CB 4.45Å; M249-A372 HydrophobicContact SD-CB 3.5Å; M249-A372 WeakPolarHBondContact SD-CB 3.2Å; V283-A372 PolarHBondContact O-N 3.28Å; I370-A372 HydrophobicContact CG2-CB 4.06Å
373	G	91	Very high	96	Very high	41 Å²	41	43.1 Å²	43.1	42%	0.423	24%	0.241	S	C	.	.			trans	99	-179.4	-179.7	0	0	0	0	0	114.2	K247 G371	K247-G373 WeakPolarHBondContact CB-O 3.5Å; K247-G373 PolarHBondContact N-O 3.28Å; G371-G373 VanDerWaalsContact C-N 3.28Å; G371-G373 PolarHBondContact O-N 3Å
374	S	94.4	Very high	95.8	Very high	61 Å²	61	42.9 Å²	42.9	43%	0.427	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	164.8	-174.3	61.3	0	0	0	0	112.3	K245	K245-S374 CarbonylContact O-C 3.59Å; K245-S374 VanDerWaalsContact O-CA 3.23Å; K245-S374 WeakPolarHBondContact O-CA 3.43Å; K245-S374 VanDerWaalsContact O-CB 3.27Å; K245-S374 WeakPolarHBondContact O-CB 3.47Å
375	V	96.3	Very high	95.6	Very high	53 Å²	53	37.5 Å²	37.5	32%	0.321	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	153.1	174	-65.3	0	0	0	0	109.3	S244 K245 K247	S244-V375 CarbonylContact C-O 3.52Å; S244-V375 WeakPolarHBondContact CA-O 3.32Å; S244-V375 WeakPolarHBondContact CB-O 3.48Å; K245-V375 PolarHBondContact N-O 2.9Å; K245-V375 PolarHBondContact O-N 3.41Å; K247-V375 HydrophobicContact CB-CG1 4.33Å; K247-V375 HydrophobicContact CG-CG1 4.17Å
376	P	97.6	Very high	95.6	Very high	13 Å²	13	38 Å²	38	8%	0.084	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	141.5	179.5	26.2	-34.4	0	0	0	111.6	T378 G392 F393 V413	P376-T378 VanDerWaalsContact C-N 3.27Å; P376-T378 HydrophobicContact CB-CG2 4.07Å; P376-T378 PolarHBondContact O-N 3.47Å; P376-G392 VanDerWaalsContact CG-O 3.23Å; P376-G392 WeakPolarHBondContact CG-O 3.24Å; P376-F393 HydrophobicContact CB-CD1 3.61Å; P376-F393 HydrophobicContact CB-CE1 3.84Å; P376-F393 HydrophobicContact CB-CG 4.2Å; P376-F393 HydrophobicContact CG-CD1 3.76Å; P376-F393 HydrophobicContact CG-CD2 4.25Å; P376-F393 HydrophobicContact CG-CE1 3.9Å; P376-F393 HydrophobicContact CG-CE2 4.38Å; P376-F393 HydrophobicContact CG-CG 3.92Å; P376-F393 HydrophobicContact CG-CZ 4.22Å; P376-V413 HydrophobicContact CB-CG2 4.12Å
377	A	97.3	Very high	95.6	Very high	8 Å²	8	42.3 Å²	42.3	7%	0.066	26%	0.256	C	S	.	.	S	Bend	trans	-83.2	66.3	-179.1	0	0	0	0	0	111.3	S242 G243 K245 F380	S242-A377 WeakPolarHBondContact O-CB 3.42Å; S242-A377 PolarHBondContact OG-O 2.87Å; G243-A377 PolarHBondContact O-N 3.45Å; K245-A377 HydrophobicContact CD-CB 4.33Å; K245-A377 HydrophobicContact CG-CB 3.94Å; A377-F380 WeakPolarHBondContact O-CE1 3.39Å
378	T	97.8	Very high	95.5	Very high	14 Å²	14	45.1 Å²	45.1	9%	0.086	27%	0.271	C	S	.	.			trans	-112.4	11	-171.8	50.3	0	0	0	0	114.3	P376 F380 L381 L388 G392 I394 V413	P376-T378 VanDerWaalsContact C-N 3.27Å; P376-T378 HydrophobicContact CB-CG2 4.07Å; P376-T378 PolarHBondContact O-N 3.47Å; T378-F380 VanDerWaalsContact C-N 3.27Å; T378-F380 PolarHBondContact O-N 3.48Å; T378-L381 HydrophobicContact CG2-CD1 4.02Å; T378-L381 WeakPolarHBondContact O-CB 3.2Å; T378-L381 PolarHBondContact O-N 3.5Å; T378-L388 HydrophobicContact CG2-CD2 4.11Å; T378-G392 VanDerWaalsContact CG2-O 3.31Å; T378-G392 WeakPolarHBondContact CG2-O 3.49Å; T378-G392 PolarHBondContact OG1-O 2.93Å; T378-I394 HydrophobicContact CG2-CD1 4.18Å; T378-I394 HydrophobicContact CG2-CG1 3.78Å; T378-V413 HydrophobicContact CG2-CG2 3.4Å
379	G	96.3	Very high	95.4	Very high	53 Å²	53	47.2 Å²	47.2	55%	0.546	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-54.8	-37.7	-175.7	0	0	0	0	0	114.6	L381 K382	G379-L381 PolarHBondContact O-N 2.78Å; G379-K382 WeakPolarHBondContact O-CG 3.25Å
380	F	97.1	Very high	95.3	Very high	28 Å²	28	53.3 Å²	53.3	12%	0.123	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-71.6	-7.1	178.8	70.5	-86.8	0	0	0	114.1	V145 V215 V216 M218 I240 A377 T378	V145-F380 HydrophobicContact CG1-CZ 4.45Å; V215-F380 HydrophobicContact CG1-CD2 3.79Å; V215-F380 HydrophobicContact CG1-CE2 4.07Å; V215-F380 HydrophobicContact CG1-CG 4.28Å; V216-F380 VanDerWaalsContact C-CB 3.46Å; V216-F380 WeakPolarHBondContact O-CA 3.41Å; V216-F380 VanDerWaalsContact O-CB 3.25Å; V216-F380 WeakPolarHBondContact O-CB 3.3Å; M218-F380 HydrophobicContact CB-CD2 4.32Å; I240-F380 HydrophobicContact CG2-CZ 3.83Å; A377-F380 WeakPolarHBondContact O-CE1 3.39Å; T378-F380 VanDerWaalsContact C-N 3.27Å; T378-F380 PolarHBondContact O-N 3.48Å
381	L	97.2	Very high	95.2	Very high	3 Å²	3	60.5 Å²	60.5	2%	0.016	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-95.6	-6.4	-177	-62.3	178.1	0	0	0	114.3	M218 I240 T378 G379 Q383 S384 I386 L388 I394	M218-L381 HydrophobicContact CB-CD2 4.4Å; M218-L381 HydrophobicContact CE-CD2 3.79Å; M218-L381 HydrophobicContact SD-CD2 3.95Å; I240-L381 HydrophobicContact CD1-CD1 4.35Å; I240-L381 HydrophobicContact CD1-CD2 4.04Å; T378-L381 HydrophobicContact CG2-CD1 4.02Å; T378-L381 WeakPolarHBondContact O-CB 3.2Å; T378-L381 PolarHBondContact O-N 3.5Å; G379-L381 PolarHBondContact O-N 2.78Å; L381-Q383 PolarHBondContact O-N 3.04Å; L381-S384 WeakPolarHBondContact O-CB 3.47Å; L381-S384 PolarHBondContact O-N 3.33Å; L381-S384 PolarHBondContact O-OG 2.93Å; L381-I386 HydrophobicContact CD1-CG2 4.35Å; L381-I386 HydrophobicContact CD2-CG1 4.37Å; L381-L388 HydrophobicContact CD1-CD2 4.19Å; L381-I394 HydrophobicContact CD1-CD1 3.52Å; L381-I394 HydrophobicContact CD1-CG1 3.73Å
382	K	88.9	Confident	95.4	Very high	183 Å²	183	61 Å²	61	80%	0.796	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.4	-32.3	-170.8	-77.6	178.9	179.2	-179	0	115.1	G379	G379-K382 WeakPolarHBondContact O-CG 3.25Å
383	Q	89.6	Confident	95.8	Very high	196 Å²	196	60.5 Å²	60.5	92%	0.916	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.5	11.7	-178.7	-66.5	178	-17.6	0	0	113.1	L381	L381-Q383 PolarHBondContact O-N 3.04Å
384	S	94.6	Very high	96.1	Very high	4 Å²	4	58.5 Å²	58.5	3%	0.028	33%	0.331	C	S	.	.	S	Bend	trans	-80.3	-16.9	-174.1	68.3	0	0	0	0	114.1	M218 V220 L381 I386	M218-S384 VanDerWaalsContact CE-CB 3.49Å; V220-S384 WeakPolarHBondContact CG1-O 3.33Å; V220-S384 WeakPolarHBondContact CG2-O 3.1Å; L381-S384 WeakPolarHBondContact O-CB 3.47Å; L381-S384 PolarHBondContact O-N 3.33Å; L381-S384 PolarHBondContact O-OG 2.93Å; S384-I386 VanDerWaalsContact C-N 3.3Å; S384-I386 WeakPolarHBondContact OG-CG1 3.3Å; S384-I386 PolarHBondContact OG-N 2.88Å
385	G	95.4	Very high	96.3	Very high	47 Å²	47	56.8 Å²	56.8	49%	0.485	32%	0.318	S	S	.	.			trans	80.9	2.3	-171	0	0	0	0	0	114.7	N403	G385-N403 PolarHBondContact O-ND2 3.47Å
386	I	98.1	Very high	96.4	Very high	11 Å²	11	54.7 Å²	54.7	6%	0.056	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-72.4	130.4	170.7	-63.4	-67.8	0	0	0	110.3	M218 L381 S384 L388 I394 T402 N403 V404 V407	M218-I386 HydrophobicContact CE-CD1 3.91Å; M218-I386 HydrophobicContact CE-CG1 3.29Å; L381-I386 HydrophobicContact CD1-CG2 4.35Å; L381-I386 HydrophobicContact CD2-CG1 4.37Å; S384-I386 VanDerWaalsContact C-N 3.3Å; S384-I386 WeakPolarHBondContact OG-CG1 3.3Å; S384-I386 PolarHBondContact OG-N 2.88Å; I386-L388 HydrophobicContact CG2-CD2 4.4Å; I386-L388 PolarHBondContact O-N 3.42Å; I386-I394 HydrophobicContact CG2-CG1 4.44Å; I386-I394 HydrophobicContact CG2-CG2 3.77Å; I386-T402 HydrophobicContact CD1-CG2 4.27Å; I386-T402 WeakPolarHBondContact CD1-OG1 3.09Å; I386-T402 HydrophobicContact CG2-CG2 4.48Å; I386-N403 WeakPolarHBondContact CA-OD1 3.17Å; I386-V404 HydrophobicContact CD1-CB 3.91Å; I386-V404 HydrophobicContact CD1-CG2 3.63Å; I386-V407 HydrophobicContact CD1-CB 4.32Å; I386-V407 HydrophobicContact CD1-CG1 3.86Å
387	H	97.7	Very high	96.3	Very high	115 Å²	115	56.9 Å²	56.9	53%	0.532	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-73	117.6	178.4	-69.9	177.5	0	0	0	111.6	T395 N403	H387-T395 PolarHBondContact O-N 3.42Å; H387-T395 PolarHBondContact O-OG1 3.48Å; H387-N403 HydrophobicContact CB-CB 4.47Å; H387-N403 PolarHBondContact CD2-ND2 2.94Å; H387-N403 PolarHBondContact N-OD1 3.02Å
388	L	97.9	Very high	96.2	Very high	60 Å²	60	62.2 Å²	62.2	31%	0.314	34%	0.338	S	S	.	.	B	Isolated β-bridge	trans	-101.7	144.6	169.9	-52.9	-178.1	0	0	0	110	T378 L381 I386 F393 I394	T378-L388 HydrophobicContact CG2-CD2 4.11Å; L381-L388 HydrophobicContact CD1-CD2 4.19Å; I386-L388 HydrophobicContact CG2-CD2 4.4Å; I386-L388 PolarHBondContact O-N 3.42Å; L388-F393 CarbonylContact C-O 3.56Å; L388-F393 VanDerWaalsContact CA-O 3.23Å; L388-F393 WeakPolarHBondContact CA-O 3.22Å; L388-I394 HydrophobicContact CD2-CB 4.32Å; L388-I394 HydrophobicContact CD2-CG1 3.7Å
389	D	96.9	Very high	96	Very high	44 Å²	44	64.1 Å²	64.1	24%	0.235	35%	0.346	C	S	.	.			trans	-74.2	176.6	169.4	73	17.5	0	0	0	111.8	K391 G392 F393 T395 T415	D389-K391 PolarHBondContact O-N 3.2Å; D389-K391 WeakPolarHBondContact OD1-CA 3.37Å; D389-K391 WeakPolarHBondContact OD1-CB 3.42Å; D389-K391 PolarHBondContact OD1-N 2.96Å; D389-G392 PolarHBondContact O-N 3.11Å; D389-G392 PolarHBondContact OD1-N 2.88Å; D389-F393 PolarHBondContact N-O 3.2Å; D389-F393 PolarHBondContact OD1-N 2.85Å; D389-T395 HydrophobicContact CB-CG2 3.97Å; D389-T415 WeakPolarHBondContact OD2-CB 3.25Å; D389-T415 PolarHBondContact OD2-OG1 2.88Å
390	S	95.9	Very high	96.1	Very high	130 Å²	130	61.7 Å²	61.7	91%	0.909	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-12.7	-178.6	58.5	0	0	0	0	114.5
391	K	95.8	Very high	96.1	Very high	160 Å²	160	62 Å²	62	70%	0.696	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	1.5	175.9	-62.8	176.9	-177	174.5	0	112.2	D389 F393	D389-K391 PolarHBondContact O-N 3.2Å; D389-K391 WeakPolarHBondContact OD1-CA 3.37Å; D389-K391 WeakPolarHBondContact OD1-CB 3.42Å; D389-K391 PolarHBondContact OD1-N 2.96Å; K391-F393 HydrophobicContact CB-CD2 3.69Å; K391-F393 HydrophobicContact CB-CE2 3.72Å; K391-F393 HydrophobicContact CD-CE2 4.31Å
392	G	96.9	Very high	96.2	Very high	19 Å²	19	62.4 Å²	62.4	20%	0.196	33%	0.325	C	S	.	.	S	Bend	trans	87	9.5	176.9	0	0	0	0	0	114.9	P376 T378 D389	P376-G392 VanDerWaalsContact CG-O 3.23Å; P376-G392 WeakPolarHBondContact CG-O 3.24Å; T378-G392 VanDerWaalsContact CG2-O 3.31Å; T378-G392 WeakPolarHBondContact CG2-O 3.49Å; T378-G392 PolarHBondContact OG1-O 2.93Å; D389-G392 PolarHBondContact O-N 3.11Å; D389-G392 PolarHBondContact OD1-N 2.88Å
393	F	98.4	Very high	96.7	Very high	27 Å²	27	57 Å²	57	12%	0.118	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-81.4	145.4	177	-64.2	-85.2	0	0	0	111	P376 L388 D389 K391 T395 D412 V413 T415 N427	P376-F393 HydrophobicContact CB-CD1 3.61Å; P376-F393 HydrophobicContact CB-CE1 3.84Å; P376-F393 HydrophobicContact CB-CG 4.2Å; P376-F393 HydrophobicContact CG-CD1 3.76Å; P376-F393 HydrophobicContact CG-CD2 4.25Å; P376-F393 HydrophobicContact CG-CE1 3.9Å; P376-F393 HydrophobicContact CG-CE2 4.38Å; P376-F393 HydrophobicContact CG-CG 3.92Å; P376-F393 HydrophobicContact CG-CZ 4.22Å; L388-F393 CarbonylContact C-O 3.56Å; L388-F393 VanDerWaalsContact CA-O 3.23Å; L388-F393 WeakPolarHBondContact CA-O 3.22Å; D389-F393 PolarHBondContact N-O 3.2Å; D389-F393 PolarHBondContact OD1-N 2.85Å; K391-F393 HydrophobicContact CB-CD2 3.69Å; K391-F393 HydrophobicContact CB-CE2 3.72Å; K391-F393 HydrophobicContact CD-CE2 4.31Å; F393-T395 PolarHBondContact O-N 3.05Å; F393-D412 WeakPolarHBondContact CE1-O 3.34Å; F393-V413 WeakPolarHBondContact CA-O 3.27Å; F393-T415 VanDerWaalsContact CB-OG1 3.29Å; F393-T415 WeakPolarHBondContact CB-OG1 3.23Å; F393-N427 WeakPolarHBondContact CD1-ND2 3.27Å; F393-N427 HydrophobicContact CE1-CB 4.33Å; F393-N427 VanDerWaalsContact CE1-CG 3.44Å; F393-N427 VanDerWaalsContact CE1-ND2 3.31Å; F393-N427 WeakPolarHBondContact CE1-ND2 3.45Å; F393-N427 HydrophobicContact CZ-CB 4.37Å
394	I	98.8	Very high	97.1	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	125.9	175.6	-57	170.6	0	0	0	108.9	I240 T378 L381 I386 L388 V396 T402 A409 V413 V414 T415	I240-I394 HydrophobicContact CB-CD1 4.03Å; I240-I394 HydrophobicContact CD1-CD1 4.16Å; I240-I394 HydrophobicContact CG2-CD1 3.56Å; T378-I394 HydrophobicContact CG2-CD1 4.18Å; T378-I394 HydrophobicContact CG2-CG1 3.78Å; L381-I394 HydrophobicContact CD1-CD1 3.52Å; L381-I394 HydrophobicContact CD1-CG1 3.73Å; I386-I394 HydrophobicContact CG2-CG1 4.44Å; I386-I394 HydrophobicContact CG2-CG2 3.77Å; L388-I394 HydrophobicContact CD2-CB 4.32Å; L388-I394 HydrophobicContact CD2-CG1 3.7Å; I394-V396 HydrophobicContact CG2-CG1 4.21Å; I394-T402 HydrophobicContact CG2-CG2 3.65Å; I394-A409 HydrophobicContact CB-CB 4.2Å; I394-A409 HydrophobicContact CD1-CB 3.86Å; I394-A409 HydrophobicContact CG2-CB 3.8Å; I394-V413 HydrophobicContact CD1-CG1 4.03Å; I394-V413 HydrophobicContact CD1-CG2 3.89Å; I394-V413 HydrophobicContact CG1-CG2 4.23Å; I394-V413 PolarHBondContact N-O 3.06Å; I394-V414 HydrophobicContact CB-CG1 4.32Å; I394-V414 CarbonylContact O-C 3.56Å; I394-V414 VanDerWaalsContact O-CA 3.27Å; I394-V414 WeakPolarHBondContact O-CA 3.34Å; I394-T415 PolarHBondContact O-N 3.29Å
395	T	98.4	Very high	97.2	Very high	25 Å²	25	53.5 Å²	53.5	15%	0.153	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	130.6	175.8	63.5	0	0	0	0	110.9	H387 D389 F393	H387-T395 PolarHBondContact O-N 3.42Å; H387-T395 PolarHBondContact O-OG1 3.48Å; D389-T395 HydrophobicContact CB-CG2 3.97Å; F393-T395 PolarHBondContact O-N 3.05Å
396	V	98.1	Very high	97.3	Very high	8 Å²	8	51.3 Å²	51.3	5%	0.048	27%	0.271	C	S	.	.			trans	-128.8	160.5	-179.6	-61.6	0	0	0	0	112.5	I394 M400 Q401 T402 A409 V414 T415 F416 P417	I394-V396 HydrophobicContact CG2-CG1 4.21Å; V396-M400 HydrophobicContact CG2-SD 3.87Å; V396-Q401 CarbonylContact C-O 3.52Å; V396-Q401 VanDerWaalsContact CA-O 3.24Å; V396-Q401 WeakPolarHBondContact CA-O 3.31Å; V396-T402 HydrophobicContact CG1-CG2 4.25Å; V396-A409 HydrophobicContact CG1-CB 3.95Å; V396-V414 HydrophobicContact CG1-CB 4.46Å; V396-V414 HydrophobicContact CG1-CG1 4.04Å; V396-V414 HydrophobicContact CG2-CB 4.22Å; V396-V414 HydrophobicContact CG2-CG2 4.48Å; V396-T415 PolarHBondContact N-O 3.23Å; V396-F416 HydrophobicContact CG2-CB 3.59Å; V396-P417 VanDerWaalsContact O-CD 3.3Å; V396-P417 WeakPolarHBondContact O-CD 3.31Å
397	N	95.8	Very high	97.3	Very high	60 Å²	60	50.8 Å²	50.8	32%	0.321	27%	0.268	S	S	.	.			trans	-85.9	-174.2	170.6	73.1	15.5	0	0	0	111.8	M399 M400 Q401	N397-M399 PolarHBondContact O-N 3.15Å; N397-M399 WeakPolarHBondContact OD1-CA 3.08Å; N397-M399 WeakPolarHBondContact OD1-CB 3.24Å; N397-M399 PolarHBondContact OD1-N 3.26Å; N397-M400 PolarHBondContact O-N 2.93Å; N397-M400 PolarHBondContact OD1-N 3.05Å; N397-Q401 PolarHBondContact N-O 3Å; N397-Q401 PolarHBondContact OD1-N 3.39Å
398	K	94.1	Very high	97.3	Very high	120 Å²	120	45.4 Å²	45.4	52%	0.522	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-19.3	-179.3	-64.5	-177.5	-179.7	-175.7	0	114.1	P417 N423 V440	K398-P417 HydrophobicContact CB-CG 4.49Å; K398-P417 HydrophobicContact CG-CB 4.46Å; K398-P417 HydrophobicContact CG-CG 3.75Å; K398-N423 WeakPolarHBondContact CE-OD1 3.39Å; K398-N423 PolarHBondContact NZ-OD1 3.37Å; K398-V440 WeakPolarHBondContact O-CG1 3.28Å
399	M	94.8	Very high	97.4	Very high	53 Å²	53	42.6 Å²	42.6	26%	0.261	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	12.9	176	-58.9	-174.5	-63	0	0	112	N397 Q401 F408 V449	N397-M399 PolarHBondContact O-N 3.15Å; N397-M399 WeakPolarHBondContact OD1-CA 3.08Å; N397-M399 WeakPolarHBondContact OD1-CB 3.24Å; N397-M399 PolarHBondContact OD1-N 3.26Å; M399-Q401 PolarHBondContact O-N 2.99Å; M399-F408 WeakPolarHBondContact O-CD1 3.5Å; M399-V449 HydrophobicContact SD-CG2 4.25Å
