A0A087X0W8_HUMAN Loading...

RELA proto-oncogene, NF-kB subunit

AlphaFold DB , UniProt , Accession A0A087X0W8, Species HUMAN (Homo sapiens, Human), Gene RELA, Length 448 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	40.1	Very low	42.2	Very low	221 Å²	221	151.7 Å²	151.7	100%	1.089	81%	0.805	S	S	*	*				0	86.8	0	177.7	-168.9	-77.5	0	0	104.3
2	D	36.7	Very low	42.6	Very low	156 Å²	156	154.1 Å²	154.1	83%	0.834	81%	0.808	S	S	*	*			trans	-121.8	94.3	-158.7	-60.1	-93.2	0	0	0	106.6	L4	D2-L4 PolarHBondContact O-N 3.37Å; D2-L4 VanDerWaalsContact O-N 3.11Å
3	E	41.3	Very low	42.7	Very low	162 Å²	162	151.2 Å²	151.2	76%	0.757	80%	0.804	S	S	*	*			trans	-74.1	103.6	-178.3	-69.5	-154.7	140.1	0	0	110.3	F5	E3-F5 HydrophobicContact CB-CD2 4.44Å; E3-F5 HydrophobicContact CB-CE2 4.28Å; E3-F5 PolarHBondContact O-N 3.17Å
4	L	43.9	Very low	42.9	Very low	170 Å²	170	147.3 Å²	147.3	89%	0.89	80%	0.804	S	S	*	*			trans	-73.8	87.1	173.3	-165.1	79	0	0	0	109.4	D2 P6	D2-L4 PolarHBondContact O-N 3.37Å; D2-L4 VanDerWaalsContact O-N 3.11Å; L4-P6 WeakPolarHBondContact O-CD 3.31Å
5	F	41.7	Very low	43.4	Very low	167 Å²	167	149.9 Å²	149.9	73%	0.732	81%	0.808	S	S	*	*			trans	-60.5	119.7	172.3	-86	-92.3	0	0	0	110.2	E3 L7	E3-F5 HydrophobicContact CB-CD2 4.44Å; E3-F5 HydrophobicContact CB-CE2 4.28Å; E3-F5 PolarHBondContact O-N 3.17Å; F5-L7 PolarHBondContact O-N 3.26Å
6	P	41.8	Very low	43.8	Very low	105 Å²	105	145.1 Å²	145.1	68%	0.682	80%	0.795	S	S	*	*			trans	-70.4	125.7	175	28.3	-32.3	0	0	0	109.5	L4 I8	L4-P6 WeakPolarHBondContact O-CD 3.31Å; P6-I8 VanDerWaalsContact C-N 3.35Å; P6-I8 PolarHBondContact O-N 2.7Å
7	L	41.3	Very low	45.2	Very low	152 Å²	152	144.5 Å²	144.5	80%	0.796	80%	0.804	S	S	*	*			trans	-67.2	94.9	169.4	-70.1	173.9	0	0	0	109	F5 F9	F5-L7 PolarHBondContact O-N 3.26Å; L7-F9 VanDerWaalsContact C-N 3.32Å; L7-F9 WeakPolarHBondContact O-CD2 3.36Å; L7-F9 PolarHBondContact O-N 3.09Å
8	I	45.3	Very low	47.4	Very low	152 Å²	152	138.5 Å²	138.5	78%	0.779	78%	0.78	S	S	*	*			trans	-69.2	94.7	169	-58.6	173.4	0	0	0	107	P6	P6-I8 VanDerWaalsContact C-N 3.35Å; P6-I8 PolarHBondContact O-N 2.7Å
9	F	45.9	Very low	49.7	Very low	172 Å²	172	132.8 Å²	132.8	75%	0.754	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-57	128.6	161.1	-68.6	-87.2	0	0	0	107.7	L7 A11	L7-F9 VanDerWaalsContact C-N 3.32Å; L7-F9 WeakPolarHBondContact O-CD2 3.36Å; L7-F9 PolarHBondContact O-N 3.09Å; F9-A11 PolarHBondContact O-N 3.38Å; F9-A11 VanDerWaalsContact O-N 3.12Å
10	P	42.7	Very low	52	Low	119 Å²	119	131.3 Å²	131.3	77%	0.773	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-59.7	122.3	172	25.2	-32	0	0	0	107.7	E12	P10-E12 PolarHBondContact O-N 2.81Å
11	A	43.6	Very low	54.2	Low	93 Å²	93	125.6 Å²	125.6	77%	0.769	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-56	131.9	177.8	0	0	0	0	0	109.2	F9	F9-A11 PolarHBondContact O-N 3.38Å; F9-A11 VanDerWaalsContact O-N 3.12Å
12	E	46.9	Very low	56.9	Low	180 Å²	180	117.6 Å²	117.6	84%	0.841	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-48.8	131.4	169.6	-168.2	173.2	-159.9	0	0	108.4	P10 A14	P10-E12 PolarHBondContact O-N 2.81Å; E12-A14 PolarHBondContact O-N 3.06Å
13	P	43.8	Very low	59.8	Low	117 Å²	117	111.6 Å²	111.6	76%	0.76	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-57.7	117.6	-170.4	22.1	-33.2	0	0	0	109.3	Q15	P13-Q15 PolarHBondContact O-N 2.93Å; P13-Q15 VanDerWaalsContact O-N 3.11Å
14	A	45.2	Very low	62.5	Low	96 Å²	96	106.8 Å²	106.8	79%	0.793	61%	0.607	S	S	*	*	P	Polyproline II helix	trans	-49.4	121.6	-175	0	0	0	0	0	109.8	E12 A16	E12-A14 PolarHBondContact O-N 3.06Å; A14-A16 PolarHBondContact O-N 2.86Å
15	Q	50.5	Low	65.1	Low	187 Å²	187	99.4 Å²	99.4	87%	0.874	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-51.2	118.9	179.1	-73.1	-177.1	-12.6	0	0	108.7	P13 S17	P13-Q15 PolarHBondContact O-N 2.93Å; P13-Q15 VanDerWaalsContact O-N 3.11Å; Q15-S17 PolarHBondContact O-N 2.92Å
16	A	50.9	Low	67.8	Low	72 Å²	72	92.8 Å²	92.8	60%	0.595	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-54.4	127.8	-177.8	0	0	0	0	0	109.1	A14 G18	A14-A16 PolarHBondContact O-N 2.86Å; A16-G18 PolarHBondContact O-N 2.85Å
17	S	67.4	Low	70.5	Confident	136 Å²	136	87.8 Å²	87.8	95%	0.951	51%	0.507	S	S	*	.	S	Bend	trans	-78.1	44.4	-169.6	70.9	0	0	0	0	113.3	Q15	Q15-S17 PolarHBondContact O-N 2.92Å
18	G	83.5	Confident	73.1	Confident	36 Å²	36	83.6 Å²	83.6	37%	0.371	48%	0.482	S	S	.	.	S	Bend	trans	-170.5	169.4	-176.2	0	0	0	0	0	111.9	A16	A16-G18 PolarHBondContact O-N 2.85Å
19	P	92.5	Very high	75.6	Confident	31 Å²	31	79.4 Å²	79.4	20%	0.201	46%	0.459	C	S	.	.			trans	-65.5	145.6	-177.6	26	-34	0	0	0	112.7	N64 V165 L173 L175	P19-N64 WeakPolarHBondContact CA-O 3.43Å; P19-N64 VanDerWaalsContact CB-O 3.32Å; P19-N64 WeakPolarHBondContact CB-O 3.29Å; P19-V165 HydrophobicContact CG-CG2 4.1Å; P19-L173 HydrophobicContact CG-CD2 3.87Å; P19-L175 HydrophobicContact CB-CD1 4.45Å; P19-L175 HydrophobicContact CB-CD2 4.32Å; P19-L175 HydrophobicContact CG-CD2 3.95Å; P19-L175 WeakPolarHBondContact O-CD2 3.38Å
20	Y	94.9	Very high	77.9	Confident	102 Å²	102	72 Å²	72	40%	0.4	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	161.4	179.6	69.9	-89	0	0	0	111.5	E22 N64	Y20-E22 HydrophobicContact CE2-CB 4.43Å; Y20-N64 HydrophobicContact CD1-CB 3.81Å; Y20-N64 HydrophobicContact CD2-CB 4.29Å; Y20-N64 HydrophobicContact CE1-CB 3.42Å; Y20-N64 VanDerWaalsContact CE1-CB 3.42Å; Y20-N64 HydrophobicContact CE2-CB 3.95Å; Y20-N64 WeakPolarHBondContact CE2-ND2 3.26Å; Y20-N64 HydrophobicContact CG-CB 4.22Å; Y20-N64 VanDerWaalsContact CZ-CB 3.49Å; Y20-N64 PolarHBondContact N-O 3.03Å; Y20-N64 VanDerWaalsContact N-O 3.14Å; Y20-N64 PolarHBondContact O-N 2.98Å; Y20-N64 PolarHBondContact OH-ND2 3.27Å
21	V	97.3	Very high	80.1	Confident	12 Å²	12	67.6 Å²	67.6	7%	0.073	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	137.6	178.5	-173.1	0	0	0	0	109.4	I61 K62 V163 L175 V178	V21-I61 HydrophobicContact CG1-CB 3.89Å; V21-I61 HydrophobicContact CG1-CD1 3.96Å; V21-I61 HydrophobicContact CG1-CG1 4.34Å; V21-I61 HydrophobicContact CG1-CG2 4.18Å; V21-K62 WeakPolarHBondContact CA-O 3.38Å; V21-V163 HydrophobicContact CG1-CG2 4.44Å; V21-V163 HydrophobicContact CG2-CB 3.65Å; V21-V163 HydrophobicContact CG2-CG1 4.26Å; V21-V163 HydrophobicContact CG2-CG2 3.56Å; V21-L175 HydrophobicContact CG2-CB 4.35Å; V21-L175 HydrophobicContact CG2-CD1 3.8Å; V21-V178 HydrophobicContact CB-CG2 3.92Å; V21-V178 HydrophobicContact CG1-CG2 4.47Å
22	E	97.5	Very high	82.4	Confident	53 Å²	53	64.1 Å²	64.1	25%	0.248	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	147.2	167.2	71.1	-171.4	-166.9	0	0	109.9	Y20 I24 I61 K62 N64	Y20-E22 HydrophobicContact CE2-CB 4.43Å; E22-I24 HydrophobicContact CG-CG2 3.79Å; E22-I24 WeakPolarHBondContact OE1-CG2 3.11Å; E22-I61 CarbonylContact O-C 3.48Å; E22-I61 VanDerWaalsContact O-CA 3.22Å; E22-I61 WeakPolarHBondContact O-CA 3.2Å; E22-I61 WeakPolarHBondContact O-CB 3.44Å; E22-K62 HydrophobicContact CG-CB 3.74Å; E22-K62 HydrophobicContact CG-CG 4.28Å; E22-K62 PolarHBondContact N-O 2.97Å; E22-K62 PolarHBondContact O-N 3.34Å; E22-K62 WeakPolarHBondContact OE1-CB 3.37Å; E22-K62 VanDerWaalsContact OE1-CD 3.29Å; E22-K62 WeakPolarHBondContact OE1-CD 3.33Å; E22-K62 WeakPolarHBondContact OE1-CG 3.34Å; E22-K62 IonicContact OE1-NZ 2.68Å; E22-K62 PolarHBondContact OE1-NZ 2.84Å; E22-K62 IonicContact OE2-NZ 3.06Å; E22-N64 PolarHBondContact OE2-ND2 2.89Å
23	I	98.5	Very high	84.7	Confident	29 Å²	29	61.2 Å²	61.2	15%	0.149	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	115.7	171.3	-58	172.3	0	0	0	107.3	E25 Q26 I61 F161 V178 L179	I23-E25 WeakPolarHBondContact CG2-O 3.42Å; I23-Q26 HydrophobicContact CG2-CG 4.08Å; I23-I61 HydrophobicContact CG1-CG2 4.15Å; I23-F161 HydrophobicContact CD1-CD2 3.85Å; I23-F161 HydrophobicContact CD1-CE2 3.68Å; I23-F161 HydrophobicContact CG1-CD2 4.17Å; I23-F161 HydrophobicContact CG1-CE2 4.1Å; I23-V178 HydrophobicContact CD1-CG1 3.9Å; I23-V178 HydrophobicContact CG1-CG1 3.98Å; I23-L179 WeakPolarHBondContact CD1-O 3.27Å
24	I	98.1	Very high	87.2	Confident	62 Å²	62	56 Å²	56	32%	0.318	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	-24.1	-179.2	66.3	171.4	0	0	0	112.8	E22 R50 T60 K62 I110	E22-I24 HydrophobicContact CG-CG2 3.79Å; E22-I24 WeakPolarHBondContact OE1-CG2 3.11Å; I24-R50 PolarHBondContact O-NH2 3.15Å; I24-T60 HydrophobicContact CD1-CG2 3.72Å; I24-T60 HydrophobicContact CG1-CG2 3.68Å; I24-T60 WeakPolarHBondContact CG1-O 3.43Å; I24-T60 PolarHBondContact N-O 3.03Å; I24-K62 HydrophobicContact CD1-CB 4.49Å; I24-K62 HydrophobicContact CG2-CB 3.71Å; I24-I110 HydrophobicContact CD1-CD1 4.28Å; I24-I110 HydrophobicContact CD1-CG1 4.37Å; I24-I110 HydrophobicContact CD1-CG2 3.69Å
25	E	98.3	Very high	89.6	Confident	14 Å²	14	53.4 Å²	53.4	7%	0.065	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	108.2	169.6	-178.3	84.5	-160.1	0	0	106.8	I23 G48 E49 R50 T57 H58 P59 T60	I23-E25 WeakPolarHBondContact CG2-O 3.42Å; E25-G48 WeakPolarHBondContact OE1-CA 3.39Å; E25-E49 PolarHBondContact OE1-N 3.21Å; E25-R50 WeakPolarHBondContact OE1-CB 3.29Å; E25-R50 PolarHBondContact OE1-N 2.89Å; E25-R50 IonicContact OE1-NE 3.76Å; E25-R50 IonicContact OE2-CZ 3.41Å; E25-R50 IonicContact OE2-NE 3.32Å; E25-R50 PolarHBondContact OE2-NE 2.89Å; E25-R50 IonicContact OE2-NH2 2.68Å; E25-R50 PolarHBondContact OE2-NH2 2.85Å; E25-T57 WeakPolarHBondContact OE1-CB 3.44Å; E25-T57 PolarHBondContact OE1-OG1 3.3Å; E25-H58 VanDerWaalsContact CG-O 3.29Å; E25-H58 WeakPolarHBondContact CG-O 3.32Å; E25-P59 WeakPolarHBondContact O-CA 3.33Å; E25-T60 PolarHBondContact N-O 2.88Å; E25-T60 VanDerWaalsContact N-O 3.15Å; E25-T60 PolarHBondContact O-N 3.13Å
26	Q	98.6	Very high	91.7	Very high	28 Å²	28	49 Å²	49	13%	0.131	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-66.7	158.8	173.6	-70.1	-76.8	7.2	0	0	110.2	I23 G48 E49 S180 H181	I23-Q26 HydrophobicContact CG2-CG 4.08Å; Q26-G48 CarbonylContact O-C 3.51Å; Q26-G48 WeakPolarHBondContact O-CA 3.34Å; Q26-E49 HydrophobicContact CB-CB 4.1Å; Q26-E49 WeakPolarHBondContact O-CB 3.43Å; Q26-E49 PolarHBondContact O-N 3.19Å; Q26-S180 VanDerWaalsContact OE1-CA 3.28Å; Q26-H181 PolarHBondContact NE2-CD2 3.36Å; Q26-H181 PolarHBondContact NE2-NE2 2.98Å
27	P	98.1	Very high	93.7	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-66.2	148.4	165.5	30.4	-34.6	0	0	0	110.7	Q29 I46 P47 P59 L159 I183	P27-Q29 PolarHBondContact O-N 2.79Å; P27-I46 HydrophobicContact CB-CG2 3.63Å; P27-P47 WeakPolarHBondContact CA-O 3.42Å; P27-P59 HydrophobicContact CB-CG 3.95Å; P27-L159 HydrophobicContact CB-CD1 4.34Å; P27-L159 HydrophobicContact CG-CD1 4.25Å; P27-I183 HydrophobicContact CB-CD1 3.58Å; P27-I183 HydrophobicContact CB-CG1 3.81Å; P27-I183 HydrophobicContact CG-CD1 3.8Å; P27-I183 HydrophobicContact CG-CG1 3.73Å
28	K	96.4	Very high	94.8	Very high	65 Å²	65	51.1 Å²	51.1	28%	0.283	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-62.8	123.6	170	-159.3	-174.6	-178.5	-161	0	108.8	R30 P47 E193	K28-R30 VanDerWaalsContact C-N 3.33Å; K28-R30 WeakPolarHBondContact CD-O 3.32Å; K28-R30 PolarHBondContact O-N 3.18Å; K28-P47 HydrophobicContact CB-CG 3.84Å; K28-P47 HydrophobicContact CD-CG 4.47Å; K28-P47 PolarHBondContact N-O 2.72Å; K28-E193 IonicContact NZ-OE1 3.74Å; K28-E193 PolarHBondContact NZ-OE1 2.88Å
29	Q	96.1	Very high	95.2	Very high	64 Å²	64	52.6 Å²	52.6	30%	0.299	25%	0.249	S	C	.	.	S	Bend	trans	-69.4	-29.8	-173.1	-60.6	-172.4	67.9	0	0	112.9	P27 H181 P182 F184	P27-Q29 PolarHBondContact O-N 2.79Å; Q29-H181 HydrophobicContact CG-CB 3.86Å; Q29-P182 WeakPolarHBondContact CA-O 3.13Å; Q29-P182 VanDerWaalsContact CB-O 3.28Å; Q29-P182 WeakPolarHBondContact CB-O 3.29Å; Q29-P182 VanDerWaalsContact CG-O 3.31Å; Q29-P182 WeakPolarHBondContact CG-O 3.46Å; Q29-F184 HydrophobicContact CB-CD2 4.46Å; Q29-F184 WeakPolarHBondContact O-CD2 3.44Å; Q29-F184 PolarHBondContact O-N 3.14Å
30	R	94.2	Very high	94.5	Very high	17 Å²	17	54.8 Å²	54.8	6%	0.064	28%	0.277	C	S	.	.	S	Bend	trans	-137	176	-177.5	-55.2	-165.2	-161.8	-111.1	10.7	112.9	K28 M32 F184 T191 E193 D277 E279	K28-R30 VanDerWaalsContact C-N 3.33Å; K28-R30 WeakPolarHBondContact CD-O 3.32Å; K28-R30 PolarHBondContact O-N 3.18Å; R30-M32 PolarHBondContact O-N 3.26Å; R30-F184 HydrophobicContact CG-CB 4.28Å; R30-F184 HydrophobicContact CG-CD2 4.05Å; R30-T191 PolarHBondContact NH1-O 2.68Å; R30-E193 HydrophobicContact CB-CB 4.18Å; R30-D277 IonicContact CZ-OD2 2.81Å; R30-D277 IonicContact NH1-OD2 2.69Å; R30-D277 PolarHBondContact NH1-OD2 2.83Å; R30-D277 VanDerWaalsContact NH1-OD2 3.15Å; R30-D277 IonicContact NH2-OD1 3Å; R30-D277 IonicContact NH2-OD2 3.72Å; R30-D277 PolarHBondContact NH2-OD2 2.83Å; R30-E279 VanDerWaalsContact CD-OE1 3.25Å; R30-E279 WeakPolarHBondContact CD-OE1 3.47Å; R30-E279 IonicContact CZ-OE2 3.83Å; R30-E279 IonicContact NE-OE1 3.64Å; R30-E279 PolarHBondContact NE-OE1 3.44Å; R30-E279 IonicContact NE-OE2 2.71Å; R30-E279 PolarHBondContact NE-OE2 2.98Å; R30-E279 IonicContact NH2-OE2 3.66Å; R30-E279 PolarHBondContact NH2-OE2 3.4Å
31	G	90.2	Very high	93.6	Very high	26 Å²	26	59.8 Å²	59.8	27%	0.268	30%	0.295	S	S	.	.	S	Bend	trans	87.3	-29.8	-178.4	0	0	0	0	0	113.8	N186 E193	G31-N186 WeakPolarHBondContact CA-ND2 3.16Å; G31-N186 PolarHBondContact O-ND2 2.81Å; G31-E193 WeakPolarHBondContact CA-OE2 3.24Å
32	M	92.1	Very high	92.9	Very high	19 Å²	19	64.2 Å²	64.2	9%	0.094	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-73.4	135.6	172	-169.9	176.1	-152.5	0	0	111.5	R30 S45 I46 N186	R30-M32 PolarHBondContact O-N 3.26Å; M32-S45 VanDerWaalsContact CE-C 3.48Å; M32-S45 WeakPolarHBondContact CE-O 3.48Å; M32-I46 HydrophobicContact CE-CB 4.34Å; M32-I46 HydrophobicContact CE-CG1 3.79Å; M32-I46 HydrophobicContact SD-CB 4.13Å; M32-I46 HydrophobicContact SD-CG1 3.63Å; M32-I46 HydrophobicContact SD-CG2 4.47Å; M32-N186 WeakPolarHBondContact O-CB 3.45Å; M32-N186 PolarHBondContact O-N 2.93Å
33	R	94.3	Very high	92.2	Very high	120 Å²	120	62.2 Å²	62.2	45%	0.453	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-101.5	141.4	167.9	56.7	167	163.1	161	-9.2	111.6	E39 D185 N186	R33-E39 IonicContact NH1-OE2 3.87Å; R33-D185 VanDerWaalsContact CA-OD1 3.29Å; R33-D185 WeakPolarHBondContact CA-OD1 3.41Å; R33-N186 HydrophobicContact CB-CB 4.46Å
34	F	96	Very high	91.7	Very high	7 Å²	7	62.5 Å²	62.5	3%	0.031	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-78	155.1	170.3	-53.5	-18.1	0	0	0	109.8	H88 I118 C120 V157 I183 D185	F34-H88 AromaticContact CD2-CD2 3.7Å; F34-H88 AromaticContact CD2-NE2 3.78Å; F34-H88 AromaticContact CE2-CD2 4Å; F34-I118 HydrophobicContact CB-CG2 4.12Å; F34-I118 HydrophobicContact CD1-CB 3.7Å; F34-I118 HydrophobicContact CD1-CD1 3.88Å; F34-I118 HydrophobicContact CD1-CG1 4.41Å; F34-I118 HydrophobicContact CD1-CG2 3.63Å; F34-I118 HydrophobicContact CD2-CG2 3.99Å; F34-I118 HydrophobicContact CE1-CB 4.15Å; F34-I118 HydrophobicContact CE1-CD1 3.43Å; F34-I118 VanDerWaalsContact CE1-CD1 3.43Å; F34-I118 HydrophobicContact CE1-CG1 4.39Å; F34-I118 HydrophobicContact CE1-CG2 4.04Å; F34-I118 HydrophobicContact CE2-CG2 4.34Å; F34-I118 HydrophobicContact CG-CB 4.15Å; F34-I118 HydrophobicContact CG-CG2 3.63Å; F34-I118 HydrophobicContact CZ-CD1 4.09Å; F34-I118 HydrophobicContact CZ-CG2 4.37Å; F34-C120 HydrophobicContact CB-CB 3.77Å; F34-V157 HydrophobicContact CE2-CG1 4.22Å; F34-V157 HydrophobicContact CZ-CG1 4.46Å; F34-V157 HydrophobicContact CZ-CG2 3.96Å; F34-I183 HydrophobicContact CE1-CG2 3.94Å; F34-I183 HydrophobicContact CZ-CG2 4.33Å; F34-D185 HydrophobicContact CD1-CB 4.44Å; F34-D185 HydrophobicContact CD2-CB 3.61Å; F34-D185 HydrophobicContact CE2-CB 3.76Å; F34-D185 HydrophobicContact CG-CB 3.97Å; F34-D185 HydrophobicContact CZ-CB 4.23Å; F34-D185 PolarHBondContact N-OD1 2.86Å
35	R	95.9	Very high	91.5	Very high	41 Å²	41	61.9 Å²	61.9	16%	0.155	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	136.5	-171.5	-61.6	-56.5	-160.1	110.9	21.8	113	E39 A43 I118 Q119 C120	R35-E39 WeakPolarHBondContact CA-OE1 3.27Å; R35-E39 WeakPolarHBondContact CD-OE2 3.49Å; R35-E39 IonicContact CZ-OE2 3.99Å; R35-E39 IonicContact NE-OE2 3.76Å; R35-E39 IonicContact NH1-OE2 3.72Å; R35-E39 PolarHBondContact NH1-OE2 3.22Å; R35-A43 HydrophobicContact CB-CB 4.21Å; R35-A43 HydrophobicContact CG-CB 4.32Å; R35-A43 WeakPolarHBondContact CG-O 3.24Å; R35-I118 PolarHBondContact N-O 2.7Å; R35-I118 VanDerWaalsContact N-O 3.08Å; R35-Q119 CarbonylContact O-C 3.59Å; R35-Q119 WeakPolarHBondContact O-CA 3.35Å; R35-C120 PolarHBondContact O-N 3.31Å
36	Y	95.3	Very high	91.5	Very high	96 Å²	96	61.3 Å²	61.3	38%	0.376	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	144.3	172.4	-67.5	-74.5	0	0	0	111.2	C38 E39 C120 K122	Y36-C38 PolarHBondContact O-N 2.93Å; Y36-E39 PolarHBondContact N-OE1 2.82Å; Y36-E39 WeakPolarHBondContact O-CB 3.06Å; Y36-E39 PolarHBondContact O-N 3.11Å; Y36-C120 WeakPolarHBondContact CD1-O 3.44Å; Y36-K122 HydrophobicContact CD1-CG 3.72Å; Y36-K122 HydrophobicContact CE1-CB 4.41Å; Y36-K122 HydrophobicContact CE1-CG 3.51Å
37	K	92.1	Very high	91.4	Very high	161 Å²	161	61.4 Å²	61.4	70%	0.7	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-49.6	-34.7	173	-167.6	169.5	-176.2	165.8	0	113.5	E39 Q119	K37-E39 VanDerWaalsContact C-N 3.28Å; K37-E39 PolarHBondContact O-N 3.04Å; K37-Q119 HydrophobicContact CB-CG 4.3Å
38	C	91.6	Very high	91.4	Very high	91 Å²	91	61.4 Å²	61.4	62%	0.615	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-77.7	0.7	180	60.8	0	0	0	0	115.2	Y36 G40	Y36-C38 PolarHBondContact O-N 2.93Å; C38-G40 VanDerWaalsContact C-N 3.29Å
39	E	90.8	Very high	91.4	Very high	67 Å²	67	61.9 Å²	61.9	31%	0.313	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-77.6	-12	174.7	-71.6	-178.1	-116.8	0	0	113.6	R33 R35 Y36 K37 R41	R33-E39 IonicContact NH1-OE2 3.87Å; R35-E39 WeakPolarHBondContact CA-OE1 3.27Å; R35-E39 WeakPolarHBondContact CD-OE2 3.49Å; R35-E39 IonicContact CZ-OE2 3.99Å; R35-E39 IonicContact NE-OE2 3.76Å; R35-E39 IonicContact NH1-OE2 3.72Å; R35-E39 PolarHBondContact NH1-OE2 3.22Å; Y36-E39 PolarHBondContact N-OE1 2.82Å; Y36-E39 WeakPolarHBondContact O-CB 3.06Å; Y36-E39 PolarHBondContact O-N 3.11Å; K37-E39 VanDerWaalsContact C-N 3.28Å; K37-E39 PolarHBondContact O-N 3.04Å; E39-R41 PolarHBondContact O-N 2.75Å
40	G	78.6	Confident	91.4	Very high	76 Å²	76	65.9 Å²	65.9	78%	0.784	35%	0.346	S	S	*	.			trans	66.1	9	173.3	0	0	0	0	0	115.8	C38	C38-G40 VanDerWaalsContact C-N 3.29Å
41	R	76.2	Confident	91.4	Very high	208 Å²	208	66 Å²	66	79%	0.785	35%	0.35	S	S	*	.	S	Bend	trans	-117.8	160.1	176.8	-59.1	-175.2	-171.7	-152.6	1.2	109.7	E39	E39-R41 PolarHBondContact O-N 2.75Å
42	S	83.4	Confident	91.6	Very high	104 Å²	104	68 Å²	68	73%	0.727	36%	0.357	S	S	*	.			trans	-57.6	148.9	168.9	60.5	0	0	0	0	110.5	G44	S42-G44 PolarHBondContact O-N 3.37Å
43	A	82.8	Confident	91.4	Very high	11 Å²	11	74.4 Å²	74.4	9%	0.091	39%	0.391	C	S	.	.			trans	-69.2	-5.6	-174.7	0	0	0	0	0	114.1	R35 V91	R35-A43 HydrophobicContact CB-CB 4.21Å; R35-A43 HydrophobicContact CG-CB 4.32Å; R35-A43 WeakPolarHBondContact CG-O 3.24Å; A43-V91 HydrophobicContact CB-CG2 3.51Å
44	G	87.6	Confident	91.4	Very high	35 Å²	35	75 Å²	75	36%	0.361	41%	0.408	S	S	.	.			trans	83.6	169.8	-167	0	0	0	0	0	111.9	S42 G117	S42-G44 PolarHBondContact O-N 3.37Å; G44-G117 WeakPolarHBondContact O-CA 3.47Å
45	S	93.5	Very high	91.3	Very high	49 Å²	49	78.7 Å²	78.7	34%	0.343	43%	0.432	S	S	.	.			trans	-101.7	134.4	176.3	-57.4	0	0	0	0	110.1	M32 P47 N115 L116	M32-S45 VanDerWaalsContact CE-C 3.48Å; M32-S45 WeakPolarHBondContact CE-O 3.48Å; S45-P47 VanDerWaalsContact O-CD 3.27Å; S45-P47 WeakPolarHBondContact O-CD 3.22Å; S45-N115 WeakPolarHBondContact OG-CA 3.12Å; S45-L116 CarbonylContact C-O 3.49Å; S45-L116 VanDerWaalsContact CA-O 3.24Å; S45-L116 WeakPolarHBondContact CA-O 3.46Å
46	I	97.2	Very high	91.3	Very high	2 Å²	2	82.5 Å²	82.5	1%	0.01	45%	0.45	C	S	.	.			trans	-65.4	115.9	172.4	-62.1	162	0	0	0	107.4	P27 M32 P59 L90 L116 I118 L159 I183	P27-I46 HydrophobicContact CB-CG2 3.63Å; M32-I46 HydrophobicContact CE-CB 4.34Å; M32-I46 HydrophobicContact CE-CG1 3.79Å; M32-I46 HydrophobicContact SD-CB 4.13Å; M32-I46 HydrophobicContact SD-CG1 3.63Å; M32-I46 HydrophobicContact SD-CG2 4.47Å; I46-P59 HydrophobicContact CB-CG 4.26Å; I46-P59 HydrophobicContact CG2-CG 3.68Å; I46-P59 VanDerWaalsContact O-CD 3.26Å; I46-P59 WeakPolarHBondContact O-CD 3.4Å; I46-L90 HydrophobicContact CD1-CD1 4.03Å; I46-L116 HydrophobicContact CD1-CB 3.99Å; I46-L116 WeakPolarHBondContact CG1-O 3.42Å; I46-L116 PolarHBondContact N-O 2.88Å; I46-I118 HydrophobicContact CD1-CD1 4.1Å; I46-I118 HydrophobicContact CD1-CG1 4.08Å; I46-I118 HydrophobicContact CG1-CD1 4.29Å; I46-I118 HydrophobicContact CG1-CG1 4.43Å; I46-L159 HydrophobicContact CD1-CD1 4.44Å; I46-L159 HydrophobicContact CD1-CD2 4.15Å; I46-I183 HydrophobicContact CD1-CD1 4.28Å; I46-I183 HydrophobicContact CG2-CD1 4.01Å
47	P	97.4	Very high	91.4	Very high	30 Å²	30	79.6 Å²	79.6	20%	0.195	44%	0.442	C	S	.	.			trans	-77.2	156.7	175.7	30.6	-29.4	0	0	0	110.5	P27 K28 S45	P27-P47 WeakPolarHBondContact CA-O 3.42Å; K28-P47 HydrophobicContact CB-CG 3.84Å; K28-P47 HydrophobicContact CD-CG 4.47Å; K28-P47 PolarHBondContact N-O 2.72Å; S45-P47 VanDerWaalsContact O-CD 3.27Å; S45-P47 WeakPolarHBondContact O-CD 3.22Å