400	M	97.5	Very high	97.5	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.01	22%	0.217	C	C	.	.	S	Bend	trans	63.7	17.2	-177	-55.4	-60.1	159.9	0	0	114.4	V396 N397 F408 A409 F416 H437 V440 A441 F452	V396-M400 HydrophobicContact CG2-SD 3.87Å; N397-M400 PolarHBondContact O-N 2.93Å; N397-M400 PolarHBondContact OD1-N 3.05Å; M400-F408 CarbonylContact O-C 3Å; M400-F408 WeakPolarHBondContact O-CA 3.39Å; M400-F408 WeakPolarHBondContact O-CB 3.35Å; M400-A409 WeakPolarHBondContact CB-O 3.39Å; M400-A409 PolarHBondContact O-N 2.79Å; M400-F416 HydrophobicContact CE-CB 4.37Å; M400-F416 HydrophobicContact CE-CD2 4.23Å; M400-F416 HydrophobicContact CE-CG 4.46Å; M400-F416 HydrophobicContact SD-CB 4.26Å; M400-H437 VanDerWaalsContact CE-CD2 3.47Å; M400-H437 WeakPolarHBondContact CE-CD2 3.46Å; M400-H437 HydrophobicContact SD-CB 4.34Å; M400-V440 HydrophobicContact CE-CG1 4.41Å; M400-V440 HydrophobicContact CG-CB 4.04Å; M400-V440 HydrophobicContact CG-CG1 3.83Å; M400-A441 HydrophobicContact CB-CB 3.93Å; M400-F452 HydrophobicContact CE-CD2 3.98Å; M400-F452 HydrophobicContact CE-CE2 3.6Å
401	Q	98.2	Very high	97.6	Very high	34 Å²	34	34.6 Å²	34.6	16%	0.159	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-84.9	139.4	176	-162	176.6	17.9	0	0	110.7	V396 N397 M399 D405 V407 F408	V396-Q401 CarbonylContact C-O 3.52Å; V396-Q401 VanDerWaalsContact CA-O 3.24Å; V396-Q401 WeakPolarHBondContact CA-O 3.31Å; N397-Q401 PolarHBondContact N-O 3Å; N397-Q401 PolarHBondContact OD1-N 3.39Å; M399-Q401 PolarHBondContact O-N 2.99Å; Q401-D405 PolarHBondContact NE2-OD1 3.28Å; Q401-D405 VanDerWaalsContact NE2-OD1 3.16Å; Q401-V407 WeakPolarHBondContact CG-O 3.42Å; Q401-F408 HydrophobicContact CB-CD1 3.85Å; Q401-F408 HydrophobicContact CB-CE1 3.68Å; Q401-F408 HydrophobicContact CB-CZ 4.2Å; Q401-F408 HydrophobicContact CG-CD1 4.24Å; Q401-F408 HydrophobicContact CG-CE1 3.96Å; Q401-F408 HydrophobicContact CG-CE2 4.26Å; Q401-F408 HydrophobicContact CG-CZ 3.97Å
402	T	98.7	Very high	97.7	Very high	13 Å²	13	29 Å²	29	8%	0.08	15%	0.154	C	C	.	.			trans	-76.7	-171.2	174.9	71.1	0	0	0	0	111.5	I386 I394 V396 V404 V407 A409	I386-T402 HydrophobicContact CD1-CG2 4.27Å; I386-T402 WeakPolarHBondContact CD1-OG1 3.09Å; I386-T402 HydrophobicContact CG2-CG2 4.48Å; I394-T402 HydrophobicContact CG2-CG2 3.65Å; V396-T402 HydrophobicContact CG1-CG2 4.25Å; T402-V404 PolarHBondContact O-N 3.32Å; T402-V404 PolarHBondContact OG1-N 3.33Å; T402-V404 VanDerWaalsContact OG1-N 3.13Å; T402-V404 PolarHBondContact OG1-O 3.44Å; T402-V407 WeakPolarHBondContact CB-O 3.41Å; T402-V407 HydrophobicContact CG2-CG1 4Å; T402-V407 WeakPolarHBondContact CG2-O 3.41Å; T402-V407 PolarHBondContact N-O 2.99Å; T402-V407 WeakPolarHBondContact OG1-CB 3.11Å; T402-V407 PolarHBondContact OG1-O 2.99Å; T402-A409 HydrophobicContact CG2-CB 4.19Å
403	N	98.3	Very high	97.8	Very high	68 Å²	68	28 Å²	28	36%	0.364	15%	0.145	S	C	.	.	S	Bend	trans	-69.7	-9.6	170.5	64.9	-62.9	0	0	0	114.1	G385 I386 H387	G385-N403 PolarHBondContact O-ND2 3.47Å; I386-N403 WeakPolarHBondContact CA-OD1 3.17Å; H387-N403 HydrophobicContact CB-CB 4.47Å; H387-N403 PolarHBondContact CD2-ND2 2.94Å; H387-N403 PolarHBondContact N-OD1 3.02Å
404	V	98.3	Very high	97.8	Very high	29 Å²	29	26.8 Å²	26.8	18%	0.176	14%	0.139	C	C	.	.	S	Bend	trans	-106.2	129	-179.4	178.1	0	0	0	0	109.8	V220 I386 T402 G406 V407	V220-V404 HydrophobicContact CB-CG1 4.13Å; V220-V404 HydrophobicContact CG1-CG1 4.15Å; V220-V404 HydrophobicContact CG1-CG2 4.2Å; I386-V404 HydrophobicContact CD1-CB 3.91Å; I386-V404 HydrophobicContact CD1-CG2 3.63Å; T402-V404 PolarHBondContact O-N 3.32Å; T402-V404 PolarHBondContact OG1-N 3.33Å; T402-V404 VanDerWaalsContact OG1-N 3.13Å; T402-V404 PolarHBondContact OG1-O 3.44Å; V404-G406 PolarHBondContact O-N 2.87Å; V404-V407 HydrophobicContact CB-CB 4.18Å; V404-V407 HydrophobicContact CB-CG2 4.09Å; V404-V407 HydrophobicContact CG1-CB 4.38Å; V404-V407 HydrophobicContact CG1-CG2 3.76Å; V404-V407 PolarHBondContact O-N 3.1Å; V404-V407 VanDerWaalsContact O-N 3.12Å
405	D	97.1	Very high	97.7	Very high	98 Å²	98	27.2 Å²	27.2	52%	0.524	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	137.8	177.9	179.3	50.3	0	0	0	111.5	R223 Q401 V407	R223-D405 IonicContact NH2-OD2 2.76Å; Q401-D405 PolarHBondContact NE2-OD1 3.28Å; Q401-D405 VanDerWaalsContact NE2-OD1 3.16Å; D405-V407 PolarHBondContact O-N 3.33Å
406	G	97.1	Very high	97.6	Very high	1 Å²	1	26 Å²	26	1%	0.01	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.6	-0.6	-176.5	0	0	0	0	0	116.4	K237 L238 V404	K237-G406 VanDerWaalsContact CA-O 3.31Å; K237-G406 WeakPolarHBondContact CA-O 3.11Å; K237-G406 VanDerWaalsContact CD-CA 3.43Å; L238-G406 PolarHBondContact N-O 3.06Å; V404-G406 PolarHBondContact O-N 2.87Å
407	V	98.8	Very high	97.5	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.006	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	122.6	175.5	-176.6	0	0	0	0	110.5	Y235 L238 I240 I386 Q401 T402 V404 D405	Y235-V407 HydrophobicContact CE2-CG2 4.21Å; L238-V407 HydrophobicContact CB-CG1 4.37Å; L238-V407 HydrophobicContact CB-CG2 4.32Å; L238-V407 HydrophobicContact CD2-CG1 4.08Å; L238-V407 HydrophobicContact CG-CG1 4.44Å; I240-V407 HydrophobicContact CD1-CG1 3.87Å; I240-V407 HydrophobicContact CG1-CG1 4.46Å; I386-V407 HydrophobicContact CD1-CB 4.32Å; I386-V407 HydrophobicContact CD1-CG1 3.86Å; Q401-V407 WeakPolarHBondContact CG-O 3.42Å; T402-V407 WeakPolarHBondContact CB-O 3.41Å; T402-V407 HydrophobicContact CG2-CG1 4Å; T402-V407 WeakPolarHBondContact CG2-O 3.41Å; T402-V407 PolarHBondContact N-O 2.99Å; T402-V407 WeakPolarHBondContact OG1-CB 3.11Å; T402-V407 PolarHBondContact OG1-O 2.99Å; V404-V407 HydrophobicContact CB-CB 4.18Å; V404-V407 HydrophobicContact CB-CG2 4.09Å; V404-V407 HydrophobicContact CG1-CB 4.38Å; V404-V407 HydrophobicContact CG1-CG2 3.76Å; V404-V407 PolarHBondContact O-N 3.1Å; V404-V407 VanDerWaalsContact O-N 3.12Å; D405-V407 PolarHBondContact O-N 3.33Å
408	F	98.8	Very high	97.3	Very high	2 Å²	2	23.8 Å²	23.8	1%	0.009	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	159.7	-178.8	-64.2	-103.5	0	0	0	109.8	K237 L238 F239 I240 M399 M400 Q401 A441 M445	K237-F408 HydrophobicContact CD-CE2 4.32Å; L238-F408 PolarHBondContact O-N 3.28Å; F239-F408 CarbonylContact C-O 3.47Å; F239-F408 WeakPolarHBondContact CA-O 3.41Å; F239-F408 HydrophobicContact CD2-CB 3.84Å; I240-F408 PolarHBondContact N-O 2.86Å; M399-F408 WeakPolarHBondContact O-CD1 3.5Å; M400-F408 CarbonylContact O-C 3Å; M400-F408 WeakPolarHBondContact O-CA 3.39Å; M400-F408 WeakPolarHBondContact O-CB 3.35Å; Q401-F408 HydrophobicContact CB-CD1 3.85Å; Q401-F408 HydrophobicContact CB-CE1 3.68Å; Q401-F408 HydrophobicContact CB-CZ 4.2Å; Q401-F408 HydrophobicContact CG-CD1 4.24Å; Q401-F408 HydrophobicContact CG-CE1 3.96Å; Q401-F408 HydrophobicContact CG-CE2 4.26Å; Q401-F408 HydrophobicContact CG-CZ 3.97Å; F408-A441 HydrophobicContact CB-CB 4.32Å; F408-A441 HydrophobicContact CD1-CB 4.44Å; F408-M445 HydrophobicContact CB-CE 3.86Å; F408-M445 HydrophobicContact CD1-CG 4.38Å; F408-M445 HydrophobicContact CD2-CE 3.63Å; F408-M445 HydrophobicContact CD2-CG 3.58Å; F408-M445 HydrophobicContact CE1-CG 4.32Å; F408-M445 HydrophobicContact CE2-CB 4.36Å; F408-M445 HydrophobicContact CE2-CE 4.45Å; F408-M445 HydrophobicContact CE2-CG 3.51Å; F408-M445 HydrophobicContact CG-CE 3.91Å; F408-M445 HydrophobicContact CG-CG 4.04Å; F408-M445 HydrophobicContact CZ-CB 4.45Å; F408-M445 HydrophobicContact CZ-CG 3.91Å
409	A	98.8	Very high	97	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	151.4	175	0	0	0	0	0	112.1	I240 I394 V396 M400 T402 V414	I240-A409 HydrophobicContact CB-CB 4.02Å; I240-A409 CarbonylContact O-C 3.57Å; I240-A409 WeakPolarHBondContact O-CA 3.49Å; I240-A409 WeakPolarHBondContact O-CB 3.49Å; I394-A409 HydrophobicContact CB-CB 4.2Å; I394-A409 HydrophobicContact CD1-CB 3.86Å; I394-A409 HydrophobicContact CG2-CB 3.8Å; V396-A409 HydrophobicContact CG1-CB 3.95Å; M400-A409 WeakPolarHBondContact CB-O 3.39Å; M400-A409 PolarHBondContact O-N 2.79Å; T402-A409 HydrophobicContact CG2-CB 4.19Å; A409-V414 HydrophobicContact CB-CG1 3.45Å; A409-V414 VanDerWaalsContact CB-CG1 3.45Å
410	G	98.4	Very high	96.6	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	13%	0.125	C	C	.	.			trans	-163.4	174.9	-177	0	0	0	0	0	114.3	F239 I240 V413	F239-G410 VanDerWaalsContact CE2-N 3.33Å; I240-G410 PolarHBondContact O-N 3.11Å; G410-V413 WeakPolarHBondContact O-CG1 3.35Å
411	G	98.3	Very high	96	Very high	6 Å²	6	23.7 Å²	23.7	6%	0.062	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	74.7	-152.5	-169.8	0	0	0	0	0	113.4	V413 V414 H437	G411-V413 PolarHBondContact O-N 3.17Å; G411-V413 VanDerWaalsContact O-N 3.15Å; G411-V414 WeakPolarHBondContact O-CG2 3.28Å; G411-H437 PolarHBondContact N-ND1 2.63Å
412	D	97.9	Very high	95.5	Very high	42 Å²	42	29.5 Å²	29.5	23%	0.225	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-65.2	-17.7	-172.9	-63.3	-4.1	0	0	0	114.3	S244 F393 V414 N427 P429	S244-D412 PolarHBondContact OG-OD2 2.78Å; F393-D412 WeakPolarHBondContact CE1-O 3.34Å; D412-V414 VanDerWaalsContact C-N 3.29Å; D412-V414 PolarHBondContact O-N 2.86Å; D412-N427 PolarHBondContact O-ND2 2.88Å; D412-P429 HydrophobicContact CB-CB 4.2Å; D412-P429 WeakPolarHBondContact OD1-CA 3.08Å
413	V	98.6	Very high	95.2	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-79.4	-8.9	-170.6	76	0	0	0	0	113.7	G243 P376 T378 F393 I394 G410 G411	G243-V413 WeakPolarHBondContact O-CB 3.46Å; P376-V413 HydrophobicContact CB-CG2 4.12Å; T378-V413 HydrophobicContact CG2-CG2 3.4Å; F393-V413 WeakPolarHBondContact CA-O 3.27Å; I394-V413 HydrophobicContact CD1-CG1 4.03Å; I394-V413 HydrophobicContact CD1-CG2 3.89Å; I394-V413 HydrophobicContact CG1-CG2 4.23Å; I394-V413 PolarHBondContact N-O 3.06Å; G410-V413 WeakPolarHBondContact O-CG1 3.35Å; G411-V413 PolarHBondContact O-N 3.17Å; G411-V413 VanDerWaalsContact O-N 3.15Å
414	V	98.6	Very high	94.9	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	151	-171.1	-57	0	0	0	0	114.5	I394 V396 A409 G411 D412 F416 N427	I394-V414 HydrophobicContact CB-CG1 4.32Å; I394-V414 CarbonylContact O-C 3.56Å; I394-V414 VanDerWaalsContact O-CA 3.27Å; I394-V414 WeakPolarHBondContact O-CA 3.34Å; V396-V414 HydrophobicContact CG1-CB 4.46Å; V396-V414 HydrophobicContact CG1-CG1 4.04Å; V396-V414 HydrophobicContact CG2-CB 4.22Å; V396-V414 HydrophobicContact CG2-CG2 4.48Å; A409-V414 HydrophobicContact CB-CG1 3.45Å; A409-V414 VanDerWaalsContact CB-CG1 3.45Å; G411-V414 WeakPolarHBondContact O-CG2 3.28Å; D412-V414 VanDerWaalsContact C-N 3.29Å; D412-V414 PolarHBondContact O-N 2.86Å; V414-F416 HydrophobicContact CG2-CB 4.41Å; V414-F416 HydrophobicContact CG2-CD1 4.19Å; V414-N427 PolarHBondContact O-ND2 2.86Å
415	T	98	Very high	94.7	Very high	10 Å²	10	38.7 Å²	38.7	6%	0.061	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	123.2	156	-69.4	0	0	0	0	107.7	D389 F393 I394 V396 K425 V426	D389-T415 WeakPolarHBondContact OD2-CB 3.25Å; D389-T415 PolarHBondContact OD2-OG1 2.88Å; F393-T415 VanDerWaalsContact CB-OG1 3.29Å; F393-T415 WeakPolarHBondContact CB-OG1 3.23Å; I394-T415 PolarHBondContact O-N 3.29Å; V396-T415 PolarHBondContact N-O 3.23Å; T415-K425 HydrophobicContact CG2-CB 3.63Å; T415-K425 HydrophobicContact CG2-CD 4.43Å; T415-K425 HydrophobicContact CG2-CG 4.3Å; T415-V426 CarbonylContact C-O 3.56Å; T415-V426 VanDerWaalsContact CA-O 3.31Å; T415-V426 WeakPolarHBondContact CA-O 3.44Å
416	F	96.5	Very high	94.7	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	153.3	-172.1	70.6	-79.8	0	0	0	111.5	V396 M400 V414 F418 K425 V426 I428 M433 H437 F452	V396-F416 HydrophobicContact CG2-CB 3.59Å; M400-F416 HydrophobicContact CE-CB 4.37Å; M400-F416 HydrophobicContact CE-CD2 4.23Å; M400-F416 HydrophobicContact CE-CG 4.46Å; M400-F416 HydrophobicContact SD-CB 4.26Å; V414-F416 HydrophobicContact CG2-CB 4.41Å; V414-F416 HydrophobicContact CG2-CD1 4.19Å; F416-F418 HydrophobicContact CE2-CB 3.94Å; F416-F418 AromaticContact CE2-CD2 3.92Å; F416-F418 HydrophobicContact CE2-CD2 3.92Å; F416-F418 HydrophobicContact CE2-CG 4.33Å; F416-F418 HydrophobicContact CZ-CB 4.43Å; F416-F418 HydrophobicContact CZ-CD2 4.32Å; F416-F418 PolarHBondContact O-N 3.22Å; F416-K425 WeakPolarHBondContact O-CA 3.32Å; F416-V426 HydrophobicContact CD1-CG2 4.49Å; F416-V426 WeakPolarHBondContact CD1-O 3.45Å; F416-V426 HydrophobicContact CE1-CG2 3.93Å; F416-V426 HydrophobicContact CE2-CG2 4.28Å; F416-V426 HydrophobicContact CZ-CG2 3.78Å; F416-V426 PolarHBondContact N-O 3.19Å; F416-V426 PolarHBondContact O-N 2.98Å; F416-I428 HydrophobicContact CE1-CB 4.31Å; F416-I428 HydrophobicContact CE1-CG1 4.15Å; F416-I428 HydrophobicContact CZ-CB 4.45Å; F416-I428 HydrophobicContact CZ-CD1 3.96Å; F416-I428 HydrophobicContact CZ-CG1 4.09Å; F416-M433 HydrophobicContact CE1-CE 4.12Å; F416-M433 HydrophobicContact CE2-CE 3.87Å; F416-M433 HydrophobicContact CZ-CE 3.32Å; F416-H437 AromaticContact CD1-CE1 3.57Å; F416-H437 AromaticContact CD1-NE2 3.63Å; F416-H437 AromaticContact CD2-NE2 3.98Å; F416-H437 AromaticContact CE1-CE1 3.56Å; F416-H437 AromaticContact CE1-NE2 3.51Å; F416-H437 AromaticContact CE2-NE2 3.86Å; F416-H437 AromaticContact CG-NE2 3.88Å; F416-H437 AromaticContact CZ-NE2 3.65Å; F416-F452 HydrophobicContact CD2-CE2 4.46Å; F416-F452 HydrophobicContact CD2-CZ 4.45Å; F416-F452 HydrophobicContact CE2-CE1 4.18Å; F416-F452 HydrophobicContact CE2-CE2 4.24Å; F416-F452 AromaticContact CE2-CZ 3.79Å; F416-F452 HydrophobicContact CE2-CZ 3.79Å; F416-F452 HydrophobicContact CZ-CZ 4.47Å
417	P	94.9	Very high	94.6	Very high	16 Å²	16	36.1 Å²	36.1	10%	0.104	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	123.5	173.8	28.4	-33.7	0	0	0	110.3	V396 K398 P419 N423	V396-P417 VanDerWaalsContact O-CD 3.3Å; V396-P417 WeakPolarHBondContact O-CD 3.31Å; K398-P417 HydrophobicContact CB-CG 4.49Å; K398-P417 HydrophobicContact CG-CB 4.46Å; K398-P417 HydrophobicContact CG-CG 3.75Å; P417-P419 WeakPolarHBondContact O-CD 3.32Å; P417-N423 HydrophobicContact CB-CB 4.16Å
418	F	92.4	Very high	94.4	Very high	5 Å²	5	36.4 Å²	36.4	2%	0.022	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	107.3	-179.9	-177.8	-125.1	0	0	0	110.9	F416 P420 R421 N423 K424 V426 F452 P456 Y472	F416-F418 HydrophobicContact CE2-CB 3.94Å; F416-F418 AromaticContact CE2-CD2 3.92Å; F416-F418 HydrophobicContact CE2-CD2 3.92Å; F416-F418 HydrophobicContact CE2-CG 4.33Å; F416-F418 HydrophobicContact CZ-CB 4.43Å; F416-F418 HydrophobicContact CZ-CD2 4.32Å; F416-F418 PolarHBondContact O-N 3.22Å; F418-P420 HydrophobicContact CD1-CB 4.32Å; F418-P420 HydrophobicContact CD2-CG 4.3Å; F418-P420 HydrophobicContact CE1-CB 3.71Å; F418-P420 HydrophobicContact CE1-CG 3.96Å; F418-P420 HydrophobicContact CE2-CB 4.4Å; F418-P420 HydrophobicContact CE2-CG 3.72Å; F418-P420 HydrophobicContact CZ-CB 3.75Å; F418-P420 HydrophobicContact CZ-CG 3.51Å; F418-R421 HydrophobicContact CD1-CB 3.98Å; F418-R421 HydrophobicContact CD1-CG 3.65Å; F418-R421 HydrophobicContact CE1-CG 3.96Å; F418-R421 CarbonylContact O-C 3.51Å; F418-R421 PolarHBondContact O-N 3.04Å; F418-N423 WeakPolarHBondContact O-CA 3.14Å; F418-N423 PolarHBondContact O-N 2.89Å; F418-N423 VanDerWaalsContact O-N 3.13Å; F418-K424 PolarHBondContact N-O 3.13Å; F418-V426 HydrophobicContact CB-CG2 3.42Å; F418-V426 VanDerWaalsContact CB-CG2 3.42Å; F418-V426 HydrophobicContact CD1-CG2 4.45Å; F418-V426 HydrophobicContact CG-CG2 4.09Å; F418-F452 HydrophobicContact CD2-CD1 4.29Å; F418-F452 AromaticContact CD2-CE1 3.87Å; F418-F452 HydrophobicContact CD2-CE1 3.87Å; F418-F452 HydrophobicContact CE2-CD1 4.44Å; F418-F452 AromaticContact CE2-CE1 3.94Å; F418-F452 HydrophobicContact CE2-CE1 3.94Å; F418-P456 HydrophobicContact CE1-CG 4.49Å; F418-P456 HydrophobicContact CE2-CG 3.99Å; F418-P456 HydrophobicContact CZ-CG 3.66Å; F418-Y472 HydrophobicContact CE1-CG 4.29Å
419	P	88.1	Confident	94.2	Very high	46 Å²	46	39.3 Å²	39.3	30%	0.299	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-56.8	-40.4	-173.1	-27.4	36.8	0	0	0	115.3	P417 R421 N422 F452	P417-P419 WeakPolarHBondContact O-CD 3.32Å; P419-R421 PolarHBondContact O-N 3.47Å; P419-N422 PolarHBondContact O-N 3.43Å; P419-F452 HydrophobicContact CG-CB 4.01Å
420	P	85.7	Confident	94	Very high	78 Å²	78	41.5 Å²	41.5	51%	0.506	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-60.8	-8.4	175.7	-25.3	36.1	0	0	0	115	F418	F418-P420 HydrophobicContact CD1-CB 4.32Å; F418-P420 HydrophobicContact CD2-CG 4.3Å; F418-P420 HydrophobicContact CE1-CB 3.71Å; F418-P420 HydrophobicContact CE1-CG 3.96Å; F418-P420 HydrophobicContact CE2-CB 4.4Å; F418-P420 HydrophobicContact CE2-CG 3.72Å; F418-P420 HydrophobicContact CZ-CB 3.75Å; F418-P420 HydrophobicContact CZ-CG 3.51Å
421	R	85.6	Confident	93.8	Very high	48 Å²	48	43.1 Å²	43.1	18%	0.181	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-119.4	42.2	172.6	-66.6	-62.8	-156.7	150.9	11.1	111.5	F418 P419 N423 K424 Y472 V501	F418-R421 HydrophobicContact CD1-CB 3.98Å; F418-R421 HydrophobicContact CD1-CG 3.65Å; F418-R421 HydrophobicContact CE1-CG 3.96Å; F418-R421 CarbonylContact O-C 3.51Å; F418-R421 PolarHBondContact O-N 3.04Å; P419-R421 PolarHBondContact O-N 3.47Å; R421-N423 PolarHBondContact O-N 3.39Å; R421-K424 HydrophobicContact CB-CB 4.2Å; R421-K424 WeakPolarHBondContact O-CB 3.33Å; R421-K424 PolarHBondContact O-N 3.42Å; R421-Y472 HydrophobicContact CG-CD1 3.91Å; R421-Y472 PolarHBondContact NH2-O 3.45Å; R421-V501 VanDerWaalsContact NH2-CB 3.29Å
422	N	87.4	Confident	93.7	Very high	156 Å²	156	42.9 Å²	42.9	83%	0.834	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.5	40.6	-180	-62.9	-16	0	0	0	112.7	P419 K424	P419-N422 PolarHBondContact O-N 3.43Å; N422-K424 PolarHBondContact O-N 3.27Å; N422-K424 VanDerWaalsContact O-N 3.17Å
423	N	91.1	Very high	93.7	Very high	64 Å²	64	40.9 Å²	40.9	34%	0.342	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	20.7	-176.3	-57	-66.9	0	0	0	114.7	K398 P417 F418 R421 K425	K398-N423 WeakPolarHBondContact CE-OD1 3.39Å; K398-N423 PolarHBondContact NZ-OD1 3.37Å; P417-N423 HydrophobicContact CB-CB 4.16Å; F418-N423 WeakPolarHBondContact O-CA 3.14Å; F418-N423 PolarHBondContact O-N 2.89Å; F418-N423 VanDerWaalsContact O-N 3.13Å; R421-N423 PolarHBondContact O-N 3.39Å; N423-K425 PolarHBondContact O-N 2.84Å
424	K	92.8	Very high	93.6	Very high	115 Å²	115	41.1 Å²	41.1	50%	0.5	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.4	135.3	170.7	-176.7	177.8	177.3	-175.3	0	109.2	F418 R421 N422 V426	F418-K424 PolarHBondContact N-O 3.13Å; R421-K424 HydrophobicContact CB-CB 4.2Å; R421-K424 WeakPolarHBondContact O-CB 3.33Å; R421-K424 PolarHBondContact O-N 3.42Å; N422-K424 PolarHBondContact O-N 3.27Å; N422-K424 VanDerWaalsContact O-N 3.17Å; K424-V426 HydrophobicContact CG-CG1 4.36Å; K424-V426 PolarHBondContact O-N 2.61Å
425	K	94.7	Very high	93.6	Very high	125 Å²	125	41.2 Å²	41.2	54%	0.543	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	120.7	172.8	-79.7	-172.5	-176.9	-177.8	0	109.9	T415 F416 N423	T415-K425 HydrophobicContact CG2-CB 3.63Å; T415-K425 HydrophobicContact CG2-CD 4.43Å; T415-K425 HydrophobicContact CG2-CG 4.3Å; F416-K425 WeakPolarHBondContact O-CA 3.32Å; N423-K425 PolarHBondContact O-N 2.84Å
426	V	95.6	Very high	93.5	Very high	5 Å²	5	41.3 Å²	41.3	3%	0.03	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	162.6	-178.5	-59.7	0	0	0	0	110.7	T415 F416 F418 K424 I428 Y472	T415-V426 CarbonylContact C-O 3.56Å; T415-V426 VanDerWaalsContact CA-O 3.31Å; T415-V426 WeakPolarHBondContact CA-O 3.44Å; F416-V426 HydrophobicContact CD1-CG2 4.49Å; F416-V426 WeakPolarHBondContact CD1-O 3.45Å; F416-V426 HydrophobicContact CE1-CG2 3.93Å; F416-V426 HydrophobicContact CE2-CG2 4.28Å; F416-V426 HydrophobicContact CZ-CG2 3.78Å; F416-V426 PolarHBondContact N-O 3.19Å; F416-V426 PolarHBondContact O-N 2.98Å; F418-V426 HydrophobicContact CB-CG2 3.42Å; F418-V426 VanDerWaalsContact CB-CG2 3.42Å; F418-V426 HydrophobicContact CD1-CG2 4.45Å; F418-V426 HydrophobicContact CG-CG2 4.09Å; K424-V426 HydrophobicContact CG-CG1 4.36Å; K424-V426 PolarHBondContact O-N 2.61Å; V426-I428 HydrophobicContact CB-CG1 4.48Å; V426-I428 HydrophobicContact CG2-CD1 4Å; V426-I428 HydrophobicContact CG2-CG1 3.94Å; V426-Y472 HydrophobicContact CB-CE1 4.47Å; V426-Y472 HydrophobicContact CB-CE2 4.31Å; V426-Y472 HydrophobicContact CG1-CE1 3.75Å; V426-Y472 HydrophobicContact CG1-CE2 4.45Å
427	N	95.9	Very high	93.6	Very high	40 Å²	40	41.4 Å²	41.4	21%	0.214	21%	0.214	C	C	.	.			trans	-121.7	127.3	167	172.6	-103.6	0	0	0	107.7	F393 D412 V414	F393-N427 WeakPolarHBondContact CD1-ND2 3.27Å; F393-N427 HydrophobicContact CE1-CB 4.33Å; F393-N427 VanDerWaalsContact CE1-CG 3.44Å; F393-N427 VanDerWaalsContact CE1-ND2 3.31Å; F393-N427 WeakPolarHBondContact CE1-ND2 3.45Å; F393-N427 HydrophobicContact CZ-CB 4.37Å; D412-N427 PolarHBondContact O-ND2 2.88Å; V414-N427 PolarHBondContact O-ND2 2.86Å
428	I	95.3	Very high	93.7	Very high	6 Å²	6	40.6 Å²	40.6	3%	0.031	21%	0.209	C	C	.	.			trans	-130.4	88.1	-177.6	-52.8	-175.6	0	0	0	107.6	F416 V426 H430 M433 P456 Y472	F416-I428 HydrophobicContact CE1-CB 4.31Å; F416-I428 HydrophobicContact CE1-CG1 4.15Å; F416-I428 HydrophobicContact CZ-CB 4.45Å; F416-I428 HydrophobicContact CZ-CD1 3.96Å; F416-I428 HydrophobicContact CZ-CG1 4.09Å; V426-I428 HydrophobicContact CB-CG1 4.48Å; V426-I428 HydrophobicContact CG2-CD1 4Å; V426-I428 HydrophobicContact CG2-CG1 3.94Å; I428-H430 HydrophobicContact CG2-CB 4.26Å; I428-H430 WeakPolarHBondContact CG2-CD2 3.4Å; I428-H430 PolarHBondContact O-N 3.44Å; I428-M433 HydrophobicContact CB-CE 4.46Å; I428-M433 HydrophobicContact CB-CG 4.17Å; I428-M433 HydrophobicContact CD1-CE 4.28Å; I428-M433 HydrophobicContact CG2-CG 3.74Å; I428-P456 HydrophobicContact CD1-CB 4.47Å; I428-P456 HydrophobicContact CD1-CG 3.79Å; I428-P456 HydrophobicContact CG2-CB 4.28Å; I428-Y472 HydrophobicContact CD1-CD2 3.48Å; I428-Y472 VanDerWaalsContact CD1-CD2 3.48Å; I428-Y472 HydrophobicContact CD1-CE2 3.92Å; I428-Y472 HydrophobicContact CD1-CG 4.21Å; I428-Y472 HydrophobicContact CG1-CD2 3.78Å; I428-Y472 HydrophobicContact CG1-CE2 3.72Å
429	P	93.6	Very high	94	Very high	63 Å²	63	44.6 Å²	44.6	41%	0.409	22%	0.224	S	C	.	.			trans	-78.4	71.5	-174.6	32.9	-34.8	0	0	0	110.6	D412	D412-P429 HydrophobicContact CB-CB 4.2Å; D412-P429 WeakPolarHBondContact OD1-CA 3.08Å
430	H	94	Very high	94.4	Very high	46 Å²	46	42.7 Å²	42.7	21%	0.213	21%	0.211	C	C	.	.			trans	-124.1	143.2	-178.3	-71	-37.7	0	0	0	111.3	I428 Q432 M433 A434 F458	I428-H430 HydrophobicContact CG2-CB 4.26Å; I428-H430 WeakPolarHBondContact CG2-CD2 3.4Å; I428-H430 PolarHBondContact O-N 3.44Å; H430-Q432 VanDerWaalsContact C-N 3.31Å; H430-Q432 PolarHBondContact O-N 3.46Å; H430-M433 HydrophobicContact CB-CB 4.24Å; H430-M433 HydrophobicContact CB-CG 4.03Å; H430-M433 WeakPolarHBondContact O-CB 3.39Å; H430-M433 PolarHBondContact O-N 2.83Å; H430-M433 VanDerWaalsContact O-N 3.15Å; H430-A434 PolarHBondContact O-N 3.14Å; H430-F458 AromaticContact CE1-CD1 3.43Å; H430-F458 VanDerWaalsContact CE1-CD1 3.43Å; H430-F458 WeakPolarHBondContact CE1-CD1 3.34Å; H430-F458 AromaticContact CE1-CE1 3.94Å; H430-F458 AromaticContact CE1-CG 3.75Å; H430-F458 AromaticContact NE2-CD1 3.4Å; H430-F458 WeakPolarHBondContact NE2-CD1 3.42Å; H430-F458 AromaticContact NE2-CE1 3.92Å
431	W	95.4	Very high	95	Very high	34 Å²	34	39 Å²	39	13%	0.129	19%	0.187	C	C	.	.	H	α-helix	trans	-53	-48.3	179.8	-173.4	-108.1	0	0	0	112.2	P149 R180 P181 L196 A434 H435	P149-W431 HydrophobicContact CB-CD2 4.25Å; P149-W431 HydrophobicContact CB-CE3 4.23Å; P149-W431 HydrophobicContact CB-CH2 4.01Å; P149-W431 HydrophobicContact CB-CZ2 4.03Å; P149-W431 HydrophobicContact CB-CZ3 4.12Å; P149-W431 HydrophobicContact CG-CD2 3.98Å; P149-W431 HydrophobicContact CG-CE3 3.54Å; P149-W431 HydrophobicContact CG-CH2 3.9Å; P149-W431 HydrophobicContact CG-CZ2 4.31Å; P149-W431 HydrophobicContact CG-CZ3 3.5Å; R180-W431 HydrophobicContact CB-CZ3 3.89Å; R180-W431 HydrophobicContact CG-CZ3 4.35Å; P181-W431 VanDerWaalsContact CD-CZ3 3.45Å; P181-W431 HydrophobicContact CG-CB 4.12Å; P181-W431 HydrophobicContact CG-CD2 3.55Å; P181-W431 HydrophobicContact CG-CE3 3.62Å; P181-W431 HydrophobicContact CG-CG 3.79Å; P181-W431 HydrophobicContact CG-CZ3 4.24Å; L196-W431 HydrophobicContact CD1-CH2 4.03Å; L196-W431 HydrophobicContact CD1-CZ2 3.98Å; L196-W431 HydrophobicContact CD2-CZ2 4.26Å; W431-A434 WeakPolarHBondContact O-CB 3.46Å; W431-A434 PolarHBondContact O-N 3.13Å; W431-H435 AromaticContact CD1-CE1 3.55Å; W431-H435 AromaticContact CE2-CE1 3.56Å; W431-H435 AromaticContact NE1-CE1 3.25Å; W431-H435 PolarHBondContact NE1-CE1 3.03Å; W431-H435 VanDerWaalsContact NE1-CE1 3.25Å; W431-H435 AromaticContact NE1-NE2 4Å; W431-H435 PolarHBondContact O-N 2.86Å; W431-H435 PolarHBondContact O-ND1 2.95Å
432	Q	96.3	Very high	95.6	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-61.5	-45.8	178.5	179.1	-95	-28.3	0	0	112	D89 F90 P91 H430 A434 H435 V436 T454	D89-Q432 PolarHBondContact OD1-NE2 2.8Å; F90-Q432 HydrophobicContact CB-CG 3.89Å; F90-Q432 WeakPolarHBondContact O-CG 3.38Å; P91-Q432 HydrophobicContact CB-CB 4.44Å; H430-Q432 VanDerWaalsContact C-N 3.31Å; H430-Q432 PolarHBondContact O-N 3.46Å; Q432-A434 VanDerWaalsContact C-N 3.31Å; Q432-A434 PolarHBondContact O-N 3.36Å; Q432-H435 WeakPolarHBondContact O-CB 3.46Å; Q432-H435 PolarHBondContact O-N 2.84Å; Q432-H435 VanDerWaalsContact O-N 3.16Å; Q432-V436 WeakPolarHBondContact O-CG2 3.44Å; Q432-V436 PolarHBondContact O-N 3.16Å; Q432-T454 PolarHBondContact NE2-OG1 2.79Å
433	M	96.4	Very high	96.1	Very high	1 Å²	1	30 Å²	30	1%	0.005	14%	0.143	C	C	.	.	H	α-helix	trans	-62	-36.6	177	-67.9	-62	-59.8	0	0	113.1	F416 I428 H430 H435 V436 H437 F452 T454 P456	F416-M433 HydrophobicContact CE1-CE 4.12Å; F416-M433 HydrophobicContact CE2-CE 3.87Å; F416-M433 HydrophobicContact CZ-CE 3.32Å; I428-M433 HydrophobicContact CB-CE 4.46Å; I428-M433 HydrophobicContact CB-CG 4.17Å; I428-M433 HydrophobicContact CD1-CE 4.28Å; I428-M433 HydrophobicContact CG2-CG 3.74Å; H430-M433 HydrophobicContact CB-CB 4.24Å; H430-M433 HydrophobicContact CB-CG 4.03Å; H430-M433 WeakPolarHBondContact O-CB 3.39Å; H430-M433 PolarHBondContact O-N 2.83Å; H430-M433 VanDerWaalsContact O-N 3.15Å; M433-H435 VanDerWaalsContact C-N 3.33Å; M433-H435 PolarHBondContact O-N 2.87Å; M433-V436 WeakPolarHBondContact O-CB 3.19Å; M433-V436 PolarHBondContact O-N 2.9Å; M433-H437 PolarHBondContact O-CD2 3.23Å; M433-H437 VanDerWaalsContact O-CD2 3.25Å; M433-H437 PolarHBondContact O-N 3.06Å; M433-F452 HydrophobicContact CE-CE1 3.96Å; M433-F452 HydrophobicContact CE-CZ 3.44Å; M433-F452 VanDerWaalsContact CE-CZ 3.44Å; M433-F452 HydrophobicContact SD-CZ 4.41Å; M433-T454 HydrophobicContact SD-CG2 4.23Å; M433-P456 HydrophobicContact CG-CB 4.35Å; M433-P456 HydrophobicContact SD-CB 4.07Å; M433-P456 HydrophobicContact SD-CG 3.98Å
434	A	97.8	Very high	96.4	Very high	5 Å²	5	27.4 Å²	27.4	4%	0.041	13%	0.131	C	C	.	.	H	α-helix	trans	-61.9	-40.1	175.8	0	0	0	0	0	112.3	P149 A150 H430 W431 Q432 H437 G438	P149-A434 HydrophobicContact CB-CB 4.33Å; P149-A434 HydrophobicContact CG-CB 3.63Å; A150-A434 WeakPolarHBondContact CA-O 3.49Å; A150-A434 HydrophobicContact CB-CB 4.15Å; A150-A434 VanDerWaalsContact CB-O 3.22Å; A150-A434 WeakPolarHBondContact CB-O 3.44Å; H430-A434 PolarHBondContact O-N 3.14Å; W431-A434 WeakPolarHBondContact O-CB 3.46Å; W431-A434 PolarHBondContact O-N 3.13Å; Q432-A434 VanDerWaalsContact C-N 3.31Å; Q432-A434 PolarHBondContact O-N 3.36Å; A434-H437 PolarHBondContact O-N 3.34Å; A434-G438 PolarHBondContact O-N 2.82Å
435	H	97.5	Very high	96.6	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.009	11%	0.112	C	C	.	.	H	α-helix	trans	-61.5	-46.2	173.6	-66.9	70.3	0	0	0	111.2	F90 G92 P149 V153 W431 Q432 M433 H437 G438 R439	F90-H435 HydrophobicContact CB-CB 3.7Å; F90-H435 HydrophobicContact CD1-CB 3.33Å; F90-H435 AromaticContact CD1-CD2 3.63Å; F90-H435 AromaticContact CD1-CG 3.7Å; F90-H435 HydrophobicContact CD2-CB 3.62Å; F90-H435 HydrophobicContact CE1-CB 3.73Å; F90-H435 HydrophobicContact CE2-CB 3.97Å; F90-H435 HydrophobicContact CG-CB 3.25Å; F90-H435 AromaticContact CG-CG 3.96Å; F90-H435 HydrophobicContact CZ-CB 4.02Å; G92-H435 PolarHBondContact O-CD2 2.98Å; P149-H435 WeakPolarHBondContact CB-CE1 3.46Å; P149-H435 WeakPolarHBondContact CB-ND1 3.45Å; V153-H435 WeakPolarHBondContact CG1-O 3.31Å; V153-H435 HydrophobicContact CG2-CB 3.88Å; V153-H435 WeakPolarHBondContact CG2-CD2 3.22Å; W431-H435 AromaticContact CD1-CE1 3.55Å; W431-H435 AromaticContact CE2-CE1 3.56Å; W431-H435 AromaticContact NE1-CE1 3.25Å; W431-H435 PolarHBondContact NE1-CE1 3.03Å; W431-H435 VanDerWaalsContact NE1-CE1 3.25Å; W431-H435 AromaticContact NE1-NE2 4Å; W431-H435 PolarHBondContact O-N 2.86Å; W431-H435 PolarHBondContact O-ND1 2.95Å; Q432-H435 WeakPolarHBondContact O-CB 3.46Å; Q432-H435 PolarHBondContact O-N 2.84Å; Q432-H435 VanDerWaalsContact O-N 3.16Å; M433-H435 VanDerWaalsContact C-N 3.33Å; M433-H435 PolarHBondContact O-N 2.87Å; H435-H437 VanDerWaalsContact C-N 3.32Å; H435-H437 PolarHBondContact O-N 2.94Å; H435-G438 PolarHBondContact O-N 2.68Å; H435-G438 VanDerWaalsContact O-N 3.15Å; H435-R439 PolarHBondContact O-N 3.28Å
436	V	96.8	Very high	96.7	Very high	12 Å²	12	19.1 Å²	19.1	7%	0.073	10%	0.097	C	C	.	.	H	α-helix	trans	-57.7	-46.6	177.7	-179.8	0	0	0	0	110.5	F90 Q432 M433 G438 R439 V440 F452 T454	F90-V436 HydrophobicContact CD2-CB 4.43Å; F90-V436 HydrophobicContact CD2-CG2 3.63Å; F90-V436 HydrophobicContact CE2-CG2 4.32Å; Q432-V436 WeakPolarHBondContact O-CG2 3.44Å; Q432-V436 PolarHBondContact O-N 3.16Å; M433-V436 WeakPolarHBondContact O-CB 3.19Å; M433-V436 PolarHBondContact O-N 2.9Å; V436-G438 VanDerWaalsContact C-N 3.32Å; V436-G438 PolarHBondContact O-N 3.05Å; V436-R439 PolarHBondContact O-N 3.35Å; V436-V440 HydrophobicContact CG1-CG2 4.28Å; V436-V440 WeakPolarHBondContact O-CG2 3.38Å; V436-V440 PolarHBondContact O-N 2.94Å; V436-F452 HydrophobicContact CB-CZ 4.47Å; V436-F452 HydrophobicContact CG1-CD2 4.06Å; V436-F452 HydrophobicContact CG1-CE1 4.44Å; V436-F452 HydrophobicContact CG1-CE2 3.43Å; V436-F452 VanDerWaalsContact CG1-CE2 3.43Å; V436-F452 HydrophobicContact CG1-CZ 3.63Å; V436-T454 HydrophobicContact CG1-CG2 4.02Å; V436-T454 HydrophobicContact CG2-CG2 4.02Å
437	H	98	Very high	96.7	Very high	1 Å²	1	22 Å²	22	1%	0.005	13%	0.128	C	C	.	.	H	α-helix	trans	-59.9	-42.8	177.6	-63.4	174.1	0	0	0	111.6	M400 G411 F416 M433 A434 H435 V440 A441	M400-H437 VanDerWaalsContact CE-CD2 3.47Å; M400-H437 WeakPolarHBondContact CE-CD2 3.46Å; M400-H437 HydrophobicContact SD-CB 4.34Å; G411-H437 PolarHBondContact N-ND1 2.63Å; F416-H437 AromaticContact CD1-CE1 3.57Å; F416-H437 AromaticContact CD1-NE2 3.63Å; F416-H437 AromaticContact CD2-NE2 3.98Å; F416-H437 AromaticContact CE1-CE1 3.56Å; F416-H437 AromaticContact CE1-NE2 3.51Å; F416-H437 AromaticContact CE2-NE2 3.86Å; F416-H437 AromaticContact CG-NE2 3.88Å; F416-H437 AromaticContact CZ-NE2 3.65Å; M433-H437 PolarHBondContact O-CD2 3.23Å; M433-H437 VanDerWaalsContact O-CD2 3.25Å; M433-H437 PolarHBondContact O-N 3.06Å; A434-H437 PolarHBondContact O-N 3.34Å; H435-H437 VanDerWaalsContact C-N 3.32Å; H435-H437 PolarHBondContact O-N 2.94Å; H437-V440 PolarHBondContact O-N 2.83Å; H437-A441 VanDerWaalsContact O-CB 3.24Å; H437-A441 WeakPolarHBondContact O-CB 3.4Å; H437-A441 PolarHBondContact O-N 2.77Å