48	G	97.8	Very high	91.6	Very high	0 Å²	0	73.6 Å²	73.6	0%	0	42%	0.416	C	S	.	.	B	Isolated β-bridge	trans	-71.7	158.4	167.6	0	0	0	0	0	111.9	E25 Q26 R50 S51 T57	E25-G48 WeakPolarHBondContact OE1-CA 3.39Å; Q26-G48 CarbonylContact O-C 3.51Å; Q26-G48 WeakPolarHBondContact O-CA 3.34Å; G48-R50 PolarHBondContact O-N 2.92Å; G48-S51 WeakPolarHBondContact O-CB 3.45Å; G48-S51 PolarHBondContact O-N 2.87Å; G48-T57 WeakPolarHBondContact CA-OG1 3.32Å; G48-T57 PolarHBondContact N-O 2.84Å
49	E	96.3	Very high	92	Very high	76 Å²	76	69.3 Å²	69.3	36%	0.355	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-34.9	-179.6	-177.8	172.1	-122.5	0	0	112.8	E25 Q26 H181	E25-E49 PolarHBondContact OE1-N 3.21Å; Q26-E49 HydrophobicContact CB-CB 4.1Å; Q26-E49 WeakPolarHBondContact O-CB 3.43Å; Q26-E49 PolarHBondContact O-N 3.19Å; E49-H181 IonicContact OE1-CE1 2.88Å; E49-H181 IonicContact OE1-ND1 3.12Å; E49-H181 PolarHBondContact OE1-ND1 3.35Å
50	R	95.8	Very high	92.3	Very high	147 Å²	147	66.8 Å²	66.8	56%	0.555	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	11	177.5	-62.7	176.5	-71.2	-114.7	6.3	113.2	I24 E25 G48 T52	I24-R50 PolarHBondContact O-NH2 3.15Å; E25-R50 WeakPolarHBondContact OE1-CB 3.29Å; E25-R50 PolarHBondContact OE1-N 2.89Å; E25-R50 IonicContact OE1-NE 3.76Å; E25-R50 IonicContact OE2-CZ 3.41Å; E25-R50 IonicContact OE2-NE 3.32Å; E25-R50 PolarHBondContact OE2-NE 2.89Å; E25-R50 IonicContact OE2-NH2 2.68Å; E25-R50 PolarHBondContact OE2-NH2 2.85Å; G48-R50 PolarHBondContact O-N 2.92Å; R50-T52 PolarHBondContact O-N 2.95Å
51	S	95.7	Very high	93.3	Very high	19 Å²	19	63.2 Å²	63.2	13%	0.133	34%	0.339	C	S	.	.			trans	-70.3	123.4	179.3	-177	0	0	0	0	110.5	G48 T57	G48-S51 WeakPolarHBondContact O-CB 3.45Å; G48-S51 PolarHBondContact O-N 2.87Å; S51-T57 VanDerWaalsContact CA-OG1 3.31Å; S51-T57 WeakPolarHBondContact CA-OG1 3.33Å; S51-T57 WeakPolarHBondContact CB-OG1 3.39Å; S51-T57 PolarHBondContact N-OG1 2.87Å
52	T	92.8	Very high	94.3	Very high	68 Å²	68	56 Å²	56	42%	0.417	31%	0.314	S	S	.	.			trans	-101.1	-175.7	175	66.8	0	0	0	0	110.8	R50 T54 T55 K56	R50-T52 PolarHBondContact O-N 2.95Å; T52-T54 PolarHBondContact OG1-N 3.01Å; T52-T54 PolarHBondContact OG1-OG1 3.32Å; T52-T55 PolarHBondContact N-O 3.17Å; T52-T55 PolarHBondContact OG1-N 2.68Å; T52-T55 PolarHBondContact OG1-O 2.69Å; T52-K56 WeakPolarHBondContact O-CD 3.49Å; T52-K56 WeakPolarHBondContact O-CE 3.37Å; T52-K56 PolarHBondContact O-NZ 2.78Å
53	D	89.1	Confident	94.9	Very high	154 Å²	154	51.3 Å²	51.3	82%	0.824	28%	0.281	S	S	*	.	S	Bend	trans	-68.4	-35.9	171.5	-77.3	-38.7	0	0	0	113.2	K56	D53-K56 VanDerWaalsContact O-CE 3.26Å; D53-K56 WeakPolarHBondContact O-CE 3.38Å; D53-K56 PolarHBondContact O-NZ 3.05Å; D53-K56 IonicContact OD1-NZ 3.96Å
54	T	93.3	Very high	95.5	Very high	132 Å²	132	52 Å²	52	81%	0.81	28%	0.282	S	S	*	.	S	Bend	trans	-87.7	-32	-178.9	51.1	0	0	0	0	113.8	T52	T52-T54 PolarHBondContact OG1-N 3.01Å; T52-T54 PolarHBondContact OG1-OG1 3.32Å
55	T	94.9	Very high	95.6	Very high	86 Å²	86	53.9 Å²	53.9	53%	0.528	30%	0.303	S	S	.	.	S	Bend	trans	-124.1	106.3	-174.2	-52.5	0	0	0	0	109.9	T52 T57	T52-T55 PolarHBondContact N-O 3.17Å; T52-T55 PolarHBondContact OG1-N 2.68Å; T52-T55 PolarHBondContact OG1-O 2.69Å; T55-T57 PolarHBondContact O-N 3.18Å
56	K	95.2	Very high	95.5	Very high	121 Å²	121	53.7 Å²	53.7	53%	0.526	29%	0.294	S	S	.	.			trans	-87.7	107.4	-178.7	-56.3	-55.9	177.4	-171.8	0	111.2	T52 D53	T52-K56 WeakPolarHBondContact O-CD 3.49Å; T52-K56 WeakPolarHBondContact O-CE 3.37Å; T52-K56 PolarHBondContact O-NZ 2.78Å; D53-K56 VanDerWaalsContact O-CE 3.26Å; D53-K56 WeakPolarHBondContact O-CE 3.38Å; D53-K56 PolarHBondContact O-NZ 3.05Å; D53-K56 IonicContact OD1-NZ 3.96Å
57	T	97.2	Very high	95.1	Very high	34 Å²	34	58.4 Å²	58.4	21%	0.209	32%	0.323	C	S	.	.			trans	-95.3	166.1	167.7	66.1	0	0	0	0	110	E25 G48 S51 T55	E25-T57 WeakPolarHBondContact OE1-CB 3.44Å; E25-T57 PolarHBondContact OE1-OG1 3.3Å; G48-T57 WeakPolarHBondContact CA-OG1 3.32Å; G48-T57 PolarHBondContact N-O 2.84Å; S51-T57 VanDerWaalsContact CA-OG1 3.31Å; S51-T57 WeakPolarHBondContact CA-OG1 3.33Å; S51-T57 WeakPolarHBondContact CB-OG1 3.39Å; S51-T57 PolarHBondContact N-OG1 2.87Å; T55-T57 PolarHBondContact O-N 3.18Å
58	H	97.8	Very high	94.8	Very high	36 Å²	36	57.6 Å²	57.6	17%	0.167	32%	0.321	C	S	.	.			trans	-142.9	155.2	-176.3	-62.3	89.8	0	0	0	110	E25 T60 Q114	E25-H58 VanDerWaalsContact CG-O 3.29Å; E25-H58 WeakPolarHBondContact CG-O 3.32Å; H58-T60 PolarHBondContact O-N 2.99Å; H58-T60 VanDerWaalsContact O-N 3.16Å; H58-T60 PolarHBondContact O-OG1 2.66Å; H58-Q114 HydrophobicContact CB-CG 4.36Å
59	P	98.1	Very high	94.5	Very high	1 Å²	1	60.2 Å²	60.2	1%	0.006	34%	0.338	C	S	.	.			trans	-48	123.7	175.7	-27.8	35	0	0	0	111.4	E25 P27 I46 F113 L159	E25-P59 WeakPolarHBondContact O-CA 3.33Å; P27-P59 HydrophobicContact CB-CG 3.95Å; I46-P59 HydrophobicContact CB-CG 4.26Å; I46-P59 HydrophobicContact CG2-CG 3.68Å; I46-P59 VanDerWaalsContact O-CD 3.26Å; I46-P59 WeakPolarHBondContact O-CD 3.4Å; P59-F113 WeakPolarHBondContact O-CD2 3.35Å; P59-F113 PolarHBondContact O-N 3.04Å; P59-L159 HydrophobicContact CB-CD1 4.25Å; P59-L159 HydrophobicContact CG-CD1 4.26Å
60	T	98.4	Very high	94.4	Very high	14 Å²	14	57.2 Å²	57.2	9%	0.086	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	130.5	-171.4	-55.6	0	0	0	0	110.2	I24 E25 H58 I110 H111 S112	I24-T60 HydrophobicContact CD1-CG2 3.72Å; I24-T60 HydrophobicContact CG1-CG2 3.68Å; I24-T60 WeakPolarHBondContact CG1-O 3.43Å; I24-T60 PolarHBondContact N-O 3.03Å; E25-T60 PolarHBondContact N-O 2.88Å; E25-T60 VanDerWaalsContact N-O 3.15Å; E25-T60 PolarHBondContact O-N 3.13Å; H58-T60 PolarHBondContact O-N 2.99Å; H58-T60 VanDerWaalsContact O-N 3.16Å; H58-T60 PolarHBondContact O-OG1 2.66Å; T60-I110 HydrophobicContact CG2-CG2 3.62Å; T60-H111 WeakPolarHBondContact CA-O 3.23Å; T60-H111 WeakPolarHBondContact CG2-O 3.31Å; T60-S112 VanDerWaalsContact OG1-CB 3.29Å; T60-S112 WeakPolarHBondContact OG1-CB 3.48Å; T60-S112 PolarHBondContact OG1-OG 3.26Å
61	I	98.2	Very high	94.5	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	156.4	175.1	70.1	-176.6	0	0	0	111.1	V21 E22 I23 V72 I110 H111 F113 F161 V163	V21-I61 HydrophobicContact CG1-CB 3.89Å; V21-I61 HydrophobicContact CG1-CD1 3.96Å; V21-I61 HydrophobicContact CG1-CG1 4.34Å; V21-I61 HydrophobicContact CG1-CG2 4.18Å; E22-I61 CarbonylContact O-C 3.48Å; E22-I61 VanDerWaalsContact O-CA 3.22Å; E22-I61 WeakPolarHBondContact O-CA 3.2Å; E22-I61 WeakPolarHBondContact O-CB 3.44Å; I23-I61 HydrophobicContact CG1-CG2 4.15Å; I61-V72 HydrophobicContact CD1-CG2 4.05Å; I61-I110 WeakPolarHBondContact O-CA 3.48Å; I61-H111 HydrophobicContact CG1-CB 4.29Å; I61-H111 PolarHBondContact N-O 2.74Å; I61-H111 PolarHBondContact O-N 2.86Å; I61-F113 HydrophobicContact CB-CE2 4.41Å; I61-F113 HydrophobicContact CD1-CE2 3.81Å; I61-F113 HydrophobicContact CD1-CZ 3.73Å; I61-F113 HydrophobicContact CG1-CE2 3.73Å; I61-F113 HydrophobicContact CG1-CZ 3.94Å; I61-F113 HydrophobicContact CG2-CE2 4.12Å; I61-F161 HydrophobicContact CD1-CD1 4.26Å; I61-F161 HydrophobicContact CG2-CD1 3.6Å; I61-F161 HydrophobicContact CG2-CD2 4.31Å; I61-F161 HydrophobicContact CG2-CE1 3.7Å; I61-F161 HydrophobicContact CG2-CE2 4.39Å; I61-F161 HydrophobicContact CG2-CG 3.94Å; I61-F161 HydrophobicContact CG2-CZ 4.11Å; I61-V163 HydrophobicContact CD1-CG2 3.97Å
62	K	97.3	Very high	94.6	Very high	56 Å²	56	51.9 Å²	51.9	24%	0.243	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	140.2	166.2	169.5	160.6	153.4	-82.3	0	109.8	V21 E22 I24 N64 C109 I110	V21-K62 WeakPolarHBondContact CA-O 3.38Å; E22-K62 HydrophobicContact CG-CB 3.74Å; E22-K62 HydrophobicContact CG-CG 4.28Å; E22-K62 PolarHBondContact N-O 2.97Å; E22-K62 PolarHBondContact O-N 3.34Å; E22-K62 WeakPolarHBondContact OE1-CB 3.37Å; E22-K62 VanDerWaalsContact OE1-CD 3.29Å; E22-K62 WeakPolarHBondContact OE1-CD 3.33Å; E22-K62 WeakPolarHBondContact OE1-CG 3.34Å; E22-K62 IonicContact OE1-NZ 2.68Å; E22-K62 PolarHBondContact OE1-NZ 2.84Å; E22-K62 IonicContact OE2-NZ 3.06Å; I24-K62 HydrophobicContact CD1-CB 4.49Å; I24-K62 HydrophobicContact CG2-CB 3.71Å; K62-N64 WeakPolarHBondContact CE-OD1 3.34Å; K62-N64 PolarHBondContact NZ-OD1 2.86Å; K62-C109 CarbonylContact C-O 3.54Å; K62-C109 VanDerWaalsContact CA-O 3.24Å; K62-C109 WeakPolarHBondContact CA-O 3.43Å; K62-I110 HydrophobicContact CB-CG1 4.16Å; K62-I110 HydrophobicContact CD-CD1 4.27Å; K62-I110 HydrophobicContact CD-CG1 3.96Å; K62-I110 HydrophobicContact CG-CG1 4.21Å
63	I	96.5	Very high	94.8	Very high	7 Å²	7	50.9 Å²	50.9	4%	0.036	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	115.3	175.2	-55.7	172.1	0	0	0	106.9	Y66 L104 C109 V163 V165 L175	I63-Y66 HydrophobicContact CG2-CD1 4.49Å; I63-L104 HydrophobicContact CD1-CD1 3.47Å; I63-L104 VanDerWaalsContact CD1-CD1 3.47Å; I63-L104 HydrophobicContact CD1-CD2 4.17Å; I63-L104 HydrophobicContact CD1-CG 4.39Å; I63-C109 PolarHBondContact N-O 2.85Å; I63-C109 WeakPolarHBondContact O-CB 3.42Å; I63-V163 HydrophobicContact CD1-CG1 3.93Å; I63-V165 HydrophobicContact CG2-CG1 4.37Å; I63-L175 HydrophobicContact CG2-CD1 4.43Å
64	N	94.8	Very high	95.3	Very high	24 Å²	24	43.6 Å²	43.6	13%	0.128	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	149.9	176.9	-67.3	-66.8	0	0	0	110.4	P19 Y20 E22 K62 Y66	P19-N64 WeakPolarHBondContact CA-O 3.43Å; P19-N64 VanDerWaalsContact CB-O 3.32Å; P19-N64 WeakPolarHBondContact CB-O 3.29Å; Y20-N64 HydrophobicContact CD1-CB 3.81Å; Y20-N64 HydrophobicContact CD2-CB 4.29Å; Y20-N64 HydrophobicContact CE1-CB 3.42Å; Y20-N64 VanDerWaalsContact CE1-CB 3.42Å; Y20-N64 HydrophobicContact CE2-CB 3.95Å; Y20-N64 WeakPolarHBondContact CE2-ND2 3.26Å; Y20-N64 HydrophobicContact CG-CB 4.22Å; Y20-N64 VanDerWaalsContact CZ-CB 3.49Å; Y20-N64 PolarHBondContact N-O 3.03Å; Y20-N64 VanDerWaalsContact N-O 3.14Å; Y20-N64 PolarHBondContact O-N 2.98Å; Y20-N64 PolarHBondContact OH-ND2 3.27Å; E22-N64 PolarHBondContact OE2-ND2 2.89Å; K62-N64 WeakPolarHBondContact CE-OD1 3.34Å; K62-N64 PolarHBondContact NZ-OD1 2.86Å; N64-Y66 PolarHBondContact O-N 3.36Å
65	G	91.4	Very high	95.5	Very high	76 Å²	76	37.3 Å²	37.3	78%	0.784	22%	0.221	S	C	*	.	S	Bend	trans	68.5	8.7	176.6	0	0	0	0	0	115.3
66	Y	91.6	Very high	95.6	Very high	44 Å²	44	33.3 Å²	33.3	17%	0.173	20%	0.197	C	C	.	.			trans	-150.3	139.2	177.3	-175	-100	0	0	0	111.9	I63 N64 G68 P69 V165 R166	I63-Y66 HydrophobicContact CG2-CD1 4.49Å; N64-Y66 PolarHBondContact O-N 3.36Å; Y66-G68 WeakPolarHBondContact CE1-O 3.23Å; Y66-P69 PolarHBondContact OH-O 2.64Å; Y66-V165 HydrophobicContact CD1-CB 3.7Å; Y66-V165 HydrophobicContact CD1-CG1 3.44Å; Y66-V165 VanDerWaalsContact CD1-CG1 3.44Å; Y66-V165 HydrophobicContact CD2-CB 4.11Å; Y66-V165 HydrophobicContact CD2-CG2 4.36Å; Y66-V165 HydrophobicContact CE1-CB 3.63Å; Y66-V165 HydrophobicContact CE1-CG1 3.73Å; Y66-V165 HydrophobicContact CE2-CB 4.07Å; Y66-V165 HydrophobicContact CG-CB 3.93Å; Y66-V165 HydrophobicContact CG-CG1 3.9Å; Y66-V165 HydrophobicContact CG-CG2 4.37Å; Y66-R166 WeakPolarHBondContact CE2-O 3.46Å; Y66-R166 PolarHBondContact OH-N 3.15Å
67	T	88.9	Confident	95.8	Very high	101 Å²	101	27.5 Å²	27.5	62%	0.62	17%	0.172	S	C	*	.			trans	-142	123.5	168.5	-57.9	0	0	0	0	107	P106	T67-P106 VanDerWaalsContact CG2-O 3.27Å; T67-P106 WeakPolarHBondContact CG2-O 3.43Å
68	G	89.9	Confident	95.8	Very high	14 Å²	14	26.5 Å²	26.5	14%	0.144	17%	0.165	C	C	.	.	S	Bend	trans	151.6	-175.6	-171.1	0	0	0	0	0	112.8	Y66 P106	Y66-G68 WeakPolarHBondContact CE1-O 3.23Å; G68-P106 PolarHBondContact N-O 2.96Å
69	P	92.2	Very high	95.7	Very high	55 Å²	55	27.3 Å²	27.3	36%	0.357	17%	0.168	S	C	.	.			trans	-70.2	133.8	-176.7	29.6	-35.6	0	0	0	112.4	Y66 P106	Y66-P69 PolarHBondContact OH-O 2.64Å; P69-P106 HydrophobicContact CB-CG 4.29Å
70	G	94.6	Very high	95.5	Very high	13 Å²	13	31.2 Å²	31.2	13%	0.134	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	-175.9	174.1	0	0	0	0	0	111.8	E103 L104 T164	G70-E103 WeakPolarHBondContact O-CA 3.27Å; G70-L104 PolarHBondContact O-N 2.84Å; G70-T164 CarbonylContact C-O 3.55Å; G70-T164 WeakPolarHBondContact CA-O 3.39Å
71	T	96.9	Very high	95.2	Very high	53 Å²	53	35.4 Å²	35.4	33%	0.325	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	150	171.6	60.4	0	0	0	0	110.8	A102 E103 V163 T164	T71-A102 WeakPolarHBondContact CA-O 3.34Å; T71-E103 HydrophobicContact CG2-CG 4.35Å; T71-V163 WeakPolarHBondContact O-CA 3.25Å; T71-T164 PolarHBondContact N-O 3.06Å; T71-T164 PolarHBondContact O-N 2.84Å
72	V	97.4	Very high	95	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.006	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	130.5	171	56.8	0	0	0	0	109.5	I61 I74 Y100 E101 A102 L104 F113 V163	I61-V72 HydrophobicContact CD1-CG2 4.05Å; V72-I74 HydrophobicContact CG2-CG1 4.1Å; V72-Y100 HydrophobicContact CG1-CE1 4.24Å; V72-E101 WeakPolarHBondContact O-CA 3.26Å; V72-A102 PolarHBondContact N-O 3.24Å; V72-A102 PolarHBondContact O-N 2.84Å; V72-L104 HydrophobicContact CB-CD1 4.45Å; V72-L104 HydrophobicContact CB-CD2 3.9Å; V72-L104 HydrophobicContact CB-CG 4.25Å; V72-L104 HydrophobicContact CG1-CD2 3.55Å; V72-L104 HydrophobicContact CG1-CG 4.1Å; V72-F113 HydrophobicContact CG1-CE1 3.76Å; V72-F113 HydrophobicContact CG1-CZ 3.99Å; V72-F113 HydrophobicContact CG2-CE1 4.42Å; V72-F113 HydrophobicContact CG2-CZ 4Å; V72-V163 HydrophobicContact CB-CG2 4.13Å; V72-V163 HydrophobicContact CG2-CG2 3.89Å
73	R	97.6	Very high	94.9	Very high	47 Å²	47	37 Å²	37	18%	0.177	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	131.7	171.6	177.1	174.3	176.2	140.8	-6.7	108.8	F99 Y100 E101 N138 Q162	R73-F99 HydrophobicContact CG-CB 4.47Å; R73-F99 HydrophobicContact CG-CD2 3.87Å; R73-F99 HydrophobicContact CG-CG 4.39Å; R73-F99 VanDerWaalsContact NH1-CZ 3.28Å; R73-F99 VanDerWaalsContact NH2-CD1 3.3Å; R73-Y100 CarbonylContact C-O 3.52Å; R73-Y100 VanDerWaalsContact CA-O 3.23Å; R73-Y100 WeakPolarHBondContact CA-O 3.4Å; R73-E101 HydrophobicContact CB-CG 4.45Å; R73-N138 PolarHBondContact NH2-OD1 2.77Å; R73-Q162 HydrophobicContact CB-CB 4.33Å; R73-Q162 PolarHBondContact N-O 3.38Å; R73-Q162 PolarHBondContact O-N 3.33Å
74	I	98.4	Very high	94.9	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	119.2	177.4	-48	168.6	0	0	0	108.5	V72 L90 F99 Y100 F113 L116 L159 C160 F161	V72-I74 HydrophobicContact CG2-CG1 4.1Å; I74-L90 HydrophobicContact CB-CD2 4.11Å; I74-L90 HydrophobicContact CG2-CD2 4.1Å; I74-L90 WeakPolarHBondContact O-CD2 3.43Å; I74-F99 CarbonylContact O-C 3.53Å; I74-F99 VanDerWaalsContact O-CA 3.29Å; I74-F99 WeakPolarHBondContact O-CA 3.33Å; I74-F99 WeakPolarHBondContact O-CB 3.29Å; I74-Y100 HydrophobicContact CB-CD1 4.36Å; I74-Y100 HydrophobicContact CD1-CD1 3.66Å; I74-Y100 HydrophobicContact CD1-CE1 4.14Å; I74-Y100 HydrophobicContact CD1-CG 4.36Å; I74-Y100 HydrophobicContact CG1-CD1 3.89Å; I74-Y100 PolarHBondContact N-O 3.22Å; I74-Y100 PolarHBondContact O-N 2.92Å; I74-F113 HydrophobicContact CD1-CB 4.18Å; I74-F113 HydrophobicContact CD1-CD1 3.65Å; I74-F113 HydrophobicContact CD1-CD2 3.64Å; I74-F113 HydrophobicContact CD1-CE1 3.89Å; I74-F113 HydrophobicContact CD1-CE2 3.87Å; I74-F113 HydrophobicContact CD1-CG 3.52Å; I74-F113 HydrophobicContact CD1-CZ 4Å; I74-L116 HydrophobicContact CD1-CD1 4.08Å; I74-L159 HydrophobicContact CG2-CB 4.03Å; I74-L159 HydrophobicContact CG2-CD2 4.39Å; I74-C160 WeakPolarHBondContact CA-O 3.43Å; I74-F161 HydrophobicContact CD1-CD1 3.87Å; I74-F161 HydrophobicContact CD1-CE1 3.62Å; I74-F161 HydrophobicContact CG1-CD1 3.7Å; I74-F161 HydrophobicContact CG1-CE1 3.94Å; I74-F161 HydrophobicContact CG2-CD1 4.29Å; I74-F161 HydrophobicContact CG2-CE1 4.18Å
75	S	97.9	Very high	95	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	160.9	-179.6	54.7	0	0	0	0	111.3	N138 P140 C160	S75-N138 WeakPolarHBondContact CB-OD1 3.46Å; S75-P140 WeakPolarHBondContact OG-CG 3.36Å; S75-C160 PolarHBondContact N-O 3.23Å; S75-C160 VanDerWaalsContact N-O 3.08Å; S75-C160 PolarHBondContact O-N 3.47Å
76	L	98.4	Very high	95.3	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.01	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	132.1	172.8	-60.8	-177.1	0	0	0	110.2	H86 H88 L90 I118 V157 R158 L159	L76-H86 HydrophobicContact CB-CB 3.77Å; L76-H86 WeakPolarHBondContact O-CB 3.46Å; L76-H86 PolarHBondContact O-N 3.16Å; L76-H88 HydrophobicContact CD1-CB 3.91Å; L76-L90 HydrophobicContact CD2-CD1 4.18Å; L76-L90 HydrophobicContact CG-CB 4.25Å; L76-I118 HydrophobicContact CD1-CG1 4.41Å; L76-I118 HydrophobicContact CD1-CG2 4.08Å; L76-I118 HydrophobicContact CD2-CG1 4.48Å; L76-V157 HydrophobicContact CD2-CB 4.45Å; L76-V157 HydrophobicContact CD2-CG2 4.1Å; L76-R158 WeakPolarHBondContact CA-O 2.96Å; L76-L159 HydrophobicContact CD2-CD2 3.57Å
77	V	98.1	Very high	95.6	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	164.4	174.6	-58.7	0	0	0	0	112.1	H83 R84 P140 F141 R158 C160 L179	V77-H83 HydrophobicContact CG2-CB 4.39Å; V77-R84 CarbonylContact C-O 3.54Å; V77-R84 WeakPolarHBondContact CA-O 3.32Å; V77-R84 WeakPolarHBondContact CB-O 3.48Å; V77-P140 HydrophobicContact CG1-CG 3.97Å; V77-F141 HydrophobicContact CG1-CE2 4.43Å; V77-R158 HydrophobicContact CG2-CB 3.97Å; V77-R158 PolarHBondContact N-O 3.27Å; V77-R158 PolarHBondContact O-N 3.06Å; V77-C160 HydrophobicContact CG1-CB 3.92Å; V77-C160 HydrophobicContact CG2-CB 4.15Å; V77-L179 HydrophobicContact CG2-CD2 3.59Å
78	T	97.8	Very high	96	Very high	12 Å²	12	27.1 Å²	27.1	7%	0.074	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	144.6	177.3	57.8	0	0	0	0	112.4	D80 H83 R84 Y152	T78-D80 PolarHBondContact O-N 2.86Å; T78-D80 PolarHBondContact OG1-O 2.91Å; T78-H83 PolarHBondContact O-ND1 3.2Å; T78-H83 VanDerWaalsContact OG1-CA 3.28Å; T78-H83 WeakPolarHBondContact OG1-CA 3.26Å; T78-R84 HydrophobicContact CG2-CB 4.04Å; T78-R84 PolarHBondContact N-O 3.47Å; T78-R84 PolarHBondContact OG1-N 3.08Å; T78-Y152 HydrophobicContact CG2-CD1 3.59Å; T78-Y152 HydrophobicContact CG2-CE1 3.55Å
79	K	96.1	Very high	96.3	Very high	53 Å²	53	27.9 Å²	27.9	23%	0.23	16%	0.155	C	C	.	.	S	Bend	trans	-52.2	-42.6	177.1	-177.2	-172.7	76.8	-156.2	0	112.9	H83 D153 A156 R158 P182 F184	K79-H83 PolarHBondContact O-CE1 3.48Å; K79-H83 VanDerWaalsContact O-CE1 3.29Å; K79-D153 IonicContact NZ-OD2 3.99Å; K79-A156 HydrophobicContact CB-CB 4.11Å; K79-A156 HydrophobicContact CD-CB 4.02Å; K79-A156 HydrophobicContact CG-CB 4.49Å; K79-R158 PolarHBondContact O-NE 2.99Å; K79-P182 HydrophobicContact CD-CB 4.36Å; K79-P182 HydrophobicContact CG-CB 3.94Å; K79-P182 HydrophobicContact CG-CG 4.48Å; K79-F184 HydrophobicContact CD-CE1 4.09Å; K79-F184 HydrophobicContact CD-CZ 4.23Å
80	D	93.8	Very high	96.5	Very high	84 Å²	84	25.3 Å²	25.3	45%	0.449	14%	0.139	S	C	.	.	S	Bend	trans	-107.3	153.6	-172.9	-52.7	-51.1	0	0	0	111.3	T78 H83	T78-D80 PolarHBondContact O-N 2.86Å; T78-D80 PolarHBondContact OG1-O 2.91Å; D80-H83 PolarHBondContact O-N 2.93Å; D80-H83 PolarHBondContact O-ND1 3.43Å
81	P	92.5	Very high	96.6	Very high	101 Å²	101	26.3 Å²	26.3	66%	0.656	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.1	143.7	169	-26.3	35.7	0	0	0	111.7	H83	P81-H83 VanDerWaalsContact CA-N 3.31Å
82	P	92.5	Very high	96.5	Very high	57 Å²	57	25.9 Å²	25.9	37%	0.37	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	cis	-85.3	24.9	10.2	32.9	-34.7	0	0	0	115.9	R84 V143	P82-R84 HydrophobicContact CG-CG 3.99Å; P82-R84 PolarHBondContact O-N 2.93Å; P82-V143 HydrophobicContact CB-CG1 4.3Å; P82-V143 HydrophobicContact CB-CG2 4.44Å; P82-V143 HydrophobicContact CG-CG1 4.17Å; P82-V143 VanDerWaalsContact O-CG2 3.22Å; P82-V143 WeakPolarHBondContact O-CG2 3.4Å
83	H	96.1	Very high	96.3	Very high	33 Å²	33	32.1 Å²	32.1	15%	0.153	18%	0.175	C	C	.	.			trans	54.9	54.6	174.5	-62	-51.7	0	0	0	113.8	V77 T78 K79 D80 P81 F141 L179	V77-H83 HydrophobicContact CG2-CB 4.39Å; T78-H83 PolarHBondContact O-ND1 3.2Å; T78-H83 VanDerWaalsContact OG1-CA 3.28Å; T78-H83 WeakPolarHBondContact OG1-CA 3.26Å; K79-H83 PolarHBondContact O-CE1 3.48Å; K79-H83 VanDerWaalsContact O-CE1 3.29Å; D80-H83 PolarHBondContact O-N 2.93Å; D80-H83 PolarHBondContact O-ND1 3.43Å; P81-H83 VanDerWaalsContact CA-N 3.31Å; H83-F141 HydrophobicContact CB-CD2 3.66Å; H83-F141 HydrophobicContact CB-CE2 3.72Å; H83-F141 HydrophobicContact CB-CG 4.4Å; H83-F141 WeakPolarHBondContact O-CD2 3.44Å; H83-L179 HydrophobicContact CB-CD1 4.48Å
84	R	95.9	Very high	96.2	Very high	39 Å²	39	33.3 Å²	33.3	15%	0.147	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-68.7	154.7	-178.1	-58.9	177.1	-66.2	164.5	6.5	111.2	V77 T78 P82 H86 V143 E147 D151 Y152	V77-R84 CarbonylContact C-O 3.54Å; V77-R84 WeakPolarHBondContact CA-O 3.32Å; V77-R84 WeakPolarHBondContact CB-O 3.48Å; T78-R84 HydrophobicContact CG2-CB 4.04Å; T78-R84 PolarHBondContact N-O 3.47Å; T78-R84 PolarHBondContact OG1-N 3.08Å; P82-R84 HydrophobicContact CG-CG 3.99Å; P82-R84 PolarHBondContact O-N 2.93Å; R84-H86 PolarHBondContact O-N 2.81Å; R84-V143 HydrophobicContact CG-CG1 4.14Å; R84-E147 WeakPolarHBondContact CD-O 3.24Å; R84-E147 PolarHBondContact NH1-O 2.74Å; R84-D151 PolarHBondContact NH2-O 3Å; R84-Y152 HydrophobicContact CB-CE1 4.28Å
85	P	97	Very high	96	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.013	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-52	127.2	169	-24.1	34.6	0	0	0	110.5	R133 N138 N139 Y152	P85-R133 HydrophobicContact CB-CB 3.96Å; P85-R133 HydrophobicContact CB-CG 4.33Å; P85-N138 WeakPolarHBondContact CB-O 3.48Å; P85-N138 VanDerWaalsContact CG-O 3.28Å; P85-N138 WeakPolarHBondContact CG-O 3.2Å; P85-N139 HydrophobicContact CG-CB 3.97Å; P85-Y152 VanDerWaalsContact O-CE1 3.26Å; P85-Y152 WeakPolarHBondContact O-CE1 3.39Å; P85-Y152 PolarHBondContact O-OH 2.95Å