438	G	98.1	Very high	96.5	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-59.2	-48.6	175.7	0	0	0	0	0	113	A150 C154 A434 H435 V436 A441 A442	A150-G438 VanDerWaalsContact O-CA 3.25Å; A150-G438 WeakPolarHBondContact O-CA 3.43Å; C154-G438 WeakPolarHBondContact CA-O 3.42Å; A434-G438 PolarHBondContact O-N 2.82Å; H435-G438 PolarHBondContact O-N 2.68Å; H435-G438 VanDerWaalsContact O-N 3.15Å; V436-G438 VanDerWaalsContact C-N 3.32Å; V436-G438 PolarHBondContact O-N 3.05Å; G438-A441 PolarHBondContact O-N 3.47Å; G438-A442 PolarHBondContact O-N 3.42Å
439	R	97.7	Very high	96.1	Very high	88 Å²	88	31.4 Å²	31.4	33%	0.332	17%	0.174	S	C	.	.	H	α-helix	trans	-61.8	-46.3	178.3	-177.3	-178.6	174.1	-161.5	-0.7	111.7	E88 F90 V153 T157 H435 V436 A442 L443	E88-R439 PolarHBondContact O-NH1 3.42Å; F90-R439 HydrophobicContact CE2-CB 4.16Å; F90-R439 HydrophobicContact CZ-CB 4.21Å; V153-R439 HydrophobicContact CG1-CB 3.88Å; T157-R439 HydrophobicContact CG2-CG 4.06Å; H435-R439 PolarHBondContact O-N 3.28Å; V436-R439 PolarHBondContact O-N 3.35Å; R439-A442 PolarHBondContact O-N 2.87Å; R439-L443 HydrophobicContact CG-CD1 4.33Å; R439-L443 WeakPolarHBondContact O-CG 3.07Å; R439-L443 PolarHBondContact O-N 2.87Å; R439-L443 VanDerWaalsContact O-N 3.14Å
440	V	97.4	Very high	95.6	Very high	6 Å²	6	29.9 Å²	29.9	4%	0.036	16%	0.164	C	C	.	.	H	α-helix	trans	-66.9	-40.4	-179.3	175	0	0	0	0	111.1	K398 M400 V436 H437 L443 G444 F452	K398-V440 WeakPolarHBondContact O-CG1 3.28Å; M400-V440 HydrophobicContact CE-CG1 4.41Å; M400-V440 HydrophobicContact CG-CB 4.04Å; M400-V440 HydrophobicContact CG-CG1 3.83Å; V436-V440 HydrophobicContact CG1-CG2 4.28Å; V436-V440 WeakPolarHBondContact O-CG2 3.38Å; V436-V440 PolarHBondContact O-N 2.94Å; H437-V440 PolarHBondContact O-N 2.83Å; V440-L443 PolarHBondContact O-N 2.84Å; V440-G444 PolarHBondContact O-N 2.81Å; V440-F452 HydrophobicContact CG2-CD2 4.41Å
441	A	98.1	Very high	94.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-62	-44.7	176.1	0	0	0	0	0	111.8	F239 M400 F408 H437 G438 L443 G444 M445	F239-A441 HydrophobicContact CD2-CB 3.73Å; F239-A441 HydrophobicContact CE2-CB 3.34Å; F239-A441 HydrophobicContact CZ-CB 3.93Å; M400-A441 HydrophobicContact CB-CB 3.93Å; F408-A441 HydrophobicContact CB-CB 4.32Å; F408-A441 HydrophobicContact CD1-CB 4.44Å; H437-A441 VanDerWaalsContact O-CB 3.24Å; H437-A441 WeakPolarHBondContact O-CB 3.4Å; H437-A441 PolarHBondContact O-N 2.77Å; G438-A441 PolarHBondContact O-N 3.47Å; A441-L443 PolarHBondContact O-N 2.96Å; A441-G444 PolarHBondContact O-N 2.82Å; A441-M445 WeakPolarHBondContact O-CG 3.46Å; A441-M445 PolarHBondContact O-N 3.07Å
442	A	98.3	Very high	94	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-58.1	-48	176.1	0	0	0	0	0	112.2	C154 T157 L158 G438 R439 G444 M445 M446	C154-A442 WeakPolarHBondContact O-CB 3.4Å; T157-A442 HydrophobicContact CG2-CB 3.63Å; L158-A442 HydrophobicContact CD2-CB 4.14Å; L158-A442 HydrophobicContact CG-CB 3.86Å; G438-A442 PolarHBondContact O-N 3.42Å; R439-A442 PolarHBondContact O-N 2.87Å; A442-G444 VanDerWaalsContact C-N 3.34Å; A442-G444 PolarHBondContact O-N 3.04Å; A442-M445 WeakPolarHBondContact O-CB 3.48Å; A442-M445 PolarHBondContact O-N 2.98Å; A442-M446 PolarHBondContact O-N 3.25Å
443	L	97.4	Very high	93.3	Very high	16 Å²	16	40.9 Å²	40.9	8%	0.084	22%	0.215	C	C	.	.	H	α-helix	trans	-61	-43	175.7	-67	171.7	0	0	0	111.6	T157 E161 R439 V440 A441 M445 M446 G447 R448	T157-L443 HydrophobicContact CG2-CG 4.38Å; E161-L443 HydrophobicContact CG-CD2 3.98Å; R439-L443 HydrophobicContact CG-CD1 4.33Å; R439-L443 WeakPolarHBondContact O-CG 3.07Å; R439-L443 PolarHBondContact O-N 2.87Å; R439-L443 VanDerWaalsContact O-N 3.14Å; V440-L443 PolarHBondContact O-N 2.84Å; A441-L443 PolarHBondContact O-N 2.96Å; L443-M445 PolarHBondContact O-N 3.09Å; L443-M446 HydrophobicContact CD2-CE 3.85Å; L443-M446 CarbonylContact O-C 3.5Å; L443-M446 PolarHBondContact O-N 3.3Å; L443-M446 VanDerWaalsContact O-N 3.15Å; L443-G447 PolarHBondContact O-N 3.23Å; L443-R448 CarbonylContact C-O 3.51Å; L443-R448 HydrophobicContact CB-CB 4.35Å; L443-R448 PolarHBondContact O-N 3.38Å
444	G	97.1	Very high	93	Very high	9 Å²	9	41.3 Å²	41.3	9%	0.093	22%	0.218	C	C	.	.	H	α-helix	trans	-61.9	-38	175.5	0	0	0	0	0	113.4	V440 A441 A442 M446 G447	V440-G444 PolarHBondContact O-N 2.81Å; A441-G444 PolarHBondContact O-N 2.82Å; A442-G444 VanDerWaalsContact C-N 3.34Å; A442-G444 PolarHBondContact O-N 3.04Å; G444-M446 PolarHBondContact O-N 2.71Å; G444-G447 PolarHBondContact O-N 2.77Å
445	M	97.8	Very high	92.9	Very high	19 Å²	19	41.6 Å²	41.6	9%	0.094	22%	0.218	C	C	.	.	H	α-helix	trans	-62.4	-30.5	175.1	-74.7	-178.4	174.6	0	0	112.9	V142 L158 K237 L238 F239 F408 A441 A442 L443 G447	V142-M445 HydrophobicContact CG1-CE 4.28Å; V142-M445 HydrophobicContact CG1-SD 3.86Å; V142-M445 HydrophobicContact CG2-SD 4.48Å; L158-M445 HydrophobicContact CD1-SD 4.43Å; L158-M445 HydrophobicContact CD2-CB 4.41Å; K237-M445 HydrophobicContact CB-CE 4.36Å; K237-M445 HydrophobicContact CB-SD 4.29Å; L238-M445 WeakPolarHBondContact O-CE 3.47Å; F239-M445 HydrophobicContact CB-CE 3.56Å; F239-M445 HydrophobicContact CG-CE 4.35Å; F408-M445 HydrophobicContact CB-CE 3.86Å; F408-M445 HydrophobicContact CD1-CG 4.38Å; F408-M445 HydrophobicContact CD2-CE 3.63Å; F408-M445 HydrophobicContact CD2-CG 3.58Å; F408-M445 HydrophobicContact CE1-CG 4.32Å; F408-M445 HydrophobicContact CE2-CB 4.36Å; F408-M445 HydrophobicContact CE2-CE 4.45Å; F408-M445 HydrophobicContact CE2-CG 3.51Å; F408-M445 HydrophobicContact CG-CE 3.91Å; F408-M445 HydrophobicContact CG-CG 4.04Å; F408-M445 HydrophobicContact CZ-CB 4.45Å; F408-M445 HydrophobicContact CZ-CG 3.91Å; A441-M445 WeakPolarHBondContact O-CG 3.46Å; A441-M445 PolarHBondContact O-N 3.07Å; A442-M445 WeakPolarHBondContact O-CB 3.48Å; A442-M445 PolarHBondContact O-N 2.98Å; L443-M445 PolarHBondContact O-N 3.09Å; M445-G447 VanDerWaalsContact C-N 3.3Å
446	M	96.3	Very high	92.8	Very high	48 Å²	48	41.6 Å²	41.6	24%	0.236	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	8.8	174.9	-61.5	-179.5	-61	0	0	113.1	L158 E161 F163 A442 L443 G444 R448	L158-M446 HydrophobicContact CD2-CG 4.06Å; L158-M446 HydrophobicContact CD2-SD 4.24Å; E161-M446 HydrophobicContact CB-CE 3.37Å; E161-M446 HydrophobicContact CB-SD 3.75Å; E161-M446 HydrophobicContact CG-CE 3.82Å; F163-M446 HydrophobicContact CB-SD 4.43Å; A442-M446 PolarHBondContact O-N 3.25Å; L443-M446 HydrophobicContact CD2-CE 3.85Å; L443-M446 CarbonylContact O-C 3.5Å; L443-M446 PolarHBondContact O-N 3.3Å; L443-M446 VanDerWaalsContact O-N 3.15Å; G444-M446 PolarHBondContact O-N 2.71Å; M446-R448 VanDerWaalsContact C-N 3.26Å; M446-R448 HydrophobicContact CB-CG 4.47Å; M446-R448 PolarHBondContact O-N 2.79Å
447	G	94.6	Very high	92.8	Very high	65 Å²	65	41 Å²	41	67%	0.67	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.9	15.9	179.9	0	0	0	0	0	114.4	L443 G444 M445	L443-G447 PolarHBondContact O-N 3.23Å; G444-G447 PolarHBondContact O-N 2.77Å; M445-G447 VanDerWaalsContact C-N 3.3Å
448	R	93.6	Very high	92.5	Very high	115 Å²	115	41.9 Å²	41.9	43%	0.434	22%	0.219	S	C	.	.			trans	-96	131.5	179.1	-61	-176.6	-174	170.7	7.4	110.4	E161 L443 M446	E161-R448 IonicContact OE2-CZ 2.89Å; E161-R448 IonicContact OE2-NH1 3.73Å; E161-R448 PolarHBondContact OE2-NH1 3.13Å; L443-R448 CarbonylContact C-O 3.51Å; L443-R448 HydrophobicContact CB-CB 4.35Å; L443-R448 PolarHBondContact O-N 3.38Å; M446-R448 VanDerWaalsContact C-N 3.26Å; M446-R448 HydrophobicContact CB-CG 4.47Å; M446-R448 PolarHBondContact O-N 2.79Å
449	V	86.7	Confident	92.4	Very high	129 Å²	129	43 Å²	43	78%	0.782	22%	0.223	S	C	*	.			trans	-80.3	128.1	173.4	-177.8	0	0	0	0	108.8	M399	M399-V449 HydrophobicContact SD-CG2 4.25Å
450	S	82.5	Confident	92.3	Very high	30 Å²	30	38.9 Å²	38.9	21%	0.21	21%	0.208	C	C	.	.			trans	-116.4	135.3	173.1	-170.5	0	0	0	0	109.9
451	E	76.1	Confident	92.2	Very high	138 Å²	138	40.1 Å²	40.1	65%	0.645	22%	0.219	S	C	*	.			trans	-81.1	131.4	174.2	-161.6	-178.9	160.3	0	0	110	K453	E451-K453 VanDerWaalsContact C-N 3.32Å; E451-K453 HydrophobicContact CB-CG 4.29Å; E451-K453 HydrophobicContact CG-CG 4.16Å; E451-K453 PolarHBondContact O-N 3.42Å; E451-K453 WeakPolarHBondContact OE1-CE 3.36Å; E451-K453 WeakPolarHBondContact OE2-CE 3.29Å; E451-K453 IonicContact OE2-NZ 3.24Å; E451-K453 PolarHBondContact OE2-NZ 3.03Å
452	F	79.8	Confident	92.1	Very high	24 Å²	24	40.5 Å²	40.5	11%	0.105	22%	0.22	C	C	.	.			trans	-76.6	81.6	179.8	-159.9	-84.4	0	0	0	110.6	M400 F416 F418 P419 M433 V436 V440 T454	M400-F452 HydrophobicContact CE-CD2 3.98Å; M400-F452 HydrophobicContact CE-CE2 3.6Å; F416-F452 HydrophobicContact CD2-CE2 4.46Å; F416-F452 HydrophobicContact CD2-CZ 4.45Å; F416-F452 HydrophobicContact CE2-CE1 4.18Å; F416-F452 HydrophobicContact CE2-CE2 4.24Å; F416-F452 AromaticContact CE2-CZ 3.79Å; F416-F452 HydrophobicContact CE2-CZ 3.79Å; F416-F452 HydrophobicContact CZ-CZ 4.47Å; F418-F452 HydrophobicContact CD2-CD1 4.29Å; F418-F452 AromaticContact CD2-CE1 3.87Å; F418-F452 HydrophobicContact CD2-CE1 3.87Å; F418-F452 HydrophobicContact CE2-CD1 4.44Å; F418-F452 AromaticContact CE2-CE1 3.94Å; F418-F452 HydrophobicContact CE2-CE1 3.94Å; P419-F452 HydrophobicContact CG-CB 4.01Å; M433-F452 HydrophobicContact CE-CE1 3.96Å; M433-F452 HydrophobicContact CE-CZ 3.44Å; M433-F452 VanDerWaalsContact CE-CZ 3.44Å; M433-F452 HydrophobicContact SD-CZ 4.41Å; V436-F452 HydrophobicContact CB-CZ 4.47Å; V436-F452 HydrophobicContact CG1-CD2 4.06Å; V436-F452 HydrophobicContact CG1-CE1 4.44Å; V436-F452 HydrophobicContact CG1-CE2 3.43Å; V436-F452 VanDerWaalsContact CG1-CE2 3.43Å; V436-F452 HydrophobicContact CG1-CZ 3.63Å; V440-F452 HydrophobicContact CG2-CD2 4.41Å; F452-T454 HydrophobicContact CD1-CG2 3.74Å; F452-T454 HydrophobicContact CE1-CG2 3.17Å; F452-T454 HydrophobicContact CZ-CG2 3.69Å
453	K	81.8	Confident	91.9	Very high	150 Å²	150	42.7 Å²	42.7	65%	0.652	23%	0.23	S	C	*	.			trans	-100.5	77.7	-179.2	-69.6	-178.4	175.9	156.1	0	111.4	E451	E451-K453 VanDerWaalsContact C-N 3.32Å; E451-K453 HydrophobicContact CB-CG 4.29Å; E451-K453 HydrophobicContact CG-CG 4.16Å; E451-K453 PolarHBondContact O-N 3.42Å; E451-K453 WeakPolarHBondContact OE1-CE 3.36Å; E451-K453 WeakPolarHBondContact OE2-CE 3.29Å; E451-K453 IonicContact OE2-NZ 3.24Å; E451-K453 PolarHBondContact OE2-NZ 3.03Å
454	T	90.9	Very high	91.6	Very high	11 Å²	11	45.9 Å²	45.9	7%	0.067	27%	0.267	C	S	.	.			trans	-150.6	149.7	175.2	-173.5	0	0	0	0	111.8	D89 Q432 M433 V436 F452	D89-T454 PolarHBondContact OD1-OG1 2.79Å; D89-T454 PolarHBondContact OD2-OG1 2.83Å; Q432-T454 PolarHBondContact NE2-OG1 2.79Å; M433-T454 HydrophobicContact SD-CG2 4.23Å; V436-T454 HydrophobicContact CG1-CG2 4.02Å; V436-T454 HydrophobicContact CG2-CG2 4.02Å; F452-T454 HydrophobicContact CD1-CG2 3.74Å; F452-T454 HydrophobicContact CE1-CG2 3.17Å; F452-T454 HydrophobicContact CZ-CG2 3.69Å
455	V	93.9	Very high	91.5	Very high	10 Å²	10	48.3 Å²	48.3	6%	0.061	28%	0.275	C	S	.	.			trans	-106.9	122.6	168.1	176.8	0	0	0	0	106.7	Y457 A470 A516 L519	V455-Y457 PolarHBondContact O-N 3.06Å; V455-A470 HydrophobicContact CG1-CB 4.25Å; V455-A516 HydrophobicContact CB-CB 4.4Å; V455-A516 HydrophobicContact CG1-CB 4.24Å; V455-A516 WeakPolarHBondContact CG2-O 3.45Å; V455-L519 HydrophobicContact CG1-CB 4.42Å; V455-L519 HydrophobicContact CG1-CD1 4.26Å; V455-L519 HydrophobicContact CG2-CB 3.99Å
456	P	95.9	Very high	91.4	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.013	28%	0.279	C	S	.	.			trans	-54.6	127.4	179.7	-23.2	30.5	0	0	0	110.2	F418 I428 M433 A470 G471	F418-P456 HydrophobicContact CE1-CG 4.49Å; F418-P456 HydrophobicContact CE2-CG 3.99Å; F418-P456 HydrophobicContact CZ-CG 3.66Å; I428-P456 HydrophobicContact CD1-CB 4.47Å; I428-P456 HydrophobicContact CD1-CG 3.79Å; I428-P456 HydrophobicContact CG2-CB 4.28Å; M433-P456 HydrophobicContact CG-CB 4.35Å; M433-P456 HydrophobicContact SD-CB 4.07Å; M433-P456 HydrophobicContact SD-CG 3.98Å; P456-A470 CarbonylContact O-C 3.59Å; P456-A470 VanDerWaalsContact O-CA 3.25Å; P456-A470 WeakPolarHBondContact O-CA 3.38Å; P456-G471 WeakPolarHBondContact CB-O 3.27Å; P456-G471 PolarHBondContact O-N 3.03Å
457	Y	96.2	Very high	91.4	Very high	1 Å²	1	46.6 Å²	46.6	0%	0.004	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	130.6	-178.1	-155.3	-70.7	0	0	0	109.6	H76 V455 R468 Y469 A470 V512 S513 A516	H76-Y457 WeakPolarHBondContact O-CD1 3.49Å; V455-Y457 PolarHBondContact O-N 3.06Å; Y457-R468 HydrophobicContact CE1-CB 4.47Å; Y457-Y469 WeakPolarHBondContact CA-O 3.13Å; Y457-A470 HydrophobicContact CD2-CB 3.86Å; Y457-A470 HydrophobicContact CE2-CB 4.12Å; Y457-V512 HydrophobicContact CD2-CG1 4.43Å; Y457-V512 HydrophobicContact CE1-CG1 4.36Å; Y457-V512 HydrophobicContact CE2-CB 4.47Å; Y457-V512 HydrophobicContact CE2-CG1 3.62Å; Y457-S513 PolarHBondContact OH-OG 2.77Å; Y457-S513 VanDerWaalsContact OH-OG 3.07Å; Y457-A516 HydrophobicContact CD2-CB 4.19Å; Y457-A516 HydrophobicContact CE2-CB 4.31Å
458	F	93.1	Very high	91.5	Very high	19 Å²	19	44.2 Å²	44.2	8%	0.083	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	166.7	173.3	82.8	-96.9	0	0	0	112.1	F287 H430 Y469	F287-F458 HydrophobicContact CD1-CE2 4.42Å; F287-F458 AromaticContact CE1-CE2 3.66Å; F287-F458 HydrophobicContact CE1-CE2 3.66Å; F287-F458 HydrophobicContact CE1-CZ 4.2Å; F287-F458 AromaticContact CE2-CE2 3.89Å; F287-F458 HydrophobicContact CE2-CE2 3.89Å; F287-F458 AromaticContact CE2-CZ 3.95Å; F287-F458 HydrophobicContact CE2-CZ 3.95Å; F287-F458 AromaticContact CZ-CE2 3.35Å; F287-F458 HydrophobicContact CZ-CE2 3.35Å; F287-F458 AromaticContact CZ-CZ 3.47Å; F287-F458 HydrophobicContact CZ-CZ 3.47Å; F287-F458 VanDerWaalsContact CZ-CZ 3.47Å; H430-F458 AromaticContact CE1-CD1 3.43Å; H430-F458 VanDerWaalsContact CE1-CD1 3.43Å; H430-F458 WeakPolarHBondContact CE1-CD1 3.34Å; H430-F458 AromaticContact CE1-CE1 3.94Å; H430-F458 AromaticContact CE1-CG 3.75Å; H430-F458 AromaticContact NE2-CD1 3.4Å; H430-F458 WeakPolarHBondContact NE2-CD1 3.42Å; H430-F458 AromaticContact NE2-CE1 3.92Å; F458-Y469 AromaticContact CD1-CD1 3.51Å; F458-Y469 HydrophobicContact CD1-CD1 3.51Å; F458-Y469 HydrophobicContact CD1-CE1 4.35Å; F458-Y469 AromaticContact CD1-CG 3.72Å; F458-Y469 HydrophobicContact CD1-CG 3.72Å; F458-Y469 AromaticContact CE1-CD1 3.19Å; F458-Y469 HydrophobicContact CE1-CD1 3.19Å; F458-Y469 AromaticContact CE1-CD2 3.73Å; F458-Y469 HydrophobicContact CE1-CD2 3.73Å; F458-Y469 AromaticContact CE1-CE1 3.85Å; F458-Y469 HydrophobicContact CE1-CE1 3.85Å; F458-Y469 HydrophobicContact CE1-CE2 4.33Å; F458-Y469 AromaticContact CE1-CG 3.11Å; F458-Y469 HydrophobicContact CE1-CG 3.11Å; F458-Y469 VanDerWaalsContact CZ-CB 3.46Å; F458-Y469 HydrophobicContact CZ-CD1 4.17Å; F458-Y469 AromaticContact CZ-CD2 3.93Å; F458-Y469 HydrophobicContact CZ-CD2 3.93Å; F458-Y469 AromaticContact CZ-CG 3.62Å; F458-Y469 HydrophobicContact CZ-CG 3.62Å; F458-Y469 PolarHBondContact N-O 3.17Å; F458-Y469 PolarHBondContact O-N 2.87Å
459	W	95.3	Very high	91.7	Very high	24 Å²	24	39.4 Å²	39.4	9%	0.091	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	158.5	176.2	73.2	106.4	0	0	0	110.3	H56 Y57 H76 P91 P181 T466 I467	H56-W459 AromaticContact CE1-CH2 3.51Å; H56-W459 AromaticContact CE1-CZ2 3.75Å; Y57-W459 AromaticContact CE2-CZ2 3.86Å; Y57-W459 HydrophobicContact CE2-CZ2 3.86Å; H76-W459 HydrophobicContact CB-CE3 4.24Å; H76-W459 HydrophobicContact CB-CZ3 4.4Å; H76-W459 AromaticContact CD2-CD1 3.64Å; H76-W459 AromaticContact CD2-CD2 3.17Å; H76-W459 AromaticContact CD2-CE2 3.46Å; H76-W459 VanDerWaalsContact CD2-CE2 3.46Å; H76-W459 AromaticContact CD2-CE3 3.56Å; H76-W459 AromaticContact CD2-CG 3.34Å; H76-W459 AromaticContact CD2-NE1 3.69Å; H76-W459 AromaticContact NE2-CD1 3.52Å; H76-W459 AromaticContact NE2-CD2 3.8Å; H76-W459 AromaticContact NE2-CE2 3.66Å; H76-W459 AromaticContact NE2-CG 3.73Å; H76-W459 AromaticContact NE2-NE1 3.46Å; H76-W459 PolarHBondContact NE2-NE1 3.09Å; P91-W459 HydrophobicContact CB-CZ3 4.5Å; P91-W459 HydrophobicContact CG-CH2 4.33Å; P91-W459 HydrophobicContact CG-CZ3 3.95Å; P181-W459 HydrophobicContact CB-CZ2 4.22Å; W459-T466 HydrophobicContact CB-CG2 4.16Å; W459-I467 CarbonylContact C-O 3.54Å; W459-I467 VanDerWaalsContact CA-O 3.23Å; W459-I467 WeakPolarHBondContact CA-O 3.5Å