86	H	97.8	Very high	95.9	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-81.6	140.1	-179.8	-158.1	-92.1	0	0	0	110.6	L76 R84 H88 R133 D153 V157	L76-H86 HydrophobicContact CB-CB 3.77Å; L76-H86 WeakPolarHBondContact O-CB 3.46Å; L76-H86 PolarHBondContact O-N 3.16Å; R84-H86 PolarHBondContact O-N 2.81Å; H86-H88 VanDerWaalsContact C-N 3.32Å; H86-H88 AromaticContact CE1-CD2 3.36Å; H86-H88 PolarHBondContact CE1-CD2 2.77Å; H86-H88 AromaticContact CE1-CE1 3.95Å; H86-H88 AromaticContact CE1-CG 3.44Å; H86-H88 VanDerWaalsContact CE1-CG 3.44Å; H86-H88 AromaticContact CE1-ND1 3.84Å; H86-H88 AromaticContact CE1-NE2 3.69Å; H86-H88 WeakPolarHBondContact ND1-CB 3.49Å; H86-H88 AromaticContact ND1-CD2 3.63Å; H86-H88 AromaticContact ND1-CG 3.39Å; H86-H88 PolarHBondContact ND1-N 2.83Å; H86-H88 PolarHBondContact O-N 2.85Å; H86-R133 PolarHBondContact O-NE 3.18Å; H86-D153 PolarHBondContact NE2-O 2.87Å; H86-V157 WeakPolarHBondContact ND1-CG1 3.28Å
87	P	97	Very high	95.6	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.24	C	C	.	.	S	Bend	trans	-69.4	-26	179.5	27.2	-37.3	0	0	0	113.4	V121 A129 I130 R133 Y152 L154	P87-V121 HydrophobicContact CB-CG2 3.86Å; P87-V121 HydrophobicContact CG-CG2 4.31Å; P87-V121 WeakPolarHBondContact O-CG1 3.12Å; P87-A129 HydrophobicContact CB-CB 3.85Å; P87-I130 HydrophobicContact CB-CG1 4.27Å; P87-R133 PolarHBondContact O-NH2 2.83Å; P87-Y152 HydrophobicContact CG-CD1 4.06Å; P87-Y152 HydrophobicContact CG-CG 4.15Å; P87-L154 HydrophobicContact CG-CD2 3.84Å
88	H	97.6	Very high	95.4	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.009	24%	0.241	C	C	.	.	S	Bend	trans	-58.8	158.1	169.3	-63.1	-11.8	0	0	0	111.8	F34 L76 H86 I118 Q119 C120 V121 R133 L154	F34-H88 AromaticContact CD2-CD2 3.7Å; F34-H88 AromaticContact CD2-NE2 3.78Å; F34-H88 AromaticContact CE2-CD2 4Å; L76-H88 HydrophobicContact CD1-CB 3.91Å; H86-H88 VanDerWaalsContact C-N 3.32Å; H86-H88 AromaticContact CE1-CD2 3.36Å; H86-H88 PolarHBondContact CE1-CD2 2.77Å; H86-H88 AromaticContact CE1-CE1 3.95Å; H86-H88 AromaticContact CE1-CG 3.44Å; H86-H88 VanDerWaalsContact CE1-CG 3.44Å; H86-H88 AromaticContact CE1-ND1 3.84Å; H86-H88 AromaticContact CE1-NE2 3.69Å; H86-H88 WeakPolarHBondContact ND1-CB 3.49Å; H86-H88 AromaticContact ND1-CD2 3.63Å; H86-H88 AromaticContact ND1-CG 3.39Å; H86-H88 PolarHBondContact ND1-N 2.83Å; H86-H88 PolarHBondContact O-N 2.85Å; H88-I118 HydrophobicContact CB-CG2 4.2Å; H88-Q119 WeakPolarHBondContact CA-O 3.34Å; H88-Q119 WeakPolarHBondContact CB-O 3.47Å; H88-C120 VanDerWaalsContact CE1-CB 3.46Å; H88-C120 WeakPolarHBondContact CE1-CB 3.4Å; H88-C120 WeakPolarHBondContact ND1-CA 3.22Å; H88-V121 PolarHBondContact ND1-N 2.88Å; H88-V121 VanDerWaalsContact ND1-N 3.17Å; H88-R133 PolarHBondContact O-NH2 3.26Å; H88-L154 PolarHBondContact NE2-O 2.84Å
89	E	96.8	Very high	95.4	Very high	30 Å²	30	45.1 Å²	45.1	14%	0.14	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	134.6	-177.1	-35.3	-131.8	90.3	0	0	110.5	V91 Q119 R133	E89-V91 HydrophobicContact CB-CG1 4.05Å; E89-Q119 HydrophobicContact CB-CB 4.2Å; E89-Q119 PolarHBondContact N-O 2.94Å; E89-Q119 PolarHBondContact O-N 2.93Å; E89-R133 VanDerWaalsContact CG-NH2 3.33Å; E89-R133 IonicContact OE1-CZ 3.93Å; E89-R133 VanDerWaalsContact OE1-CZ 3.25Å; E89-R133 IonicContact OE1-NH1 2.67Å; E89-R133 PolarHBondContact OE1-NH1 2.67Å; E89-R133 IonicContact OE1-NH2 3.4Å; E89-R133 PolarHBondContact OE1-NH2 3.41Å
90	L	97.1	Very high	95.5	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.01	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	121.7	160.1	-161.6	66.3	0	0	0	108.3	I46 I74 L76 G98 L116 L159	I46-L90 HydrophobicContact CD1-CD1 4.03Å; I74-L90 HydrophobicContact CB-CD2 4.11Å; I74-L90 HydrophobicContact CG2-CD2 4.1Å; I74-L90 WeakPolarHBondContact O-CD2 3.43Å; L76-L90 HydrophobicContact CD2-CD1 4.18Å; L76-L90 HydrophobicContact CG-CB 4.25Å; L90-G98 WeakPolarHBondContact CB-O 3.46Å; L90-G98 PolarHBondContact N-O 3.49Å; L90-G98 VanDerWaalsContact N-O 3.09Å; L90-L116 HydrophobicContact CD1-CB 4.22Å; L90-L116 HydrophobicContact CD2-CD1 4.26Å; L90-L116 HydrophobicContact CD2-CD2 4.14Å; L90-L116 HydrophobicContact CG-CD2 4.33Å; L90-L159 HydrophobicContact CD1-CD2 4.4Å
91	V	96.3	Very high	95.6	Very high	34 Å²	34	42.3 Å²	42.3	21%	0.206	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	151.6	-179.7	-62.1	0	0	0	0	109.9	A43 E89 G117 Q119	A43-V91 HydrophobicContact CB-CG2 3.51Å; E89-V91 HydrophobicContact CB-CG1 4.05Å; V91-G117 WeakPolarHBondContact CG2-O 3.31Å; V91-G117 PolarHBondContact N-O 3.32Å; V91-G117 PolarHBondContact O-N 3.24Å; V91-Q119 HydrophobicContact CB-CB 4.48Å; V91-Q119 HydrophobicContact CG1-CB 3.7Å; V91-Q119 HydrophobicContact CG2-CB 3.89Å
92	G	93.9	Very high	95.8	Very high	44 Å²	44	38.5 Å²	38.5	45%	0.454	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	152	-166.2	-172.9	0	0	0	0	0	112.5	N115	G92-N115 WeakPolarHBondContact CA-O 3.47Å
93	K	93.8	Very high	95.9	Very high	131 Å²	131	44.1 Å²	44.1	57%	0.57	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.8	138.9	168.3	-162.6	-154.6	165.6	-125.2	0	109	C95 Y100	K93-C95 PolarHBondContact O-N 2.96Å; K93-Y100 WeakPolarHBondContact O-CD2 3.33Å; K93-Y100 WeakPolarHBondContact O-CE2 3.28Å
94	D	95.2	Very high	95.8	Very high	72 Å²	72	43 Å²	43	39%	0.385	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	22.2	179	-36.5	-47.4	0	0	0	113.9	Y100 E101	D94-Y100 HydrophobicContact CB-CD2 4.03Å; D94-Y100 HydrophobicContact CB-CE2 3.66Å; D94-E101 PolarHBondContact O-N 3.24Å
95	C	95.6	Very high	95.6	Very high	32 Å²	32	43.7 Å²	43.7	22%	0.216	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	138.7	173.3	-65.1	0	0	0	0	112.5	K93 F99	K93-C95 PolarHBondContact O-N 2.96Å; C95-F99 CarbonylContact C-O 3.52Å; C95-F99 VanDerWaalsContact CA-O 3.26Å; C95-F99 WeakPolarHBondContact CA-O 3.19Å
96	R	94.3	Very high	95.2	Very high	144 Å²	144	46.4 Å²	46.4	54%	0.543	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	147.7	172.8	55.1	178.8	169.5	-159.6	-0.7	110.4	G98 F99 E101	R96-G98 PolarHBondContact O-N 2.91Å; R96-F99 HydrophobicContact CG-CD2 4.49Å; R96-F99 HydrophobicContact CG-CE2 3.83Å; R96-F99 HydrophobicContact CG-CZ 3.93Å; R96-F99 PolarHBondContact N-O 2.93Å; R96-F99 VanDerWaalsContact O-CD1 3.32Å; R96-F99 WeakPolarHBondContact O-CD1 3.49Å; R96-F99 WeakPolarHBondContact O-CG 3.11Å; R96-F99 PolarHBondContact O-N 3.4Å; R96-E101 IonicContact CZ-OE2 2.7Å; R96-E101 IonicContact NE-OE2 3.34Å; R96-E101 PolarHBondContact NE-OE2 3.28Å; R96-E101 IonicContact NH2-OE2 3.15Å; R96-E101 PolarHBondContact NH2-OE2 2.84Å
97	D	93.4	Very high	94.9	Very high	75 Å²	75	53.2 Å²	53.2	40%	0.401	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.2	27	172.5	-62.5	-52.9	0	0	0	115.9	F99 R133 T136	D97-F99 HydrophobicContact CB-CD1 4.12Å; D97-F99 HydrophobicContact CB-CE1 3.64Å; D97-F99 HydrophobicContact CB-CZ 4.43Å; D97-R133 PolarHBondContact O-NH1 3.12Å; D97-T136 HydrophobicContact CB-CG2 3.81Å
98	G	93.6	Very high	94.7	Very high	3 Å²	3	61.5 Å²	61.5	3%	0.031	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.3	13.3	-178.3	0	0	0	0	0	115.9	L90 R96	L90-G98 WeakPolarHBondContact CB-O 3.46Å; L90-G98 PolarHBondContact N-O 3.49Å; L90-G98 VanDerWaalsContact N-O 3.09Å; R96-G98 PolarHBondContact O-N 2.91Å
99	F	96.9	Very high	94.4	Very high	8 Å²	8	63.2 Å²	63.2	4%	0.035	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	156	169.8	61.9	-92.4	0	0	0	111.7	R73 I74 C95 R96 D97 E101 N138	R73-F99 HydrophobicContact CG-CB 4.47Å; R73-F99 HydrophobicContact CG-CD2 3.87Å; R73-F99 HydrophobicContact CG-CG 4.39Å; R73-F99 VanDerWaalsContact NH1-CZ 3.28Å; R73-F99 VanDerWaalsContact NH2-CD1 3.3Å; I74-F99 CarbonylContact O-C 3.53Å; I74-F99 VanDerWaalsContact O-CA 3.29Å; I74-F99 WeakPolarHBondContact O-CA 3.33Å; I74-F99 WeakPolarHBondContact O-CB 3.29Å; C95-F99 CarbonylContact C-O 3.52Å; C95-F99 VanDerWaalsContact CA-O 3.26Å; C95-F99 WeakPolarHBondContact CA-O 3.19Å; R96-F99 HydrophobicContact CG-CD2 4.49Å; R96-F99 HydrophobicContact CG-CE2 3.83Å; R96-F99 HydrophobicContact CG-CZ 3.93Å; R96-F99 PolarHBondContact N-O 2.93Å; R96-F99 VanDerWaalsContact O-CD1 3.32Å; R96-F99 WeakPolarHBondContact O-CD1 3.49Å; R96-F99 WeakPolarHBondContact O-CG 3.11Å; R96-F99 PolarHBondContact O-N 3.4Å; D97-F99 HydrophobicContact CB-CD1 4.12Å; D97-F99 HydrophobicContact CB-CE1 3.64Å; D97-F99 HydrophobicContact CB-CZ 4.43Å; F99-E101 HydrophobicContact CD2-CB 4.06Å; F99-E101 HydrophobicContact CE2-CB 3.95Å; F99-N138 HydrophobicContact CD1-CB 4.49Å
100	Y	97.8	Very high	94.4	Very high	25 Å²	25	65.7 Å²	65.7	10%	0.098	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	141.9	168.5	170.5	-92.4	0	0	0	109.2	V72 R73 I74 K93 D94 A102 F113 L116	V72-Y100 HydrophobicContact CG1-CE1 4.24Å; R73-Y100 CarbonylContact C-O 3.52Å; R73-Y100 VanDerWaalsContact CA-O 3.23Å; R73-Y100 WeakPolarHBondContact CA-O 3.4Å; I74-Y100 HydrophobicContact CB-CD1 4.36Å; I74-Y100 HydrophobicContact CD1-CD1 3.66Å; I74-Y100 HydrophobicContact CD1-CE1 4.14Å; I74-Y100 HydrophobicContact CD1-CG 4.36Å; I74-Y100 HydrophobicContact CG1-CD1 3.89Å; I74-Y100 PolarHBondContact N-O 3.22Å; I74-Y100 PolarHBondContact O-N 2.92Å; K93-Y100 WeakPolarHBondContact O-CD2 3.33Å; K93-Y100 WeakPolarHBondContact O-CE2 3.28Å; D94-Y100 HydrophobicContact CB-CD2 4.03Å; D94-Y100 HydrophobicContact CB-CE2 3.66Å; Y100-A102 HydrophobicContact CE1-CB 3.76Å; Y100-A102 HydrophobicContact CE2-CB 4.42Å; Y100-A102 VanDerWaalsContact OH-CB 3.27Å; Y100-A102 WeakPolarHBondContact OH-CB 3.35Å; Y100-F113 HydrophobicContact CD1-CD1 4.36Å; Y100-F113 AromaticContact CE1-CD1 3.59Å; Y100-F113 HydrophobicContact CE1-CD1 3.59Å; Y100-F113 AromaticContact CE1-CE1 3.73Å; Y100-F113 HydrophobicContact CE1-CE1 3.73Å; Y100-F113 AromaticContact CZ-CD1 3.85Å; Y100-L116 HydrophobicContact CD2-CD2 3.49Å; Y100-L116 VanDerWaalsContact CD2-CD2 3.49Å; Y100-L116 HydrophobicContact CE2-CD2 4.18Å; Y100-L116 HydrophobicContact CG-CD2 3.86Å
101	E	96.6	Very high	94.4	Very high	54 Å²	54	66.6 Å²	66.6	25%	0.252	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	124	173.5	-170.1	167.4	-132.5	0	0	111.4	V72 R73 D94 R96 F99	V72-E101 WeakPolarHBondContact O-CA 3.26Å; R73-E101 HydrophobicContact CB-CG 4.45Å; D94-E101 PolarHBondContact O-N 3.24Å; R96-E101 IonicContact CZ-OE2 2.7Å; R96-E101 IonicContact NE-OE2 3.34Å; R96-E101 PolarHBondContact NE-OE2 3.28Å; R96-E101 IonicContact NH2-OE2 3.15Å; R96-E101 PolarHBondContact NH2-OE2 2.84Å; F99-E101 HydrophobicContact CD2-CB 4.06Å; F99-E101 HydrophobicContact CE2-CB 3.95Å
102	A	96.1	Very high	94.4	Very high	21 Å²	21	67.5 Å²	67.5	17%	0.174	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	159.3	-179.5	0	0	0	0	0	112.5	T71 V72 Y100	T71-A102 WeakPolarHBondContact CA-O 3.34Å; V72-A102 PolarHBondContact N-O 3.24Å; V72-A102 PolarHBondContact O-N 2.84Å; Y100-A102 HydrophobicContact CE1-CB 3.76Å; Y100-A102 HydrophobicContact CE2-CB 4.42Å; Y100-A102 VanDerWaalsContact OH-CB 3.27Å; Y100-A102 WeakPolarHBondContact OH-CB 3.35Å
103	E	95.9	Very high	94.5	Very high	175 Å²	175	65.7 Å²	65.7	82%	0.818	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.1	142.3	169.3	-63	-170	172.8	0	0	111.2	G70 T71	G70-E103 WeakPolarHBondContact O-CA 3.27Å; T71-E103 HydrophobicContact CG2-CG 4.35Å
104	L	93.4	Very high	94.6	Very high	8 Å²	8	64.6 Å²	64.6	4%	0.042	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	127.4	178	-66.2	166	0	0	0	109.6	I63 G70 V72 P106 H111 V163	I63-L104 HydrophobicContact CD1-CD1 3.47Å; I63-L104 VanDerWaalsContact CD1-CD1 3.47Å; I63-L104 HydrophobicContact CD1-CD2 4.17Å; I63-L104 HydrophobicContact CD1-CG 4.39Å; G70-L104 PolarHBondContact O-N 2.84Å; V72-L104 HydrophobicContact CB-CD1 4.45Å; V72-L104 HydrophobicContact CB-CD2 3.9Å; V72-L104 HydrophobicContact CB-CG 4.25Å; V72-L104 HydrophobicContact CG1-CD2 3.55Å; V72-L104 HydrophobicContact CG1-CG 4.1Å; L104-P106 VanDerWaalsContact O-CD 3.32Å; L104-P106 WeakPolarHBondContact O-CD 3.36Å; L104-H111 HydrophobicContact CD2-CB 4.24Å; L104-V163 HydrophobicContact CD1-CG1 3.89Å
105	C	90.8	Very high	94.4	Very high	54 Å²	54	65.2 Å²	65.2	37%	0.365	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-58.3	116.6	175.9	177.6	0	0	0	0	110.3	D107 R108	C105-D107 PolarHBondContact O-N 3.19Å; C105-D107 VanDerWaalsContact O-N 3.17Å; C105-R108 PolarHBondContact O-N 2.73Å; C105-R108 VanDerWaalsContact O-O 3.04Å
106	P	90.3	Very high	94.4	Very high	60 Å²	60	63.7 Å²	63.7	39%	0.39	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-29.4	-171.3	-27	36	0	0	0	115	T67 G68 P69 L104 R108	T67-P106 VanDerWaalsContact CG2-O 3.27Å; T67-P106 WeakPolarHBondContact CG2-O 3.43Å; G68-P106 PolarHBondContact N-O 2.96Å; P69-P106 HydrophobicContact CB-CG 4.29Å; L104-P106 VanDerWaalsContact O-CD 3.32Å; L104-P106 WeakPolarHBondContact O-CD 3.36Å; P106-R108 VanDerWaalsContact C-N 3.25Å; P106-R108 PolarHBondContact O-N 2.93Å
107	D	90.9	Very high	94.5	Very high	143 Å²	143	56.9 Å²	56.9	77%	0.765	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-1.1	-175.7	-48.4	-54.7	0	0	0	113.6	C105	C105-D107 PolarHBondContact O-N 3.19Å; C105-D107 VanDerWaalsContact O-N 3.17Å
108	R	91.6	Very high	94.7	Very high	174 Å²	174	53.4 Å²	53.4	66%	0.657	28%	0.275	S	S	*	.			trans	-135.5	141.7	-174.3	-59.3	-175.2	-175.3	-163.5	0.5	110.5	C105 P106 H111	C105-R108 PolarHBondContact O-N 2.73Å; C105-R108 VanDerWaalsContact O-O 3.04Å; P106-R108 VanDerWaalsContact C-N 3.25Å; P106-R108 PolarHBondContact O-N 2.93Å; R108-H111 PolarHBondContact O-CE1 3.09Å; R108-H111 PolarHBondContact O-NE2 2.9Å; R108-H111 VanDerWaalsContact O-NE2 3.13Å
109	C	93.1	Very high	94.9	Very high	39 Å²	39	54.8 Å²	54.8	26%	0.264	28%	0.281	S	S	.	.	S	Bend	trans	-101.3	-3.3	170.9	59.1	0	0	0	0	113.1	K62 I63	K62-C109 CarbonylContact C-O 3.54Å; K62-C109 VanDerWaalsContact CA-O 3.24Å; K62-C109 WeakPolarHBondContact CA-O 3.43Å; I63-C109 PolarHBondContact N-O 2.85Å; I63-C109 WeakPolarHBondContact O-CB 3.42Å
110	I	96.2	Very high	94.9	Very high	82 Å²	82	54.8 Å²	54.8	42%	0.421	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	125.8	-179.5	-61.1	176.6	0	0	0	109.4	I24 T60 I61 K62	I24-I110 HydrophobicContact CD1-CD1 4.28Å; I24-I110 HydrophobicContact CD1-CG1 4.37Å; I24-I110 HydrophobicContact CD1-CG2 3.69Å; T60-I110 HydrophobicContact CG2-CG2 3.62Å; I61-I110 WeakPolarHBondContact O-CA 3.48Å; K62-I110 HydrophobicContact CB-CG1 4.16Å; K62-I110 HydrophobicContact CD-CD1 4.27Å; K62-I110 HydrophobicContact CD-CG1 3.96Å; K62-I110 HydrophobicContact CG-CG1 4.21Å
111	H	96.5	Very high	94.8	Very high	21 Å²	21	54.6 Å²	54.6	10%	0.097	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	121.8	-174.6	-51.8	-83.5	0	0	0	110.3	T60 I61 L104 R108 F113	T60-H111 WeakPolarHBondContact CA-O 3.23Å; T60-H111 WeakPolarHBondContact CG2-O 3.31Å; I61-H111 HydrophobicContact CG1-CB 4.29Å; I61-H111 PolarHBondContact N-O 2.74Å; I61-H111 PolarHBondContact O-N 2.86Å; L104-H111 HydrophobicContact CD2-CB 4.24Å; R108-H111 PolarHBondContact O-CE1 3.09Å; R108-H111 PolarHBondContact O-NE2 2.9Å; R108-H111 VanDerWaalsContact O-NE2 3.13Å; H111-F113 HydrophobicContact CB-CE1 4.32Å; H111-F113 HydrophobicContact CB-CZ 3.89Å; H111-F113 WeakPolarHBondContact O-CE2 3.37Å
112	S	96.8	Very high	94.6	Very high	52 Å²	52	55.4 Å²	55.4	36%	0.364	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	129	-176.4	-167.2	0	0	0	0	110.3	T60	T60-S112 VanDerWaalsContact OG1-CB 3.29Å; T60-S112 WeakPolarHBondContact OG1-CB 3.48Å; T60-S112 PolarHBondContact OG1-OG 3.26Å
113	F	96.3	Very high	94.5	Very high	6 Å²	6	61 Å²	61	3%	0.026	31%	0.306	C	S	.	.			trans	-104.7	95	-168.6	-54.8	-71.9	0	0	0	111.5	P59 I61 V72 I74 Y100 H111 L116 F161	P59-F113 WeakPolarHBondContact O-CD2 3.35Å; P59-F113 PolarHBondContact O-N 3.04Å; I61-F113 HydrophobicContact CB-CE2 4.41Å; I61-F113 HydrophobicContact CD1-CE2 3.81Å; I61-F113 HydrophobicContact CD1-CZ 3.73Å; I61-F113 HydrophobicContact CG1-CE2 3.73Å; I61-F113 HydrophobicContact CG1-CZ 3.94Å; I61-F113 HydrophobicContact CG2-CE2 4.12Å; V72-F113 HydrophobicContact CG1-CE1 3.76Å; V72-F113 HydrophobicContact CG1-CZ 3.99Å; V72-F113 HydrophobicContact CG2-CE1 4.42Å; V72-F113 HydrophobicContact CG2-CZ 4Å; I74-F113 HydrophobicContact CD1-CB 4.18Å; I74-F113 HydrophobicContact CD1-CD1 3.65Å; I74-F113 HydrophobicContact CD1-CD2 3.64Å; I74-F113 HydrophobicContact CD1-CE1 3.89Å; I74-F113 HydrophobicContact CD1-CE2 3.87Å; I74-F113 HydrophobicContact CD1-CG 3.52Å; I74-F113 HydrophobicContact CD1-CZ 4Å; Y100-F113 HydrophobicContact CD1-CD1 4.36Å; Y100-F113 AromaticContact CE1-CD1 3.59Å; Y100-F113 HydrophobicContact CE1-CD1 3.59Å; Y100-F113 AromaticContact CE1-CE1 3.73Å; Y100-F113 HydrophobicContact CE1-CE1 3.73Å; Y100-F113 AromaticContact CZ-CD1 3.85Å; H111-F113 HydrophobicContact CB-CE1 4.32Å; H111-F113 HydrophobicContact CB-CZ 3.89Å; H111-F113 WeakPolarHBondContact O-CE2 3.37Å; F113-L116 HydrophobicContact CB-CD1 3.57Å; F113-L116 HydrophobicContact CB-CG 4.17Å; F113-L116 HydrophobicContact CG-CD1 4.46Å; F113-F161 AromaticContact CD2-CE1 3.81Å; F113-F161 HydrophobicContact CD2-CE1 3.81Å; F113-F161 HydrophobicContact CE2-CD1 4.08Å; F113-F161 AromaticContact CE2-CE1 3.71Å; F113-F161 HydrophobicContact CE2-CE1 3.71Å
114	Q	94.4	Very high	94.4	Very high	108 Å²	108	62 Å²	62	51%	0.505	30%	0.303	S	S	.	.			trans	-88.9	159	179.5	-59.3	168.5	25.1	0	0	110.6	H58 L116	H58-Q114 HydrophobicContact CB-CG 4.36Å; Q114-L116 PolarHBondContact O-N 3.48Å; Q114-L116 VanDerWaalsContact O-N 3.17Å
115	N	92.2	Very high	94.5	Very high	85 Å²	85	64.1 Å²	64.1	46%	0.455	31%	0.314	S	S	.	.	S	Bend	trans	60.8	21.7	173.6	-49.5	-55	0	0	0	115.6	S45 G92	S45-N115 WeakPolarHBondContact OG-CA 3.12Å; G92-N115 WeakPolarHBondContact CA-O 3.47Å
116	L	95.6	Very high	94.6	Very high	1 Å²	1	62.4 Å²	62.4	1%	0.005	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	130.6	167.7	-63.4	-173.9	0	0	0	110.3	S45 I46 I74 L90 Y100 F113 Q114	S45-L116 CarbonylContact C-O 3.49Å; S45-L116 VanDerWaalsContact CA-O 3.24Å; S45-L116 WeakPolarHBondContact CA-O 3.46Å; I46-L116 HydrophobicContact CD1-CB 3.99Å; I46-L116 WeakPolarHBondContact CG1-O 3.42Å; I46-L116 PolarHBondContact N-O 2.88Å; I74-L116 HydrophobicContact CD1-CD1 4.08Å; L90-L116 HydrophobicContact CD1-CB 4.22Å; L90-L116 HydrophobicContact CD2-CD1 4.26Å; L90-L116 HydrophobicContact CD2-CD2 4.14Å; L90-L116 HydrophobicContact CG-CD2 4.33Å; Y100-L116 HydrophobicContact CD2-CD2 3.49Å; Y100-L116 VanDerWaalsContact CD2-CD2 3.49Å; Y100-L116 HydrophobicContact CE2-CD2 4.18Å; Y100-L116 HydrophobicContact CG-CD2 3.86Å; F113-L116 HydrophobicContact CB-CD1 3.57Å; F113-L116 HydrophobicContact CB-CG 4.17Å; F113-L116 HydrophobicContact CG-CD1 4.46Å; Q114-L116 PolarHBondContact O-N 3.48Å; Q114-L116 VanDerWaalsContact O-N 3.17Å
117	G	96.6	Very high	94.8	Very high	1 Å²	1	64 Å²	64	1%	0.01	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	159.3	175	0	0	0	0	0	112.1	G44 V91	G44-G117 WeakPolarHBondContact O-CA 3.47Å; V91-G117 WeakPolarHBondContact CG2-O 3.31Å; V91-G117 PolarHBondContact N-O 3.32Å; V91-G117 PolarHBondContact O-N 3.24Å
118	I	97.8	Very high	95	Very high	1 Å²	1	64.1 Å²	64.1	1%	0.005	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	112.5	-176.7	-62.3	161.2	0	0	0	109	F34 R35 I46 L76 H88 V157 I183	F34-I118 HydrophobicContact CB-CG2 4.12Å; F34-I118 HydrophobicContact CD1-CB 3.7Å; F34-I118 HydrophobicContact CD1-CD1 3.88Å; F34-I118 HydrophobicContact CD1-CG1 4.41Å; F34-I118 HydrophobicContact CD1-CG2 3.63Å; F34-I118 HydrophobicContact CD2-CG2 3.99Å; F34-I118 HydrophobicContact CE1-CB 4.15Å; F34-I118 HydrophobicContact CE1-CD1 3.43Å; F34-I118 VanDerWaalsContact CE1-CD1 3.43Å; F34-I118 HydrophobicContact CE1-CG1 4.39Å; F34-I118 HydrophobicContact CE1-CG2 4.04Å; F34-I118 HydrophobicContact CE2-CG2 4.34Å; F34-I118 HydrophobicContact CG-CB 4.15Å; F34-I118 HydrophobicContact CG-CG2 3.63Å; F34-I118 HydrophobicContact CZ-CD1 4.09Å; F34-I118 HydrophobicContact CZ-CG2 4.37Å; R35-I118 PolarHBondContact N-O 2.7Å; R35-I118 VanDerWaalsContact N-O 3.08Å; I46-I118 HydrophobicContact CD1-CD1 4.1Å; I46-I118 HydrophobicContact CD1-CG1 4.08Å; I46-I118 HydrophobicContact CG1-CD1 4.29Å; I46-I118 HydrophobicContact CG1-CG1 4.43Å; L76-I118 HydrophobicContact CD1-CG1 4.41Å; L76-I118 HydrophobicContact CD1-CG2 4.08Å; L76-I118 HydrophobicContact CD2-CG1 4.48Å; H88-I118 HydrophobicContact CB-CG2 4.2Å; I118-V157 HydrophobicContact CD1-CG2 3.78Å; I118-I183 HydrophobicContact CD1-CB 4.46Å; I118-I183 HydrophobicContact CD1-CD1 4.06Å; I118-I183 HydrophobicContact CD1-CG2 4.14Å
119	Q	96.9	Very high	95.1	Very high	33 Å²	33	56.1 Å²	56.1	15%	0.154	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	112.2	173	-178.8	160.9	115.5	0	0	109.5	R35 K37 H88 E89 V91	R35-Q119 CarbonylContact O-C 3.59Å; R35-Q119 WeakPolarHBondContact O-CA 3.35Å; K37-Q119 HydrophobicContact CB-CG 4.3Å; H88-Q119 WeakPolarHBondContact CA-O 3.34Å; H88-Q119 WeakPolarHBondContact CB-O 3.47Å; E89-Q119 HydrophobicContact CB-CB 4.2Å; E89-Q119 PolarHBondContact N-O 2.94Å; E89-Q119 PolarHBondContact O-N 2.93Å; V91-Q119 HydrophobicContact CB-CB 4.48Å; V91-Q119 HydrophobicContact CG1-CB 3.7Å; V91-Q119 HydrophobicContact CG2-CB 3.89Å
120	C	96.3	Very high	95.2	Very high	7 Å²	7	54.4 Å²	54.4	5%	0.047	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	140.9	179.4	56.1	0	0	0	0	112.2	F34 R35 Y36 H88	F34-C120 HydrophobicContact CB-CB 3.77Å; R35-C120 PolarHBondContact O-N 3.31Å; Y36-C120 WeakPolarHBondContact CD1-O 3.44Å; H88-C120 VanDerWaalsContact CE1-CB 3.46Å; H88-C120 WeakPolarHBondContact CE1-CB 3.4Å; H88-C120 WeakPolarHBondContact ND1-CA 3.22Å
121	V	95.8	Very high	95	Very high	22 Å²	22	53.1 Å²	53.1	13%	0.133	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-90.7	154.6	172.5	-59.2	0	0	0	0	110.8	P87 H88 A129	P87-V121 HydrophobicContact CB-CG2 3.86Å; P87-V121 HydrophobicContact CG-CG2 4.31Å; P87-V121 WeakPolarHBondContact O-CG1 3.12Å; H88-V121 PolarHBondContact ND1-N 2.88Å; H88-V121 VanDerWaalsContact ND1-N 3.17Å; V121-A129 HydrophobicContact CG1-CB 4.04Å; V121-A129 HydrophobicContact CG2-CB 4.42Å
122	K	94.4	Very high	94.9	Very high	70 Å²	70	55.1 Å²	55.1	30%	0.304	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-82	149.1	173.5	-60	173.3	-179.3	175.8	0	109.1	Y36 R124 D125 L126	Y36-K122 HydrophobicContact CD1-CG 3.72Å; Y36-K122 HydrophobicContact CE1-CB 4.41Å; Y36-K122 HydrophobicContact CE1-CG 3.51Å; K122-R124 HydrophobicContact CB-CG 4.02Å; K122-R124 PolarHBondContact O-N 2.85Å; K122-D125 WeakPolarHBondContact CB-OD2 3.45Å; K122-D125 PolarHBondContact O-N 3.06Å; K122-L126 PolarHBondContact O-N 3.06Å
123	K	93	Very high	94.8	Very high	139 Å²	139	52.8 Å²	52.8	60%	0.604	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-55.7	-28.8	-179.3	-172.5	157	-176.6	143.6	0	114	L126 D151 L154	K123-L126 VanDerWaalsContact O-CB 3.29Å; K123-L126 WeakPolarHBondContact O-CB 3.43Å; K123-D151 IonicContact NZ-OD1 2.67Å; K123-D151 PolarHBondContact NZ-OD1 2.69Å; K123-D151 IonicContact NZ-OD2 3.91Å; K123-L154 HydrophobicContact CB-CD1 4.39Å
124	R	94.1	Very high	94.6	Very high	197 Å²	197	55 Å²	55	74%	0.743	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-72.6	-23.8	173.9	59.5	158.8	-153.2	-159.7	7.1	115	K122	K122-R124 HydrophobicContact CB-CG 4.02Å; K122-R124 PolarHBondContact O-N 2.85Å
125	D	94.9	Very high	94.5	Very high	52 Å²	52	57.8 Å²	57.8	28%	0.278	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-100.2	6.5	-176	-49.8	-37.5	0	0	0	110.5	K122 Q128 A129	K122-D125 WeakPolarHBondContact CB-OD2 3.45Å; K122-D125 PolarHBondContact O-N 3.06Å; D125-Q128 PolarHBondContact O-N 3.11Å; D125-A129 PolarHBondContact O-N 3.01Å; D125-A129 VanDerWaalsContact O-N 3.17Å
126	L	93.9	Very high	94.5	Very high	17 Å²	17	55.3 Å²	55.3	9%	0.089	26%	0.262	C	S	.	.	H	α-helix	trans	-66.6	-45.5	-172	178.1	147	0	0	0	113.5	K122 K123 Q128 A129 I130 L154	K122-L126 PolarHBondContact O-N 3.06Å; K123-L126 VanDerWaalsContact O-CB 3.29Å; K123-L126 WeakPolarHBondContact O-CB 3.43Å; L126-Q128 VanDerWaalsContact C-N 3.29Å; L126-Q128 PolarHBondContact O-N 3.36Å; L126-A129 PolarHBondContact O-N 3.44Å; L126-I130 HydrophobicContact CD2-CD1 3.49Å; L126-I130 VanDerWaalsContact CD2-CD1 3.49Å; L126-I130 HydrophobicContact CG-CD1 4.13Å; L126-I130 WeakPolarHBondContact O-CG1 3.37Å; L126-I130 PolarHBondContact O-N 2.83Å; L126-L154 HydrophobicContact CD1-CD2 4.17Å
127	E	93.4	Very high	94.3	Very high	95 Å²	95	61.3 Å²	61.3	44%	0.444	29%	0.294	S	S	.	.	H	α-helix	trans	-63.5	-37.1	179.5	-169.6	65.6	-150.8	0	0	111.5	S131 R149	E127-S131 WeakPolarHBondContact O-CB 3.28Å; E127-S131 PolarHBondContact O-N 2.93Å; E127-S131 PolarHBondContact O-OG 3.29Å; E127-R149 IonicContact OE1-NE 3.87Å
128	Q	94.6	Very high	94.1	Very high	144 Å²	144	61.3 Å²	61.3	67%	0.673	29%	0.294	S	S	*	.	H	α-helix	trans	-65.1	-44.2	175.3	-173.8	179.7	22.2	0	0	111.1	D125 L126 S131 Q132	D125-Q128 PolarHBondContact O-N 3.11Å; L126-Q128 VanDerWaalsContact C-N 3.29Å; L126-Q128 PolarHBondContact O-N 3.36Å; Q128-S131 PolarHBondContact O-N 2.88Å; Q128-Q132 PolarHBondContact O-N 2.85Å
129	A	95.1	Very high	93.9	Very high	6 Å²	6	62.3 Å²	62.3	5%	0.05	30%	0.299	C	S	.	.	H	α-helix	trans	-63.2	-45.1	178	0	0	0	0	0	112.1	P87 V121 D125 L126 S131 Q132 R133	P87-A129 HydrophobicContact CB-CB 3.85Å; V121-A129 HydrophobicContact CG1-CB 4.04Å; V121-A129 HydrophobicContact CG2-CB 4.42Å; D125-A129 PolarHBondContact O-N 3.01Å; D125-A129 VanDerWaalsContact O-N 3.17Å; L126-A129 PolarHBondContact O-N 3.44Å; A129-S131 VanDerWaalsContact C-N 3.35Å; A129-S131 PolarHBondContact O-N 3.22Å; A129-Q132 PolarHBondContact O-N 2.91Å; A129-R133 WeakPolarHBondContact O-CG 3.47Å; A129-R133 PolarHBondContact O-N 3.11Å
130	I	93.9	Very high	93.7	Very high	4 Å²	4	61.1 Å²	61.1	2%	0.021	29%	0.294	C	S	.	.	H	α-helix	trans	-60.6	-45.5	175.4	-65	167.5	0	0	0	110.5	P87 L126 Q132 R133 I134 Y152	P87-I130 HydrophobicContact CB-CG1 4.27Å; L126-I130 HydrophobicContact CD2-CD1 3.49Å; L126-I130 VanDerWaalsContact CD2-CD1 3.49Å; L126-I130 HydrophobicContact CG-CD1 4.13Å; L126-I130 WeakPolarHBondContact O-CG1 3.37Å; L126-I130 PolarHBondContact O-N 2.83Å; I130-Q132 VanDerWaalsContact C-N 3.29Å; I130-Q132 PolarHBondContact O-N 3.38Å; I130-R133 PolarHBondContact O-N 3.11Å; I130-R133 VanDerWaalsContact O-N 3.08Å; I130-I134 HydrophobicContact CG2-CD1 3.88Å; I130-I134 HydrophobicContact CG2-CG1 4.49Å; I130-I134 WeakPolarHBondContact O-CG1 3.45Å; I130-I134 PolarHBondContact O-N 2.8Å; I130-Y152 HydrophobicContact CD1-CD2 4.01Å; I130-Y152 HydrophobicContact CD1-CE2 3.44Å; I130-Y152 VanDerWaalsContact CD1-CE2 3.44Å; I130-Y152 HydrophobicContact CG1-CE2 4.18Å
131	S	93.2	Very high	93.7	Very high	55 Å²	55	64.4 Å²	64.4	39%	0.385	31%	0.308	S	S	.	.	H	α-helix	trans	-57.2	-41.1	177	-60.9	0	0	0	0	112.2	E127 Q128 A129 I134 Q135	E127-S131 WeakPolarHBondContact O-CB 3.28Å; E127-S131 PolarHBondContact O-N 2.93Å; E127-S131 PolarHBondContact O-OG 3.29Å; Q128-S131 PolarHBondContact O-N 2.88Å; A129-S131 VanDerWaalsContact C-N 3.35Å; A129-S131 PolarHBondContact O-N 3.22Å; S131-I134 PolarHBondContact O-N 2.79Å; S131-Q135 WeakPolarHBondContact O-CB 3.41Å; S131-Q135 PolarHBondContact O-N 2.94Å
132	Q	93.8	Very high	93.5	Very high	63 Å²	63	71.3 Å²	71.3	29%	0.294	34%	0.339	S	S	.	.	H	α-helix	trans	-66.6	-39.7	174.7	-170.7	-179.1	1.1	0	0	112.5	Q128 A129 I130 I134 Q135 T136	Q128-Q132 PolarHBondContact O-N 2.85Å; A129-Q132 PolarHBondContact O-N 2.91Å; I130-Q132 VanDerWaalsContact C-N 3.29Å; I130-Q132 PolarHBondContact O-N 3.38Å; Q132-I134 VanDerWaalsContact C-N 3.33Å; Q132-I134 PolarHBondContact O-N 2.97Å; Q132-Q135 PolarHBondContact O-N 3.12Å; Q132-T136 HydrophobicContact CG-CG2 4.25Å; Q132-T136 WeakPolarHBondContact O-CB 3.19Å; Q132-T136 VanDerWaalsContact O-CG2 3.23Å; Q132-T136 WeakPolarHBondContact O-CG2 3.44Å; Q132-T136 PolarHBondContact O-N 2.89Å; Q132-T136 PolarHBondContact O-OG1 2.91Å
133	R	94.4	Very high	93.5	Very high	2 Å²	2	68.5 Å²	68.5	1%	0.008	33%	0.327	C	S	.	.	H	α-helix	trans	-63.6	-37.4	175.4	-63.9	-63	176.9	-93.9	-23.7	112.5	P85 H86 P87 H88 E89 D97 A129 I130 T136 N137 N138	P85-R133 HydrophobicContact CB-CB 3.96Å; P85-R133 HydrophobicContact CB-CG 4.33Å; H86-R133 PolarHBondContact O-NE 3.18Å; P87-R133 PolarHBondContact O-NH2 2.83Å; H88-R133 PolarHBondContact O-NH2 3.26Å; E89-R133 VanDerWaalsContact CG-NH2 3.33Å; E89-R133 IonicContact OE1-CZ 3.93Å; E89-R133 VanDerWaalsContact OE1-CZ 3.25Å; E89-R133 IonicContact OE1-NH1 2.67Å; E89-R133 PolarHBondContact OE1-NH1 2.67Å; E89-R133 IonicContact OE1-NH2 3.4Å; E89-R133 PolarHBondContact OE1-NH2 3.41Å; D97-R133 PolarHBondContact O-NH1 3.12Å; A129-R133 WeakPolarHBondContact O-CG 3.47Å; A129-R133 PolarHBondContact O-N 3.11Å; I130-R133 PolarHBondContact O-N 3.11Å; I130-R133 VanDerWaalsContact O-N 3.08Å; R133-T136 WeakPolarHBondContact CA-OG1 3.1Å; R133-T136 PolarHBondContact O-OG1 2.78Å; R133-N137 PolarHBondContact O-N 3.28Å; R133-N138 PolarHBondContact O-N 3.21Å
134	I	92.1	Very high	93.4	Very high	52 Å²	52	64.7 Å²	64.7	27%	0.267	32%	0.317	S	S	.	.	H	α-helix	trans	-65	-50.5	172.6	-65.1	162.1	0	0	0	110.1	I130 S131 Q132 T136 N137 I145	I130-I134 HydrophobicContact CG2-CD1 3.88Å; I130-I134 HydrophobicContact CG2-CG1 4.49Å; I130-I134 WeakPolarHBondContact O-CG1 3.45Å; I130-I134 PolarHBondContact O-N 2.8Å; S131-I134 PolarHBondContact O-N 2.79Å; Q132-I134 VanDerWaalsContact C-N 3.33Å; Q132-I134 PolarHBondContact O-N 2.97Å; I134-T136 VanDerWaalsContact C-N 3.29Å; I134-T136 PolarHBondContact O-N 3.27Å; I134-N137 PolarHBondContact O-N 2.88Å; I134-I145 HydrophobicContact CD1-CG2 4.02Å; I134-I145 HydrophobicContact CG2-CD1 4.14Å; I134-I145 HydrophobicContact CG2-CG1 4.45Å
135	Q	93.4	Very high	93.2	Very high	167 Å²	167	58.9 Å²	58.9	78%	0.78	30%	0.3	S	S	*	.	H	α-helix	trans	-59.6	-37.8	-179	-173.5	178.9	16.2	0	0	113	S131 Q132 N137	S131-Q135 WeakPolarHBondContact O-CB 3.41Å; S131-Q135 PolarHBondContact O-N 2.94Å; Q132-Q135 PolarHBondContact O-N 3.12Å; Q135-N137 VanDerWaalsContact C-N 3.27Å; Q135-N137 PolarHBondContact O-N 2.94Å
136	T	92.1	Very high	92.8	Very high	34 Å²	34	63.4 Å²	63.4	21%	0.209	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	5.5	179.5	57.8	0	0	0	0	113.3	D97 Q132 R133 I134 N138	D97-T136 HydrophobicContact CB-CG2 3.81Å; Q132-T136 HydrophobicContact CG-CG2 4.25Å; Q132-T136 WeakPolarHBondContact O-CB 3.19Å; Q132-T136 VanDerWaalsContact O-CG2 3.23Å; Q132-T136 WeakPolarHBondContact O-CG2 3.44Å; Q132-T136 PolarHBondContact O-N 2.89Å; Q132-T136 PolarHBondContact O-OG1 2.91Å; R133-T136 WeakPolarHBondContact CA-OG1 3.1Å; R133-T136 PolarHBondContact O-OG1 2.78Å; I134-T136 VanDerWaalsContact C-N 3.29Å; I134-T136 PolarHBondContact O-N 3.27Å; T136-N138 PolarHBondContact O-N 3.44Å
137	N	90.9	Very high	92.5	Very high	126 Å²	126	67.2 Å²	67.2	67%	0.674	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.2	41.2	-177.1	-163.6	13.6	0	0	0	113.3	R133 I134 Q135 N139	R133-N137 PolarHBondContact O-N 3.28Å; I134-N137 PolarHBondContact O-N 2.88Å; Q135-N137 VanDerWaalsContact C-N 3.27Å; Q135-N137 PolarHBondContact O-N 2.94Å; N137-N139 PolarHBondContact O-N 3.3Å
138	N	92.1	Very high	92.1	Very high	1 Å²	1	63 Å²	63	1%	0.005	32%	0.317	C	S	.	.			trans	-83.6	54.4	-176.7	-161.1	22.4	0	0	0	111.8	R73 S75 P85 F99 R133 T136	R73-N138 PolarHBondContact NH2-OD1 2.77Å; S75-N138 WeakPolarHBondContact CB-OD1 3.46Å; P85-N138 WeakPolarHBondContact CB-O 3.48Å; P85-N138 VanDerWaalsContact CG-O 3.28Å; P85-N138 WeakPolarHBondContact CG-O 3.2Å; F99-N138 HydrophobicContact CD1-CB 4.49Å; R133-N138 PolarHBondContact O-N 3.21Å; T136-N138 PolarHBondContact O-N 3.44Å
139	N	93.3	Very high	91.4	Very high	22 Å²	22	63.6 Å²	63.6	12%	0.118	31%	0.313	C	S	.	.			trans	-123.3	86.7	-170.7	-172.5	2.7	0	0	0	112.3	P85 N137 F141 Q142 V143 Q148	P85-N139 HydrophobicContact CG-CB 3.97Å; N137-N139 PolarHBondContact O-N 3.3Å; N139-F141 VanDerWaalsContact C-N 3.27Å; N139-F141 PolarHBondContact O-N 3.44Å; N139-Q142 WeakPolarHBondContact ND2-CA 3.47Å; N139-Q142 PolarHBondContact O-N 3.48Å; N139-Q142 PolarHBondContact OD1-N 3.01Å; N139-Q142 VanDerWaalsContact OD1-N 3.11Å; N139-V143 PolarHBondContact ND2-N 3.33Å; N139-V143 VanDerWaalsContact ND2-N 3.11Å; N139-V143 PolarHBondContact ND2-O 3.48Å; N139-V143 PolarHBondContact OD1-N 3.32Å; N139-V143 VanDerWaalsContact OD1-N 3.12Å; N139-Q148 PolarHBondContact ND2-NE2 2.97Å; N139-Q148 VanDerWaalsContact ND2-NE2 3.18Å
140	P	93.9	Very high	90.9	Very high	9 Å²	9	65.3 Å²	65.3	6%	0.058	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-30.7	-173.2	-25	35.2	0	0	0	115	S75 V77 C160 Q162	S75-P140 WeakPolarHBondContact OG-CG 3.36Å; V77-P140 HydrophobicContact CG1-CG 3.97Å; P140-C160 HydrophobicContact CB-CB 4.49Å; P140-C160 WeakPolarHBondContact CB-SG 3.32Å; P140-C160 HydrophobicContact CG-CB 4.15Å; P140-Q162 HydrophobicContact CB-CG 4.17Å
141	F	94.4	Very high	90.6	Very high	76 Å²	76	70.4 Å²	70.4	33%	0.333	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	5.1	-176.5	-59.4	-78.3	0	0	0	113.4	V77 H83 N139 V143 P177 L179	V77-F141 HydrophobicContact CG1-CE2 4.43Å; H83-F141 HydrophobicContact CB-CD2 3.66Å; H83-F141 HydrophobicContact CB-CE2 3.72Å; H83-F141 HydrophobicContact CB-CG 4.4Å; H83-F141 WeakPolarHBondContact O-CD2 3.44Å; N139-F141 VanDerWaalsContact C-N 3.27Å; N139-F141 PolarHBondContact O-N 3.44Å; F141-V143 HydrophobicContact CB-CG2 4.06Å; F141-V143 PolarHBondContact O-N 3.08Å; F141-P177 HydrophobicContact CE1-CB 4.2Å; F141-P177 HydrophobicContact CZ-CB 4.17Å; F141-L179 HydrophobicContact CE2-CD1 4.36Å; F141-L179 HydrophobicContact CE2-CD2 3.87Å; F141-L179 HydrophobicContact CE2-CG 4.41Å; F141-L179 HydrophobicContact CZ-CD1 4Å; F141-L179 HydrophobicContact CZ-CD2 3.77Å; F141-L179 HydrophobicContact CZ-CG 3.89Å
142	Q	93	Very high	90.7	Very high	167 Å²	167	68.3 Å²	68.3	78%	0.78	34%	0.342	S	S	*	.			trans	55.7	33.5	178.3	-62.9	166.9	73.7	0	0	113.5	N139	N139-Q142 WeakPolarHBondContact ND2-CA 3.47Å; N139-Q142 PolarHBondContact O-N 3.48Å; N139-Q142 PolarHBondContact OD1-N 3.01Å; N139-Q142 VanDerWaalsContact OD1-N 3.11Å
143	V	92.9	Very high	90.7	Very high	10 Å²	10	68 Å²	68	6%	0.061	34%	0.343	C	S	.	.			trans	-59.2	135.6	178.5	-170.7	0	0	0	0	110.4	P82 R84 N139 F141 E147 Q148	P82-V143 HydrophobicContact CB-CG1 4.3Å; P82-V143 HydrophobicContact CB-CG2 4.44Å; P82-V143 HydrophobicContact CG-CG1 4.17Å; P82-V143 VanDerWaalsContact O-CG2 3.22Å; P82-V143 WeakPolarHBondContact O-CG2 3.4Å; R84-V143 HydrophobicContact CG-CG1 4.14Å; N139-V143 PolarHBondContact ND2-N 3.33Å; N139-V143 VanDerWaalsContact ND2-N 3.11Å; N139-V143 PolarHBondContact ND2-O 3.48Å; N139-V143 PolarHBondContact OD1-N 3.32Å; N139-V143 VanDerWaalsContact OD1-N 3.12Å; F141-V143 HydrophobicContact CB-CG2 4.06Å; F141-V143 PolarHBondContact O-N 3.08Å; V143-E147 HydrophobicContact CG1-CB 3.77Å; V143-Q148 PolarHBondContact O-NE2 3.25Å
144	P	92.6	Very high	90.8	Very high	59 Å²	59	69.5 Å²	69.5	38%	0.383	35%	0.351	S	S	.	.			trans	-53.5	150.4	177.6	-27.6	36.1	0	0	0	113.6	E146 E147 Q148	P144-E146 PolarHBondContact O-N 2.97Å; P144-E147 PolarHBondContact O-N 3.05Å; P144-Q148 WeakPolarHBondContact O-CG 3.44Å; P144-Q148 PolarHBondContact O-N 2.93Å
145	I	88.7	Confident	91	Very high	76 Å²	76	69.3 Å²	69.3	39%	0.39	35%	0.35	S	S	.	.	H	α-helix	trans	-65.8	-31.4	-177	-66.6	173.4	0	0	0	110.7	I134 E147 Q148 R149	I134-I145 HydrophobicContact CD1-CG2 4.02Å; I134-I145 HydrophobicContact CG2-CD1 4.14Å; I134-I145 HydrophobicContact CG2-CG1 4.45Å; I145-E147 VanDerWaalsContact C-N 3.34Å; I145-E147 PolarHBondContact O-N 2.87Å; I145-Q148 WeakPolarHBondContact O-CB 3.29Å; I145-Q148 PolarHBondContact O-N 2.81Å; I145-R149 PolarHBondContact O-N 2.84Å
146	E	88.1	Confident	91.1	Very high	147 Å²	147	61.4 Å²	61.4	69%	0.687	31%	0.314	S	S	*	.	H	α-helix	trans	-61.3	-42.1	177.2	-63.9	65.5	-145.2	0	0	111.1	P144 R149	P144-E146 PolarHBondContact O-N 2.97Å; E146-R149 PolarHBondContact O-N 3.08Å
147	E	86.8	Confident	91.4	Very high	97 Å²	97	59.8 Å²	59.8	45%	0.453	30%	0.304	S	S	.	.	H	α-helix	trans	-78.3	-23.2	177.5	-70.4	179.4	-129.9	0	0	112.9	R84 V143 P144 I145 R149	R84-E147 WeakPolarHBondContact CD-O 3.24Å; R84-E147 PolarHBondContact NH1-O 2.74Å; V143-E147 HydrophobicContact CG1-CB 3.77Å; P144-E147 PolarHBondContact O-N 3.05Å; I145-E147 VanDerWaalsContact C-N 3.34Å; I145-E147 PolarHBondContact O-N 2.87Å; E147-R149 PolarHBondContact O-N 3.01Å
148	Q	84.8	Confident	91.8	Very high	6 Å²	6	56.7 Å²	56.7	3%	0.028	28%	0.283	C	S	.	.	H	α-helix	trans	-69	-15.5	172.2	-68.8	177.9	58.9	0	0	113	N139 V143 P144 I145 Y152	N139-Q148 PolarHBondContact ND2-NE2 2.97Å; N139-Q148 VanDerWaalsContact ND2-NE2 3.18Å; V143-Q148 PolarHBondContact O-NE2 3.25Å; P144-Q148 WeakPolarHBondContact O-CG 3.44Å; P144-Q148 PolarHBondContact O-N 2.93Å; I145-Q148 WeakPolarHBondContact O-CB 3.29Å; I145-Q148 PolarHBondContact O-N 2.81Å; Q148-Y152 WeakPolarHBondContact O-CE2 3.49Å; Q148-Y152 PolarHBondContact O-OH 3.07Å
149	R	80.7	Confident	92.1	Very high	156 Å²	156	56.6 Å²	56.6	59%	0.589	28%	0.282	S	S	*	.	S	Bend	trans	-89.4	130.3	171.6	-69.3	-179.1	166.7	163.7	1.8	110.4	E127 I145 E146 E147	E127-R149 IonicContact OE1-NE 3.87Å; I145-R149 PolarHBondContact O-N 2.84Å; E146-R149 PolarHBondContact O-N 3.08Å; E147-R149 PolarHBondContact O-N 3.01Å
150	G	83.7	Confident	92.3	Very high	43 Å²	43	55.6 Å²	55.6	44%	0.443	28%	0.277	S	S	.	.	S	Bend	trans	153.2	-169.2	178.4	0	0	0	0	0	112.8	Y152	G150-Y152 WeakPolarHBondContact O-CD2 3.18Å
151	D	88.5	Confident	92.5	Very high	110 Å²	110	55.2 Å²	55.2	59%	0.588	27%	0.274	S	S	*	.			trans	-78	154.5	175	-151.3	8.7	0	0	0	111.3	R84 K123	R84-D151 PolarHBondContact NH2-O 3Å; K123-D151 IonicContact NZ-OD1 2.67Å; K123-D151 PolarHBondContact NZ-OD1 2.69Å; K123-D151 IonicContact NZ-OD2 3.91Å
152	Y	94.5	Very high	92.7	Very high	11 Å²	11	53.5 Å²	53.5	4%	0.043	27%	0.267	C	S	.	.			trans	-134.2	133.5	-176.3	-82.4	-100.6	0	0	0	110.1	T78 R84 P85 P87 I130 Q148 G150 L154	T78-Y152 HydrophobicContact CG2-CD1 3.59Å; T78-Y152 HydrophobicContact CG2-CE1 3.55Å; R84-Y152 HydrophobicContact CB-CE1 4.28Å; P85-Y152 VanDerWaalsContact O-CE1 3.26Å; P85-Y152 WeakPolarHBondContact O-CE1 3.39Å; P85-Y152 PolarHBondContact O-OH 2.95Å; P87-Y152 HydrophobicContact CG-CD1 4.06Å; P87-Y152 HydrophobicContact CG-CG 4.15Å; I130-Y152 HydrophobicContact CD1-CD2 4.01Å; I130-Y152 HydrophobicContact CD1-CE2 3.44Å; I130-Y152 VanDerWaalsContact CD1-CE2 3.44Å; I130-Y152 HydrophobicContact CG1-CE2 4.18Å; Q148-Y152 WeakPolarHBondContact O-CE2 3.49Å; Q148-Y152 PolarHBondContact O-OH 3.07Å; G150-Y152 WeakPolarHBondContact O-CD2 3.18Å; Y152-L154 VanDerWaalsContact C-N 3.33Å; Y152-L154 PolarHBondContact O-N 2.73Å
153	D	94.8	Very high	92.9	Very high	57 Å²	57	45.6 Å²	45.6	31%	0.305	23%	0.23	S	C	.	.			trans	-73.3	87.7	170.2	-176.6	7.7	0	0	0	110.1	K79 H86 N155 A156	K79-D153 IonicContact NZ-OD2 3.99Å; H86-D153 PolarHBondContact NE2-O 2.87Å; D153-N155 PolarHBondContact O-N 3.35Å; D153-N155 WeakPolarHBondContact OD1-CB 3.41Å; D153-N155 PolarHBondContact OD1-N 2.75Å; D153-N155 VanDerWaalsContact OD1-N 3.1Å; D153-N155 PolarHBondContact OD1-ND2 3.22Å; D153-A156 PolarHBondContact O-N 2.96Å; D153-A156 VanDerWaalsContact O-N 3.15Å; D153-A156 WeakPolarHBondContact OD2-CB 3.34Å
154	L	95.7	Very high	93.1	Very high	33 Å²	33	46.6 Å²	46.6	17%	0.173	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-6.5	179.3	-58.1	-176.8	0	0	0	113.7	P87 H88 K123 L126 Y152	P87-L154 HydrophobicContact CG-CD2 3.84Å; H88-L154 PolarHBondContact NE2-O 2.84Å; K123-L154 HydrophobicContact CB-CD1 4.39Å; L126-L154 HydrophobicContact CD1-CD2 4.17Å; Y152-L154 VanDerWaalsContact C-N 3.33Å; Y152-L154 PolarHBondContact O-N 2.73Å
155	N	95.8	Very high	93.2	Very high	48 Å²	48	43.9 Å²	43.9	26%	0.257	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-8	179.2	-38.3	-77.3	0	0	0	112.6	D153 F184 D185 A188 T191	D153-N155 PolarHBondContact O-N 3.35Å; D153-N155 WeakPolarHBondContact OD1-CB 3.41Å; D153-N155 PolarHBondContact OD1-N 2.75Å; D153-N155 VanDerWaalsContact OD1-N 3.1Å; D153-N155 PolarHBondContact OD1-ND2 3.22Å; N155-F184 CarbonylContact O-C 3.56Å; N155-F184 VanDerWaalsContact O-CA 3.26Å; N155-F184 WeakPolarHBondContact O-CA 3.36Å; N155-D185 PolarHBondContact O-N 3.17Å; N155-A188 HydrophobicContact CB-CB 4.12Å; N155-A188 VanDerWaalsContact OD1-CB 3.26Å; N155-A188 WeakPolarHBondContact OD1-CB 3.48Å; N155-T191 HydrophobicContact CB-CG2 4.12Å
156	A	96.7	Very high	93.4	Very high	1 Å²	1	47 Å²	47	1%	0.008	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	126.2	-175.1	0	0	0	0	0	113.4	K79 D153 I183 F184	K79-A156 HydrophobicContact CB-CB 4.11Å; K79-A156 HydrophobicContact CD-CB 4.02Å; K79-A156 HydrophobicContact CG-CB 4.49Å; D153-A156 PolarHBondContact O-N 2.96Å; D153-A156 VanDerWaalsContact O-N 3.15Å; D153-A156 WeakPolarHBondContact OD2-CB 3.34Å; A156-I183 WeakPolarHBondContact CA-O 3.41Å; A156-F184 HydrophobicContact CB-CD1 3.67Å; A156-F184 HydrophobicContact CB-CE1 3.69Å
157	V	97.9	Very high	93.4	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	159.5	176.6	-55	0	0	0	0	111.3	F34 L76 H86 I118 P182 I183	F34-V157 HydrophobicContact CE2-CG1 4.22Å; F34-V157 HydrophobicContact CZ-CG1 4.46Å; F34-V157 HydrophobicContact CZ-CG2 3.96Å; L76-V157 HydrophobicContact CD2-CB 4.45Å; L76-V157 HydrophobicContact CD2-CG2 4.1Å; H86-V157 WeakPolarHBondContact ND1-CG1 3.28Å; I118-V157 HydrophobicContact CD1-CG2 3.78Å; V157-P182 CarbonylContact O-C 3.57Å; V157-P182 WeakPolarHBondContact O-CA 3.46Å; V157-I183 HydrophobicContact CG2-CB 4.13Å; V157-I183 PolarHBondContact N-O 2.95Å; V157-I183 PolarHBondContact O-N 2.98Å
158	R	98.6	Very high	93.4	Very high	61 Å²	61	44.6 Å²	44.6	23%	0.23	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	147.5	162.7	-71.8	176.6	-176.5	-116.5	11.8	110	L76 V77 K79 S180 P182	L76-R158 WeakPolarHBondContact CA-O 2.96Å; V77-R158 HydrophobicContact CG2-CB 3.97Å; V77-R158 PolarHBondContact N-O 3.27Å; V77-R158 PolarHBondContact O-N 3.06Å; K79-R158 PolarHBondContact O-NE 2.99Å; R158-S180 PolarHBondContact NH1-O 2.85Å; R158-P182 HydrophobicContact CG-CB 4.19Å