460	S	96.1	Very high	92.2	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.007	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	138.2	168.6	-176.3	0	0	0	0	109.3	E291 M462 T466 I467	E291-S460 VanDerWaalsContact CD-OG 3.32Å; E291-S460 WeakPolarHBondContact CG-OG 3.43Å; E291-S460 WeakPolarHBondContact OE1-CA 3.24Å; E291-S460 WeakPolarHBondContact OE1-CB 3.14Å; E291-S460 PolarHBondContact OE1-OG 3.32Å; S460-M462 WeakPolarHBondContact OG-CE 3.3Å; S460-T466 CarbonylContact O-C 3.55Å; S460-T466 WeakPolarHBondContact O-CA 3.41Å; S460-I467 PolarHBondContact N-O 3.33Å; S460-I467 PolarHBondContact O-N 2.91Å
461	A	94.6	Very high	92.8	Very high	32 Å²	32	32 Å²	32	26%	0.264	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	127.6	-174.5	0	0	0	0	0	110	K185 K465	K185-A461 HydrophobicContact CD-CB 4.32Å; A461-K465 CarbonylContact C-O 3.59Å; A461-K465 VanDerWaalsContact CA-O 3.32Å; A461-K465 WeakPolarHBondContact CA-O 3.21Å
462	M	95.3	Very high	93.7	Very high	7 Å²	7	27 Å²	27	3%	0.034	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	127.5	-176.5	-57.6	163.7	-141.6	0	0	107.7	F287 M290 E291 A294 F313 I325 F329 S460 G464 K465	F287-M462 HydrophobicContact CD1-CE 4.23Å; M290-M462 HydrophobicContact CB-SD 4.18Å; E291-M462 HydrophobicContact CG-CG 4.33Å; A294-M462 HydrophobicContact CB-CB 4.03Å; A294-M462 HydrophobicContact CB-CG 4.46Å; F313-M462 HydrophobicContact CE1-CE 4.29Å; F313-M462 HydrophobicContact CE2-CE 4.12Å; F313-M462 HydrophobicContact CE2-SD 4.28Å; F313-M462 HydrophobicContact CZ-CE 3.5Å; F313-M462 VanDerWaalsContact CZ-CE 3.5Å; F313-M462 HydrophobicContact CZ-SD 4.03Å; I325-M462 HydrophobicContact CG2-SD 4.35Å; F329-M462 HydrophobicContact CE2-CB 4.1Å; F329-M462 HydrophobicContact CE2-CG 4.24Å; F329-M462 HydrophobicContact CE2-SD 3.55Å; F329-M462 VanDerWaalsContact CE2-SD 3.55Å; F329-M462 HydrophobicContact CZ-CB 4.02Å; F329-M462 HydrophobicContact CZ-CG 3.96Å; F329-M462 HydrophobicContact CZ-SD 3.64Å; S460-M462 WeakPolarHBondContact OG-CE 3.3Å; M462-G464 VanDerWaalsContact C-N 3.27Å; M462-G464 PolarHBondContact O-N 3.04Å; M462-K465 PolarHBondContact N-O 2.86Å; M462-K465 PolarHBondContact O-N 2.89Å; M462-K465 VanDerWaalsContact O-O 3.1Å
463	F	95.1	Very high	94.4	Very high	46 Å²	46	26 Å²	26	20%	0.202	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	40.4	179.9	-51.5	-67.2	0	0	0	114.4	A294 T297 L328 F329 N332 V334 K465	A294-F463 HydrophobicContact CB-CD1 4.12Å; A294-F463 HydrophobicContact CB-CD2 4.09Å; A294-F463 HydrophobicContact CB-CE1 3.78Å; A294-F463 HydrophobicContact CB-CE2 3.77Å; A294-F463 HydrophobicContact CB-CG 4.27Å; A294-F463 HydrophobicContact CB-CZ 3.6Å; T297-F463 HydrophobicContact CG2-CE1 4.05Å; T297-F463 WeakPolarHBondContact OG1-CE1 3.47Å; L328-F463 HydrophobicContact CD1-CD2 4.37Å; L328-F463 HydrophobicContact CD2-CD2 4Å; L328-F463 HydrophobicContact CG-CD2 3.89Å; L328-F463 HydrophobicContact CG-CE2 4.47Å; F329-F463 HydrophobicContact CB-CE2 4.38Å; F329-F463 AromaticContact CD1-CE2 3.63Å; F329-F463 HydrophobicContact CD1-CE2 3.63Å; F329-F463 AromaticContact CD1-CZ 3.86Å; F329-F463 HydrophobicContact CD1-CZ 3.86Å; F329-F463 HydrophobicContact CD2-CD2 4.35Å; F329-F463 AromaticContact CD2-CE2 3.61Å; F329-F463 HydrophobicContact CD2-CE2 3.61Å; F329-F463 AromaticContact CE1-CE2 3.62Å; F329-F463 HydrophobicContact CE1-CE2 3.62Å; F329-F463 AromaticContact CE1-CZ 3.91Å; F329-F463 HydrophobicContact CE1-CZ 3.91Å; F329-F463 HydrophobicContact CE2-CD2 4.19Å; F329-F463 AromaticContact CE2-CE2 3.64Å; F329-F463 HydrophobicContact CE2-CE2 3.64Å; F329-F463 AromaticContact CG-CE2 3.62Å; F329-F463 HydrophobicContact CG-CE2 3.62Å; F329-F463 HydrophobicContact CG-CZ 4.21Å; F329-F463 HydrophobicContact CZ-CD2 4.39Å; F329-F463 AromaticContact CZ-CE2 3.64Å; F329-F463 HydrophobicContact CZ-CE2 3.64Å; F329-F463 HydrophobicContact CZ-CZ 4.34Å; N332-F463 HydrophobicContact CB-CD1 4.03Å; N332-F463 HydrophobicContact CB-CE1 3.57Å; N332-F463 HydrophobicContact CB-CE2 4.1Å; N332-F463 HydrophobicContact CB-CG 4.49Å; N332-F463 HydrophobicContact CB-CZ 3.6Å; V334-F463 HydrophobicContact CG2-CZ 4.36Å; F463-K465 PolarHBondContact O-N 3.05Å
464	G	91.2	Very high	94.9	Very high	83 Å²	83	22.4 Å²	22.4	86%	0.856	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.9	-2.4	-177	0	0	0	0	0	115.1	M462	M462-G464 VanDerWaalsContact C-N 3.27Å; M462-G464 PolarHBondContact O-N 3.04Å
465	K	94.3	Very high	94.9	Very high	61 Å²	61	24.1 Å²	24.1	27%	0.265	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	144.6	173.2	-59.6	179.9	-170.9	-79.2	0	109.5	L328 A461 M462 F463 L488 M506	L328-K465 HydrophobicContact CD1-CD 4.15Å; L328-K465 HydrophobicContact CD2-CD 4.04Å; A461-K465 CarbonylContact C-O 3.59Å; A461-K465 VanDerWaalsContact CA-O 3.32Å; A461-K465 WeakPolarHBondContact CA-O 3.21Å; M462-K465 PolarHBondContact N-O 2.86Å; M462-K465 PolarHBondContact O-N 2.89Å; M462-K465 VanDerWaalsContact O-O 3.1Å; F463-K465 PolarHBondContact O-N 3.05Å; K465-L488 HydrophobicContact CD-CB 4.31Å; K465-L488 HydrophobicContact CD-CD1 3.49Å; K465-L488 VanDerWaalsContact CD-CD1 3.49Å; K465-M506 HydrophobicContact CB-CE 4.49Å; K465-M506 HydrophobicContact CB-CG 4.39Å; K465-M506 HydrophobicContact CB-SD 3.84Å; K465-M506 HydrophobicContact CD-SD 4.1Å
466	T	95.5	Very high	95	Very high	30 Å²	30	25.9 Å²	25.9	18%	0.184	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	124	-179.6	-57.6	0	0	0	0	109.8	W459 S460 R468	W459-T466 HydrophobicContact CB-CG2 4.16Å; S460-T466 CarbonylContact O-C 3.55Å; S460-T466 WeakPolarHBondContact O-CA 3.41Å; T466-R468 HydrophobicContact CG2-CG 4.05Å
467	I	97.1	Very high	95	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	132.5	162.6	-169.2	158	0	0	0	108.6	L317 V321 I325 W459 S460 A504 S505 M506	L317-I467 HydrophobicContact CD1-CD1 3.5Å; L317-I467 VanDerWaalsContact CD1-CD1 3.5Å; L317-I467 HydrophobicContact CD2-CD1 3.94Å; L317-I467 HydrophobicContact CG-CD1 4.37Å; V321-I467 HydrophobicContact CG1-CD1 4.22Å; I325-I467 HydrophobicContact CD1-CD1 4.18Å; W459-I467 CarbonylContact C-O 3.54Å; W459-I467 VanDerWaalsContact CA-O 3.23Å; W459-I467 WeakPolarHBondContact CA-O 3.5Å; S460-I467 PolarHBondContact N-O 3.33Å; S460-I467 PolarHBondContact O-N 2.91Å; I467-A504 HydrophobicContact CD1-CB 4.19Å; I467-A504 HydrophobicContact CG1-CB 4.25Å; I467-S505 WeakPolarHBondContact CA-O 3.26Å; I467-M506 HydrophobicContact CB-CE 3.79Å
468	R	97.3	Very high	95	Very high	15 Å²	15	32.7 Å²	32.7	6%	0.057	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	150	173.7	-62.6	179.4	-172.3	85.9	-11.3	108.8	P74 W75 Y457 T466 A504 S505 D509 V512	P74-R468 WeakPolarHBondContact O-CD 3.21Å; P74-R468 PolarHBondContact O-NE 3.4Å; W75-R468 WeakPolarHBondContact O-CD 3.43Å; W75-R468 PolarHBondContact O-NE 3.25Å; Y457-R468 HydrophobicContact CE1-CB 4.47Å; T466-R468 HydrophobicContact CG2-CG 4.05Å; R468-A504 CarbonylContact O-C 3.52Å; R468-A504 WeakPolarHBondContact O-CA 3.41Å; R468-S505 PolarHBondContact N-O 3.47Å; R468-S505 PolarHBondContact O-N 2.83Å; R468-D509 VanDerWaalsContact CD-OD1 3.27Å; R468-D509 WeakPolarHBondContact CD-OD1 3.38Å; R468-D509 IonicContact CZ-OD1 2.7Å; R468-D509 IonicContact CZ-OD2 3.17Å; R468-D509 IonicContact NE-OD1 2.7Å; R468-D509 PolarHBondContact NE-OD1 3.04Å; R468-D509 IonicContact NE-OD2 3.92Å; R468-D509 IonicContact NH1-OD1 2.75Å; R468-D509 PolarHBondContact NH1-OD1 3Å; R468-D509 IonicContact NH1-OD2 3.93Å; R468-D509 PolarHBondContact NH1-OD2 2.86Å; R468-D509 IonicContact NH2-OD1 3.35Å; R468-D509 IonicContact NH2-OD2 3.93Å; R468-D509 PolarHBondContact NH2-OD2 2.71Å; R468-V512 HydrophobicContact CB-CB 4.18Å; R468-V512 HydrophobicContact CB-CG1 4.13Å; R468-V512 HydrophobicContact CB-CG2 4.05Å
469	Y	97.7	Very high	95.2	Very high	14 Å²	14	32.2 Å²	32.2	6%	0.055	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	139	-177.1	-175.2	-80.6	0	0	0	111.2	L317 Y457 F458 G471 G473 Y494 A502 V503 A504	L317-Y469 HydrophobicContact CD2-CD2 4.19Å; L317-Y469 HydrophobicContact CD2-CE2 4.5Å; Y457-Y469 WeakPolarHBondContact CA-O 3.13Å; F458-Y469 AromaticContact CD1-CD1 3.51Å; F458-Y469 HydrophobicContact CD1-CD1 3.51Å; F458-Y469 HydrophobicContact CD1-CE1 4.35Å; F458-Y469 AromaticContact CD1-CG 3.72Å; F458-Y469 HydrophobicContact CD1-CG 3.72Å; F458-Y469 AromaticContact CE1-CD1 3.19Å; F458-Y469 HydrophobicContact CE1-CD1 3.19Å; F458-Y469 AromaticContact CE1-CD2 3.73Å; F458-Y469 HydrophobicContact CE1-CD2 3.73Å; F458-Y469 AromaticContact CE1-CE1 3.85Å; F458-Y469 HydrophobicContact CE1-CE1 3.85Å; F458-Y469 HydrophobicContact CE1-CE2 4.33Å; F458-Y469 AromaticContact CE1-CG 3.11Å; F458-Y469 HydrophobicContact CE1-CG 3.11Å; F458-Y469 VanDerWaalsContact CZ-CB 3.46Å; F458-Y469 HydrophobicContact CZ-CD1 4.17Å; F458-Y469 AromaticContact CZ-CD2 3.93Å; F458-Y469 HydrophobicContact CZ-CD2 3.93Å; F458-Y469 AromaticContact CZ-CG 3.62Å; F458-Y469 HydrophobicContact CZ-CG 3.62Å; F458-Y469 PolarHBondContact N-O 3.17Å; F458-Y469 PolarHBondContact O-N 2.87Å; Y469-G471 WeakPolarHBondContact CE1-O 3.39Å; Y469-G473 VanDerWaalsContact OH-CA 3.22Å; Y469-G473 WeakPolarHBondContact OH-CA 3.4Å; Y469-G473 PolarHBondContact OH-N 3.17Å; Y469-Y494 HydrophobicContact CD2-CE2 4.28Å; Y469-Y494 HydrophobicContact CE2-CD2 4.02Å; Y469-Y494 AromaticContact CE2-CE2 3.84Å; Y469-Y494 HydrophobicContact CE2-CE2 3.84Å; Y469-A502 HydrophobicContact CE1-CB 3.89Å; Y469-A502 HydrophobicContact CE2-CB 4Å; Y469-A502 WeakPolarHBondContact OH-CB 3.44Å; Y469-V503 CarbonylContact C-O 3.54Å; Y469-V503 VanDerWaalsContact CA-O 3.24Å; Y469-V503 WeakPolarHBondContact CA-O 3.16Å; Y469-A504 HydrophobicContact CD2-CB 3.98Å
470	A	97.3	Very high	95.3	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	143.8	171.6	0	0	0	0	0	111.4	V455 P456 Y457 A502 V503 V512 A516	V455-A470 HydrophobicContact CG1-CB 4.25Å; P456-A470 CarbonylContact O-C 3.59Å; P456-A470 VanDerWaalsContact O-CA 3.25Å; P456-A470 WeakPolarHBondContact O-CA 3.38Å; Y457-A470 HydrophobicContact CD2-CB 3.86Å; Y457-A470 HydrophobicContact CE2-CB 4.12Å; A470-A502 CarbonylContact O-C 3.48Å; A470-A502 WeakPolarHBondContact O-CA 3.41Å; A470-A502 WeakPolarHBondContact O-CB 3.44Å; A470-V503 HydrophobicContact CB-CG1 4.11Å; A470-V503 PolarHBondContact N-O 3.16Å; A470-V503 PolarHBondContact O-N 2.68Å; A470-V512 HydrophobicContact CB-CG1 3.57Å; A470-A516 HydrophobicContact CB-CB 3.84Å
471	G	95.6	Very high	95.3	Very high	5 Å²	5	34 Å²	34	5%	0.052	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	105.2	-167.4	177.9	0	0	0	0	0	113.4	P456 Y469	P456-G471 WeakPolarHBondContact CB-O 3.27Å; P456-G471 PolarHBondContact O-N 3.03Å; Y469-G471 WeakPolarHBondContact CE1-O 3.39Å
472	Y	94.6	Very high	95.4	Very high	32 Å²	32	33.7 Å²	33.7	13%	0.125	20%	0.201	C	C	.	.			trans	-131.1	91.4	178	179.3	-105.6	0	0	0	109.2	F418 R421 V426 I428 D474 V501	F418-Y472 HydrophobicContact CE1-CG 4.29Å; R421-Y472 HydrophobicContact CG-CD1 3.91Å; R421-Y472 PolarHBondContact NH2-O 3.45Å; V426-Y472 HydrophobicContact CB-CE1 4.47Å; V426-Y472 HydrophobicContact CB-CE2 4.31Å; V426-Y472 HydrophobicContact CG1-CE1 3.75Å; V426-Y472 HydrophobicContact CG1-CE2 4.45Å; I428-Y472 HydrophobicContact CD1-CD2 3.48Å; I428-Y472 VanDerWaalsContact CD1-CD2 3.48Å; I428-Y472 HydrophobicContact CD1-CE2 3.92Å; I428-Y472 HydrophobicContact CD1-CG 4.21Å; I428-Y472 HydrophobicContact CG1-CD2 3.78Å; I428-Y472 HydrophobicContact CG1-CE2 3.72Å; Y472-D474 HydrophobicContact CD1-CB 4.4Å; Y472-D474 HydrophobicContact CE1-CB 3.65Å; Y472-D474 HydrophobicContact CE2-CB 3.89Å; Y472-D474 VanDerWaalsContact OH-CB 3.3Å; Y472-D474 WeakPolarHBondContact OH-CB 3.42Å; Y472-D474 PolarHBondContact OH-OD2 3.18Å; Y472-V501 PolarHBondContact N-O 2.72Å
473	G	93.3	Very high	95.3	Very high	3 Å²	3	36 Å²	36	3%	0.031	23%	0.226	C	C	.	.			trans	-85.2	1.2	-173	0	0	0	0	0	115.8	Y469 G475 F476	Y469-G473 VanDerWaalsContact OH-CA 3.22Å; Y469-G473 WeakPolarHBondContact OH-CA 3.4Å; Y469-G473 PolarHBondContact OH-N 3.17Å; G473-G475 PolarHBondContact O-N 3.02Å; G473-G475 VanDerWaalsContact O-N 3.13Å; G473-F476 WeakPolarHBondContact O-CB 3.48Å; G473-F476 VanDerWaalsContact O-CD1 3.22Å; G473-F476 WeakPolarHBondContact O-CD1 3.45Å; G473-F476 PolarHBondContact O-N 3.07Å
474	D	91.9	Very high	95.3	Very high	74 Å²	74	36.8 Å²	36.8	40%	0.396	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	123.5	179.7	-175.8	52.7	0	0	0	111.4	Y472	Y472-D474 HydrophobicContact CD1-CB 4.4Å; Y472-D474 HydrophobicContact CE1-CB 3.65Å; Y472-D474 HydrophobicContact CE2-CB 3.89Å; Y472-D474 VanDerWaalsContact OH-CB 3.3Å; Y472-D474 WeakPolarHBondContact OH-CB 3.42Å; Y472-D474 PolarHBondContact OH-OD2 3.18Å
475	G	91.4	Very high	95.6	Very high	47 Å²	47	34.8 Å²	34.8	49%	0.485	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.9	25.9	-174.2	0	0	0	0	0	115.3	G473 R496	G473-G475 PolarHBondContact O-N 3.02Å; G473-G475 VanDerWaalsContact O-N 3.13Å; G475-R496 WeakPolarHBondContact O-CD 3.2Å
476	F	95.9	Very high	95.7	Very high	48 Å²	48	37.3 Å²	37.3	21%	0.211	22%	0.218	C	C	.	.			trans	-59.8	150.9	163.2	75.7	-100.1	0	0	0	110.6	G473 V479 Y494 T495 V501	G473-F476 WeakPolarHBondContact O-CB 3.48Å; G473-F476 VanDerWaalsContact O-CD1 3.22Å; G473-F476 WeakPolarHBondContact O-CD1 3.45Å; G473-F476 PolarHBondContact O-N 3.07Å; F476-V479 HydrophobicContact CD2-CG2 3.91Å; F476-V479 HydrophobicContact CE2-CG2 3.51Å; F476-V479 HydrophobicContact CZ-CG2 4.26Å; F476-Y494 AromaticContact CD1-CD1 3.78Å; F476-Y494 HydrophobicContact CD1-CD1 3.78Å; F476-Y494 HydrophobicContact CD1-CG 4.47Å; F476-Y494 HydrophobicContact CD2-CD1 4.04Å; F476-Y494 AromaticContact CE1-CD1 3.9Å; F476-Y494 HydrophobicContact CE1-CD1 3.9Å; F476-Y494 HydrophobicContact CE1-CE1 4.23Å; F476-Y494 HydrophobicContact CE2-CD1 4.15Å; F476-Y494 AromaticContact CG-CD1 3.89Å; F476-Y494 HydrophobicContact CG-CD1 3.89Å; F476-Y494 HydrophobicContact CZ-CD1 4.1Å; F476-Y494 HydrophobicContact CZ-CE1 4.27Å; F476-T495 CarbonylContact C-O 3.48Å; F476-T495 WeakPolarHBondContact CA-O 3.5Å; F476-T495 VanDerWaalsContact CB-O 3.25Å; F476-T495 WeakPolarHBondContact CB-O 3.46Å; F476-V501 HydrophobicContact CB-CG2 4.34Å
477	D	95.9	Very high	95.7	Very high	94 Å²	94	42 Å²	42	50%	0.503	24%	0.239	S	C	.	.			trans	-116.3	-16.3	180	50.8	28	0	0	0	113.6	T495 R496 S497	D477-T495 PolarHBondContact N-O 3.17Å; D477-T495 VanDerWaalsContact OD1-O 3.04Å; D477-R496 WeakPolarHBondContact OD1-CA 3.13Å; D477-S497 PolarHBondContact OD1-N 3.1Å; D477-S497 PolarHBondContact OD2-N 2.86Å
478	D	96.3	Very high	95.6	Very high	51 Å²	51	42.6 Å²	42.6	27%	0.273	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	161.5	175.7	-165.5	11.1	0	0	0	112.3	T495 K527	D478-T495 WeakPolarHBondContact CB-OG1 3.18Å; D478-T495 PolarHBondContact O-N 2.87Å; D478-K527 WeakPolarHBondContact OD2-CE 3.48Å; D478-K527 IonicContact OD2-NZ 3.22Å; D478-K527 PolarHBondContact OD2-NZ 3.5Å