159	L	98.6	Very high	93.5	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	132.5	165	-53.7	-177.5	0	0	0	108.3	P27 I46 P59 I74 L76 L90 F161 L179 S180 I183	P27-L159 HydrophobicContact CB-CD1 4.34Å; P27-L159 HydrophobicContact CG-CD1 4.25Å; I46-L159 HydrophobicContact CD1-CD1 4.44Å; I46-L159 HydrophobicContact CD1-CD2 4.15Å; P59-L159 HydrophobicContact CB-CD1 4.25Å; P59-L159 HydrophobicContact CG-CD1 4.26Å; I74-L159 HydrophobicContact CG2-CB 4.03Å; I74-L159 HydrophobicContact CG2-CD2 4.39Å; L76-L159 HydrophobicContact CD2-CD2 3.57Å; L90-L159 HydrophobicContact CD1-CD2 4.4Å; L159-F161 HydrophobicContact CB-CE2 3.84Å; L159-F161 HydrophobicContact CB-CZ 4.09Å; L159-F161 HydrophobicContact CD1-CE2 4.45Å; L159-F161 HydrophobicContact CD1-CZ 3.98Å; L159-L179 WeakPolarHBondContact O-CA 3.3Å; L159-S180 PolarHBondContact N-OG 2.79Å; L159-S180 PolarHBondContact O-N 3.04Å; L159-I183 HydrophobicContact CD1-CD1 4.27Å; L159-I183 HydrophobicContact CD2-CD1 4.12Å; L159-I183 HydrophobicContact CG-CD1 3.96Å
160	C	98.4	Very high	93.8	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	113.6	172.2	-173.8	0	0	0	0	109.5	I74 S75 V77 P140 L179	I74-C160 WeakPolarHBondContact CA-O 3.43Å; S75-C160 PolarHBondContact N-O 3.23Å; S75-C160 VanDerWaalsContact N-O 3.08Å; S75-C160 PolarHBondContact O-N 3.47Å; V77-C160 HydrophobicContact CG1-CB 3.92Å; V77-C160 HydrophobicContact CG2-CB 4.15Å; P140-C160 HydrophobicContact CB-CB 4.49Å; P140-C160 WeakPolarHBondContact CB-SG 3.32Å; P140-C160 HydrophobicContact CG-CB 4.15Å; C160-L179 HydrophobicContact CB-CD2 3.63Å
161	F	98.4	Very high	94.2	Very high	1 Å²	1	48.8 Å²	48.8	0%	0.004	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	113.5	179.6	-61.4	-90.2	0	0	0	109.6	I23 I61 I74 F113 L159 P177 V178	I23-F161 HydrophobicContact CD1-CD2 3.85Å; I23-F161 HydrophobicContact CD1-CE2 3.68Å; I23-F161 HydrophobicContact CG1-CD2 4.17Å; I23-F161 HydrophobicContact CG1-CE2 4.1Å; I61-F161 HydrophobicContact CD1-CD1 4.26Å; I61-F161 HydrophobicContact CG2-CD1 3.6Å; I61-F161 HydrophobicContact CG2-CD2 4.31Å; I61-F161 HydrophobicContact CG2-CE1 3.7Å; I61-F161 HydrophobicContact CG2-CE2 4.39Å; I61-F161 HydrophobicContact CG2-CG 3.94Å; I61-F161 HydrophobicContact CG2-CZ 4.11Å; I74-F161 HydrophobicContact CD1-CD1 3.87Å; I74-F161 HydrophobicContact CD1-CE1 3.62Å; I74-F161 HydrophobicContact CG1-CD1 3.7Å; I74-F161 HydrophobicContact CG1-CE1 3.94Å; I74-F161 HydrophobicContact CG2-CD1 4.29Å; I74-F161 HydrophobicContact CG2-CE1 4.18Å; F113-F161 AromaticContact CD2-CE1 3.81Å; F113-F161 HydrophobicContact CD2-CE1 3.81Å; F113-F161 HydrophobicContact CE2-CD1 4.08Å; F113-F161 AromaticContact CE2-CE1 3.71Å; F113-F161 HydrophobicContact CE2-CE1 3.71Å; L159-F161 HydrophobicContact CB-CE2 3.84Å; L159-F161 HydrophobicContact CB-CZ 4.09Å; L159-F161 HydrophobicContact CD1-CE2 4.45Å; L159-F161 HydrophobicContact CD1-CZ 3.98Å; F161-P177 WeakPolarHBondContact O-CA 3.4Å; F161-V178 PolarHBondContact N-O 3.18Å; F161-V178 PolarHBondContact O-N 3.1Å
162	Q	97.8	Very high	94.4	Very high	41 Å²	41	48.7 Å²	48.7	19%	0.192	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	110.8	175.5	-58.6	177.8	-85.8	0	0	108.4	R73 P140 P177	R73-Q162 HydrophobicContact CB-CB 4.33Å; R73-Q162 PolarHBondContact N-O 3.38Å; R73-Q162 PolarHBondContact O-N 3.33Å; P140-Q162 HydrophobicContact CB-CG 4.17Å; Q162-P177 HydrophobicContact CG-CB 4.25Å; Q162-P177 HydrophobicContact CG-CG 4.41Å
163	V	97.6	Very high	94.4	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.006	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	134.9	-179.4	172.4	0	0	0	0	110	V21 I61 I63 T71 V72 L104 V165 L175	V21-V163 HydrophobicContact CG1-CG2 4.44Å; V21-V163 HydrophobicContact CG2-CB 3.65Å; V21-V163 HydrophobicContact CG2-CG1 4.26Å; V21-V163 HydrophobicContact CG2-CG2 3.56Å; I61-V163 HydrophobicContact CD1-CG2 3.97Å; I63-V163 HydrophobicContact CD1-CG1 3.93Å; T71-V163 WeakPolarHBondContact O-CA 3.25Å; V72-V163 HydrophobicContact CB-CG2 4.13Å; V72-V163 HydrophobicContact CG2-CG2 3.89Å; L104-V163 HydrophobicContact CD1-CG1 3.89Å; V163-V165 HydrophobicContact CG1-CG1 3.87Å; V163-L175 HydrophobicContact CB-CD1 4.22Å; V163-L175 HydrophobicContact CB-CG 4.49Å; V163-L175 HydrophobicContact CG1-CD1 3.9Å; V163-L175 HydrophobicContact CG1-CG 4.38Å; V163-L175 PolarHBondContact O-N 3.19Å
164	T	96.9	Very high	94.4	Very high	30 Å²	30	58.3 Å²	58.3	18%	0.184	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	118.6	169.7	-51.7	0	0	0	0	108.8	G70 T71 P172 L173 R174	G70-T164 CarbonylContact C-O 3.55Å; G70-T164 WeakPolarHBondContact CA-O 3.39Å; T71-T164 PolarHBondContact N-O 3.06Å; T71-T164 PolarHBondContact O-N 2.84Å; T164-P172 HydrophobicContact CG2-CB 3.77Å; T164-L173 WeakPolarHBondContact CA-O 3.26Å; T164-R174 HydrophobicContact CG2-CG 4.21Å
165	V	95.3	Very high	94.4	Very high	2 Å²	2	57.4 Å²	57.4	1%	0.012	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	179.7	174.3	-59.9	0	0	0	0	109.8	P19 I63 Y66 V163 L173 L175	P19-V165 HydrophobicContact CG-CG2 4.1Å; I63-V165 HydrophobicContact CG2-CG1 4.37Å; Y66-V165 HydrophobicContact CD1-CB 3.7Å; Y66-V165 HydrophobicContact CD1-CG1 3.44Å; Y66-V165 VanDerWaalsContact CD1-CG1 3.44Å; Y66-V165 HydrophobicContact CD2-CB 4.11Å; Y66-V165 HydrophobicContact CD2-CG2 4.36Å; Y66-V165 HydrophobicContact CE1-CB 3.63Å; Y66-V165 HydrophobicContact CE1-CG1 3.73Å; Y66-V165 HydrophobicContact CE2-CB 4.07Å; Y66-V165 HydrophobicContact CG-CB 3.93Å; Y66-V165 HydrophobicContact CG-CG1 3.9Å; Y66-V165 HydrophobicContact CG-CG2 4.37Å; V163-V165 HydrophobicContact CG1-CG1 3.87Å; V165-L173 HydrophobicContact CG2-CB 3.97Å; V165-L173 HydrophobicContact CG2-CD2 4.01Å; V165-L173 HydrophobicContact CG2-CG 4.22Å; V165-L173 PolarHBondContact N-O 3.33Å; V165-L173 PolarHBondContact O-N 2.7Å; V165-L175 HydrophobicContact CG1-CD1 4.03Å; V165-L175 HydrophobicContact CG1-CG 4.49Å; V165-L175 HydrophobicContact CG2-CD1 4.48Å; V165-L175 HydrophobicContact CG2-CD2 3.89Å; V165-L175 HydrophobicContact CG2-CG 4.31Å
166	R	92.6	Very high	94.4	Very high	142 Å²	142	59.6 Å²	59.6	54%	0.536	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	138.2	166.4	-61.5	-171.9	-176.5	-178.6	0.4	110.9	Y66 R171	Y66-R166 WeakPolarHBondContact CE2-O 3.46Å; Y66-R166 PolarHBondContact OH-N 3.15Å; R166-R171 CarbonylContact C-O 3.51Å; R166-R171 WeakPolarHBondContact CA-O 3.42Å
167	D	88.3	Confident	94.4	Very high	47 Å²	47	61.8 Å²	61.8	25%	0.251	32%	0.324	S	S	.	.			trans	-73.3	171.7	169.2	80.6	1.7	0	0	0	111.3	S169 G170 R171 L173	D167-S169 VanDerWaalsContact CG-OG 3.26Å; D167-S169 PolarHBondContact O-N 3.45Å; D167-S169 WeakPolarHBondContact OD1-CA 3.26Å; D167-S169 WeakPolarHBondContact OD1-CB 3.48Å; D167-S169 PolarHBondContact OD1-N 3.31Å; D167-S169 PolarHBondContact OD1-OG 2.98Å; D167-S169 PolarHBondContact OD2-OG 3.24Å; D167-S169 VanDerWaalsContact OD2-OG 3.09Å; D167-G170 PolarHBondContact O-N 2.95Å; D167-G170 PolarHBondContact OD1-N 3.15Å; D167-R171 PolarHBondContact N-O 2.88Å; D167-R171 PolarHBondContact OD1-N 3Å; D167-L173 HydrophobicContact CB-CB 4.29Å
168	P	85.8	Confident	94.4	Very high	146 Å²	146	63.5 Å²	63.5	95%	0.948	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-13.1	176.7	-25.8	36.2	0	0	0	115.2
169	S	87.9	Confident	94.4	Very high	77 Å²	77	62.4 Å²	62.4	54%	0.538	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	3.4	173.6	79.3	0	0	0	0	113.5	D167 R171	D167-S169 VanDerWaalsContact CG-OG 3.26Å; D167-S169 PolarHBondContact O-N 3.45Å; D167-S169 WeakPolarHBondContact OD1-CA 3.26Å; D167-S169 WeakPolarHBondContact OD1-CB 3.48Å; D167-S169 PolarHBondContact OD1-N 3.31Å; D167-S169 PolarHBondContact OD1-OG 2.98Å; D167-S169 PolarHBondContact OD2-OG 3.24Å; D167-S169 VanDerWaalsContact OD2-OG 3.09Å; S169-R171 VanDerWaalsContact OG-CD 3.31Å; S169-R171 WeakPolarHBondContact OG-CD 3.33Å; S169-R171 WeakPolarHBondContact OG-CG 3.35Å; S169-R171 PolarHBondContact OG-NE 3.46Å
170	G	86.6	Confident	94.4	Very high	43 Å²	43	62.4 Å²	62.4	44%	0.443	33%	0.333	S	S	.	.	S	Bend	trans	83.6	2	-179.8	0	0	0	0	0	115.4	D167	D167-G170 PolarHBondContact O-N 2.95Å; D167-G170 PolarHBondContact OD1-N 3.15Å
171	R	91.5	Very high	94.4	Very high	174 Å²	174	65.8 Å²	65.8	66%	0.657	35%	0.348	S	S	*	.			trans	-79.4	151.3	-178.6	-60.2	171.4	-174.1	-167	0.8	111.2	R166 D167 S169 L173	R166-R171 CarbonylContact C-O 3.51Å; R166-R171 WeakPolarHBondContact CA-O 3.42Å; D167-R171 PolarHBondContact N-O 2.88Å; D167-R171 PolarHBondContact OD1-N 3Å; S169-R171 VanDerWaalsContact OG-CD 3.31Å; S169-R171 WeakPolarHBondContact OG-CD 3.33Å; S169-R171 WeakPolarHBondContact OG-CG 3.35Å; S169-R171 PolarHBondContact OG-NE 3.46Å; R171-L173 PolarHBondContact O-N 2.94Å
172	P	93.4	Very high	94.4	Very high	107 Å²	107	66.5 Å²	66.5	70%	0.695	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.4	117.7	176.4	27.8	-34	0	0	0	111.4	T164	T164-P172 HydrophobicContact CG2-CB 3.77Å
173	L	94.4	Very high	94.4	Very high	67 Å²	67	64.5 Å²	64.5	35%	0.351	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	109.8	174.9	177.1	64.2	0	0	0	109.1	P19 T164 V165 D167 R171 L175	P19-L173 HydrophobicContact CG-CD2 3.87Å; T164-L173 WeakPolarHBondContact CA-O 3.26Å; V165-L173 HydrophobicContact CG2-CB 3.97Å; V165-L173 HydrophobicContact CG2-CD2 4.01Å; V165-L173 HydrophobicContact CG2-CG 4.22Å; V165-L173 PolarHBondContact N-O 3.33Å; V165-L173 PolarHBondContact O-N 2.7Å; D167-L173 HydrophobicContact CB-CB 4.29Å; R171-L173 PolarHBondContact O-N 2.94Å; L173-L175 HydrophobicContact CD2-CD2 4.18Å; L173-L175 HydrophobicContact CG-CD2 4.1Å
174	R	94.9	Very high	94.3	Very high	204 Å²	204	65.6 Å²	65.6	77%	0.77	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.4	122.6	173.3	-70.9	-174.9	172.1	-166.9	-2.1	109.7	T164	T164-R174 HydrophobicContact CG2-CG 4.21Å
175	L	95.8	Very high	94.3	Very high	13 Å²	13	64.8 Å²	64.8	7%	0.068	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-81.4	154.3	175.4	-52.9	-170.8	0	0	0	110.2	P19 V21 I63 V163 V165 L173	P19-L175 HydrophobicContact CB-CD1 4.45Å; P19-L175 HydrophobicContact CB-CD2 4.32Å; P19-L175 HydrophobicContact CG-CD2 3.95Å; P19-L175 WeakPolarHBondContact O-CD2 3.38Å; V21-L175 HydrophobicContact CG2-CB 4.35Å; V21-L175 HydrophobicContact CG2-CD1 3.8Å; I63-L175 HydrophobicContact CG2-CD1 4.43Å; V163-L175 HydrophobicContact CB-CD1 4.22Å; V163-L175 HydrophobicContact CB-CG 4.49Å; V163-L175 HydrophobicContact CG1-CD1 3.9Å; V163-L175 HydrophobicContact CG1-CG 4.38Å; V163-L175 PolarHBondContact O-N 3.19Å; V165-L175 HydrophobicContact CG1-CD1 4.03Å; V165-L175 HydrophobicContact CG1-CG 4.49Å; V165-L175 HydrophobicContact CG2-CD1 4.48Å; V165-L175 HydrophobicContact CG2-CD2 3.89Å; V165-L175 HydrophobicContact CG2-CG 4.31Å; L173-L175 HydrophobicContact CD2-CD2 4.18Å; L173-L175 HydrophobicContact CG-CD2 4.1Å
176	P	95.3	Very high	94.2	Very high	94 Å²	94	67.3 Å²	67.3	61%	0.61	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-53.9	133.8	173.6	-26.2	35.5	0	0	0	111.5
177	P	96.6	Very high	94.2	Very high	47 Å²	47	69.8 Å²	69.8	31%	0.305	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-63.4	136.7	178	-21	32.2	0	0	0	111.9	F141 F161 Q162	F141-P177 HydrophobicContact CE1-CB 4.2Å; F141-P177 HydrophobicContact CZ-CB 4.17Å; F161-P177 WeakPolarHBondContact O-CA 3.4Å; Q162-P177 HydrophobicContact CG-CB 4.25Å; Q162-P177 HydrophobicContact CG-CG 4.41Å
178	V	98.1	Very high	94.2	Very high	37 Å²	37	68 Å²	68	22%	0.224	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	133.7	178.9	-176.4	0	0	0	0	110.1	V21 I23 F161	V21-V178 HydrophobicContact CB-CG2 3.92Å; V21-V178 HydrophobicContact CG1-CG2 4.47Å; I23-V178 HydrophobicContact CD1-CG1 3.9Å; I23-V178 HydrophobicContact CG1-CG1 3.98Å; F161-V178 PolarHBondContact N-O 3.18Å; F161-V178 PolarHBondContact O-N 3.1Å
179	L	98.5	Very high	94.3	Very high	37 Å²	37	62.4 Å²	62.4	19%	0.194	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	139.3	179.7	-66	-177.2	0	0	0	112.3	I23 V77 H83 F141 L159 C160	I23-L179 WeakPolarHBondContact CD1-O 3.27Å; V77-L179 HydrophobicContact CG2-CD2 3.59Å; H83-L179 HydrophobicContact CB-CD1 4.48Å; F141-L179 HydrophobicContact CE2-CD1 4.36Å; F141-L179 HydrophobicContact CE2-CD2 3.87Å; F141-L179 HydrophobicContact CE2-CG 4.41Å; F141-L179 HydrophobicContact CZ-CD1 4Å; F141-L179 HydrophobicContact CZ-CD2 3.77Å; F141-L179 HydrophobicContact CZ-CG 3.89Å; L159-L179 WeakPolarHBondContact O-CA 3.3Å; C160-L179 HydrophobicContact CB-CD2 3.63Å
180	S	98.6	Very high	94.4	Very high	0 Å²	0	62 Å²	62	0%	0	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-72.3	168.8	168.4	72.9	0	0	0	0	112.9	Q26 R158 L159	Q26-S180 VanDerWaalsContact OE1-CA 3.28Å; R158-S180 PolarHBondContact NH1-O 2.85Å; L159-S180 PolarHBondContact N-OG 2.79Å; L159-S180 PolarHBondContact O-N 3.04Å
181	H	98.3	Very high	94.7	Very high	71 Å²	71	60.5 Å²	60.5	33%	0.329	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-55.4	149.1	153.4	-66.1	172.1	0	0	0	110.3	Q26 Q29 E49	Q26-H181 PolarHBondContact NE2-CD2 3.36Å; Q26-H181 PolarHBondContact NE2-NE2 2.98Å; Q29-H181 HydrophobicContact CG-CB 3.86Å; E49-H181 IonicContact OE1-CE1 2.88Å; E49-H181 IonicContact OE1-ND1 3.12Å; E49-H181 PolarHBondContact OE1-ND1 3.35Å
182	P	97.7	Very high	94.7	Very high	16 Å²	16	52.7 Å²	52.7	10%	0.104	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-67.7	142.9	179.9	29.2	-35	0	0	0	112.2	Q29 K79 V157 R158 F184	Q29-P182 WeakPolarHBondContact CA-O 3.13Å; Q29-P182 VanDerWaalsContact CB-O 3.28Å; Q29-P182 WeakPolarHBondContact CB-O 3.29Å; Q29-P182 VanDerWaalsContact CG-O 3.31Å; Q29-P182 WeakPolarHBondContact CG-O 3.46Å; K79-P182 HydrophobicContact CD-CB 4.36Å; K79-P182 HydrophobicContact CG-CB 3.94Å; K79-P182 HydrophobicContact CG-CG 4.48Å; V157-P182 CarbonylContact O-C 3.57Å; V157-P182 WeakPolarHBondContact O-CA 3.46Å; R158-P182 HydrophobicContact CG-CB 4.19Å; P182-F184 HydrophobicContact CB-CE2 4.07Å; P182-F184 HydrophobicContact CB-CZ 4Å; P182-F184 HydrophobicContact CG-CE2 3.76Å; P182-F184 HydrophobicContact CG-CZ 3.82Å
183	I	98	Very high	94.8	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	128.7	173.2	-49.3	173.5	0	0	0	107.2	P27 F34 I46 I118 A156 V157 L159	P27-I183 HydrophobicContact CB-CD1 3.58Å; P27-I183 HydrophobicContact CB-CG1 3.81Å; P27-I183 HydrophobicContact CG-CD1 3.8Å; P27-I183 HydrophobicContact CG-CG1 3.73Å; F34-I183 HydrophobicContact CE1-CG2 3.94Å; F34-I183 HydrophobicContact CZ-CG2 4.33Å; I46-I183 HydrophobicContact CD1-CD1 4.28Å; I46-I183 HydrophobicContact CG2-CD1 4.01Å; I118-I183 HydrophobicContact CD1-CB 4.46Å; I118-I183 HydrophobicContact CD1-CD1 4.06Å; I118-I183 HydrophobicContact CD1-CG2 4.14Å; A156-I183 WeakPolarHBondContact CA-O 3.41Å; V157-I183 HydrophobicContact CG2-CB 4.13Å; V157-I183 PolarHBondContact N-O 2.95Å; V157-I183 PolarHBondContact O-N 2.98Å; L159-I183 HydrophobicContact CD1-CD1 4.27Å; L159-I183 HydrophobicContact CD2-CD1 4.12Å; L159-I183 HydrophobicContact CG-CD1 3.96Å
184	F	96.9	Very high	94.9	Very high	23 Å²	23	48.1 Å²	48.1	10%	0.101	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	142.8	-176.2	-65.4	-76.8	0	0	0	112.1	Q29 R30 K79 N155 A156 P182 N186 T191	Q29-F184 HydrophobicContact CB-CD2 4.46Å; Q29-F184 WeakPolarHBondContact O-CD2 3.44Å; Q29-F184 PolarHBondContact O-N 3.14Å; R30-F184 HydrophobicContact CG-CB 4.28Å; R30-F184 HydrophobicContact CG-CD2 4.05Å; K79-F184 HydrophobicContact CD-CE1 4.09Å; K79-F184 HydrophobicContact CD-CZ 4.23Å; N155-F184 CarbonylContact O-C 3.56Å; N155-F184 VanDerWaalsContact O-CA 3.26Å; N155-F184 WeakPolarHBondContact O-CA 3.36Å; A156-F184 HydrophobicContact CB-CD1 3.67Å; A156-F184 HydrophobicContact CB-CE1 3.69Å; P182-F184 HydrophobicContact CB-CE2 4.07Å; P182-F184 HydrophobicContact CB-CZ 4Å; P182-F184 HydrophobicContact CG-CE2 3.76Å; P182-F184 HydrophobicContact CG-CZ 3.82Å; F184-N186 PolarHBondContact O-N 3.49Å; F184-T191 HydrophobicContact CD1-CG2 3.86Å; F184-T191 HydrophobicContact CE1-CG2 4.44Å
185	D	95.9	Very high	95	Very high	13 Å²	13	43.3 Å²	43.3	7%	0.07	22%	0.221	C	C	.	.			trans	-76.1	113.8	177.5	-168.1	-1.9	0	0	0	111.3	R33 F34 N155 R187 A188 T191	R33-D185 VanDerWaalsContact CA-OD1 3.29Å; R33-D185 WeakPolarHBondContact CA-OD1 3.41Å; F34-D185 HydrophobicContact CD1-CB 4.44Å; F34-D185 HydrophobicContact CD2-CB 3.61Å; F34-D185 HydrophobicContact CE2-CB 3.76Å; F34-D185 HydrophobicContact CG-CB 3.97Å; F34-D185 HydrophobicContact CZ-CB 4.23Å; F34-D185 PolarHBondContact N-OD1 2.86Å; N155-D185 PolarHBondContact O-N 3.17Å; D185-R187 PolarHBondContact O-N 3.21Å; D185-R187 VanDerWaalsContact OD1-CB 3.3Å; D185-R187 WeakPolarHBondContact OD1-CB 3.37Å; D185-R187 PolarHBondContact OD1-N 2.78Å; D185-A188 PolarHBondContact O-N 3.4Å; D185-A188 VanDerWaalsContact O-N 3.1Å; D185-T191 PolarHBondContact O-OG1 3.17Å
186	N	93.9	Very high	95.1	Very high	56 Å²	56	43.5 Å²	43.5	30%	0.299	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-1.9	174.7	-156.5	29.4	0	0	0	113.8	G31 M32 R33 F184 A192 E193	G31-N186 WeakPolarHBondContact CA-ND2 3.16Å; G31-N186 PolarHBondContact O-ND2 2.81Å; M32-N186 WeakPolarHBondContact O-CB 3.45Å; M32-N186 PolarHBondContact O-N 2.93Å; R33-N186 HydrophobicContact CB-CB 4.46Å; F184-N186 PolarHBondContact O-N 3.49Å; N186-A192 WeakPolarHBondContact OD1-CA 3.33Å; N186-A192 WeakPolarHBondContact OD1-CB 3.44Å; N186-E193 PolarHBondContact OD1-N 2.84Å
187	R	91.8	Very high	95.2	Very high	193 Å²	193	41.9 Å²	41.9	73%	0.728	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-25.4	169.5	-169.5	55.9	170.1	-168.6	-1.9	113.4	D185	D185-R187 PolarHBondContact O-N 3.21Å; D185-R187 VanDerWaalsContact OD1-CB 3.3Å; D185-R187 WeakPolarHBondContact OD1-CB 3.37Å; D185-R187 PolarHBondContact OD1-N 2.78Å
188	A	88.9	Confident	95.2	Very high	9 Å²	9	48.5 Å²	48.5	7%	0.074	23%	0.231	C	C	.	.	S	Bend	trans	-97.1	115.3	-172.5	0	0	0	0	0	111	N155 D185 N190 T191 A192	N155-A188 HydrophobicContact CB-CB 4.12Å; N155-A188 VanDerWaalsContact OD1-CB 3.26Å; N155-A188 WeakPolarHBondContact OD1-CB 3.48Å; D185-A188 PolarHBondContact O-N 3.4Å; D185-A188 VanDerWaalsContact O-N 3.1Å; A188-N190 WeakPolarHBondContact CB-OD1 3.2Å; A188-N190 PolarHBondContact O-N 3.36Å; A188-T191 CarbonylContact O-C 3.49Å; A188-T191 PolarHBondContact O-N 2.94Å; A188-T191 PolarHBondContact O-OG1 3.12Å; A188-A192 WeakPolarHBondContact O-CB 3.46Å; A188-A192 PolarHBondContact O-N 3.47Å
189	P	86.6	Confident	95.2	Very high	30 Å²	30	48.3 Å²	48.3	20%	0.195	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-17.8	-169.5	-24.4	34.1	0	0	0	115.9	K218 Q220 R274	P189-K218 HydrophobicContact CB-CB 4.45Å; P189-K218 HydrophobicContact CG-CB 4.48Å; P189-Q220 HydrophobicContact CB-CG 4.24Å; P189-R274 PolarHBondContact O-NH1 3.45Å; P189-R274 PolarHBondContact O-NH2 2.84Å
190	N	91.1	Very high	95.2	Very high	69 Å²	69	51 Å²	51	37%	0.369	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-19.7	173.6	60.9	-47.2	0	0	0	113.3	A188 R274	A188-N190 WeakPolarHBondContact CB-OD1 3.2Å; A188-N190 PolarHBondContact O-N 3.36Å; N190-R274 WeakPolarHBondContact O-CD 3.41Å; N190-R274 PolarHBondContact O-NE 2.95Å
191	T	91.9	Very high	95	Very high	10 Å²	10	56 Å²	56	6%	0.061	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124	-3.3	-180	62.2	0	0	0	0	113.9	R30 N155 F184 D185 A188	R30-T191 PolarHBondContact NH1-O 2.68Å; N155-T191 HydrophobicContact CB-CG2 4.12Å; F184-T191 HydrophobicContact CD1-CG2 3.86Å; F184-T191 HydrophobicContact CE1-CG2 4.44Å; D185-T191 PolarHBondContact O-OG1 3.17Å; A188-T191 CarbonylContact O-C 3.49Å; A188-T191 PolarHBondContact O-N 2.94Å; A188-T191 PolarHBondContact O-OG1 3.12Å
192	A	93.2	Very high	95	Very high	10 Å²	10	57.1 Å²	57.1	8%	0.083	27%	0.272	C	S	.	.	S	Bend	trans	-59.1	155.4	176	0	0	0	0	0	113.5	N186 A188 R274	N186-A192 WeakPolarHBondContact OD1-CA 3.33Å; N186-A192 WeakPolarHBondContact OD1-CB 3.44Å; A188-A192 WeakPolarHBondContact O-CB 3.46Å; A188-A192 PolarHBondContact O-N 3.47Å; A192-R274 PolarHBondContact O-NH2 3.45Å
193	E	94.5	Very high	94.9	Very high	70 Å²	70	58 Å²	58	33%	0.327	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-64	128.4	171	-170.2	168.6	-140	0	0	109.1	K28 R30 G31 N186	K28-E193 IonicContact NZ-OE1 3.74Å; K28-E193 PolarHBondContact NZ-OE1 2.88Å; R30-E193 HydrophobicContact CB-CB 4.18Å; G31-E193 WeakPolarHBondContact CA-OE2 3.24Å; N186-E193 PolarHBondContact OD1-N 2.84Å
194	L	96.5	Very high	94.8	Very high	9 Å²	9	58.3 Å²	58.3	5%	0.047	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-80.3	131.6	176.6	-68	179.6	0	0	0	109.9	V219 I224 L272 R274 E279 S281	L194-V219 HydrophobicContact CD2-CG1 4.03Å; L194-I224 HydrophobicContact CD1-CD1 4.35Å; L194-I224 HydrophobicContact CD2-CD1 3.79Å; L194-L272 HydrophobicContact CB-CB 4.25Å; L194-L272 HydrophobicContact CD1-CB 4.08Å; L194-R274 HydrophobicContact CD1-CB 4.03Å; L194-E279 HydrophobicContact CD1-CB 4.29Å; L194-E279 HydrophobicContact CD1-CG 4.26Å; L194-E279 HydrophobicContact CG-CG 4.28Å; L194-S281 WeakPolarHBondContact O-CA 3.37Å; L194-S281 WeakPolarHBondContact O-CB 3.41Å
195	K	96.3	Very high	94.7	Very high	102 Å²	102	58.3 Å²	58.3	44%	0.443	28%	0.284	S	S	.	.			trans	-142.1	126.2	-179.1	-171.8	170.3	-174.4	164.8	0	112.6	C216 D217	K195-C216 VanDerWaalsContact O-CA 3.24Å; K195-C216 WeakPolarHBondContact O-CA 3.34Å; K195-C216 WeakPolarHBondContact O-CB 3.48Å; K195-D217 HydrophobicContact CB-CB 4.27Å; K195-D217 PolarHBondContact O-N 2.91Å; K195-D217 VanDerWaalsContact O-N 3.16Å
196	I	98.1	Very high	94.7	Very high	18 Å²	18	57.7 Å²	57.7	9%	0.092	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	121.2	164	-59.1	175.9	0	0	0	107.5	V199 L214 L272 M284	I196-V199 HydrophobicContact CG2-CG2 3.62Å; I196-L214 HydrophobicContact CD1-CD1 3.98Å; I196-L214 HydrophobicContact CG1-CD1 4.14Å; I196-L214 HydrophobicContact CG1-CD2 4.42Å; I196-L214 HydrophobicContact CG2-CD1 4.28Å; I196-L214 HydrophobicContact CG2-CD2 4.46Å; I196-L214 HydrophobicContact CG2-CG 4.09Å; I196-L272 HydrophobicContact CD1-CG 4.31Å; I196-L272 HydrophobicContact CG1-CD1 3.92Å; I196-L272 HydrophobicContact CG1-CG 3.75Å; I196-M284 HydrophobicContact CB-CE 4.17Å; I196-M284 HydrophobicContact CD1-CB 4.28Å; I196-M284 HydrophobicContact CG2-CE 3.54Å; I196-M284 HydrophobicContact CG2-SD 4.01Å
197	C	97.5	Very high	94.8	Very high	59 Å²	59	59 Å²	59	40%	0.399	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	-45.1	-178.6	-67.8	0	0	0	0	111.6	L215	C197-L215 WeakPolarHBondContact CB-O 3.38Å; C197-L215 PolarHBondContact N-O 3.1Å
198	R	97.7	Very high	95.1	Very high	186 Å²	186	50.6 Å²	50.6	70%	0.702	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-154.1	157.3	176.3	-64.3	-170.7	178.9	177	-0.2	110.9	L215	R198-L215 HydrophobicContact CB-CB 4.34Å; R198-L215 HydrophobicContact CB-CD1 4.28Å; R198-L215 HydrophobicContact CB-CG 4.49Å; R198-L215 PolarHBondContact N-O 2.81Å; R198-L215 PolarHBondContact O-N 2.85Å
199	V	98.1	Very high	95.4	Very high	33 Å²	33	52.3 Å²	52.3	20%	0.2	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	140.4	173.8	-173.5	0	0	0	0	108.5	I196 R201 I212 F213 L214 M270 M284	I196-V199 HydrophobicContact CG2-CG2 3.62Å; V199-R201 VanDerWaalsContact CG1-O 3.26Å; V199-R201 WeakPolarHBondContact CG1-O 3.5Å; V199-I212 HydrophobicContact CG1-CG2 3.34Å; V199-F213 WeakPolarHBondContact CA-O 3.44Å; V199-L214 HydrophobicContact CG2-CB 4.47Å; V199-L214 HydrophobicContact CG2-CD1 4.34Å; V199-L214 HydrophobicContact CG2-CG 4.13Å; V199-M270 HydrophobicContact CG1-CE 4.22Å; V199-M270 HydrophobicContact CG2-CE 3.86Å; V199-M284 HydrophobicContact CB-SD 4.11Å; V199-M284 HydrophobicContact CG2-CE 4.41Å; V199-M284 HydrophobicContact CG2-SD 3.44Å; V199-M284 WeakPolarHBondContact CG2-SD 3.44Å
200	N	97.8	Very high	95.9	Very high	93 Å²	93	52.5 Å²	52.5	50%	0.497	28%	0.278	S	S	.	.	S	Bend	trans	-72.2	-27.6	180	72.3	-34.7	0	0	0	113.8	I212 F213	N200-I212 WeakPolarHBondContact OD1-CA 3.31Å; N200-F213 HydrophobicContact CB-CB 4.16Å; N200-F213 PolarHBondContact N-O 2.89Å; N200-F213 PolarHBondContact OD1-N 2.83Å; N200-F213 PolarHBondContact OD1-O 2.9Å
201	R	95.1	Very high	96.3	Very high	105 Å²	105	53.1 Å²	53.1	40%	0.396	28%	0.279	S	S	.	.			trans	-148.5	127	-175.5	-167.4	-169.8	-65.3	-172.8	2.3	110.2	V199 S203 D210	V199-R201 VanDerWaalsContact CG1-O 3.26Å; V199-R201 WeakPolarHBondContact CG1-O 3.5Å; R201-S203 WeakPolarHBondContact CD-O 3.15Å; R201-S203 WeakPolarHBondContact CG-O 3.35Å; R201-D210 IonicContact CZ-OD1 3.82Å; R201-D210 IonicContact NH1-OD1 3.5Å; R201-D210 PolarHBondContact NH1-OD1 3.44Å
202	N	96.6	Very high	96.6	Very high	96 Å²	96	52.7 Å²	52.7	51%	0.513	28%	0.276	S	S	.	.	S	Bend	trans	-112.9	18.9	179.3	65.9	-20.8	0	0	0	113.2	F286 Q287	N202-F286 VanDerWaalsContact C-CD2 3.43Å; N202-F286 CarbonylContact O-C 3.54Å; N202-F286 WeakPolarHBondContact O-CA 3.43Å; N202-Q287 PolarHBondContact O-N 2.96Å
203	S	96.7	Very high	96.8	Very high	35 Å²	35	57.2 Å²	57.2	25%	0.245	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	155.1	173.1	61.5	0	0	0	0	111.9	R201 Q287	R201-S203 WeakPolarHBondContact CD-O 3.15Å; R201-S203 WeakPolarHBondContact CG-O 3.35Å; S203-Q287 CarbonylContact C-O 3.55Å; S203-Q287 WeakPolarHBondContact CA-O 3.27Å; S203-Q287 VanDerWaalsContact CB-O 3.26Å; S203-Q287 WeakPolarHBondContact CB-O 3.28Å
204	G	95.8	Very high	97	Very high	5 Å²	5	53.9 Å²	53.9	5%	0.052	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.4	172.1	-176.3	0	0	0	0	0	113.6	D210 Q287 Y288 L289	G204-D210 WeakPolarHBondContact CA-OD2 3.27Å; G204-Q287 PolarHBondContact N-O 3.14Å; G204-Y288 CarbonylContact O-C 3.42Å; G204-Y288 WeakPolarHBondContact O-CA 3.46Å; G204-L289 WeakPolarHBondContact O-CB 3.38Å; G204-L289 PolarHBondContact O-N 3.2Å
205	S	95.6	Very high	97.1	Very high	24 Å²	24	57.6 Å²	57.6	17%	0.168	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	142.2	177.7	177.3	0	0	0	0	111	L207 G208 D210 Y288 D291	S205-L207 PolarHBondContact O-N 3.42Å; S205-L207 VanDerWaalsContact O-N 3.14Å; S205-L207 PolarHBondContact OG-N 2.82Å; S205-G208 PolarHBondContact O-N 2.94Å; S205-D210 PolarHBondContact N-OD2 2.77Å; S205-Y288 WeakPolarHBondContact O-CD1 3.46Å; S205-D291 PolarHBondContact OG-OD1 2.65Å
206	C	95.8	Very high	97.2	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-17.7	171.7	57	0	0	0	0	113.5	G208 Y257 P260 L262 L289 D291	C206-G208 VanDerWaalsContact C-N 3.26Å; C206-G208 PolarHBondContact O-N 2.91Å; C206-Y257 WeakPolarHBondContact O-CB 3.47Å; C206-Y257 PolarHBondContact O-N 3.2Å; C206-P260 PolarHBondContact SG-O 3.18Å; C206-P260 VanDerWaalsContact SG-O 3.36Å; C206-L262 HydrophobicContact CB-CB 3.86Å; C206-L262 HydrophobicContact CB-CD2 4.07Å; C206-L289 PolarHBondContact N-O 2.86Å; C206-L289 PolarHBondContact SG-O 2.92Å; C206-D291 PolarHBondContact SG-N 2.95Å; C206-D291 VanDerWaalsContact SG-N 3.45Å
207	L	96.2	Very high	97.1	Very high	84 Å²	84	56 Å²	56	44%	0.44	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-12.3	172.4	-57.6	-175.4	0	0	0	113.7	S205 P256 P260 D291	S205-L207 PolarHBondContact O-N 3.42Å; S205-L207 VanDerWaalsContact O-N 3.14Å; S205-L207 PolarHBondContact OG-N 2.82Å; L207-P256 WeakPolarHBondContact O-CB 3.3Å; L207-P256 WeakPolarHBondContact O-CG 3.38Å; L207-P260 HydrophobicContact CD2-CB 3.84Å; L207-D291 HydrophobicContact CD1-CB 3.99Å; L207-D291 VanDerWaalsContact CD1-CG 3.4Å; L207-D291 WeakPolarHBondContact CD1-OD2 3.33Å; L207-D291 HydrophobicContact CG-CB 3.92Å
208	G	96.4	Very high	97	Very high	16 Å²	16	59.3 Å²	59.3	17%	0.165	30%	0.303	C	S	.	.			trans	73.5	-165.8	-175.6	0	0	0	0	0	113.4	S205 C206 D210 T254 P255	S205-G208 PolarHBondContact O-N 2.94Å; C206-G208 VanDerWaalsContact C-N 3.26Å; C206-G208 PolarHBondContact O-N 2.91Å; G208-D210 VanDerWaalsContact C-N 3.33Å; G208-D210 PolarHBondContact O-N 3.36Å; G208-T254 WeakPolarHBondContact CA-OG1 3.17Å; G208-P255 WeakPolarHBondContact CA-O 3.26Å
209	G	96.8	Very high	97	Very high	44 Å²	44	50.6 Å²	50.6	45%	0.454	27%	0.27	S	S	.	.			trans	85	-5.2	178.8	0	0	0	0	0	115.5	E211 T254	G209-E211 PolarHBondContact O-N 3.49Å; G209-T254 PolarHBondContact N-O 2.92Å; G209-T254 PolarHBondContact N-OG1 2.88Å; G209-T254 VanDerWaalsContact N-OG1 3.17Å
210	D	96.9	Very high	96.9	Very high	35 Å²	35	51.6 Å²	51.6	19%	0.187	27%	0.272	C	S	.	.			trans	-66.4	127	176.6	-79.9	-61.7	0	0	0	111.1	R201 G204 S205 G208 R253 T254	R201-D210 IonicContact CZ-OD1 3.82Å; R201-D210 IonicContact NH1-OD1 3.5Å; R201-D210 PolarHBondContact NH1-OD1 3.44Å; G204-D210 WeakPolarHBondContact CA-OD2 3.27Å; S205-D210 PolarHBondContact N-OD2 2.77Å; G208-D210 VanDerWaalsContact C-N 3.33Å; G208-D210 PolarHBondContact O-N 3.36Å; D210-R253 VanDerWaalsContact O-CA 3.29Å; D210-R253 WeakPolarHBondContact O-CA 3.46Å; D210-T254 HydrophobicContact CB-CG2 4.13Å; D210-T254 PolarHBondContact N-OG1 2.94Å; D210-T254 PolarHBondContact O-N 3.38Å
211	E	98.3	Very high	96.9	Very high	82 Å²	82	51.4 Å²	51.4	38%	0.383	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	122.6	179.7	-163.9	168.7	96.2	0	0	111.6	G209 F213 V251 F252 R253	G209-E211 PolarHBondContact O-N 3.49Å; E211-F213 HydrophobicContact CG-CE2 4.36Å; E211-V251 HydrophobicContact CG-CG1 3.77Å; E211-F252 WeakPolarHBondContact CA-O 3.34Å; E211-R253 HydrophobicContact CB-CG 4.39Å; E211-R253 IonicContact OE2-CZ 3.38Å; E211-R253 IonicContact OE2-NE 2.84Å; E211-R253 PolarHBondContact OE2-NE 2.86Å; E211-R253 IonicContact OE2-NH2 3.67Å; E211-R253 PolarHBondContact OE2-NH2 2.85Å
212	I	98.5	Very high	96.9	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	134.6	-174.6	-64.5	-176.6	0	0	0	109.6	V199 N200 V251 F252 T254 F286	V199-I212 HydrophobicContact CG1-CG2 3.34Å; N200-I212 WeakPolarHBondContact OD1-CA 3.31Å; I212-V251 WeakPolarHBondContact O-CA 3.37Å; I212-F252 HydrophobicContact CB-CD1 4.22Å; I212-F252 HydrophobicContact CB-CE1 3.68Å; I212-F252 HydrophobicContact CB-CE2 4.17Å; I212-F252 HydrophobicContact CB-CZ 3.64Å; I212-F252 HydrophobicContact CD1-CE2 4.13Å; I212-F252 HydrophobicContact CD1-CZ 3.85Å; I212-F252 HydrophobicContact CG1-CZ 4.27Å; I212-F252 HydrophobicContact CG2-CD1 4.34Å; I212-F252 HydrophobicContact CG2-CE1 3.47Å; I212-F252 VanDerWaalsContact CG2-CE1 3.47Å; I212-F252 HydrophobicContact CG2-CZ 3.62Å; I212-F252 PolarHBondContact N-O 3.05Å; I212-F252 PolarHBondContact O-N 2.95Å; I212-T254 HydrophobicContact CD1-CG2 3.35Å; I212-T254 HydrophobicContact CG1-CG2 4.14Å; I212-F286 HydrophobicContact CD1-CD2 4.2Å; I212-F286 HydrophobicContact CD1-CE2 3.49Å; I212-F286 VanDerWaalsContact CD1-CE2 3.49Å; I212-F286 HydrophobicContact CD1-CZ 4.17Å
213	F	98.6	Very high	97	Very high	105 Å²	105	48.2 Å²	48.2	46%	0.461	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	111.6	171.9	-73.1	-113	0	0	0	107.8	V199 N200 E211 V251	V199-F213 WeakPolarHBondContact CA-O 3.44Å; N200-F213 HydrophobicContact CB-CB 4.16Å; N200-F213 PolarHBondContact N-O 2.89Å; N200-F213 PolarHBondContact OD1-N 2.83Å; N200-F213 PolarHBondContact OD1-O 2.9Å; E211-F213 HydrophobicContact CG-CE2 4.36Å; F213-V251 HydrophobicContact CD1-CG2 3.69Å; F213-V251 HydrophobicContact CD2-CG1 4.38Å; F213-V251 HydrophobicContact CE1-CG2 3.58Å; F213-V251 HydrophobicContact CE2-CG1 4.04Å; F213-V251 HydrophobicContact CE2-CG2 4.49Å; F213-V251 HydrophobicContact CG-CG2 4.21Å; F213-V251 HydrophobicContact CZ-CG1 4.11Å; F213-V251 HydrophobicContact CZ-CG2 4Å
214	L	98.6	Very high	97	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	125.7	-179.8	-178.8	156.8	0	0	0	108.9	I196 V199 C216 V226 A249 I250 F252 L272	I196-L214 HydrophobicContact CD1-CD1 3.98Å; I196-L214 HydrophobicContact CG1-CD1 4.14Å; I196-L214 HydrophobicContact CG1-CD2 4.42Å; I196-L214 HydrophobicContact CG2-CD1 4.28Å; I196-L214 HydrophobicContact CG2-CD2 4.46Å; I196-L214 HydrophobicContact CG2-CG 4.09Å; V199-L214 HydrophobicContact CG2-CB 4.47Å; V199-L214 HydrophobicContact CG2-CD1 4.34Å; V199-L214 HydrophobicContact CG2-CG 4.13Å; L214-C216 HydrophobicContact CD2-CB 3.77Å; L214-V226 HydrophobicContact CD1-CG1 4.46Å; L214-V226 HydrophobicContact CD1-CG2 4.44Å; L214-A249 CarbonylContact O-C 3.5Å; L214-A249 WeakPolarHBondContact O-CA 3.11Å; L214-A249 WeakPolarHBondContact O-CB 3.39Å; L214-I250 PolarHBondContact N-O 3.27Å; L214-I250 PolarHBondContact O-N 2.81Å; L214-F252 HydrophobicContact CB-CE1 4.02Å; L214-F252 HydrophobicContact CD1-CE1 4.05Å; L214-L272 HydrophobicContact CD1-CD2 4.42Å; L214-L272 HydrophobicContact CD2-CD1 4.42Å; L214-L272 HydrophobicContact CD2-CD2 4.11Å
215	L	98.7	Very high	97.1	Very high	87 Å²	87	48.1 Å²	48.1	46%	0.455	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	133.3	172.2	-55.6	-174.9	0	0	0	109	C197 R198 A249	C197-L215 WeakPolarHBondContact CB-O 3.38Å; C197-L215 PolarHBondContact N-O 3.1Å; R198-L215 HydrophobicContact CB-CB 4.34Å; R198-L215 HydrophobicContact CB-CD1 4.28Å; R198-L215 HydrophobicContact CB-CG 4.49Å; R198-L215 PolarHBondContact N-O 2.81Å; R198-L215 PolarHBondContact O-N 2.85Å; L215-A249 HydrophobicContact CD2-CB 3.67Å
216	C	97.9	Very high	97.3	Very high	8 Å²	8	47 Å²	47	5%	0.054	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	167.8	-175	61.1	0	0	0	0	112.5	K195 L214 V248 L272	K195-C216 VanDerWaalsContact O-CA 3.24Å; K195-C216 WeakPolarHBondContact O-CA 3.34Å; K195-C216 WeakPolarHBondContact O-CB 3.48Å; L214-C216 HydrophobicContact CD2-CB 3.77Å; C216-V248 PolarHBondContact N-O 3.16Å; C216-V248 VanDerWaalsContact O-O 3.11Å; C216-L272 HydrophobicContact CB-CD1 3.68Å
217	D	96.1	Very high	97.4	Very high	79 Å²	79	48.4 Å²	48.4	42%	0.422	25%	0.247	S	C	.	.	S	Bend	trans	-68.8	175.9	162.5	-74.7	-19.9	0	0	0	110.8	K195 V219	K195-D217 HydrophobicContact CB-CB 4.27Å; K195-D217 PolarHBondContact O-N 2.91Å; K195-D217 VanDerWaalsContact O-N 3.16Å; D217-V219 PolarHBondContact O-N 2.84Å
218	K	96.1	Very high	97.5	Very high	129 Å²	129	44.4 Å²	44.4	56%	0.561	23%	0.226	S	C	*	.			trans	-64.8	117.1	-167.8	-70.3	-168.1	175.2	-163.9	0	113.7	P189 Q247 V248	P189-K218 HydrophobicContact CB-CB 4.45Å; P189-K218 HydrophobicContact CG-CB 4.48Å; K218-Q247 VanDerWaalsContact CA-O 3.3Å; K218-Q247 WeakPolarHBondContact CA-O 3.37Å; K218-V248 HydrophobicContact CG-CG1 4.17Å
219	V	96.8	Very high	97.6	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.012	23%	0.228	C	C	.	.			trans	-113.2	161.2	176.4	-64.2	0	0	0	0	112.9	L194 D217 I224 V244 Q247 L272	L194-V219 HydrophobicContact CD2-CG1 4.03Å; D217-V219 PolarHBondContact O-N 2.84Å; V219-I224 HydrophobicContact CB-CB 4.23Å; V219-I224 HydrophobicContact CB-CD1 4.01Å; V219-I224 HydrophobicContact CB-CG1 3.92Å; V219-I224 HydrophobicContact CG1-CD1 3.6Å; V219-I224 HydrophobicContact CG1-CG1 3.9Å; V219-I224 HydrophobicContact CG2-CG1 4.28Å; V219-I224 HydrophobicContact CG2-CG2 4.37Å; V219-V244 HydrophobicContact CG2-CG1 4.03Å; V219-Q247 PolarHBondContact N-O 3.2Å; V219-Q247 WeakPolarHBondContact O-CB 3.37Å; V219-Q247 VanDerWaalsContact O-CG 3.25Å; V219-Q247 WeakPolarHBondContact O-CG 3.44Å; V219-L272 HydrophobicContact CG1-CD1 4.45Å
220	Q	96.6	Very high	97.5	Very high	55 Å²	55	44.4 Å²	44.4	26%	0.257	22%	0.219	S	C	.	.			trans	-97	129.3	170.1	-62.6	-68.2	20.1	0	0	109.4	P189 E222 D223 I224	P189-Q220 HydrophobicContact CB-CG 4.24Å; Q220-E222 PolarHBondContact O-N 2.86Å; Q220-D223 HydrophobicContact CB-CB 4.33Å; Q220-D223 CarbonylContact O-C 3.48Å; Q220-D223 PolarHBondContact O-N 2.92Å; Q220-D223 VanDerWaalsContact O-N 3.14Å; Q220-I224 WeakPolarHBondContact O-CB 3.19Å; Q220-I224 WeakPolarHBondContact O-CG2 3.24Å; Q220-I224 PolarHBondContact O-N 3.04Å
221	K	96.4	Very high	97.3	Very high	88 Å²	88	48.3 Å²	48.3	38%	0.383	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-21.8	-171.8	67.9	-178.3	-171.1	-60	0	113.7	Q241 V244	K221-Q241 HydrophobicContact CB-CB 4.46Å; K221-Q241 HydrophobicContact CD-CB 4.25Å; K221-Q241 HydrophobicContact CG-CB 4.29Å; K221-V244 HydrophobicContact CB-CB 3.61Å; K221-V244 HydrophobicContact CB-CG1 3.78Å; K221-V244 HydrophobicContact CB-CG2 3.82Å
222	E	96.7	Very high	97.1	Very high	107 Å²	107	49 Å²	49	50%	0.5	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-16.4	176.9	-57.6	80.2	-179.2	0	0	113.3	Q220	Q220-E222 PolarHBondContact O-N 2.86Å
223	D	97	Very high	97	Very high	27 Å²	27	50.8 Å²	50.8	14%	0.144	28%	0.282	C	S	.	.	S	Bend	trans	-139.9	52.5	-168.6	-176.1	38.6	0	0	0	110.3	Q220 R274 P275 S276	Q220-D223 HydrophobicContact CB-CB 4.33Å; Q220-D223 CarbonylContact O-C 3.48Å; Q220-D223 PolarHBondContact O-N 2.92Å; Q220-D223 VanDerWaalsContact O-N 3.14Å; D223-R274 WeakPolarHBondContact OD2-CD 3.19Å; D223-R274 WeakPolarHBondContact OD2-CG 3.25Å; D223-P275 VanDerWaalsContact OD1-CD 3.3Å; D223-P275 WeakPolarHBondContact OD1-CD 3.44Å; D223-S276 VanDerWaalsContact CG-OG 3.28Å; D223-S276 VanDerWaalsContact OD1-CB 3.25Å; D223-S276 WeakPolarHBondContact OD1-CB 3.3Å; D223-S276 PolarHBondContact OD1-N 3.34Å; D223-S276 PolarHBondContact OD1-OG 2.88Å; D223-S276 VanDerWaalsContact OD2-CB 3.32Å; D223-S276 WeakPolarHBondContact OD2-CB 3.21Å; D223-S276 PolarHBondContact OD2-OG 3.4Å
224	I	98.2	Very high	96.9	Very high	12 Å²	12	51.2 Å²	51.2	6%	0.062	29%	0.286	C	S	.	.			trans	-150	139.6	175.4	-164.3	68	0	0	0	110	L194 V219 Q220 F239 V244 I250 L272	L194-I224 HydrophobicContact CD1-CD1 4.35Å; L194-I224 HydrophobicContact CD2-CD1 3.79Å; V219-I224 HydrophobicContact CB-CB 4.23Å; V219-I224 HydrophobicContact CB-CD1 4.01Å; V219-I224 HydrophobicContact CB-CG1 3.92Å; V219-I224 HydrophobicContact CG1-CD1 3.6Å; V219-I224 HydrophobicContact CG1-CG1 3.9Å; V219-I224 HydrophobicContact CG2-CG1 4.28Å; V219-I224 HydrophobicContact CG2-CG2 4.37Å; Q220-I224 WeakPolarHBondContact O-CB 3.19Å; Q220-I224 WeakPolarHBondContact O-CG2 3.24Å; Q220-I224 PolarHBondContact O-N 3.04Å; I224-F239 HydrophobicContact CG2-CE2 4.33Å; I224-F239 HydrophobicContact CG2-CZ 4.27Å; I224-F239 WeakPolarHBondContact O-CZ 3.49Å; I224-V244 HydrophobicContact CG2-CG2 4.31Å; I224-I250 HydrophobicContact CG1-CD1 4.02Å; I224-I250 HydrophobicContact CG2-CD1 4.27Å; I224-L272 HydrophobicContact CD1-CB 4.2Å; I224-L272 HydrophobicContact CD1-CD2 4.28Å; I224-L272 HydrophobicContact CG1-CD2 4.22Å
225	E	98.2	Very high	96.9	Very high	26 Å²	26	52.1 Å²	52.1	12%	0.121	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	152.8	168.4	66.7	-175.4	-149.5	0	0	110.5	R236 R273 P275	E225-R236 VanDerWaalsContact CD-NE 3.26Å; E225-R236 IonicContact OE1-CZ 2.75Å; E225-R236 IonicContact OE1-NE 3.17Å; E225-R236 PolarHBondContact OE1-NE 3.28Å; E225-R236 IonicContact OE1-NH2 3.99Å; E225-R236 VanDerWaalsContact OE2-CD 3.29Å; E225-R236 WeakPolarHBondContact OE2-CD 3.47Å; E225-R236 IonicContact OE2-NE 3.22Å; E225-R236 PolarHBondContact OE2-NE 2.95Å; E225-R273 VanDerWaalsContact CD-NH1 3.32Å; E225-R273 HydrophobicContact CG-CB 3.78Å; E225-R273 HydrophobicContact CG-CG 4.17Å; E225-R273 PolarHBondContact N-O 3.49Å; E225-R273 PolarHBondContact O-N 3.43Å; E225-R273 WeakPolarHBondContact OE1-CD 3.44Å; E225-R273 IonicContact OE1-CZ 2.99Å; E225-R273 IonicContact OE1-NE 3.02Å; E225-R273 IonicContact OE1-NH1 2.97Å; E225-R273 PolarHBondContact OE1-NH1 2.95Å; E225-R273 IonicContact OE2-NH1 2.88Å; E225-P275 HydrophobicContact CG-CG 4.28Å
226	V	98.5	Very high	96.9	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	117.2	169.4	-174.2	0	0	0	0	107	L214 F228 R236 G237 F239 I250 F252 M270 L272	L214-V226 HydrophobicContact CD1-CG1 4.46Å; L214-V226 HydrophobicContact CD1-CG2 4.44Å; V226-F228 HydrophobicContact CG1-CD2 4.38Å; V226-F228 HydrophobicContact CG1-CE2 3.76Å; V226-F228 HydrophobicContact CG1-CZ 4.45Å; V226-R236 CarbonylContact O-C 3.38Å; V226-R236 WeakPolarHBondContact O-CA 3.43Å; V226-G237 PolarHBondContact O-N 3.24Å; V226-F239 HydrophobicContact CG2-CE1 4.06Å; V226-I250 HydrophobicContact CG2-CD1 4.32Å; V226-I250 HydrophobicContact CG2-CG2 4.37Å; V226-F252 HydrophobicContact CB-CD2 4.47Å; V226-F252 HydrophobicContact CB-CE1 4.46Å; V226-F252 HydrophobicContact CB-CE2 4.46Å; V226-F252 HydrophobicContact CB-CZ 4.45Å; V226-F252 HydrophobicContact CG1-CE1 4.04Å; V226-F252 HydrophobicContact CG1-CE2 4.03Å; V226-F252 HydrophobicContact CG1-CZ 3.76Å; V226-F252 HydrophobicContact CG2-CD1 3.86Å; V226-F252 HydrophobicContact CG2-CE1 4.03Å; V226-F252 HydrophobicContact CG2-CG 4.15Å; V226-M270 HydrophobicContact CG1-CG 3.84Å; V226-M270 HydrophobicContact CG1-SD 4.26Å; V226-L272 HydrophobicContact CG2-CD2 4.21Å
227	Y	98.4	Very high	96.9	Very high	30 Å²	30	53.8 Å²	53.8	12%	0.118	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	125.1	-168.5	-175.9	-119	0	0	0	110	T229 E234 R236 M270 Q271 R273 L280	Y227-T229 HydrophobicContact CD1-CG2 3.73Å; Y227-T229 HydrophobicContact CE1-CG2 3.19Å; Y227-T229 HydrophobicContact CE2-CG2 4.48Å; Y227-E234 HydrophobicContact CE2-CB 3.99Å; Y227-E234 PolarHBondContact OH-OE2 3.39Å; Y227-R236 HydrophobicContact CD2-CG 4.41Å; Y227-M270 WeakPolarHBondContact O-CA 3.45Å; Y227-Q271 HydrophobicContact CD1-CG 4.23Å; Y227-Q271 PolarHBondContact N-O 2.8Å; Y227-Q271 PolarHBondContact O-N 2.82Å; Y227-R273 HydrophobicContact CG-CB 4.37Å; Y227-L280 HydrophobicContact CD1-CD2 4.12Å
228	F	98.4	Very high	97	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	134.5	179.9	-72.8	-103.4	0	0	0	109.4	V226 W233 E234 A235 F252 T254 P255 V268 S269 M270 F286	V226-F228 HydrophobicContact CG1-CD2 4.38Å; V226-F228 HydrophobicContact CG1-CE2 3.76Å; V226-F228 HydrophobicContact CG1-CZ 4.45Å; F228-W233 HydrophobicContact CB-CH2 3.61Å; F228-W233 HydrophobicContact CB-CZ3 3.73Å; F228-W233 HydrophobicContact CG-CH2 4.35Å; F228-E234 CarbonylContact O-C 3.39Å; F228-E234 VanDerWaalsContact O-CA 3.31Å; F228-E234 WeakPolarHBondContact O-CA 3.29Å; F228-A235 PolarHBondContact N-O 2.8Å; F228-A235 PolarHBondContact O-N 2.65Å; F228-F252 AromaticContact CE2-CE2 3.68Å; F228-F252 HydrophobicContact CE2-CE2 3.68Å; F228-F252 HydrophobicContact CE2-CZ 4.23Å; F228-F252 AromaticContact CZ-CE2 3.69Å; F228-F252 HydrophobicContact CZ-CE2 3.69Å; F228-F252 HydrophobicContact CZ-CZ 4.03Å; F228-T254 HydrophobicContact CZ-CG2 4.31Å; F228-P255 HydrophobicContact CB-CG 4.31Å; F228-P255 HydrophobicContact CD2-CG 3.8Å; F228-P255 HydrophobicContact CE2-CG 4.28Å; F228-P255 HydrophobicContact CG-CG 4.02Å; F228-V268 HydrophobicContact CD1-CG2 4.2Å; F228-S269 CarbonylContact C-O 3.52Å; F228-S269 VanDerWaalsContact CA-O 3.31Å; F228-S269 WeakPolarHBondContact CA-O 3.39Å; F228-M270 HydrophobicContact CD1-CB 4Å; F228-M270 HydrophobicContact CD1-CG 4.24Å; F228-M270 HydrophobicContact CD2-CG 4.47Å; F228-M270 HydrophobicContact CE1-CB 3.82Å; F228-M270 HydrophobicContact CE1-CG 3.76Å; F228-M270 HydrophobicContact CE1-SD 3.83Å; F228-M270 HydrophobicContact CE2-CG 4Å; F228-M270 HydrophobicContact CE2-SD 4.26Å; F228-M270 HydrophobicContact CZ-CB 4.23Å; F228-M270 HydrophobicContact CZ-CG 3.62Å; F228-M270 HydrophobicContact CZ-SD 3.48Å; F228-M270 WeakPolarHBondContact CZ-SD 3.12Å; F228-F286 HydrophobicContact CE1-CB 4.12Å; F228-F286 AromaticContact CE1-CD1 3.95Å; F228-F286 HydrophobicContact CE1-CD1 3.95Å; F228-F286 HydrophobicContact CE1-CD2 4.3Å; F228-F286 HydrophobicContact CE1-CE1 4.5Å; F228-F286 AromaticContact CE1-CG 3.85Å; F228-F286 HydrophobicContact CE1-CG 3.85Å