479	V	97.5	Very high	95.6	Very high	10 Å²	10	48.4 Å²	48.4	6%	0.061	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	109.9	179.8	-170.8	0	0	0	0	109.8	K320 F476 I481 A492 F493 Y494	K320-V479 PolarHBondContact NZ-O 3.01Å; F476-V479 HydrophobicContact CD2-CG2 3.91Å; F476-V479 HydrophobicContact CE2-CG2 3.51Å; F476-V479 HydrophobicContact CZ-CG2 4.26Å; V479-I481 HydrophobicContact CG1-CD1 3.78Å; V479-A492 HydrophobicContact CG1-CB 3.95Å; V479-F493 WeakPolarHBondContact CA-O 3.37Å; V479-Y494 HydrophobicContact CG1-CD1 4.3Å; V479-Y494 HydrophobicContact CG1-CE1 4Å; V479-Y494 HydrophobicContact CG2-CD1 3.69Å; V479-Y494 HydrophobicContact CG2-CE1 3.73Å
480	I	97.2	Very high	95.6	Very high	22 Å²	22	47.8 Å²	47.8	11%	0.113	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	124.1	175.8	-51.3	-54.8	0	0	0	108.8	A492 F493 T495 K527 V530 E531	I480-A492 WeakPolarHBondContact O-CA 3.2Å; I480-F493 HydrophobicContact CB-CB 4.39Å; I480-F493 PolarHBondContact N-O 3.05Å; I480-F493 PolarHBondContact O-N 2.81Å; I480-T495 HydrophobicContact CG1-CG2 4.41Å; I480-K527 HydrophobicContact CG1-CG 4.42Å; I480-V530 HydrophobicContact CB-CG2 4.33Å; I480-V530 HydrophobicContact CG1-CG2 4.43Å; I480-V530 HydrophobicContact CG2-CG2 4.33Å; I480-V530 VanDerWaalsContact CG2-O 3.3Å; I480-V530 WeakPolarHBondContact CG2-O 3.44Å; I480-E531 HydrophobicContact CD1-CG 4.07Å; I480-E531 HydrophobicContact CG1-CG 4.27Å; I480-E531 HydrophobicContact CG2-CG 4.36Å
481	I	97	Very high	95.6	Very high	39 Å²	39	47.8 Å²	47.8	20%	0.2	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	131.4	-176.7	-58.6	-62.7	0	0	0	109.2	K320 V321 V479 L485 F490 V491 A492	K320-I481 HydrophobicContact CD-CG1 3.99Å; V321-I481 HydrophobicContact CG2-CD1 4.08Å; V479-I481 HydrophobicContact CG1-CD1 3.78Å; I481-L485 HydrophobicContact CD1-CD1 4.5Å; I481-L485 HydrophobicContact CD1-CD2 4.44Å; I481-L485 HydrophobicContact CG1-CD1 4.27Å; I481-L485 HydrophobicContact CG2-CD1 4.28Å; I481-L485 HydrophobicContact CG2-CD2 4.46Å; I481-L485 HydrophobicContact CG2-CG 4.02Å; I481-F490 HydrophobicContact CG2-CB 4.4Å; I481-V491 WeakPolarHBondContact CA-O 3.31Å; I481-A492 HydrophobicContact CD1-CB 3.62Å
482	Q	95.2	Very high	95.7	Very high	27 Å²	27	47.5 Å²	47.5	13%	0.126	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	137.7	168.5	-67.2	-59.8	-20.4	0	0	109.7	F490 V491 F493 V530 G533 I535	Q482-F490 CarbonylContact O-C 3.52Å; Q482-F490 WeakPolarHBondContact O-CA 3.46Å; Q482-F490 WeakPolarHBondContact O-CB 3.26Å; Q482-V491 HydrophobicContact CB-CB 4.29Å; Q482-V491 PolarHBondContact N-O 3.13Å; Q482-V491 PolarHBondContact O-N 2.97Å; Q482-F493 HydrophobicContact CG-CD2 4.4Å; Q482-F493 HydrophobicContact CG-CE2 4.02Å; Q482-V530 PolarHBondContact NE2-O 3.39Å; Q482-G533 VanDerWaalsContact NE2-CA 3.33Å; Q482-I535 HydrophobicContact CG-CG2 4.29Å
483	G	94.4	Very high	95.8	Very high	54 Å²	54	46 Å²	46	56%	0.557	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	84.5	-152.4	-172.9	0	0	0	0	0	113
484	D	95.8	Very high	96.1	Very high	64 Å²	64	45.9 Å²	45.9	34%	0.342	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	122.3	-168.7	-168.1	-39.8	0	0	0	111.6	D486 E487 L488 R489	D484-D486 WeakPolarHBondContact OD1-CA 3.5Å; D484-D486 WeakPolarHBondContact OD1-CB 3.42Å; D484-D486 PolarHBondContact OD1-N 2.92Å; D484-E487 HydrophobicContact CB-CB 4.07Å; D484-E487 HydrophobicContact CB-CG 4.14Å; D484-E487 PolarHBondContact OD1-N 3.08Å; D484-E487 VanDerWaalsContact OD1-N 3.07Å; D484-L488 PolarHBondContact O-N 3.04Å; D484-R489 PolarHBondContact N-O 3.38Å; D484-R489 CarbonylContact O-C 3.53Å; D484-R489 PolarHBondContact O-N 3.45Å
485	L	97.1	Very high	96.3	Very high	40 Å²	40	42.3 Å²	42.3	21%	0.209	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-32.5	178.4	-77.7	173.4	0	0	0	112.9	K320 V321 A324 I481 L488 F490	K320-L485 HydrophobicContact CB-CD1 4.06Å; V321-L485 HydrophobicContact CG2-CD2 4.46Å; A324-L485 HydrophobicContact CB-CB 4.01Å; A324-L485 HydrophobicContact CB-CD2 3.97Å; A324-L485 HydrophobicContact CB-CG 4.46Å; I481-L485 HydrophobicContact CD1-CD1 4.5Å; I481-L485 HydrophobicContact CD1-CD2 4.44Å; I481-L485 HydrophobicContact CG1-CD1 4.27Å; I481-L485 HydrophobicContact CG2-CD1 4.28Å; I481-L485 HydrophobicContact CG2-CD2 4.46Å; I481-L485 HydrophobicContact CG2-CG 4.02Å; L485-L488 WeakPolarHBondContact O-CD2 3.28Å; L485-L488 PolarHBondContact O-N 2.7Å; L485-F490 HydrophobicContact CD2-CB 4.29Å; L485-F490 HydrophobicContact CD2-CD1 3.6Å; L485-F490 HydrophobicContact CD2-CD2 3.89Å; L485-F490 HydrophobicContact CD2-CE1 3.82Å; L485-F490 HydrophobicContact CD2-CE2 4.11Å; L485-F490 HydrophobicContact CD2-CG 3.65Å; L485-F490 HydrophobicContact CD2-CZ 4.08Å
486	D	94.9	Very high	96.5	Very high	114 Å²	114	45.6 Å²	45.6	61%	0.61	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-37.4	177.9	-78.5	-40.6	0	0	0	111.2	K327 D484 L488	K327-D486 IonicContact NZ-OD1 3.57Å; K327-D486 PolarHBondContact NZ-OD1 3.23Å; D484-D486 WeakPolarHBondContact OD1-CA 3.5Å; D484-D486 WeakPolarHBondContact OD1-CB 3.42Å; D484-D486 PolarHBondContact OD1-N 2.92Å; D486-L488 PolarHBondContact O-N 2.94Å
487	E	95.7	Very high	96.4	Very high	130 Å²	130	46.9 Å²	46.9	61%	0.607	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-8.9	172.3	-61.6	-171	164.8	0	0	113.4	D484 R489	D484-E487 HydrophobicContact CB-CB 4.07Å; D484-E487 HydrophobicContact CB-CG 4.14Å; D484-E487 PolarHBondContact OD1-N 3.08Å; D484-E487 VanDerWaalsContact OD1-N 3.07Å; E487-R489 HydrophobicContact CB-CB 4.36Å; E487-R489 PolarHBondContact O-N 3.09Å
488	L	96.5	Very high	96.3	Very high	12 Å²	12	47.6 Å²	47.6	6%	0.063	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	38	-173	-58.9	166.3	0	0	0	112.1	A324 L328 K465 D484 L485 D486 F490 M506 N507	A324-L488 HydrophobicContact CB-CD2 4.18Å; L328-L488 HydrophobicContact CB-CD1 4.04Å; L328-L488 HydrophobicContact CD1-CD1 3.79Å; L328-L488 HydrophobicContact CD2-CD1 3.96Å; L328-L488 HydrophobicContact CG-CD1 4.13Å; K465-L488 HydrophobicContact CD-CB 4.31Å; K465-L488 HydrophobicContact CD-CD1 3.49Å; K465-L488 VanDerWaalsContact CD-CD1 3.49Å; D484-L488 PolarHBondContact O-N 3.04Å; L485-L488 WeakPolarHBondContact O-CD2 3.28Å; L485-L488 PolarHBondContact O-N 2.7Å; D486-L488 PolarHBondContact O-N 2.94Å; L488-F490 HydrophobicContact CD2-CE1 4.4Å; L488-M506 HydrophobicContact CB-CG 4.46Å; L488-M506 HydrophobicContact CB-SD 3.85Å; L488-M506 HydrophobicContact CD1-SD 4.45Å; L488-M506 HydrophobicContact CD2-SD 4.16Å; L488-M506 HydrophobicContact CG-SD 4.4Å; L488-M506 CarbonylContact O-C 3.57Å; L488-N507 PolarHBondContact O-ND2 2.87Å
489	R	96.5	Very high	96.3	Very high	137 Å²	137	49 Å²	49	52%	0.517	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	81.5	175.9	-178.7	-174.2	154.9	99	-1.5	107.5	D484 E487 M506 Y508	D484-R489 PolarHBondContact N-O 3.38Å; D484-R489 CarbonylContact O-C 3.53Å; D484-R489 PolarHBondContact O-N 3.45Å; E487-R489 HydrophobicContact CB-CB 4.36Å; E487-R489 PolarHBondContact O-N 3.09Å; R489-M506 WeakPolarHBondContact CA-O 3.4Å; R489-Y508 HydrophobicContact CG-CD2 4.14Å
490	F	96.8	Very high	96.2	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	162.7	-172.3	69.8	-91.7	0	0	0	113.3	V321 I481 Q482 L485 L488 A492 S505 M506	V321-F490 HydrophobicContact CG1-CE2 4.1Å; V321-F490 HydrophobicContact CG1-CZ 3.81Å; V321-F490 HydrophobicContact CG2-CE2 3.96Å; V321-F490 HydrophobicContact CG2-CZ 4.4Å; I481-F490 HydrophobicContact CG2-CB 4.4Å; Q482-F490 CarbonylContact O-C 3.52Å; Q482-F490 WeakPolarHBondContact O-CA 3.46Å; Q482-F490 WeakPolarHBondContact O-CB 3.26Å; L485-F490 HydrophobicContact CD2-CB 4.29Å; L485-F490 HydrophobicContact CD2-CD1 3.6Å; L485-F490 HydrophobicContact CD2-CD2 3.89Å; L485-F490 HydrophobicContact CD2-CE1 3.82Å; L485-F490 HydrophobicContact CD2-CE2 4.11Å; L485-F490 HydrophobicContact CD2-CG 3.65Å; L485-F490 HydrophobicContact CD2-CZ 4.08Å; L488-F490 HydrophobicContact CD2-CE1 4.4Å; F490-A492 HydrophobicContact CD2-CB 4.19Å; F490-A492 HydrophobicContact CE2-CB 4.11Å; F490-S505 VanDerWaalsContact O-CA 3.26Å; F490-S505 WeakPolarHBondContact O-CA 3.4Å; F490-S505 VanDerWaalsContact O-CB 3.3Å; F490-S505 WeakPolarHBondContact O-CB 3.5Å; F490-M506 HydrophobicContact CD1-CB 4.22Å; F490-M506 HydrophobicContact CE1-CB 3.69Å; F490-M506 HydrophobicContact CZ-CB 3.99Å; F490-M506 PolarHBondContact N-O 3.35Å; F490-M506 VanDerWaalsContact N-O 3.11Å; F490-M506 PolarHBondContact O-N 2.84Å
491	V	97.5	Very high	96.1	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	132.3	164.6	-165.7	0	0	0	0	107.8	I481 Q482 F493 V503 A504 Y508 I511 I535	I481-V491 WeakPolarHBondContact CA-O 3.31Å; Q482-V491 HydrophobicContact CB-CB 4.29Å; Q482-V491 PolarHBondContact N-O 3.13Å; Q482-V491 PolarHBondContact O-N 2.97Å; V491-F493 HydrophobicContact CB-CE2 4.09Å; V491-F493 HydrophobicContact CG1-CD2 4.16Å; V491-F493 HydrophobicContact CG1-CE1 4.26Å; V491-F493 HydrophobicContact CG1-CE2 3.61Å; V491-F493 HydrophobicContact CG1-CZ 3.68Å; V491-V503 HydrophobicContact CG1-CG2 3.42Å; V491-V503 VanDerWaalsContact CG1-CG2 3.42Å; V491-A504 CarbonylContact C-O 3.47Å; V491-A504 WeakPolarHBondContact CA-O 3.44Å; V491-Y508 HydrophobicContact CG2-CD1 3.36Å; V491-Y508 HydrophobicContact CG2-CD2 3.89Å; V491-Y508 HydrophobicContact CG2-CE1 3.79Å; V491-Y508 HydrophobicContact CG2-CE2 4.26Å; V491-Y508 HydrophobicContact CG2-CG 3.42Å; V491-Y508 VanDerWaalsContact CG2-CG 3.42Å; V491-I511 HydrophobicContact CG1-CG1 4.13Å; V491-I511 HydrophobicContact CG1-CG2 3.98Å; V491-I511 HydrophobicContact CG2-CB 4.43Å; V491-I511 HydrophobicContact CG2-CG1 4.22Å; V491-I511 HydrophobicContact CG2-CG2 3.73Å; V491-I535 HydrophobicContact CG2-CD1 4.32Å
492	A	98	Very high	96.2	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	111.3	175.7	0	0	0	0	0	108.9	V321 V479 I480 I481 F490 Y494 V503 A504	V321-A492 HydrophobicContact CG2-CB 3.84Å; V479-A492 HydrophobicContact CG1-CB 3.95Å; I480-A492 WeakPolarHBondContact O-CA 3.2Å; I481-A492 HydrophobicContact CD1-CB 3.62Å; F490-A492 HydrophobicContact CD2-CB 4.19Å; F490-A492 HydrophobicContact CE2-CB 4.11Å; A492-Y494 HydrophobicContact CB-CE2 4.2Å; A492-V503 CarbonylContact O-C 3.42Å; A492-V503 VanDerWaalsContact O-CA 3.29Å; A492-V503 WeakPolarHBondContact O-CA 3.4Å; A492-A504 HydrophobicContact CB-CB 4.44Å; A492-A504 PolarHBondContact N-O 3.24Å; A492-A504 PolarHBondContact O-N 2.78Å
493	F	98	Very high	96.3	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	120.6	173.8	-63.5	-84.5	0	0	0	109.2	V479 I480 Q482 V491 V500 V503 V515 V530 I535 L538	V479-F493 WeakPolarHBondContact CA-O 3.37Å; I480-F493 HydrophobicContact CB-CB 4.39Å; I480-F493 PolarHBondContact N-O 3.05Å; I480-F493 PolarHBondContact O-N 2.81Å; Q482-F493 HydrophobicContact CG-CD2 4.4Å; Q482-F493 HydrophobicContact CG-CE2 4.02Å; V491-F493 HydrophobicContact CB-CE2 4.09Å; V491-F493 HydrophobicContact CG1-CD2 4.16Å; V491-F493 HydrophobicContact CG1-CE1 4.26Å; V491-F493 HydrophobicContact CG1-CE2 3.61Å; V491-F493 HydrophobicContact CG1-CZ 3.68Å; F493-V500 HydrophobicContact CB-CG1 4.26Å; F493-V500 HydrophobicContact CB-CG2 4.34Å; F493-V500 HydrophobicContact CD1-CG1 3.93Å; F493-V500 HydrophobicContact CD1-CG2 4.47Å; F493-V503 HydrophobicContact CD1-CB 4.21Å; F493-V503 HydrophobicContact CD1-CG2 3.88Å; F493-V503 HydrophobicContact CE1-CB 4.47Å; F493-V503 HydrophobicContact CE1-CG2 3.9Å; F493-V503 HydrophobicContact CG-CG2 4.48Å; F493-V503 HydrophobicContact CZ-CG2 4.49Å; F493-V515 HydrophobicContact CE1-CG2 3.92Å; F493-V530 HydrophobicContact CB-CG2 3.99Å; F493-V530 HydrophobicContact CD1-CB 4.49Å; F493-V530 HydrophobicContact CD1-CG1 3.96Å; F493-V530 HydrophobicContact CD2-CB 3.83Å; F493-V530 HydrophobicContact CD2-CG1 4.07Å; F493-V530 HydrophobicContact CD2-CG2 4.21Å; F493-V530 HydrophobicContact CE1-CG1 3.91Å; F493-V530 HydrophobicContact CE2-CB 4.1Å; F493-V530 HydrophobicContact CE2-CG1 4.04Å; F493-V530 HydrophobicContact CG-CB 4.04Å; F493-V530 HydrophobicContact CG-CG1 4.02Å; F493-V530 HydrophobicContact CG-CG2 4.04Å; F493-V530 HydrophobicContact CZ-CG1 3.95Å; F493-I535 HydrophobicContact CE2-CG2 4.14Å; F493-I535 HydrophobicContact CZ-CG2 4.18Å; F493-L538 HydrophobicContact CE1-CD1 3.88Å; F493-L538 HydrophobicContact CZ-CD1 3.8Å
494	Y	97.9	Very high	96.5	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	121.9	177.4	-61.5	-84	0	0	0	108.8	L317 Y469 F476 V479 A492 V500 V501 A502 A504	L317-Y494 VanDerWaalsContact CA-OH 3.23Å; L317-Y494 WeakPolarHBondContact CA-OH 3.31Å; L317-Y494 WeakPolarHBondContact CD2-OH 3.5Å; L317-Y494 VanDerWaalsContact O-CE1 3.27Å; L317-Y494 WeakPolarHBondContact O-CE1 3.35Å; L317-Y494 PolarHBondContact O-OH 2.93Å; Y469-Y494 HydrophobicContact CD2-CE2 4.28Å; Y469-Y494 HydrophobicContact CE2-CD2 4.02Å; Y469-Y494 AromaticContact CE2-CE2 3.84Å; Y469-Y494 HydrophobicContact CE2-CE2 3.84Å; F476-Y494 AromaticContact CD1-CD1 3.78Å; F476-Y494 HydrophobicContact CD1-CD1 3.78Å; F476-Y494 HydrophobicContact CD1-CG 4.47Å; F476-Y494 HydrophobicContact CD2-CD1 4.04Å; F476-Y494 AromaticContact CE1-CD1 3.9Å; F476-Y494 HydrophobicContact CE1-CD1 3.9Å; F476-Y494 HydrophobicContact CE1-CE1 4.23Å; F476-Y494 HydrophobicContact CE2-CD1 4.15Å; F476-Y494 AromaticContact CG-CD1 3.89Å; F476-Y494 HydrophobicContact CG-CD1 3.89Å; F476-Y494 HydrophobicContact CZ-CD1 4.1Å; F476-Y494 HydrophobicContact CZ-CE1 4.27Å; V479-Y494 HydrophobicContact CG1-CD1 4.3Å; V479-Y494 HydrophobicContact CG1-CE1 4Å; V479-Y494 HydrophobicContact CG2-CD1 3.69Å; V479-Y494 HydrophobicContact CG2-CE1 3.73Å; A492-Y494 HydrophobicContact CB-CE2 4.2Å; Y494-V500 WeakPolarHBondContact O-CA 3.04Å; Y494-V501 VanDerWaalsContact O-CG2 3.3Å; Y494-V501 WeakPolarHBondContact O-CG2 3.45Å; Y494-V501 PolarHBondContact O-N 3.07Å; Y494-A502 HydrophobicContact CD2-CB 4.06Å; Y494-A502 HydrophobicContact CG-CB 4.45Å; Y494-A502 PolarHBondContact N-O 2.86Å; Y494-A502 PolarHBondContact O-N 2.7Å; Y494-A504 HydrophobicContact CE2-CB 3.72Å
495	T	96.9	Very high	96.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	153.2	-177.9	62.9	0	0	0	0	111.9	F476 D477 D478 I480 E499 V500 K527	F476-T495 CarbonylContact C-O 3.48Å; F476-T495 WeakPolarHBondContact CA-O 3.5Å; F476-T495 VanDerWaalsContact CB-O 3.25Å; F476-T495 WeakPolarHBondContact CB-O 3.46Å; D477-T495 PolarHBondContact N-O 3.17Å; D477-T495 VanDerWaalsContact OD1-O 3.04Å; D478-T495 WeakPolarHBondContact CB-OG1 3.18Å; D478-T495 PolarHBondContact O-N 2.87Å; I480-T495 HydrophobicContact CG1-CG2 4.41Å; T495-E499 CarbonylContact C-O 3.57Å; T495-E499 WeakPolarHBondContact CA-O 3.3Å; T495-V500 HydrophobicContact CG2-CG2 4.06Å; T495-K527 HydrophobicContact CG2-CB 4.11Å; T495-K527 HydrophobicContact CG2-CD 4.44Å; T495-K527 HydrophobicContact CG2-CG 4.02Å
496	R	94.9	Very high	96.6	Very high	115 Å²	115	38.1 Å²	38.1	43%	0.434	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	111.8	164	-173.9	176.4	177.5	-174.8	-4.1	107.3	G475 D477 E498 E499 V501	G475-R496 WeakPolarHBondContact O-CD 3.2Å; D477-R496 WeakPolarHBondContact OD1-CA 3.13Å; R496-E498 PolarHBondContact O-N 3.11Å; R496-E499 PolarHBondContact N-O 2.94Å; R496-E499 PolarHBondContact O-N 2.84Å; R496-V501 HydrophobicContact CB-CG1 3.85Å; R496-V501 HydrophobicContact CB-CG2 4.36Å
497	S	94.3	Very high	96.6	Very high	76 Å²	76	35.9 Å²	35.9	53%	0.531	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	-125	-166.4	-45.9	0	0	0	0	109.3	D477 E499	D477-S497 PolarHBondContact OD1-N 3.1Å; D477-S497 PolarHBondContact OD2-N 2.86Å; S497-E499 VanDerWaalsContact C-N 3.35Å; S497-E499 PolarHBondContact O-N 2.98Å
498	E	95.1	Very high	96.5	Very high	108 Å²	108	32.1 Å²	32.1	51%	0.505	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	6.2	-176.2	-63.4	-53.9	123.3	0	0	114.9	R496 K526 K527	R496-E498 PolarHBondContact O-N 3.11Å; E498-K526 CarbonylContact O-C 3.55Å; E498-K526 WeakPolarHBondContact O-CA 3.45Å; E498-K526 VanDerWaalsContact O-CD 3.31Å; E498-K526 WeakPolarHBondContact O-CD 3.38Å; E498-K527 PolarHBondContact O-N 3.31Å