229	T	98	Very high	97.2	Very high	35 Å²	35	49.9 Å²	49.9	22%	0.215	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	141.6	179.4	55.4	0	0	0	0	112.1	Y227 W233 V268 S269	Y227-T229 HydrophobicContact CD1-CG2 3.73Å; Y227-T229 HydrophobicContact CE1-CG2 3.19Å; Y227-T229 HydrophobicContact CE2-CG2 4.48Å; T229-W233 WeakPolarHBondContact CA-O 3.48Å; T229-V268 WeakPolarHBondContact O-CB 3.26Å; T229-S269 PolarHBondContact N-O 2.97Å; T229-S269 PolarHBondContact O-N 2.98Å
230	G	95.1	Very high	97.2	Very high	25 Å²	25	52.6 Å²	52.6	26%	0.258	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	-177.9	174.5	0	0	0	0	0	111	G232 W233	G230-G232 PolarHBondContact O-N 3.05Å; G230-W233 PolarHBondContact N-O 2.84Å; G230-W233 PolarHBondContact O-N 3.4Å; G230-W233 VanDerWaalsContact O-N 3.12Å
231	P	92.3	Very high	97.3	Very high	118 Å²	118	55 Å²	55	77%	0.766	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	105.2	-178.9	-23.9	35.1	0	0	0	111.9	W233	P231-W233 VanDerWaalsContact C-N 3.26Å; P231-W233 PolarHBondContact O-N 2.81Å
232	G	93.7	Very high	97.3	Very high	96 Å²	96	55.1 Å²	55.1	99%	0.99	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.8	15.2	-178.3	0	0	0	0	0	115.4	G230	G230-G232 PolarHBondContact O-N 3.05Å
233	W	96.7	Very high	97.4	Very high	37 Å²	37	53.1 Å²	53.1	14%	0.14	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	134.2	-177.8	173.8	79.7	0	0	0	111.6	F228 T229 G230 P231 A235 P255 P256 Y257 A258 V268 Y288	F228-W233 HydrophobicContact CB-CH2 3.61Å; F228-W233 HydrophobicContact CB-CZ3 3.73Å; F228-W233 HydrophobicContact CG-CH2 4.35Å; T229-W233 WeakPolarHBondContact CA-O 3.48Å; G230-W233 PolarHBondContact N-O 2.84Å; G230-W233 PolarHBondContact O-N 3.4Å; G230-W233 VanDerWaalsContact O-N 3.12Å; P231-W233 VanDerWaalsContact C-N 3.26Å; P231-W233 PolarHBondContact O-N 2.81Å; W233-A235 HydrophobicContact CH2-CB 3.94Å; W233-A235 HydrophobicContact CZ2-CB 3.36Å; W233-P255 HydrophobicContact CH2-CG 4.25Å; W233-P255 HydrophobicContact CZ2-CG 4.27Å; W233-P256 WeakPolarHBondContact CZ2-O 3.48Å; W233-Y257 HydrophobicContact CD2-CD2 4.11Å; W233-Y257 HydrophobicContact CD2-CE2 4.15Å; W233-Y257 HydrophobicContact CE3-CD2 4.08Å; W233-Y257 HydrophobicContact CE3-CE2 4Å; W233-Y257 HydrophobicContact CH2-CD2 4.17Å; W233-Y257 HydrophobicContact CZ2-CD2 4.17Å; W233-Y257 HydrophobicContact CZ3-CD2 4.11Å; W233-Y257 HydrophobicContact CZ3-CE2 4.37Å; W233-A258 HydrophobicContact CB-CB 4.21Å; W233-A258 HydrophobicContact CG-CB 3.91Å; W233-V268 HydrophobicContact CE3-CG1 4.32Å; W233-V268 HydrophobicContact CZ3-CB 4.25Å; W233-V268 HydrophobicContact CZ3-CG1 4.01Å; W233-V268 HydrophobicContact CZ3-CG2 4.37Å; W233-Y288 AromaticContact CH2-CE2 3.58Å; W233-Y288 HydrophobicContact CH2-CE2 3.58Å; W233-Y288 HydrophobicContact CZ2-CE2 4.39Å; W233-Y288 HydrophobicContact CZ3-CE2 4.01Å
234	E	97.6	Very high	97.5	Very high	115 Å²	115	52.3 Å²	52.3	54%	0.537	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	146.2	168.7	62	169.2	-116	0	0	110.2	Y227 F228	Y227-E234 HydrophobicContact CE2-CB 3.99Å; Y227-E234 PolarHBondContact OH-OE2 3.39Å; F228-E234 CarbonylContact O-C 3.39Å; F228-E234 VanDerWaalsContact O-CA 3.31Å; F228-E234 WeakPolarHBondContact O-CA 3.29Å
235	A	98.1	Very high	97.5	Very high	18 Å²	18	57.4 Å²	57.4	15%	0.149	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	168.5	173.9	0	0	0	0	0	111.7	F228 W233 P255	F228-A235 PolarHBondContact N-O 2.8Å; F228-A235 PolarHBondContact O-N 2.65Å; W233-A235 HydrophobicContact CH2-CB 3.94Å; W233-A235 HydrophobicContact CZ2-CB 3.36Å; A235-P255 HydrophobicContact CB-CB 3.54Å; A235-P255 HydrophobicContact CB-CG 3.54Å
236	R	98.4	Very high	97.4	Very high	125 Å²	125	65.9 Å²	65.9	47%	0.472	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	135.3	178.5	-64	176.5	-176	80.5	18.4	110.5	E225 V226 Y227	E225-R236 VanDerWaalsContact CD-NE 3.26Å; E225-R236 IonicContact OE1-CZ 2.75Å; E225-R236 IonicContact OE1-NE 3.17Å; E225-R236 PolarHBondContact OE1-NE 3.28Å; E225-R236 IonicContact OE1-NH2 3.99Å; E225-R236 VanDerWaalsContact OE2-CD 3.29Å; E225-R236 WeakPolarHBondContact OE2-CD 3.47Å; E225-R236 IonicContact OE2-NE 3.22Å; E225-R236 PolarHBondContact OE2-NE 2.95Å; V226-R236 CarbonylContact O-C 3.38Å; V226-R236 WeakPolarHBondContact O-CA 3.43Å; Y227-R236 HydrophobicContact CD2-CG 4.41Å
237	G	98.2	Very high	97.3	Very high	6 Å²	6	69.2 Å²	69.2	6%	0.062	39%	0.388	C	S	.	.			trans	-60.8	134.7	166	0	0	0	0	0	110.2	V226 F239 R253	V226-G237 PolarHBondContact O-N 3.24Å; G237-F239 WeakPolarHBondContact O-CD1 3.35Å; G237-R253 WeakPolarHBondContact CA-O 3.37Å
238	S	98.5	Very high	97.3	Very high	74 Å²	74	70.6 Å²	70.6	52%	0.517	40%	0.4	S	S	.	.	B	Isolated β-bridge	trans	-91.5	121.8	-177	60.2	0	0	0	0	111.2	F252 R253	S238-F252 WeakPolarHBondContact O-CA 3.1Å; S238-R253 PolarHBondContact N-O 2.87Å; S238-R253 PolarHBondContact O-N 2.87Å; S238-R253 PolarHBondContact OG-O 2.78Å
239	F	98.5	Very high	97.3	Very high	52 Å²	52	71.4 Å²	71.4	23%	0.228	41%	0.406	C	S	.	.			trans	-158.5	164.8	175.2	63.9	-77.8	0	0	0	110.4	I224 V226 G237 D243 V244 I250 V251 F252	I224-F239 HydrophobicContact CG2-CE2 4.33Å; I224-F239 HydrophobicContact CG2-CZ 4.27Å; I224-F239 WeakPolarHBondContact O-CZ 3.49Å; V226-F239 HydrophobicContact CG2-CE1 4.06Å; G237-F239 WeakPolarHBondContact O-CD1 3.35Å; F239-D243 HydrophobicContact CB-CB 4.16Å; F239-V244 HydrophobicContact CD2-CG2 3.99Å; F239-V244 HydrophobicContact CE2-CG2 3.62Å; F239-I250 HydrophobicContact CD1-CG2 4.19Å; F239-I250 HydrophobicContact CD2-CG2 3.74Å; F239-I250 HydrophobicContact CE1-CG2 4.27Å; F239-I250 HydrophobicContact CE2-CG2 3.83Å; F239-I250 HydrophobicContact CG-CG2 3.95Å; F239-I250 HydrophobicContact CZ-CD1 4.48Å; F239-I250 HydrophobicContact CZ-CG2 4.1Å; F239-V251 WeakPolarHBondContact CB-O 3.3Å; F239-F252 HydrophobicContact CB-CB 3.71Å; F239-F252 HydrophobicContact CD1-CB 3.7Å; F239-F252 HydrophobicContact CG-CB 3.98Å
240	S	97.9	Very high	97.3	Very high	59 Å²	59	69.8 Å²	69.8	41%	0.413	40%	0.396	S	S	.	.			trans	-103.1	164.9	173.7	78.2	0	0	0	0	111.2	A242 D243	S240-A242 PolarHBondContact O-N 2.89Å; S240-A242 VanDerWaalsContact O-N 3.08Å; S240-A242 PolarHBondContact OG-N 2.91Å; S240-D243 WeakPolarHBondContact CA-OD2 3.38Å; S240-D243 VanDerWaalsContact CB-OD2 3.29Å; S240-D243 WeakPolarHBondContact CB-OD2 3.31Å; S240-D243 PolarHBondContact N-OD2 2.94Å; S240-D243 WeakPolarHBondContact O-CB 3.48Å; S240-D243 PolarHBondContact O-N 3.44Å; S240-D243 PolarHBondContact OG-OD2 2.93Å
241	Q	97.6	Very high	97.5	Very high	105 Å²	105	70 Å²	70	49%	0.491	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-59.1	-23.3	175	-60.1	-174.5	-4.8	0	0	113.3	K221 D243	K221-Q241 HydrophobicContact CB-CB 4.46Å; K221-Q241 HydrophobicContact CD-CB 4.25Å; K221-Q241 HydrophobicContact CG-CB 4.29Å; Q241-D243 VanDerWaalsContact C-N 3.31Å
242	A	97.9	Very high	97.8	Very high	91 Å²	91	64.6 Å²	64.6	75%	0.752	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-72.7	-24.7	177.3	0	0	0	0	0	112.8	S240 V244	S240-A242 PolarHBondContact O-N 2.89Å; S240-A242 VanDerWaalsContact O-N 3.08Å; S240-A242 PolarHBondContact OG-N 2.91Å; A242-V244 VanDerWaalsContact C-N 3.25Å; A242-V244 PolarHBondContact O-N 2.83Å
243	D	98.4	Very high	98	Very high	64 Å²	64	66.2 Å²	66.2	34%	0.342	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-81.3	-6.4	-179.3	-52.6	-59.4	0	0	0	112.7	F239 S240 Q241 H245 V251	F239-D243 HydrophobicContact CB-CB 4.16Å; S240-D243 WeakPolarHBondContact CA-OD2 3.38Å; S240-D243 VanDerWaalsContact CB-OD2 3.29Å; S240-D243 WeakPolarHBondContact CB-OD2 3.31Å; S240-D243 PolarHBondContact N-OD2 2.94Å; S240-D243 WeakPolarHBondContact O-CB 3.48Å; S240-D243 PolarHBondContact O-N 3.44Å; S240-D243 PolarHBondContact OG-OD2 2.93Å; Q241-D243 VanDerWaalsContact C-N 3.31Å; D243-H245 PolarHBondContact O-N 2.78Å; D243-H245 VanDerWaalsContact O-N 3.14Å; D243-V251 HydrophobicContact CB-CB 4.34Å; D243-V251 VanDerWaalsContact CB-O 3.23Å; D243-V251 WeakPolarHBondContact CB-O 3.33Å; D243-V251 PolarHBondContact O-N 2.88Å
244	V	98.4	Very high	98.1	Very high	10 Å²	10	64.6 Å²	64.6	6%	0.061	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	84.8	171.3	-173.9	0	0	0	0	109.5	V219 K221 I224 F239 A242 R246 A249 I250	V219-V244 HydrophobicContact CG2-CG1 4.03Å; K221-V244 HydrophobicContact CB-CB 3.61Å; K221-V244 HydrophobicContact CB-CG1 3.78Å; K221-V244 HydrophobicContact CB-CG2 3.82Å; I224-V244 HydrophobicContact CG2-CG2 4.31Å; F239-V244 HydrophobicContact CD2-CG2 3.99Å; F239-V244 HydrophobicContact CE2-CG2 3.62Å; A242-V244 VanDerWaalsContact C-N 3.25Å; A242-V244 PolarHBondContact O-N 2.83Å; V244-R246 PolarHBondContact O-N 2.8Å; V244-R246 VanDerWaalsContact O-N 3.13Å; V244-A249 CarbonylContact C-O 3.43Å; V244-A249 WeakPolarHBondContact CA-O 3.45Å; V244-I250 HydrophobicContact CG1-CG1 4.47Å; V244-I250 HydrophobicContact CG2-CG1 4.46Å
245	H	98.2	Very high	98.2	Very high	119 Å²	119	59.5 Å²	59.5	55%	0.551	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.2	111.1	-177.1	-172.7	87.5	0	0	0	112	D243 Q247 V248 A249	D243-H245 PolarHBondContact O-N 2.78Å; D243-H245 VanDerWaalsContact O-N 3.14Å; H245-Q247 PolarHBondContact O-N 2.81Å; H245-V248 PolarHBondContact O-N 2.71Å; H245-A249 HydrophobicContact CB-CB 4.31Å; H245-A249 PolarHBondContact N-O 3.23Å; H245-A249 PolarHBondContact O-N 2.6Å
246	R	96.8	Very high	98.1	Very high	205 Å²	205	62.7 Å²	62.7	77%	0.774	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	30.5	170.7	-60.5	-69.7	-173.4	178	0.2	114.4	V244 V248	V244-R246 PolarHBondContact O-N 2.8Å; V244-R246 VanDerWaalsContact O-N 3.13Å; R246-V248 HydrophobicContact CB-CG2 4.27Å; R246-V248 PolarHBondContact O-N 3.36Å
247	Q	96.6	Very high	98.1	Very high	69 Å²	69	58.4 Å²	58.4	32%	0.322	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.5	5.4	-176.9	-57.7	178	-59.6	0	0	115.7	K218 V219 H245	K218-Q247 VanDerWaalsContact CA-O 3.3Å; K218-Q247 WeakPolarHBondContact CA-O 3.37Å; V219-Q247 PolarHBondContact N-O 3.2Å; V219-Q247 WeakPolarHBondContact O-CB 3.37Å; V219-Q247 VanDerWaalsContact O-CG 3.25Å; V219-Q247 WeakPolarHBondContact O-CG 3.44Å; H245-Q247 PolarHBondContact O-N 2.81Å
248	V	97.9	Very high	97.9	Very high	60 Å²	60	61.1 Å²	61.1	36%	0.364	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.7	-2.6	-171.3	-64	0	0	0	0	114.1	C216 K218 H245 R246	C216-V248 PolarHBondContact N-O 3.16Å; C216-V248 VanDerWaalsContact O-O 3.11Å; K218-V248 HydrophobicContact CG-CG1 4.17Å; H245-V248 PolarHBondContact O-N 2.71Å; R246-V248 HydrophobicContact CB-CG2 4.27Å; R246-V248 PolarHBondContact O-N 3.36Å
249	A	98.4	Very high	97.6	Very high	16 Å²	16	60.4 Å²	60.4	13%	0.132	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	155	169.3	0	0	0	0	0	110.6	L214 L215 V244 H245	L214-A249 CarbonylContact O-C 3.5Å; L214-A249 WeakPolarHBondContact O-CA 3.11Å; L214-A249 WeakPolarHBondContact O-CB 3.39Å; L215-A249 HydrophobicContact CD2-CB 3.67Å; V244-A249 CarbonylContact C-O 3.43Å; V244-A249 WeakPolarHBondContact CA-O 3.45Å; H245-A249 HydrophobicContact CB-CB 4.31Å; H245-A249 PolarHBondContact N-O 3.23Å; H245-A249 PolarHBondContact O-N 2.6Å
250	I	98.7	Very high	97.2	Very high	1 Å²	1	61.6 Å²	61.6	1%	0.005	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	127.5	175.3	-53.7	-179.9	0	0	0	107.4	L214 I224 V226 F239 V244 F252 L272	L214-I250 PolarHBondContact N-O 3.27Å; L214-I250 PolarHBondContact O-N 2.81Å; I224-I250 HydrophobicContact CG1-CD1 4.02Å; I224-I250 HydrophobicContact CG2-CD1 4.27Å; V226-I250 HydrophobicContact CG2-CD1 4.32Å; V226-I250 HydrophobicContact CG2-CG2 4.37Å; F239-I250 HydrophobicContact CD1-CG2 4.19Å; F239-I250 HydrophobicContact CD2-CG2 3.74Å; F239-I250 HydrophobicContact CE1-CG2 4.27Å; F239-I250 HydrophobicContact CE2-CG2 3.83Å; F239-I250 HydrophobicContact CG-CG2 3.95Å; F239-I250 HydrophobicContact CZ-CD1 4.48Å; F239-I250 HydrophobicContact CZ-CG2 4.1Å; V244-I250 HydrophobicContact CG1-CG1 4.47Å; V244-I250 HydrophobicContact CG2-CG1 4.46Å; I250-F252 HydrophobicContact CG2-CB 4.29Å; I250-F252 HydrophobicContact CG2-CD1 4.31Å; I250-L272 HydrophobicContact CD1-CD2 3.79Å
251	V	98.7	Very high	96.8	Very high	30 Å²	30	62.6 Å²	62.6	18%	0.182	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	127.2	163.4	-173.8	0	0	0	0	107.6	E211 I212 F213 F239 D243	E211-V251 HydrophobicContact CG-CG1 3.77Å; I212-V251 WeakPolarHBondContact O-CA 3.37Å; F213-V251 HydrophobicContact CD1-CG2 3.69Å; F213-V251 HydrophobicContact CD2-CG1 4.38Å; F213-V251 HydrophobicContact CE1-CG2 3.58Å; F213-V251 HydrophobicContact CE2-CG1 4.04Å; F213-V251 HydrophobicContact CE2-CG2 4.49Å; F213-V251 HydrophobicContact CG-CG2 4.21Å; F213-V251 HydrophobicContact CZ-CG1 4.11Å; F213-V251 HydrophobicContact CZ-CG2 4Å; F239-V251 WeakPolarHBondContact CB-O 3.3Å; D243-V251 HydrophobicContact CB-CB 4.34Å; D243-V251 VanDerWaalsContact CB-O 3.23Å; D243-V251 WeakPolarHBondContact CB-O 3.33Å; D243-V251 PolarHBondContact O-N 2.88Å
252	F	98.8	Very high	96.5	Very high	4 Å²	4	58.2 Å²	58.2	2%	0.018	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	164.3	-179.7	74.1	-85.4	0	0	0	111.7	E211 I212 L214 V226 F228 S238 F239 I250 M270	E211-F252 WeakPolarHBondContact CA-O 3.34Å; I212-F252 HydrophobicContact CB-CD1 4.22Å; I212-F252 HydrophobicContact CB-CE1 3.68Å; I212-F252 HydrophobicContact CB-CE2 4.17Å; I212-F252 HydrophobicContact CB-CZ 3.64Å; I212-F252 HydrophobicContact CD1-CE2 4.13Å; I212-F252 HydrophobicContact CD1-CZ 3.85Å; I212-F252 HydrophobicContact CG1-CZ 4.27Å; I212-F252 HydrophobicContact CG2-CD1 4.34Å; I212-F252 HydrophobicContact CG2-CE1 3.47Å; I212-F252 VanDerWaalsContact CG2-CE1 3.47Å; I212-F252 HydrophobicContact CG2-CZ 3.62Å; I212-F252 PolarHBondContact N-O 3.05Å; I212-F252 PolarHBondContact O-N 2.95Å; L214-F252 HydrophobicContact CB-CE1 4.02Å; L214-F252 HydrophobicContact CD1-CE1 4.05Å; V226-F252 HydrophobicContact CB-CD2 4.47Å; V226-F252 HydrophobicContact CB-CE1 4.46Å; V226-F252 HydrophobicContact CB-CE2 4.46Å; V226-F252 HydrophobicContact CB-CZ 4.45Å; V226-F252 HydrophobicContact CG1-CE1 4.04Å; V226-F252 HydrophobicContact CG1-CE2 4.03Å; V226-F252 HydrophobicContact CG1-CZ 3.76Å; V226-F252 HydrophobicContact CG2-CD1 3.86Å; V226-F252 HydrophobicContact CG2-CE1 4.03Å; V226-F252 HydrophobicContact CG2-CG 4.15Å; F228-F252 AromaticContact CE2-CE2 3.68Å; F228-F252 HydrophobicContact CE2-CE2 3.68Å; F228-F252 HydrophobicContact CE2-CZ 4.23Å; F228-F252 AromaticContact CZ-CE2 3.69Å; F228-F252 HydrophobicContact CZ-CE2 3.69Å; F228-F252 HydrophobicContact CZ-CZ 4.03Å; S238-F252 WeakPolarHBondContact O-CA 3.1Å; F239-F252 HydrophobicContact CB-CB 3.71Å; F239-F252 HydrophobicContact CD1-CB 3.7Å; F239-F252 HydrophobicContact CG-CB 3.98Å; I250-F252 HydrophobicContact CG2-CB 4.29Å; I250-F252 HydrophobicContact CG2-CD1 4.31Å; F252-M270 HydrophobicContact CZ-SD 3.81Å
253	R	98.7	Very high	96.1	Very high	130 Å²	130	62 Å²	62	49%	0.491	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	136.7	171.7	-68.7	-178.1	-175	133.3	13.3	112	D210 E211 G237 S238	D210-R253 VanDerWaalsContact O-CA 3.29Å; D210-R253 WeakPolarHBondContact O-CA 3.46Å; E211-R253 HydrophobicContact CB-CG 4.39Å; E211-R253 IonicContact OE2-CZ 3.38Å; E211-R253 IonicContact OE2-NE 2.84Å; E211-R253 PolarHBondContact OE2-NE 2.86Å; E211-R253 IonicContact OE2-NH2 3.67Å; E211-R253 PolarHBondContact OE2-NH2 2.85Å; G237-R253 WeakPolarHBondContact CA-O 3.37Å; S238-R253 PolarHBondContact N-O 2.87Å; S238-R253 PolarHBondContact O-N 2.87Å; S238-R253 PolarHBondContact OG-O 2.78Å
254	T	98.4	Very high	95.9	Very high	3 Å²	3	61.8 Å²	61.8	2%	0.018	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-57.6	141.3	177.6	52.3	0	0	0	0	111.5	G208 G209 D210 I212 F228 F286	G208-T254 WeakPolarHBondContact CA-OG1 3.17Å; G209-T254 PolarHBondContact N-O 2.92Å; G209-T254 PolarHBondContact N-OG1 2.88Å; G209-T254 VanDerWaalsContact N-OG1 3.17Å; D210-T254 HydrophobicContact CB-CG2 4.13Å; D210-T254 PolarHBondContact N-OG1 2.94Å; D210-T254 PolarHBondContact O-N 3.38Å; I212-T254 HydrophobicContact CD1-CG2 3.35Å; I212-T254 HydrophobicContact CG1-CG2 4.14Å; F228-T254 HydrophobicContact CZ-CG2 4.31Å; T254-F286 HydrophobicContact CG2-CE1 4.27Å; T254-F286 HydrophobicContact CG2-CE2 4.15Å; T254-F286 HydrophobicContact CG2-CZ 3.68Å
255	P	98.2	Very high	95.7	Very high	9 Å²	9	64.7 Å²	64.7	6%	0.058	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-69.1	157.3	168.5	28.2	-29.3	0	0	0	110.6	G208 F228 W233 A235 Y288	G208-P255 WeakPolarHBondContact CA-O 3.26Å; F228-P255 HydrophobicContact CB-CG 4.31Å; F228-P255 HydrophobicContact CD2-CG 3.8Å; F228-P255 HydrophobicContact CE2-CG 4.28Å; F228-P255 HydrophobicContact CG-CG 4.02Å; W233-P255 HydrophobicContact CH2-CG 4.25Å; W233-P255 HydrophobicContact CZ2-CG 4.27Å; A235-P255 HydrophobicContact CB-CB 3.54Å; A235-P255 HydrophobicContact CB-CG 3.54Å; P255-Y288 PolarHBondContact O-OH 3.29Å
256	P	97.5	Very high	95.7	Very high	85 Å²	85	60.9 Å²	60.9	55%	0.552	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-61.6	141.5	165	-18.7	31.6	0	0	0	110.9	L207 W233	L207-P256 WeakPolarHBondContact O-CB 3.3Å; L207-P256 WeakPolarHBondContact O-CG 3.38Å; W233-P256 WeakPolarHBondContact CZ2-O 3.48Å
257	Y	96.9	Very high	95.7	Very high	34 Å²	34	58.6 Å²	58.6	13%	0.133	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-75.3	162.6	174.1	-175.3	-115.6	0	0	0	111.6	C206 W233 D259 L262 V266 V268 Y288	C206-Y257 WeakPolarHBondContact O-CB 3.47Å; C206-Y257 PolarHBondContact O-N 3.2Å; W233-Y257 HydrophobicContact CD2-CD2 4.11Å; W233-Y257 HydrophobicContact CD2-CE2 4.15Å; W233-Y257 HydrophobicContact CE3-CD2 4.08Å; W233-Y257 HydrophobicContact CE3-CE2 4Å; W233-Y257 HydrophobicContact CH2-CD2 4.17Å; W233-Y257 HydrophobicContact CZ2-CD2 4.17Å; W233-Y257 HydrophobicContact CZ3-CD2 4.11Å; W233-Y257 HydrophobicContact CZ3-CE2 4.37Å; Y257-D259 VanDerWaalsContact C-N 3.27Å; Y257-D259 HydrophobicContact CD1-CB 4.21Å; Y257-D259 HydrophobicContact CE1-CB 4.15Å; Y257-D259 PolarHBondContact O-N 3Å; Y257-L262 HydrophobicContact CE1-CD1 4.25Å; Y257-V266 HydrophobicContact CE1-CG1 4.46Å; Y257-V266 HydrophobicContact CE2-CG1 4.37Å; Y257-V268 HydrophobicContact CD2-CG1 4.35Å; Y257-V268 HydrophobicContact CE2-CG1 3.9Å; Y257-Y288 AromaticContact CD2-CD2 3.5Å; Y257-Y288 HydrophobicContact CD2-CD2 3.5Å; Y257-Y288 VanDerWaalsContact CD2-CD2 3.5Å; Y257-Y288 AromaticContact CD2-CE2 3.78Å; Y257-Y288 HydrophobicContact CD2-CE2 3.78Å; Y257-Y288 HydrophobicContact CD2-CG 4.2Å; Y257-Y288 HydrophobicContact CE2-CD2 4.33Å; Y257-Y288 AromaticContact CG-CD2 3.81Å; Y257-Y288 HydrophobicContact CG-CD2 3.81Å; Y257-Y288 HydrophobicContact CG-CE2 4.27Å; Y257-Y288 HydrophobicContact CG-CG 4.03Å
258	A	94.2	Very high	95.8	Very high	63 Å²	63	55.6 Å²	55.6	52%	0.521	31%	0.311	S	S	.	.	S	Bend	trans	-56.4	-37	-179.4	0	0	0	0	0	114	W233	W233-A258 HydrophobicContact CB-CB 4.21Å; W233-A258 HydrophobicContact CG-CB 3.91Å
259	D	92.6	Very high	95.8	Very high	59 Å²	59	55 Å²	55	32%	0.316	31%	0.309	S	S	.	.			trans	-110.5	107.3	176.6	177.7	10.9	0	0	0	110	Y257 S261	Y257-D259 VanDerWaalsContact C-N 3.27Å; Y257-D259 HydrophobicContact CD1-CB 4.21Å; Y257-D259 HydrophobicContact CE1-CB 4.15Å; Y257-D259 PolarHBondContact O-N 3Å; D259-S261 PolarHBondContact O-N 3.06Å; D259-S261 WeakPolarHBondContact OD1-CA 3.32Å; D259-S261 WeakPolarHBondContact OD1-CB 3.25Å; D259-S261 PolarHBondContact OD1-N 3.02Å; D259-S261 PolarHBondContact OD1-OG 2.86Å
260	P	90.3	Very high	95.8	Very high	78 Å²	78	54.2 Å²	54.2	51%	0.506	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-16.8	175.2	-19.4	32.5	0	0	0	113.9	C206 L207	C206-P260 PolarHBondContact SG-O 3.18Å; C206-P260 VanDerWaalsContact SG-O 3.36Å; L207-P260 HydrophobicContact CD2-CB 3.84Å
261	S	90.1	Very high	95.8	Very high	80 Å²	80	55.1 Å²	55.1	56%	0.559	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103	23	-173.4	66.7	0	0	0	0	113.2	D259 Q263	D259-S261 PolarHBondContact O-N 3.06Å; D259-S261 WeakPolarHBondContact OD1-CA 3.32Å; D259-S261 WeakPolarHBondContact OD1-CB 3.25Å; D259-S261 PolarHBondContact OD1-N 3.02Å; D259-S261 PolarHBondContact OD1-OG 2.86Å; S261-Q263 PolarHBondContact O-N 3.21Å; S261-Q263 PolarHBondContact O-NE2 3.38Å
262	L	91.3	Very high	95.7	Very high	13 Å²	13	53.7 Å²	53.7	7%	0.068	30%	0.298	C	S	.	.			trans	-52	128.5	-170.6	-170.1	68.9	0	0	0	112.9	C206 Y257 A264 V266 P290	C206-L262 HydrophobicContact CB-CB 3.86Å; C206-L262 HydrophobicContact CB-CD2 4.07Å; Y257-L262 HydrophobicContact CE1-CD1 4.25Å; L262-A264 WeakPolarHBondContact CD1-O 3.48Å; L262-A264 WeakPolarHBondContact CD2-O 3.38Å; L262-A264 WeakPolarHBondContact CG-O 3.19Å; L262-V266 HydrophobicContact CD1-CG2 3.62Å; L262-V266 HydrophobicContact CD2-CB 4.3Å; L262-V266 HydrophobicContact CD2-CG2 4.18Å; L262-V266 HydrophobicContact CG-CG2 4.46Å; L262-P290 VanDerWaalsContact O-CA 3.3Å; L262-P290 WeakPolarHBondContact O-CA 3.08Å; L262-P290 WeakPolarHBondContact O-CB 3.01Å; L262-P290 WeakPolarHBondContact O-CG 2.99Å
263	Q	89.9	Confident	95.7	Very high	171 Å²	171	55.5 Å²	55.5	80%	0.799	31%	0.305	S	S	*	.			trans	-97.8	-21.9	-176.6	-62.9	-60.3	-62.7	0	0	114.1	S261	S261-Q263 PolarHBondContact O-N 3.21Å; S261-Q263 PolarHBondContact O-NE2 3.38Å