499	E	95.2	Very high	96.2	Very high	81 Å²	81	34.8 Å²	34.8	38%	0.379	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	133.3	-172.6	-54.6	-163.6	147.1	0	0	112.5	T495 R496 S497 V501 T524 K526	T495-E499 CarbonylContact C-O 3.57Å; T495-E499 WeakPolarHBondContact CA-O 3.3Å; R496-E499 PolarHBondContact N-O 2.94Å; R496-E499 PolarHBondContact O-N 2.84Å; S497-E499 VanDerWaalsContact C-N 3.35Å; S497-E499 PolarHBondContact O-N 2.98Å; E499-V501 PolarHBondContact O-N 3.28Å; E499-T524 HydrophobicContact CB-CG2 4.03Å; E499-T524 HydrophobicContact CG-CG2 3.77Å; E499-T524 WeakPolarHBondContact OE1-CG2 2.89Å; E499-K526 HydrophobicContact CG-CD 4.42Å; E499-K526 IonicContact OE1-NZ 3.84Å; E499-K526 PolarHBondContact OE1-NZ 3.28Å
500	V	96.2	Very high	96.1	Very high	6 Å²	6	30.4 Å²	30.4	4%	0.036	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	118.8	167.7	177.9	0	0	0	0	108.7	F493 Y494 T495 A502 I525 V530	F493-V500 HydrophobicContact CB-CG1 4.26Å; F493-V500 HydrophobicContact CB-CG2 4.34Å; F493-V500 HydrophobicContact CD1-CG1 3.93Å; F493-V500 HydrophobicContact CD1-CG2 4.47Å; Y494-V500 WeakPolarHBondContact O-CA 3.04Å; T495-V500 HydrophobicContact CG2-CG2 4.06Å; V500-A502 WeakPolarHBondContact CG1-O 2.99Å; V500-I525 HydrophobicContact CB-CB 3.96Å; V500-I525 HydrophobicContact CB-CG2 4.16Å; V500-I525 HydrophobicContact CG2-CB 4.04Å; V500-I525 HydrophobicContact CG2-CG2 3.68Å; V500-I525 PolarHBondContact N-O 3.43Å; V500-V530 HydrophobicContact CG2-CG1 4.44Å; V500-V530 HydrophobicContact CG2-CG2 3.96Å
501	V	95.3	Very high	96.1	Very high	17 Å²	17	30.6 Å²	30.6	10%	0.103	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	-17.9	-177.1	-67	0	0	0	0	113.3	R421 Y472 F476 Y494 R496 E499	R421-V501 VanDerWaalsContact NH2-CB 3.29Å; Y472-V501 PolarHBondContact N-O 2.72Å; F476-V501 HydrophobicContact CB-CG2 4.34Å; Y494-V501 VanDerWaalsContact O-CG2 3.3Å; Y494-V501 WeakPolarHBondContact O-CG2 3.45Å; Y494-V501 PolarHBondContact O-N 3.07Å; R496-V501 HydrophobicContact CB-CG1 3.85Å; R496-V501 HydrophobicContact CB-CG2 4.36Å; E499-V501 PolarHBondContact O-N 3.28Å
502	A	97.3	Very high	96	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	166.3	173.8	0	0	0	0	0	111.3	Y469 A470 Y494 V500	Y469-A502 HydrophobicContact CE1-CB 3.89Å; Y469-A502 HydrophobicContact CE2-CB 4Å; Y469-A502 WeakPolarHBondContact OH-CB 3.44Å; A470-A502 CarbonylContact O-C 3.48Å; A470-A502 WeakPolarHBondContact O-CA 3.41Å; A470-A502 WeakPolarHBondContact O-CB 3.44Å; Y494-A502 HydrophobicContact CD2-CB 4.06Å; Y494-A502 HydrophobicContact CG-CB 4.45Å; Y494-A502 PolarHBondContact N-O 2.86Å; Y494-A502 PolarHBondContact O-N 2.7Å; V500-A502 WeakPolarHBondContact CG1-O 2.99Å
503	V	98.1	Very high	96	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	144.3	172.5	64.5	0	0	0	0	109.8	Y469 A470 V491 A492 F493 V512 V515	Y469-V503 CarbonylContact C-O 3.54Å; Y469-V503 VanDerWaalsContact CA-O 3.24Å; Y469-V503 WeakPolarHBondContact CA-O 3.16Å; A470-V503 HydrophobicContact CB-CG1 4.11Å; A470-V503 PolarHBondContact N-O 3.16Å; A470-V503 PolarHBondContact O-N 2.68Å; V491-V503 HydrophobicContact CG1-CG2 3.42Å; V491-V503 VanDerWaalsContact CG1-CG2 3.42Å; A492-V503 CarbonylContact O-C 3.42Å; A492-V503 VanDerWaalsContact O-CA 3.29Å; A492-V503 WeakPolarHBondContact O-CA 3.4Å; F493-V503 HydrophobicContact CD1-CB 4.21Å; F493-V503 HydrophobicContact CD1-CG2 3.88Å; F493-V503 HydrophobicContact CE1-CB 4.47Å; F493-V503 HydrophobicContact CE1-CG2 3.9Å; F493-V503 HydrophobicContact CG-CG2 4.48Å; F493-V503 HydrophobicContact CZ-CG2 4.49Å; V503-V512 HydrophobicContact CG1-CB 4.36Å; V503-V512 HydrophobicContact CG1-CG1 4.14Å; V503-V512 HydrophobicContact CG1-CG2 4.2Å; V503-V512 HydrophobicContact CG2-CG2 4.48Å; V503-V515 HydrophobicContact CB-CB 4.43Å; V503-V515 HydrophobicContact CB-CG1 4.02Å; V503-V515 HydrophobicContact CB-CG2 4.49Å; V503-V515 HydrophobicContact CG1-CB 3.65Å; V503-V515 HydrophobicContact CG1-CG1 3.49Å; V503-V515 VanDerWaalsContact CG1-CG1 3.49Å; V503-V515 HydrophobicContact CG1-CG2 4.13Å; V503-V515 HydrophobicContact CG2-CG2 4.48Å
504	A	98.3	Very high	95.8	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	154.1	162.2	0	0	0	0	0	110.7	L317 I467 R468 Y469 V491 A492 Y494	L317-A504 HydrophobicContact CD2-CB 4.26Å; I467-A504 HydrophobicContact CD1-CB 4.19Å; I467-A504 HydrophobicContact CG1-CB 4.25Å; R468-A504 CarbonylContact O-C 3.52Å; R468-A504 WeakPolarHBondContact O-CA 3.41Å; Y469-A504 HydrophobicContact CD2-CB 3.98Å; V491-A504 CarbonylContact C-O 3.47Å; V491-A504 WeakPolarHBondContact CA-O 3.44Å; A492-A504 HydrophobicContact CB-CB 4.44Å; A492-A504 PolarHBondContact N-O 3.24Å; A492-A504 PolarHBondContact O-N 2.78Å; Y494-A504 HydrophobicContact CE2-CB 3.72Å
505	S	97.7	Very high	95.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	156.6	167	80.5	0	0	0	0	112.5	I467 R468 F490 V512	I467-S505 WeakPolarHBondContact CA-O 3.26Å; R468-S505 PolarHBondContact N-O 3.47Å; R468-S505 PolarHBondContact O-N 2.83Å; F490-S505 VanDerWaalsContact O-CA 3.26Å; F490-S505 WeakPolarHBondContact O-CA 3.4Å; F490-S505 VanDerWaalsContact O-CB 3.3Å; F490-S505 WeakPolarHBondContact O-CB 3.5Å; S505-V512 WeakPolarHBondContact OG-CG2 3.3Å
506	M	97.4	Very high	95.7	Very high	5 Å²	5	33.2 Å²	33.2	3%	0.025	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	130.8	167.6	-168.7	169.9	-70.9	0	0	108.5	K465 I467 L488 R489 F490 Y508	K465-M506 HydrophobicContact CB-CE 4.49Å; K465-M506 HydrophobicContact CB-CG 4.39Å; K465-M506 HydrophobicContact CB-SD 3.84Å; K465-M506 HydrophobicContact CD-SD 4.1Å; I467-M506 HydrophobicContact CB-CE 3.79Å; L488-M506 HydrophobicContact CB-CG 4.46Å; L488-M506 HydrophobicContact CB-SD 3.85Å; L488-M506 HydrophobicContact CD1-SD 4.45Å; L488-M506 HydrophobicContact CD2-SD 4.16Å; L488-M506 HydrophobicContact CG-SD 4.4Å; L488-M506 CarbonylContact O-C 3.57Å; R489-M506 WeakPolarHBondContact CA-O 3.4Å; F490-M506 HydrophobicContact CD1-CB 4.22Å; F490-M506 HydrophobicContact CE1-CB 3.69Å; F490-M506 HydrophobicContact CZ-CB 3.99Å; F490-M506 PolarHBondContact N-O 3.35Å; F490-M506 VanDerWaalsContact N-O 3.11Å; F490-M506 PolarHBondContact O-N 2.84Å; M506-Y508 PolarHBondContact O-N 2.75Å; M506-Y508 VanDerWaalsContact O-N 3.1Å
507	N	94.3	Very high	95.6	Very high	67 Å²	67	28.4 Å²	28.4	36%	0.358	15%	0.147	S	C	.	.	S	Bend	trans	51.1	31.3	-177.9	-56.4	-42.3	0	0	0	115.1	L488	L488-N507 PolarHBondContact O-ND2 2.87Å
508	Y	94	Very high	95.6	Very high	51 Å²	51	25.7 Å²	25.7	20%	0.2	13%	0.127	C	C	.	.			trans	-130.3	43.6	-177.9	-145	-73.8	0	0	0	111.2	R489 V491 M506 I511 I535 I539	R489-Y508 HydrophobicContact CG-CD2 4.14Å; V491-Y508 HydrophobicContact CG2-CD1 3.36Å; V491-Y508 HydrophobicContact CG2-CD2 3.89Å; V491-Y508 HydrophobicContact CG2-CE1 3.79Å; V491-Y508 HydrophobicContact CG2-CE2 4.26Å; V491-Y508 HydrophobicContact CG2-CG 3.42Å; V491-Y508 VanDerWaalsContact CG2-CG 3.42Å; M506-Y508 PolarHBondContact O-N 2.75Å; M506-Y508 VanDerWaalsContact O-N 3.1Å; Y508-I511 HydrophobicContact CD1-CB 4.14Å; Y508-I511 HydrophobicContact CD1-CG2 4.03Å; Y508-I511 WeakPolarHBondContact O-CB 3.36Å; Y508-I511 WeakPolarHBondContact O-CG2 3.41Å; Y508-I511 PolarHBondContact O-N 2.99Å; Y508-I535 HydrophobicContact CE1-CD1 3.93Å; Y508-I539 HydrophobicContact CE1-CD1 4.39Å
509	D	91.4	Very high	95.4	Very high	67 Å²	67	22.3 Å²	22.3	36%	0.358	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	148.8	-178.9	-65.5	-44.8	0	0	0	112.3	R468	R468-D509 VanDerWaalsContact CD-OD1 3.27Å; R468-D509 WeakPolarHBondContact CD-OD1 3.38Å; R468-D509 IonicContact CZ-OD1 2.7Å; R468-D509 IonicContact CZ-OD2 3.17Å; R468-D509 IonicContact NE-OD1 2.7Å; R468-D509 PolarHBondContact NE-OD1 3.04Å; R468-D509 IonicContact NE-OD2 3.92Å; R468-D509 IonicContact NH1-OD1 2.75Å; R468-D509 PolarHBondContact NH1-OD1 3Å; R468-D509 IonicContact NH1-OD2 3.93Å; R468-D509 PolarHBondContact NH1-OD2 2.86Å; R468-D509 IonicContact NH2-OD1 3.35Å; R468-D509 IonicContact NH2-OD2 3.93Å; R468-D509 PolarHBondContact NH2-OD2 2.71Å
510	P	94.3	Very high	95.2	Very high	46 Å²	46	21 Å²	21	30%	0.299	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	cis	-101.5	31	2.8	39.2	-35.1	0	0	0	113.8	K63 V65 P74 V512 S513 R514	K63-P510 WeakPolarHBondContact O-CB 3.38Å; V65-P510 HydrophobicContact CG2-CB 4.15Å; V65-P510 HydrophobicContact CG2-CG 4.17Å; P74-P510 HydrophobicContact CB-CB 4.03Å; P510-V512 VanDerWaalsContact C-N 3.28Å; P510-V512 PolarHBondContact O-N 3.41Å; P510-V512 VanDerWaalsContact O-N 3.09Å; P510-S513 WeakPolarHBondContact O-CB 3.4Å; P510-S513 PolarHBondContact O-N 3.27Å; P510-R514 PolarHBondContact O-N 3.34Å; P510-R514 VanDerWaalsContact O-N 3.13Å
511	I	95.4	Very high	94.8	Very high	4 Å²	4	22.4 Å²	22.4	2%	0.021	13%	0.131	C	C	.	.	H	α-helix	trans	-52.7	-39.1	-167.5	-167.1	60	0	0	0	114.5	V491 Y508 S513 R514 V515 I535 L538 I539	V491-I511 HydrophobicContact CG1-CG1 4.13Å; V491-I511 HydrophobicContact CG1-CG2 3.98Å; V491-I511 HydrophobicContact CG2-CB 4.43Å; V491-I511 HydrophobicContact CG2-CG1 4.22Å; V491-I511 HydrophobicContact CG2-CG2 3.73Å; Y508-I511 HydrophobicContact CD1-CB 4.14Å; Y508-I511 HydrophobicContact CD1-CG2 4.03Å; Y508-I511 WeakPolarHBondContact O-CB 3.36Å; Y508-I511 WeakPolarHBondContact O-CG2 3.41Å; Y508-I511 PolarHBondContact O-N 2.99Å; I511-S513 VanDerWaalsContact C-N 3.34Å; I511-S513 PolarHBondContact O-N 2.94Å; I511-R514 WeakPolarHBondContact O-CB 3.35Å; I511-R514 PolarHBondContact O-N 2.76Å; I511-R514 VanDerWaalsContact O-N 3.09Å; I511-V515 HydrophobicContact CG1-CG2 4.43Å; I511-V515 WeakPolarHBondContact O-CG2 3Å; I511-V515 PolarHBondContact O-N 3.19Å; I511-I535 HydrophobicContact CD1-CD1 4.21Å; I511-I535 HydrophobicContact CG1-CD1 4.43Å; I511-L538 HydrophobicContact CD1-CB 3.64Å; I511-L538 HydrophobicContact CD1-CD1 4.3Å; I511-I539 HydrophobicContact CD1-CG1 4.16Å
512	V	97.2	Very high	94.4	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-65.9	-39.2	-178.7	175.5	0	0	0	0	110.9	Y457 R468 A470 V503 S505 P510 R514 A516	Y457-V512 HydrophobicContact CD2-CG1 4.43Å; Y457-V512 HydrophobicContact CE1-CG1 4.36Å; Y457-V512 HydrophobicContact CE2-CB 4.47Å; Y457-V512 HydrophobicContact CE2-CG1 3.62Å; R468-V512 HydrophobicContact CB-CB 4.18Å; R468-V512 HydrophobicContact CB-CG1 4.13Å; R468-V512 HydrophobicContact CB-CG2 4.05Å; A470-V512 HydrophobicContact CB-CG1 3.57Å; V503-V512 HydrophobicContact CG1-CB 4.36Å; V503-V512 HydrophobicContact CG1-CG1 4.14Å; V503-V512 HydrophobicContact CG1-CG2 4.2Å; V503-V512 HydrophobicContact CG2-CG2 4.48Å; S505-V512 WeakPolarHBondContact OG-CG2 3.3Å; P510-V512 VanDerWaalsContact C-N 3.28Å; P510-V512 PolarHBondContact O-N 3.41Å; P510-V512 VanDerWaalsContact O-N 3.09Å; V512-R514 VanDerWaalsContact C-N 3.33Å; V512-A516 WeakPolarHBondContact O-CB 3.26Å; V512-A516 PolarHBondContact O-N 2.77Å
513	S	96.6	Very high	94	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-66.6	-35.9	172.5	-68.5	0	0	0	0	111.8	C73 Y457 P510 I511 A516 E517	C73-S513 PolarHBondContact O-OG 3.24Å; Y457-S513 PolarHBondContact OH-OG 2.77Å; Y457-S513 VanDerWaalsContact OH-OG 3.07Å; P510-S513 WeakPolarHBondContact O-CB 3.4Å; P510-S513 PolarHBondContact O-N 3.27Å; I511-S513 VanDerWaalsContact C-N 3.34Å; I511-S513 PolarHBondContact O-N 2.94Å; S513-A516 WeakPolarHBondContact O-CB 3.43Å; S513-A516 PolarHBondContact O-N 3.42Å; S513-E517 WeakPolarHBondContact O-CG 3.35Å; S513-E517 PolarHBondContact O-N 3.4Å
514	R	95.2	Very high	93.6	Very high	54 Å²	54	34.1 Å²	34.1	20%	0.204	21%	0.205	C	C	.	.	H	α-helix	trans	-68.8	-43	178.8	-142	-78.2	-158.4	159.5	14.5	111.7	V65 P510 I511 V512 A516 E517 V518 W537 L538 D540	V65-R514 HydrophobicContact CG1-CG 4.21Å; V65-R514 HydrophobicContact CG2-CB 4.14Å; V65-R514 HydrophobicContact CG2-CG 4.26Å; P510-R514 PolarHBondContact O-N 3.34Å; P510-R514 VanDerWaalsContact O-N 3.13Å; I511-R514 WeakPolarHBondContact O-CB 3.35Å; I511-R514 PolarHBondContact O-N 2.76Å; I511-R514 VanDerWaalsContact O-N 3.09Å; V512-R514 VanDerWaalsContact C-N 3.33Å; R514-A516 VanDerWaalsContact C-N 3.34Å; R514-E517 WeakPolarHBondContact O-CB 3.42Å; R514-E517 PolarHBondContact O-N 2.75Å; R514-V518 WeakPolarHBondContact O-CG2 3.3Å; R514-V518 PolarHBondContact O-N 2.84Å; R514-V518 VanDerWaalsContact O-N 3.14Å; R514-W537 PolarHBondContact NH1-O 2.87Å; R514-W537 PolarHBondContact NH2-O 3.34Å; R514-L538 WeakPolarHBondContact CD-O 3.28Å; R514-L538 WeakPolarHBondContact CG-O 3.31Å; R514-L538 VanDerWaalsContact CZ-O 3.3Å; R514-L538 VanDerWaalsContact NE-C 3.34Å; R514-L538 PolarHBondContact NE-O 2.96Å; R514-D540 PolarHBondContact NH2-O 3.29Å
515	V	95.5	Very high	93.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-65.2	-38.8	172.9	172.4	0	0	0	0	111	F493 V503 I511 E517 V518 L519 I525 L538	F493-V515 HydrophobicContact CE1-CG2 3.92Å; V503-V515 HydrophobicContact CB-CB 4.43Å; V503-V515 HydrophobicContact CB-CG1 4.02Å; V503-V515 HydrophobicContact CB-CG2 4.49Å; V503-V515 HydrophobicContact CG1-CB 3.65Å; V503-V515 HydrophobicContact CG1-CG1 3.49Å; V503-V515 VanDerWaalsContact CG1-CG1 3.49Å; V503-V515 HydrophobicContact CG1-CG2 4.13Å; V503-V515 HydrophobicContact CG2-CG2 4.48Å; I511-V515 HydrophobicContact CG1-CG2 4.43Å; I511-V515 WeakPolarHBondContact O-CG2 3Å; I511-V515 PolarHBondContact O-N 3.19Å; V515-E517 VanDerWaalsContact C-N 3.28Å; V515-E517 PolarHBondContact O-N 2.74Å; V515-V518 PolarHBondContact O-N 3.09Å; V515-V518 VanDerWaalsContact O-N 3.13Å; V515-L519 HydrophobicContact CG1-CD1 3.99Å; V515-L519 HydrophobicContact CG1-CG 4.14Å; V515-L519 WeakPolarHBondContact O-CG 3.46Å; V515-L519 PolarHBondContact O-N 3.3Å; V515-I525 HydrophobicContact CG1-CD1 3.89Å; V515-I525 HydrophobicContact CG2-CD1 4.36Å; V515-L538 HydrophobicContact CG2-CD1 4.01Å; V515-L538 HydrophobicContact CG2-CD2 4.12Å
516	A	95.5	Very high	93.3	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-58.8	-39.3	174.3	0	0	0	0	0	112.1	V455 Y457 A470 V512 S513 R514 G520	V455-A516 HydrophobicContact CB-CB 4.4Å; V455-A516 HydrophobicContact CG1-CB 4.24Å; V455-A516 WeakPolarHBondContact CG2-O 3.45Å; Y457-A516 HydrophobicContact CD2-CB 4.19Å; Y457-A516 HydrophobicContact CE2-CB 4.31Å; A470-A516 HydrophobicContact CB-CB 3.84Å; V512-A516 WeakPolarHBondContact O-CB 3.26Å; V512-A516 PolarHBondContact O-N 2.77Å; S513-A516 WeakPolarHBondContact O-CB 3.43Å; S513-A516 PolarHBondContact O-N 3.42Å; R514-A516 VanDerWaalsContact C-N 3.34Å; A516-G520 PolarHBondContact O-N 3.2Å
517	E	93.8	Very high	93.2	Very high	14 Å²	14	38.7 Å²	38.7	7%	0.065	23%	0.225	C	C	.	.	H	α-helix	trans	-64.4	-41.3	173.3	-72.3	-56.3	128.8	0	0	112.9	V65 S67 H70 R72 S513 R514 V515 G520 S521	V65-E517 HydrophobicContact CB-CG 4.49Å; V65-E517 HydrophobicContact CG1-CG 3.91Å; S67-E517 WeakPolarHBondContact CB-OE2 3.27Å; S67-E517 PolarHBondContact OG-OE2 2.9Å; H70-E517 IonicContact CD2-OE1 3.56Å; H70-E517 IonicContact CE1-OE1 3.23Å; H70-E517 IonicContact CE1-OE2 2.79Å; H70-E517 PolarHBondContact CE1-OE2 3.33Å; H70-E517 VanDerWaalsContact CE1-OE2 3.23Å; H70-E517 IonicContact NE2-OE1 2.95Å; H70-E517 PolarHBondContact NE2-OE1 2.71Å; H70-E517 IonicContact NE2-OE2 2.71Å; H70-E517 PolarHBondContact NE2-OE2 2.78Å; R72-E517 IonicContact CZ-OE1 3.38Å; R72-E517 VanDerWaalsContact CZ-OE1 3.24Å; R72-E517 IonicContact NE-OE1 2.77Å; R72-E517 PolarHBondContact NE-OE1 2.69Å; R72-E517 IonicContact NH2-OE1 2.67Å; R72-E517 PolarHBondContact NH2-OE1 3.03Å; S513-E517 WeakPolarHBondContact O-CG 3.35Å; S513-E517 PolarHBondContact O-N 3.4Å; R514-E517 WeakPolarHBondContact O-CB 3.42Å; R514-E517 PolarHBondContact O-N 2.75Å; V515-E517 VanDerWaalsContact C-N 3.28Å; V515-E517 PolarHBondContact O-N 2.74Å; E517-G520 PolarHBondContact O-N 2.99Å; E517-S521 WeakPolarHBondContact O-CB 3.28Å; E517-S521 PolarHBondContact O-N 2.79Å
518	V	93.1	Very high	93.1	Very high	19 Å²	19	43.4 Å²	43.4	12%	0.115	24%	0.237	C	C	.	.	H	α-helix	trans	-63.2	-50.3	176.2	177.9	0	0	0	0	110.5	R514 V515 G520 S521 K523 I525 L538	R514-V518 WeakPolarHBondContact O-CG2 3.3Å; R514-V518 PolarHBondContact O-N 2.84Å; R514-V518 VanDerWaalsContact O-N 3.14Å; V515-V518 PolarHBondContact O-N 3.09Å; V515-V518 VanDerWaalsContact O-N 3.13Å; V518-G520 VanDerWaalsContact C-N 3.35Å; V518-G520 PolarHBondContact O-N 2.95Å; V518-S521 WeakPolarHBondContact O-CB 3.3Å; V518-S521 PolarHBondContact O-N 3.16Å; V518-S521 VanDerWaalsContact O-N 3.13Å; V518-S521 PolarHBondContact O-OG 3.48Å; V518-K523 HydrophobicContact CG1-CB 3.91Å; V518-K523 PolarHBondContact O-N 2.81Å; V518-I525 HydrophobicContact CB-CD1 4.22Å; V518-I525 HydrophobicContact CG1-CD1 3.89Å; V518-I525 HydrophobicContact CG1-CG1 3.65Å; V518-L538 HydrophobicContact CG2-CD2 3.97Å
519	L	91.6	Very high	93	Very high	38 Å²	38	43.5 Å²	43.5	20%	0.199	24%	0.241	C	C	.	.	H	α-helix	trans	-61.4	-43.1	177.7	-66.3	178	0	0	0	111.7	V455 V515 S521 G522	V455-L519 HydrophobicContact CG1-CB 4.42Å; V455-L519 HydrophobicContact CG1-CD1 4.26Å; V455-L519 HydrophobicContact CG2-CB 3.99Å; V515-L519 HydrophobicContact CG1-CD1 3.99Å; V515-L519 HydrophobicContact CG1-CG 4.14Å; V515-L519 WeakPolarHBondContact O-CG 3.46Å; V515-L519 PolarHBondContact O-N 3.3Å; L519-S521 PolarHBondContact O-N 3.44Å; L519-G522 PolarHBondContact O-N 2.89Å
520	G	90.5	Very high	93.1	Very high	52 Å²	52	40.3 Å²	40.3	54%	0.536	22%	0.224	S	C	.	.	H	α-helix	trans	-65.8	-21.9	177.9	0	0	0	0	0	113.4	A516 E517 V518 G522	A516-G520 PolarHBondContact O-N 3.2Å; E517-G520 PolarHBondContact O-N 2.99Å; V518-G520 VanDerWaalsContact C-N 3.35Å; V518-G520 PolarHBondContact O-N 2.95Å; G520-G522 PolarHBondContact O-N 3.06Å
521	S	88.8	Confident	92.9	Very high	37 Å²	37	42.9 Å²	42.9	26%	0.259	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-6.6	173.4	79.3	0	0	0	0	114.3	K68 E517 V518 L519 K523	K68-S521 VanDerWaalsContact NZ-CB 3.28Å; E517-S521 WeakPolarHBondContact O-CB 3.28Å; E517-S521 PolarHBondContact O-N 2.79Å; V518-S521 WeakPolarHBondContact O-CB 3.3Å; V518-S521 PolarHBondContact O-N 3.16Å; V518-S521 VanDerWaalsContact O-N 3.13Å; V518-S521 PolarHBondContact O-OG 3.48Å; L519-S521 PolarHBondContact O-N 3.44Å; S521-K523 VanDerWaalsContact C-N 3.26Å; S521-K523 WeakPolarHBondContact OG-CG 3.32Å; S521-K523 PolarHBondContact OG-N 2.72Å
522	G	87.4	Confident	92.1	Very high	66 Å²	66	47.9 Å²	47.9	68%	0.68	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.2	3.4	-173.8	0	0	0	0	0	113.9	L519 G520	L519-G522 PolarHBondContact O-N 2.89Å; G520-G522 PolarHBondContact O-N 3.06Å
523	K	88.6	Confident	90.8	Very high	124 Å²	124	49.5 Å²	49.5	54%	0.539	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-77	134.4	174.3	-71	-178.5	179.1	-175.1	0	110	V518 S521	V518-K523 HydrophobicContact CG1-CB 3.91Å; V518-K523 PolarHBondContact O-N 2.81Å; S521-K523 VanDerWaalsContact C-N 3.26Å; S521-K523 WeakPolarHBondContact OG-CG 3.32Å; S521-K523 PolarHBondContact OG-N 2.72Å
524	T	89.8	Confident	90	Very high	72 Å²	72	53.9 Å²	53.9	44%	0.442	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-87.2	132.5	172	-56.4	0	0	0	0	109.9	E499 K526	E499-T524 HydrophobicContact CB-CG2 4.03Å; E499-T524 HydrophobicContact CG-CG2 3.77Å; E499-T524 WeakPolarHBondContact OE1-CG2 2.89Å; T524-K526 HydrophobicContact CG2-CD 3.96Å
525	I	94.2	Very high	89.4	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.005	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-92.8	125.5	166	-54.3	175.4	0	0	0	107.2	V500 V515 V518 V530 W537 L538	V500-I525 HydrophobicContact CB-CB 3.96Å; V500-I525 HydrophobicContact CB-CG2 4.16Å; V500-I525 HydrophobicContact CG2-CB 4.04Å; V500-I525 HydrophobicContact CG2-CG2 3.68Å; V500-I525 PolarHBondContact N-O 3.43Å; V515-I525 HydrophobicContact CG1-CD1 3.89Å; V515-I525 HydrophobicContact CG2-CD1 4.36Å; V518-I525 HydrophobicContact CB-CD1 4.22Å; V518-I525 HydrophobicContact CG1-CD1 3.89Å; V518-I525 HydrophobicContact CG1-CG1 3.65Å; I525-V530 HydrophobicContact CG2-CG1 3.84Å; I525-W537 HydrophobicContact CB-CH2 4.32Å; I525-W537 HydrophobicContact CD1-CH2 4.08Å; I525-W537 HydrophobicContact CG1-CH2 3.9Å; I525-W537 HydrophobicContact CG2-CH2 3.69Å; I525-W537 HydrophobicContact CG2-CZ2 3.94Å; I525-L538 HydrophobicContact CD1-CD2 4.17Å
526	K	94.5	Very high	88.6	Confident	66 Å²	66	53.7 Å²	53.7	29%	0.287	31%	0.31	S	S	.	.	B	Isolated β-bridge	trans	-88.2	152.2	179.5	-60.7	-64.7	-176.7	179.9	0	110.9	E498 E499 T524 R528 D529	E498-K526 CarbonylContact O-C 3.55Å; E498-K526 WeakPolarHBondContact O-CA 3.45Å; E498-K526 VanDerWaalsContact O-CD 3.31Å; E498-K526 WeakPolarHBondContact O-CD 3.38Å; E499-K526 HydrophobicContact CG-CD 4.42Å; E499-K526 IonicContact OE1-NZ 3.84Å; E499-K526 PolarHBondContact OE1-NZ 3.28Å; T524-K526 HydrophobicContact CG2-CD 3.96Å; K526-R528 VanDerWaalsContact C-N 3.32Å; K526-R528 HydrophobicContact CB-CG 4.08Å; K526-R528 PolarHBondContact O-N 2.95Å; K526-D529 WeakPolarHBondContact CA-OD2 3.31Å; K526-D529 VanDerWaalsContact CB-OD2 3.31Å; K526-D529 WeakPolarHBondContact CB-OD2 3.37Å; K526-D529 PolarHBondContact N-OD2 3.13Å; K526-D529 WeakPolarHBondContact O-CB 3.5Å; K526-D529 PolarHBondContact O-N 2.82Å
527	K	95.3	Very high	87.8	Confident	34 Å²	34	58 Å²	58	15%	0.148	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-49.4	178.4	-179.6	176.2	-170.8	-173.9	0	111.6	D478 I480 T495 E498 D529 V530 E531	D478-K527 WeakPolarHBondContact OD2-CE 3.48Å; D478-K527 IonicContact OD2-NZ 3.22Å; D478-K527 PolarHBondContact OD2-NZ 3.5Å; I480-K527 HydrophobicContact CG1-CG 4.42Å; T495-K527 HydrophobicContact CG2-CB 4.11Å; T495-K527 HydrophobicContact CG2-CD 4.44Å; T495-K527 HydrophobicContact CG2-CG 4.02Å; E498-K527 PolarHBondContact O-N 3.31Å; K527-D529 PolarHBondContact O-N 2.87Å; K527-D529 VanDerWaalsContact O-N 3.08Å; K527-V530 WeakPolarHBondContact O-CG2 3.46Å; K527-V530 PolarHBondContact O-N 2.65Å; K527-E531 WeakPolarHBondContact CE-OE1 3Å; K527-E531 HydrophobicContact CG-CG 4.2Å; K527-E531 WeakPolarHBondContact CG-OE1 3.1Å; K527-E531 IonicContact NZ-OE1 3.58Å; K527-E531 WeakPolarHBondContact O-CG 3.44Å; K527-E531 PolarHBondContact O-N 2.97Å
528	R	93.4	Very high	87.1	Confident	167 Å²	167	57.3 Å²	57.3	63%	0.63	32%	0.323	S	S	*	.	H	α-helix	trans	-53.8	-28.8	176.2	72	-176.6	-174	179.2	0.1	114.6	K526 V530	K526-R528 VanDerWaalsContact C-N 3.32Å; K526-R528 HydrophobicContact CB-CG 4.08Å; K526-R528 PolarHBondContact O-N 2.95Å; R528-V530 VanDerWaalsContact C-N 3.25Å; R528-V530 PolarHBondContact O-N 3.33Å
529	D	90.9	Very high	85.8	Confident	52 Å²	52	60.5 Å²	60.5	28%	0.278	34%	0.338	S	S	.	.	H	α-helix	trans	-76.6	-15.6	-176.6	-50.8	-29.1	0	0	0	112.1	K526 K527 W537	K526-D529 WeakPolarHBondContact CA-OD2 3.31Å; K526-D529 VanDerWaalsContact CB-OD2 3.31Å; K526-D529 WeakPolarHBondContact CB-OD2 3.37Å; K526-D529 PolarHBondContact N-OD2 3.13Å; K526-D529 WeakPolarHBondContact O-CB 3.5Å; K526-D529 PolarHBondContact O-N 2.82Å; K527-D529 PolarHBondContact O-N 2.87Å; K527-D529 VanDerWaalsContact O-N 3.08Å; D529-W537 HydrophobicContact CB-CZ2 4.05Å; D529-W537 PolarHBondContact O-NE1 3.19Å
530	V	93.4	Very high	84.1	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-116.3	-3.5	-179.6	-61.4	0	0	0	0	113	I480 Q482 F493 V500 I525 K527 R528 W537	I480-V530 HydrophobicContact CB-CG2 4.33Å; I480-V530 HydrophobicContact CG1-CG2 4.43Å; I480-V530 HydrophobicContact CG2-CG2 4.33Å; I480-V530 VanDerWaalsContact CG2-O 3.3Å; I480-V530 WeakPolarHBondContact CG2-O 3.44Å; Q482-V530 PolarHBondContact NE2-O 3.39Å; F493-V530 HydrophobicContact CB-CG2 3.99Å; F493-V530 HydrophobicContact CD1-CB 4.49Å; F493-V530 HydrophobicContact CD1-CG1 3.96Å; F493-V530 HydrophobicContact CD2-CB 3.83Å; F493-V530 HydrophobicContact CD2-CG1 4.07Å; F493-V530 HydrophobicContact CD2-CG2 4.21Å; F493-V530 HydrophobicContact CE1-CG1 3.91Å; F493-V530 HydrophobicContact CE2-CB 4.1Å; F493-V530 HydrophobicContact CE2-CG1 4.04Å; F493-V530 HydrophobicContact CG-CB 4.04Å; F493-V530 HydrophobicContact CG-CG1 4.02Å; F493-V530 HydrophobicContact CG-CG2 4.04Å; F493-V530 HydrophobicContact CZ-CG1 3.95Å; V500-V530 HydrophobicContact CG2-CG1 4.44Å; V500-V530 HydrophobicContact CG2-CG2 3.96Å; I525-V530 HydrophobicContact CG2-CG1 3.84Å; K527-V530 WeakPolarHBondContact O-CG2 3.46Å; K527-V530 PolarHBondContact O-N 2.65Å; R528-V530 VanDerWaalsContact C-N 3.25Å; R528-V530 PolarHBondContact O-N 3.33Å; V530-W537 HydrophobicContact CG1-CZ2 4.39Å
531	E	89.8	Confident	82.2	Confident	100 Å²	100	69 Å²	69	47%	0.467	36%	0.364	S	S	.	.	H	α-helix	trans	-78.6	-30.6	175.2	-78.3	176.2	155.1	0	0	112.9	I480 K527 G533	I480-E531 HydrophobicContact CD1-CG 4.07Å; I480-E531 HydrophobicContact CG1-CG 4.27Å; I480-E531 HydrophobicContact CG2-CG 4.36Å; K527-E531 WeakPolarHBondContact CE-OE1 3Å; K527-E531 HydrophobicContact CG-CG 4.2Å; K527-E531 WeakPolarHBondContact CG-OE1 3.1Å; K527-E531 IonicContact NZ-OE1 3.58Å; K527-E531 WeakPolarHBondContact O-CG 3.44Å; K527-E531 PolarHBondContact O-N 2.97Å; E531-G533 PolarHBondContact O-N 2.59Å
532	T	78.6	Confident	79.9	Confident	109 Å²	109	70.1 Å²	70.1	67%	0.669	38%	0.381	S	S	*	.	S	Bend	trans	-73.9	-9.6	-171.6	57.2	0	0	0	0	114.6	D534	T532-D534 VanDerWaalsContact C-N 3.26Å; T532-D534 PolarHBondContact O-N 2.89Å
533	G	70.7	Confident	77.2	Confident	35 Å²	35	72 Å²	72	36%	0.361	38%	0.383	S	S	.	.	S	Bend	trans	91.7	-30.1	-175.8	0	0	0	0	0	114.4	Q482 E531 I535	Q482-G533 VanDerWaalsContact NE2-CA 3.33Å; E531-G533 PolarHBondContact O-N 2.59Å; G533-I535 PolarHBondContact O-N 2.97Å
534	D	79.8	Confident	74.6	Confident	92 Å²	92	78.1 Å²	78.1	49%	0.492	41%	0.413	S	S	.	.			trans	-84.1	98.6	-177.2	-173.8	12.3	0	0	0	111.7	T532 S536 W537	T532-D534 VanDerWaalsContact C-N 3.26Å; T532-D534 PolarHBondContact O-N 2.89Å; D534-S536 WeakPolarHBondContact OD1-CB 3.35Å; D534-S536 PolarHBondContact OD1-N 3.45Å; D534-S536 PolarHBondContact OD1-OG 2.9Å; D534-S536 PolarHBondContact OD2-OG 2.8Å; D534-W537 PolarHBondContact O-NE1 2.84Å; D534-W537 VanDerWaalsContact O-CD1 3.24Å
535	I	82.8	Confident	73.9	Confident	7 Å²	7	78.4 Å²	78.4	4%	0.036	41%	0.412	C	S	.	.			trans	-105.1	18.3	171.5	62.8	167.7	0	0	0	111.7	Q482 V491 F493 Y508 I511 G533 W537 L538 I539	Q482-I535 HydrophobicContact CG-CG2 4.29Å; V491-I535 HydrophobicContact CG2-CD1 4.32Å; F493-I535 HydrophobicContact CE2-CG2 4.14Å; F493-I535 HydrophobicContact CZ-CG2 4.18Å; Y508-I535 HydrophobicContact CE1-CD1 3.93Å; I511-I535 HydrophobicContact CD1-CD1 4.21Å; I511-I535 HydrophobicContact CG1-CD1 4.43Å; G533-I535 PolarHBondContact O-N 2.97Å; I535-W537 PolarHBondContact O-N 3.39Å; I535-L538 HydrophobicContact CB-CB 4.34Å; I535-L538 HydrophobicContact CB-CD1 4.34Å; I535-L538 HydrophobicContact CG2-CD1 4.42Å; I535-L538 CarbonylContact O-C 3.57Å; I535-L538 VanDerWaalsContact O-CA 3.3Å; I535-L538 WeakPolarHBondContact O-CA 3.42Å; I535-L538 VanDerWaalsContact O-CB 3.27Å; I535-L538 WeakPolarHBondContact O-CB 3.21Å; I535-L538 PolarHBondContact O-N 2.92Å; I535-I539 HydrophobicContact CG1-CD1 4.01Å; I535-I539 PolarHBondContact O-N 2.63Å; I535-I539 WeakPolarHBondContact O-CG1 3.31Å; I535-I539 HydrophobicContact CD1-CD1 4.21Å
536	S	77.8	Confident	72.8	Confident	42 Å²	42	82.5 Å²	82.5	29%	0.294	43%	0.433	S	S	.	.	G	3₁₀ helix	trans	-58.1	-36.2	176.1	61.9	0	0	0	0	111.5	D534 L538 I539 D540	D534-S536 WeakPolarHBondContact OD1-CB 3.35Å; D534-S536 PolarHBondContact OD1-N 3.45Å; D534-S536 PolarHBondContact OD1-OG 2.9Å; D534-S536 PolarHBondContact OD2-OG 2.8Å; S536-L538 PolarHBondContact O-N 2.8Å; S536-L538 VanDerWaalsContact O-N 3.09Å; S536-I539 CarbonylContact O-C 3.58Å; S536-I539 WeakPolarHBondContact O-CA 3.42Å; S536-I539 PolarHBondContact O-N 3.01Å; S536-D540 WeakPolarHBondContact O-CB 3.44Å; S536-D540 PolarHBondContact O-N 3.06Å
537	W	79.9	Confident	71.6	Confident	91 Å²	91	83.4 Å²	83.4	35%	0.345	44%	0.441	S	S	.	.	G	3₁₀ helix	trans	-61.8	-18.7	172.8	71.4	-92.6	0	0	0	113.3	R514 I525 D529 V530 D534 I535	R514-W537 PolarHBondContact NH1-O 2.87Å; R514-W537 PolarHBondContact NH2-O 3.34Å; I525-W537 HydrophobicContact CB-CH2 4.32Å; I525-W537 HydrophobicContact CD1-CH2 4.08Å; I525-W537 HydrophobicContact CG1-CH2 3.9Å; I525-W537 HydrophobicContact CG2-CH2 3.69Å; I525-W537 HydrophobicContact CG2-CZ2 3.94Å; D529-W537 HydrophobicContact CB-CZ2 4.05Å; D529-W537 PolarHBondContact O-NE1 3.19Å; V530-W537 HydrophobicContact CG1-CZ2 4.39Å; D534-W537 PolarHBondContact O-NE1 2.84Å; D534-W537 VanDerWaalsContact O-CD1 3.24Å; I535-W537 PolarHBondContact O-N 3.39Å
538	L	78.3	Confident	70.2	Confident	0 Å²	0	86.3 Å²	86.3	0%	0	46%	0.459	C	S	.	.	G	3₁₀ helix	trans	-90.3	-7	169.5	-76.4	172.5	0	0	0	114.2	F493 I511 R514 V515 V518 I525 I535 S536	F493-L538 HydrophobicContact CE1-CD1 3.88Å; F493-L538 HydrophobicContact CZ-CD1 3.8Å; I511-L538 HydrophobicContact CD1-CB 3.64Å; I511-L538 HydrophobicContact CD1-CD1 4.3Å; R514-L538 WeakPolarHBondContact CD-O 3.28Å; R514-L538 WeakPolarHBondContact CG-O 3.31Å; R514-L538 VanDerWaalsContact CZ-O 3.3Å; R514-L538 VanDerWaalsContact NE-C 3.34Å; R514-L538 PolarHBondContact NE-O 2.96Å; V515-L538 HydrophobicContact CG2-CD1 4.01Å; V515-L538 HydrophobicContact CG2-CD2 4.12Å; V518-L538 HydrophobicContact CG2-CD2 3.97Å; I525-L538 HydrophobicContact CD1-CD2 4.17Å; I535-L538 HydrophobicContact CB-CB 4.34Å; I535-L538 HydrophobicContact CB-CD1 4.34Å; I535-L538 HydrophobicContact CG2-CD1 4.42Å; I535-L538 CarbonylContact O-C 3.57Å; I535-L538 VanDerWaalsContact O-CA 3.3Å; I535-L538 WeakPolarHBondContact O-CA 3.42Å; I535-L538 VanDerWaalsContact O-CB 3.27Å; I535-L538 WeakPolarHBondContact O-CB 3.21Å; I535-L538 PolarHBondContact O-N 2.92Å; S536-L538 PolarHBondContact O-N 2.8Å; S536-L538 VanDerWaalsContact O-N 3.09Å
539	I	65.5	Low	68.8	Low	85 Å²	85	81.3 Å²	81.3	44%	0.436	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.1	-32.9	-174.2	-63.4	170.1	0	0	0	110.8	Y508 I511 I535 S536 K541	Y508-I539 HydrophobicContact CE1-CD1 4.39Å; I511-I539 HydrophobicContact CD1-CG1 4.16Å; I535-I539 HydrophobicContact CG1-CD1 4.01Å; I535-I539 PolarHBondContact O-N 2.63Å; I535-I539 WeakPolarHBondContact O-CG1 3.31Å; I535-I539 HydrophobicContact CD1-CD1 4.21Å; S536-I539 CarbonylContact O-C 3.58Å; S536-I539 WeakPolarHBondContact O-CA 3.42Å; S536-I539 PolarHBondContact O-N 3.01Å; I539-K541 PolarHBondContact O-N 3.5Å
540	D	55.6	Low	67.3	Low	100 Å²	100	83.2 Å²	83.2	54%	0.535	46%	0.459	S	S	.	.			trans	-65.6	133.2	-175	-79.9	-19.6	0	0	0	111.9	R514 S536 G542	R514-D540 PolarHBondContact NH2-O 3.29Å; S536-D540 WeakPolarHBondContact O-CB 3.44Å; S536-D540 PolarHBondContact O-N 3.06Å; D540-G542 VanDerWaalsContact C-N 3.3Å; D540-G542 PolarHBondContact O-N 2.89Å
541	K	51.6	Low	65.4	Low	170 Å²	170	89.1 Å²	89.1	74%	0.739	49%	0.492	S	S	*	.	S	Bend	trans	-85.4	9.2	-170.5	-71.2	-173.9	175.9	-179.7	0	114.1	I539	I539-K541 PolarHBondContact O-N 3.5Å
542	G	40.2	Very low	63.6	Low	59 Å²	59	88.3 Å²	88.3	61%	0.608	49%	0.494	S	S	*	.			trans	-167.6	108.4	-173.9	0	0	0	0	0	113.5	D540	D540-G542 VanDerWaalsContact C-N 3.3Å; D540-G542 PolarHBondContact O-N 2.89Å
543	S	31.1	Very low	62.3	Low	105 Å²	105	86.6 Å²	86.6	73%	0.734	48%	0.479	S	S	*	.			trans	166.4	89.5	137.8	36.9	0	0	0	0	107.8
544	H	34.5	Very low	61.5	Low	253 Å²	253	91.3 Å²	91.3	100%	1.171	49%	0.49	S	S	*	.			trans	-173.8	0	140.8	-82.1	-40.2	0	0	0	109.2

Retrieved 544 of 544 residues in 345.3 ms (Link to these results)

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