264	A	92.5	Very high	95.6	Very high	58 Å²	58	49.3 Å²	49.3	48%	0.479	28%	0.282	S	S	.	.	S	Bend	trans	-140.8	149.3	179.6	0	0	0	0	0	110.5	L262 V266	L262-A264 WeakPolarHBondContact CD1-O 3.48Å; L262-A264 WeakPolarHBondContact CD2-O 3.38Å; L262-A264 WeakPolarHBondContact CG-O 3.19Å; A264-V266 PolarHBondContact O-N 2.82Å
265	P	95.8	Very high	95.6	Very high	71 Å²	71	51.6 Å²	51.6	46%	0.461	30%	0.297	S	S	.	.			trans	-57.3	135.4	-178.5	-28.2	36.9	0	0	0	114.2	Q287 Y288 L289	P265-Q287 HydrophobicContact CB-CG 3.87Å; P265-Q287 VanDerWaalsContact CB-NE2 3.32Å; P265-Y288 CarbonylContact C-O 3.51Å; P265-Y288 VanDerWaalsContact CA-O 3.24Å; P265-Y288 WeakPolarHBondContact CA-O 3.33Å; P265-L289 HydrophobicContact CB-CD2 3.91Å; P265-L289 HydrophobicContact CG-CD2 3.91Å
266	V	96.9	Very high	95.4	Very high	39 Å²	39	55.1 Å²	55.1	24%	0.236	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	132.5	178.6	171.1	0	0	0	0	110.6	Y257 L262 A264 V268 Q287 Y288	Y257-V266 HydrophobicContact CE1-CG1 4.46Å; Y257-V266 HydrophobicContact CE2-CG1 4.37Å; L262-V266 HydrophobicContact CD1-CG2 3.62Å; L262-V266 HydrophobicContact CD2-CB 4.3Å; L262-V266 HydrophobicContact CD2-CG2 4.18Å; L262-V266 HydrophobicContact CG-CG2 4.46Å; A264-V266 PolarHBondContact O-N 2.82Å; V266-V268 HydrophobicContact CG1-CG1 4.24Å; V266-Q287 CarbonylContact O-C 3.54Å; V266-Q287 WeakPolarHBondContact O-CA 3.41Å; V266-Y288 PolarHBondContact N-O 2.94Å; V266-Y288 PolarHBondContact O-N 2.89Å
267	R	97.8	Very high	95.1	Very high	158 Å²	158	53.9 Å²	53.9	60%	0.596	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.7	132.5	175.8	-63.6	160.3	82.4	111.4	-7.9	109.2	E285	R267-E285 HydrophobicContact CB-CG 4.42Å; R267-E285 IonicContact CZ-OE1 2.78Å; R267-E285 IonicContact CZ-OE2 2.83Å; R267-E285 IonicContact NE-OE1 2.74Å; R267-E285 PolarHBondContact NE-OE1 3.36Å; R267-E285 IonicContact NE-OE2 3.25Å; R267-E285 PolarHBondContact NE-OE2 3.46Å; R267-E285 IonicContact NH1-OE1 3.86Å; R267-E285 PolarHBondContact NH1-OE1 2.7Å; R267-E285 IonicContact NH2-OE1 3.75Å; R267-E285 PolarHBondContact NH2-OE1 3.45Å; R267-E285 IonicContact NH2-OE2 2.66Å; R267-E285 PolarHBondContact NH2-OE2 2.86Å
268	V	97.9	Very high	95	Very high	6 Å²	6	61.5 Å²	61.5	4%	0.036	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	162.9	174.7	-59.7	0	0	0	0	109.3	F228 T229 W233 Y257 V266 F286 Y288	F228-V268 HydrophobicContact CD1-CG2 4.2Å; T229-V268 WeakPolarHBondContact O-CB 3.26Å; W233-V268 HydrophobicContact CE3-CG1 4.32Å; W233-V268 HydrophobicContact CZ3-CB 4.25Å; W233-V268 HydrophobicContact CZ3-CG1 4.01Å; W233-V268 HydrophobicContact CZ3-CG2 4.37Å; Y257-V268 HydrophobicContact CD2-CG1 4.35Å; Y257-V268 HydrophobicContact CE2-CG1 3.9Å; V266-V268 HydrophobicContact CG1-CG1 4.24Å; V268-F286 HydrophobicContact CG2-CB 3.97Å; V268-F286 HydrophobicContact CG2-CD1 4.11Å; V268-F286 WeakPolarHBondContact CG2-O 3.29Å; V268-F286 PolarHBondContact N-O 3.23Å; V268-F286 PolarHBondContact O-N 3.47Å; V268-Y288 HydrophobicContact CG1-CD2 4.03Å; V268-Y288 HydrophobicContact CG1-CE2 4.33Å; V268-Y288 HydrophobicContact CG2-CD2 3.86Å; V268-Y288 HydrophobicContact CG2-CE2 3.74Å
269	S	98.2	Very high	94.9	Very high	47 Å²	47	61 Å²	61	33%	0.329	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	134	173.8	-65.7	0	0	0	0	110.3	F228 T229	F228-S269 CarbonylContact C-O 3.52Å; F228-S269 VanDerWaalsContact CA-O 3.31Å; F228-S269 WeakPolarHBondContact CA-O 3.39Å; T229-S269 PolarHBondContact N-O 2.97Å; T229-S269 PolarHBondContact O-N 2.98Å
270	M	98.3	Very high	95.1	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	125.3	174.9	175.9	-172.5	66.7	0	0	108.4	V199 V226 Y227 F228 F252 M284 F286	V199-M270 HydrophobicContact CG1-CE 4.22Å; V199-M270 HydrophobicContact CG2-CE 3.86Å; V226-M270 HydrophobicContact CG1-CG 3.84Å; V226-M270 HydrophobicContact CG1-SD 4.26Å; Y227-M270 WeakPolarHBondContact O-CA 3.45Å; F228-M270 HydrophobicContact CD1-CB 4Å; F228-M270 HydrophobicContact CD1-CG 4.24Å; F228-M270 HydrophobicContact CD2-CG 4.47Å; F228-M270 HydrophobicContact CE1-CB 3.82Å; F228-M270 HydrophobicContact CE1-CG 3.76Å; F228-M270 HydrophobicContact CE1-SD 3.83Å; F228-M270 HydrophobicContact CE2-CG 4Å; F228-M270 HydrophobicContact CE2-SD 4.26Å; F228-M270 HydrophobicContact CZ-CB 4.23Å; F228-M270 HydrophobicContact CZ-CG 3.62Å; F228-M270 HydrophobicContact CZ-SD 3.48Å; F228-M270 WeakPolarHBondContact CZ-SD 3.12Å; F252-M270 HydrophobicContact CZ-SD 3.81Å; M270-M284 HydrophobicContact CE-CB 4.31Å; M270-M284 HydrophobicContact CE-CG 4.4Å; M270-M284 HydrophobicContact CE-SD 4.39Å; M270-M284 PolarHBondContact N-O 3.02Å; M270-M284 PolarHBondContact O-N 3.47Å; M270-M284 VanDerWaalsContact O-O 3.13Å; M270-F286 HydrophobicContact CB-CB 4.09Å; M270-F286 HydrophobicContact SD-CD2 4.45Å
271	Q	98.2	Very high	95.4	Very high	19 Å²	19	58.3 Å²	58.3	9%	0.089	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	157.7	-175.6	59	-155.6	27.5	0	0	111.1	Y227 L280	Y227-Q271 HydrophobicContact CD1-CG 4.23Å; Y227-Q271 PolarHBondContact N-O 2.8Å; Y227-Q271 PolarHBondContact O-N 2.82Å; Q271-L280 HydrophobicContact CG-CD2 4.26Å
272	L	98.4	Very high	95.7	Very high	0 Å²	0	62 Å²	62	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	141.9	167.1	-67.9	170.5	0	0	0	108.9	L194 I196 L214 C216 V219 I224 V226 I250 L280 S281	L194-L272 HydrophobicContact CB-CB 4.25Å; L194-L272 HydrophobicContact CD1-CB 4.08Å; I196-L272 HydrophobicContact CD1-CG 4.31Å; I196-L272 HydrophobicContact CG1-CD1 3.92Å; I196-L272 HydrophobicContact CG1-CG 3.75Å; L214-L272 HydrophobicContact CD1-CD2 4.42Å; L214-L272 HydrophobicContact CD2-CD1 4.42Å; L214-L272 HydrophobicContact CD2-CD2 4.11Å; C216-L272 HydrophobicContact CB-CD1 3.68Å; V219-L272 HydrophobicContact CG1-CD1 4.45Å; I224-L272 HydrophobicContact CD1-CB 4.2Å; I224-L272 HydrophobicContact CD1-CD2 4.28Å; I224-L272 HydrophobicContact CG1-CD2 4.22Å; V226-L272 HydrophobicContact CG2-CD2 4.21Å; I250-L272 HydrophobicContact CD1-CD2 3.79Å; L272-L280 CarbonylContact O-C 3.59Å; L272-L280 WeakPolarHBondContact O-CA 3.44Å; L272-S281 PolarHBondContact N-OG 3.41Å; L272-S281 PolarHBondContact O-N 3.01Å
273	R	98.1	Very high	96	Very high	42 Å²	42	65.4 Å²	65.4	16%	0.158	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	135	173.5	177.3	170.1	177.9	-79.2	-13.1	110	E225 Y227 P275 E279 L280	E225-R273 VanDerWaalsContact CD-NH1 3.32Å; E225-R273 HydrophobicContact CG-CB 3.78Å; E225-R273 HydrophobicContact CG-CG 4.17Å; E225-R273 PolarHBondContact N-O 3.49Å; E225-R273 PolarHBondContact O-N 3.43Å; E225-R273 WeakPolarHBondContact OE1-CD 3.44Å; E225-R273 IonicContact OE1-CZ 2.99Å; E225-R273 IonicContact OE1-NE 3.02Å; E225-R273 IonicContact OE1-NH1 2.97Å; E225-R273 PolarHBondContact OE1-NH1 2.95Å; E225-R273 IonicContact OE2-NH1 2.88Å; Y227-R273 HydrophobicContact CG-CB 4.37Å; R273-P275 WeakPolarHBondContact O-CD 3.15Å; R273-E279 CarbonylContact C-O 3.54Å; R273-E279 VanDerWaalsContact CA-O 3.28Å; R273-E279 WeakPolarHBondContact CA-O 3.26Å; R273-L280 HydrophobicContact CB-CD2 3.62Å; R273-L280 HydrophobicContact CG-CD2 3.66Å
274	R	97.3	Very high	96.3	Very high	0 Å²	0	60 Å²	60	0%	0	31%	0.314	C	S	.	.			trans	-96.3	113	171	-171.1	-172.6	-43.4	-84.2	8	108.7	P189 N190 A192 L194 D223 S276 D277 R278 E279	P189-R274 PolarHBondContact O-NH1 3.45Å; P189-R274 PolarHBondContact O-NH2 2.84Å; N190-R274 WeakPolarHBondContact O-CD 3.41Å; N190-R274 PolarHBondContact O-NE 2.95Å; A192-R274 PolarHBondContact O-NH2 3.45Å; L194-R274 HydrophobicContact CD1-CB 4.03Å; D223-R274 WeakPolarHBondContact OD2-CD 3.19Å; D223-R274 WeakPolarHBondContact OD2-CG 3.25Å; R274-S276 VanDerWaalsContact C-N 3.32Å; R274-S276 WeakPolarHBondContact CD-OG 3.46Å; R274-S276 WeakPolarHBondContact CG-OG 3.34Å; R274-S276 PolarHBondContact O-N 3.31Å; R274-D277 WeakPolarHBondContact CB-OD1 3.31Å; R274-D277 VanDerWaalsContact CD-OD1 3.27Å; R274-D277 WeakPolarHBondContact CD-OD1 3.26Å; R274-D277 IonicContact NE-OD1 3.67Å; R274-D277 IonicContact NE-OD2 2.82Å; R274-R278 WeakPolarHBondContact O-CA 3.45Å; R274-R278 PolarHBondContact O-N 3.44Å; R274-E279 HydrophobicContact CB-CB 4.17Å; R274-E279 PolarHBondContact N-O 3.25Å
275	P	96.5	Very high	96.6	Very high	51 Å²	51	61.1 Å²	61.1	33%	0.331	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-35.3	-177.8	-29	37.3	0	0	0	114.9	D223 E225 R273	D223-P275 VanDerWaalsContact OD1-CD 3.3Å; D223-P275 WeakPolarHBondContact OD1-CD 3.44Å; E225-P275 HydrophobicContact CG-CG 4.28Å; R273-P275 WeakPolarHBondContact O-CD 3.15Å
276	S	94.6	Very high	96.7	Very high	83 Å²	83	57.7 Å²	57.7	58%	0.58	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-43.4	-173.1	62.2	0	0	0	0	115.1	D223 R274	D223-S276 VanDerWaalsContact CG-OG 3.28Å; D223-S276 VanDerWaalsContact OD1-CB 3.25Å; D223-S276 WeakPolarHBondContact OD1-CB 3.3Å; D223-S276 PolarHBondContact OD1-N 3.34Å; D223-S276 PolarHBondContact OD1-OG 2.88Å; D223-S276 VanDerWaalsContact OD2-CB 3.32Å; D223-S276 WeakPolarHBondContact OD2-CB 3.21Å; D223-S276 PolarHBondContact OD2-OG 3.4Å; R274-S276 VanDerWaalsContact C-N 3.32Å; R274-S276 WeakPolarHBondContact CD-OG 3.46Å; R274-S276 WeakPolarHBondContact CG-OG 3.34Å; R274-S276 PolarHBondContact O-N 3.31Å
277	D	91.6	Very high	96.7	Very high	59 Å²	59	58.9 Å²	58.9	32%	0.316	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.6	-2.2	179.7	65.9	4.4	0	0	0	113.6	R30 R274 E279	R30-D277 IonicContact CZ-OD2 2.81Å; R30-D277 IonicContact NH1-OD2 2.69Å; R30-D277 PolarHBondContact NH1-OD2 2.83Å; R30-D277 VanDerWaalsContact NH1-OD2 3.15Å; R30-D277 IonicContact NH2-OD1 3Å; R30-D277 IonicContact NH2-OD2 3.72Å; R30-D277 PolarHBondContact NH2-OD2 2.83Å; R274-D277 WeakPolarHBondContact CB-OD1 3.31Å; R274-D277 VanDerWaalsContact CD-OD1 3.27Å; R274-D277 WeakPolarHBondContact CD-OD1 3.26Å; R274-D277 IonicContact NE-OD1 3.67Å; R274-D277 IonicContact NE-OD2 2.82Å; D277-E279 PolarHBondContact O-N 2.89Å; D277-E279 WeakPolarHBondContact OD1-CB 3.49Å; D277-E279 PolarHBondContact OD1-N 2.85Å
278	R	93.9	Very high	96.7	Very high	195 Å²	195	51.4 Å²	51.4	74%	0.736	26%	0.262	S	S	*	.			trans	65.3	18.6	-176.6	-45.9	-177	175.9	-178.3	-1.5	114.3	R274	R274-R278 WeakPolarHBondContact O-CA 3.45Å; R274-R278 PolarHBondContact O-N 3.44Å
279	E	94	Very high	96.6	Very high	51 Å²	51	53.9 Å²	53.9	24%	0.238	28%	0.275	C	S	.	.			trans	-57.9	144.8	174.2	-169.1	67.5	-175.5	0	0	111.4	R30 L194 R273 R274 D277	R30-E279 VanDerWaalsContact CD-OE1 3.25Å; R30-E279 WeakPolarHBondContact CD-OE1 3.47Å; R30-E279 IonicContact CZ-OE2 3.83Å; R30-E279 IonicContact NE-OE1 3.64Å; R30-E279 PolarHBondContact NE-OE1 3.44Å; R30-E279 IonicContact NE-OE2 2.71Å; R30-E279 PolarHBondContact NE-OE2 2.98Å; R30-E279 IonicContact NH2-OE2 3.66Å; R30-E279 PolarHBondContact NH2-OE2 3.4Å; L194-E279 HydrophobicContact CD1-CB 4.29Å; L194-E279 HydrophobicContact CD1-CG 4.26Å; L194-E279 HydrophobicContact CG-CG 4.28Å; R273-E279 CarbonylContact C-O 3.54Å; R273-E279 VanDerWaalsContact CA-O 3.28Å; R273-E279 WeakPolarHBondContact CA-O 3.26Å; R274-E279 HydrophobicContact CB-CB 4.17Å; R274-E279 PolarHBondContact N-O 3.25Å; D277-E279 PolarHBondContact O-N 2.89Å; D277-E279 WeakPolarHBondContact OD1-CB 3.49Å; D277-E279 PolarHBondContact OD1-N 2.85Å
280	L	96.1	Very high	96.4	Very high	74 Å²	74	53.2 Å²	53.2	39%	0.387	27%	0.269	S	S	.	.	B	Isolated β-bridge	trans	-124	142	177.4	-63.5	171.8	0	0	0	109.7	Y227 Q271 L272 R273	Y227-L280 HydrophobicContact CD1-CD2 4.12Å; Q271-L280 HydrophobicContact CG-CD2 4.26Å; L272-L280 CarbonylContact O-C 3.59Å; L272-L280 WeakPolarHBondContact O-CA 3.44Å; R273-L280 HydrophobicContact CB-CD2 3.62Å; R273-L280 HydrophobicContact CG-CD2 3.66Å
281	S	97.1	Very high	95.7	Very high	7 Å²	7	56.1 Å²	56.1	5%	0.049	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-72.1	169.4	165.4	71.9	0	0	0	0	111.4	L194 L272	L194-S281 WeakPolarHBondContact O-CA 3.37Å; L194-S281 WeakPolarHBondContact O-CB 3.41Å; L272-S281 PolarHBondContact N-OG 3.41Å; L272-S281 PolarHBondContact O-N 3.01Å
282	E	95.6	Very high	94.4	Very high	158 Å²	158	58.4 Å²	58.4	74%	0.738	30%	0.3	S	S	*	.	P	Polyproline II helix	trans	-52	139.8	159.3	-65.3	-174.3	146.3	0	0	110.3
283	P	97.2	Very high	93	Very high	84 Å²	84	61.7 Å²	61.7	55%	0.545	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-73.3	131.6	179.8	28.1	-33.5	0	0	0	111.4
284	M	96.7	Very high	91.4	Very high	59 Å²	59	64.7 Å²	64.7	29%	0.291	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	142.2	164.4	-171.7	164.1	-67.3	0	0	109.5	I196 V199 M270	I196-M284 HydrophobicContact CB-CE 4.17Å; I196-M284 HydrophobicContact CD1-CB 4.28Å; I196-M284 HydrophobicContact CG2-CE 3.54Å; I196-M284 HydrophobicContact CG2-SD 4.01Å; V199-M284 HydrophobicContact CB-SD 4.11Å; V199-M284 HydrophobicContact CG2-CE 4.41Å; V199-M284 HydrophobicContact CG2-SD 3.44Å; V199-M284 WeakPolarHBondContact CG2-SD 3.44Å; M270-M284 HydrophobicContact CE-CB 4.31Å; M270-M284 HydrophobicContact CE-CG 4.4Å; M270-M284 HydrophobicContact CE-SD 4.39Å; M270-M284 PolarHBondContact N-O 3.02Å; M270-M284 PolarHBondContact O-N 3.47Å; M270-M284 VanDerWaalsContact O-O 3.13Å
285	E	97.8	Very high	89.8	Confident	80 Å²	80	73.8 Å²	73.8	37%	0.374	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	138.4	176.9	-175.4	171.1	96.2	0	0	112.2	R267	R267-E285 HydrophobicContact CB-CG 4.42Å; R267-E285 IonicContact CZ-OE1 2.78Å; R267-E285 IonicContact CZ-OE2 2.83Å; R267-E285 IonicContact NE-OE1 2.74Å; R267-E285 PolarHBondContact NE-OE1 3.36Å; R267-E285 IonicContact NE-OE2 3.25Å; R267-E285 PolarHBondContact NE-OE2 3.46Å; R267-E285 IonicContact NH1-OE1 3.86Å; R267-E285 PolarHBondContact NH1-OE1 2.7Å; R267-E285 IonicContact NH2-OE1 3.75Å; R267-E285 PolarHBondContact NH2-OE1 3.45Å; R267-E285 IonicContact NH2-OE2 2.66Å; R267-E285 PolarHBondContact NH2-OE2 2.86Å
286	F	98.3	Very high	88.3	Confident	0 Å²	0	76.9 Å²	76.9	0%	0	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	142.2	168.2	-172.5	-91.4	0	0	0	110.3	N202 I212 F228 T254 V268 M270 Y288	N202-F286 VanDerWaalsContact C-CD2 3.43Å; N202-F286 CarbonylContact O-C 3.54Å; N202-F286 WeakPolarHBondContact O-CA 3.43Å; I212-F286 HydrophobicContact CD1-CD2 4.2Å; I212-F286 HydrophobicContact CD1-CE2 3.49Å; I212-F286 VanDerWaalsContact CD1-CE2 3.49Å; I212-F286 HydrophobicContact CD1-CZ 4.17Å; F228-F286 HydrophobicContact CE1-CB 4.12Å; F228-F286 AromaticContact CE1-CD1 3.95Å; F228-F286 HydrophobicContact CE1-CD1 3.95Å; F228-F286 HydrophobicContact CE1-CD2 4.3Å; F228-F286 HydrophobicContact CE1-CE1 4.5Å; F228-F286 AromaticContact CE1-CG 3.85Å; F228-F286 HydrophobicContact CE1-CG 3.85Å; T254-F286 HydrophobicContact CG2-CE1 4.27Å; T254-F286 HydrophobicContact CG2-CE2 4.15Å; T254-F286 HydrophobicContact CG2-CZ 3.68Å; V268-F286 HydrophobicContact CG2-CB 3.97Å; V268-F286 HydrophobicContact CG2-CD1 4.11Å; V268-F286 WeakPolarHBondContact CG2-O 3.29Å; V268-F286 PolarHBondContact N-O 3.23Å; V268-F286 PolarHBondContact O-N 3.47Å; M270-F286 HydrophobicContact CB-CB 4.09Å; M270-F286 HydrophobicContact SD-CD2 4.45Å; F286-Y288 HydrophobicContact CD1-CD2 4.25Å; F286-Y288 HydrophobicContact CD1-CE1 4.45Å; F286-Y288 HydrophobicContact CD1-CE2 4.12Å; F286-Y288 HydrophobicContact CD1-CG 4.46Å; F286-Y288 AromaticContact CE1-CD1 3.91Å; F286-Y288 HydrophobicContact CE1-CD1 3.91Å; F286-Y288 HydrophobicContact CE1-CD2 4.39Å; F286-Y288 AromaticContact CE1-CE1 3.79Å; F286-Y288 HydrophobicContact CE1-CE1 3.79Å; F286-Y288 HydrophobicContact CE1-CE2 4.27Å; F286-Y288 HydrophobicContact CE1-CG 4.21Å; F286-Y288 AromaticContact CE1-CZ 3.96Å
287	Q	98.1	Very high	87.1	Confident	64 Å²	64	79.5 Å²	79.5	30%	0.299	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	110.4	-179	-173.1	174.6	52.4	0	0	112.1	N202 S203 G204 P265 V266 L289	N202-Q287 PolarHBondContact O-N 2.96Å; S203-Q287 CarbonylContact C-O 3.55Å; S203-Q287 WeakPolarHBondContact CA-O 3.27Å; S203-Q287 VanDerWaalsContact CB-O 3.26Å; S203-Q287 WeakPolarHBondContact CB-O 3.28Å; G204-Q287 PolarHBondContact N-O 3.14Å; P265-Q287 HydrophobicContact CB-CG 3.87Å; P265-Q287 VanDerWaalsContact CB-NE2 3.32Å; V266-Q287 CarbonylContact O-C 3.54Å; V266-Q287 WeakPolarHBondContact O-CA 3.41Å; Q287-L289 HydrophobicContact CG-CD2 4.03Å
288	Y	97.8	Very high	86.2	Confident	0 Å²	0	82 Å²	82	0%	0	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	137.6	167	-76.3	-69.8	0	0	0	110.5	G204 S205 W233 P255 Y257 P265 V266 V268 F286	G204-Y288 CarbonylContact O-C 3.42Å; G204-Y288 WeakPolarHBondContact O-CA 3.46Å; S205-Y288 WeakPolarHBondContact O-CD1 3.46Å; W233-Y288 AromaticContact CH2-CE2 3.58Å; W233-Y288 HydrophobicContact CH2-CE2 3.58Å; W233-Y288 HydrophobicContact CZ2-CE2 4.39Å; W233-Y288 HydrophobicContact CZ3-CE2 4.01Å; P255-Y288 PolarHBondContact O-OH 3.29Å; Y257-Y288 AromaticContact CD2-CD2 3.5Å; Y257-Y288 HydrophobicContact CD2-CD2 3.5Å; Y257-Y288 VanDerWaalsContact CD2-CD2 3.5Å; Y257-Y288 AromaticContact CD2-CE2 3.78Å; Y257-Y288 HydrophobicContact CD2-CE2 3.78Å; Y257-Y288 HydrophobicContact CD2-CG 4.2Å; Y257-Y288 HydrophobicContact CE2-CD2 4.33Å; Y257-Y288 AromaticContact CG-CD2 3.81Å; Y257-Y288 HydrophobicContact CG-CD2 3.81Å; Y257-Y288 HydrophobicContact CG-CE2 4.27Å; Y257-Y288 HydrophobicContact CG-CG 4.03Å; P265-Y288 CarbonylContact C-O 3.51Å; P265-Y288 VanDerWaalsContact CA-O 3.24Å; P265-Y288 WeakPolarHBondContact CA-O 3.33Å; V266-Y288 PolarHBondContact N-O 2.94Å; V266-Y288 PolarHBondContact O-N 2.89Å; V268-Y288 HydrophobicContact CG1-CD2 4.03Å; V268-Y288 HydrophobicContact CG1-CE2 4.33Å; V268-Y288 HydrophobicContact CG2-CD2 3.86Å; V268-Y288 HydrophobicContact CG2-CE2 3.74Å; F286-Y288 HydrophobicContact CD1-CD2 4.25Å; F286-Y288 HydrophobicContact CD1-CE1 4.45Å; F286-Y288 HydrophobicContact CD1-CE2 4.12Å; F286-Y288 HydrophobicContact CD1-CG 4.46Å; F286-Y288 AromaticContact CE1-CD1 3.91Å; F286-Y288 HydrophobicContact CE1-CD1 3.91Å; F286-Y288 HydrophobicContact CE1-CD2 4.39Å; F286-Y288 AromaticContact CE1-CE1 3.79Å; F286-Y288 HydrophobicContact CE1-CE1 3.79Å; F286-Y288 HydrophobicContact CE1-CE2 4.27Å; F286-Y288 HydrophobicContact CE1-CG 4.21Å; F286-Y288 AromaticContact CE1-CZ 3.96Å
289	L	95.8	Very high	85.4	Confident	59 Å²	59	76.1 Å²	76.1	31%	0.309	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	146.9	-178.1	-57.6	178.4	0	0	0	109.8	G204 C206 P265 Q287 D291	G204-L289 WeakPolarHBondContact O-CB 3.38Å; G204-L289 PolarHBondContact O-N 3.2Å; C206-L289 PolarHBondContact N-O 2.86Å; C206-L289 PolarHBondContact SG-O 2.92Å; P265-L289 HydrophobicContact CB-CD2 3.91Å; P265-L289 HydrophobicContact CG-CD2 3.91Å; Q287-L289 HydrophobicContact CG-CD2 4.03Å; L289-D291 PolarHBondContact O-N 2.82Å
290	P	93.3	Very high	84.7	Confident	32 Å²	32	80.3 Å²	80.3	21%	0.208	39%	0.391	C	S	.	.			trans	-47.1	134.2	166.8	-32	38.9	0	0	0	112.5	L262 T292	L262-P290 VanDerWaalsContact O-CA 3.3Å; L262-P290 WeakPolarHBondContact O-CA 3.08Å; L262-P290 WeakPolarHBondContact O-CB 3.01Å; L262-P290 WeakPolarHBondContact O-CG 2.99Å; P290-T292 VanDerWaalsContact C-N 3.3Å; P290-T292 HydrophobicContact CB-CG2 4.45Å; P290-T292 PolarHBondContact O-N 2.86Å
291	D	84.4	Confident	84	Confident	62 Å²	62	83.8 Å²	83.8	33%	0.332	40%	0.403	S	S	.	.			trans	-72.8	89.1	171.7	-164.6	69.5	0	0	0	110.3	S205 C206 L207 L289 D293	S205-D291 PolarHBondContact OG-OD1 2.65Å; C206-D291 PolarHBondContact SG-N 2.95Å; C206-D291 VanDerWaalsContact SG-N 3.45Å; L207-D291 HydrophobicContact CD1-CB 3.99Å; L207-D291 VanDerWaalsContact CD1-CG 3.4Å; L207-D291 WeakPolarHBondContact CD1-OD2 3.33Å; L207-D291 HydrophobicContact CG-CB 3.92Å; L289-D291 PolarHBondContact O-N 2.82Å; D291-D293 PolarHBondContact O-N 2.81Å
292	T	70.8	Confident	83.2	Confident	67 Å²	67	91.2 Å²	91.2	41%	0.411	43%	0.43	S	S	.	.			trans	-81.2	71.1	171.8	63.7	0	0	0	0	109.1	P290 D294 R297	P290-T292 VanDerWaalsContact C-N 3.3Å; P290-T292 HydrophobicContact CB-CG2 4.45Å; P290-T292 PolarHBondContact O-N 2.86Å; T292-D294 PolarHBondContact O-N 2.91Å; T292-R297 PolarHBondContact O-NE 2.84Å; T292-R297 PolarHBondContact OG1-NE 3.14Å; T292-R297 PolarHBondContact OG1-NH2 2.82Å
293	D	68.9	Low	82.6	Confident	68 Å²	68	90.6 Å²	90.6	36%	0.364	43%	0.425	S	S	.	.			trans	-40.9	135.6	169.9	177.5	5.6	0	0	0	109.5	D291 R295 H296 R297	D291-D293 PolarHBondContact O-N 2.81Å; D293-R295 PolarHBondContact O-N 3.06Å; D293-R295 VanDerWaalsContact O-N 3.09Å; D293-R295 PolarHBondContact OD1-N 2.67Å; D293-R295 WeakPolarHBondContact OD2-CB 3.1Å; D293-H296 WeakPolarHBondContact O-CA 3.29Å; D293-H296 WeakPolarHBondContact O-CB 3.48Å; D293-H296 PolarHBondContact O-N 2.98Å; D293-R297 PolarHBondContact O-N 2.86Å
294	D	63.5	Low	82	Confident	106 Å²	106	97.4 Å²	97.4	57%	0.567	44%	0.439	S	S	*	.	H	α-helix	trans	-55.6	-28.2	176.3	-94	-18.8	0	0	0	111	T292 R297 I298	T292-D294 PolarHBondContact O-N 2.91Å; D294-R297 PolarHBondContact O-N 3.45Å; D294-I298 VanDerWaalsContact O-CB 3.23Å; D294-I298 WeakPolarHBondContact O-CB 3.2Å; D294-I298 WeakPolarHBondContact O-CD1 3.37Å; D294-I298 WeakPolarHBondContact O-CG1 3.45Å; D294-I298 PolarHBondContact O-N 3.02Å
295	R	63.8	Low	81.4	Confident	190 Å²	190	97.8 Å²	97.8	72%	0.717	45%	0.445	S	S	*	.	H	α-helix	trans	-61.7	-44.5	170.3	-168.8	-177.4	174.7	-177.2	-2.2	112.9	D293 I298 E299	D293-R295 PolarHBondContact O-N 3.06Å; D293-R295 VanDerWaalsContact O-N 3.09Å; D293-R295 PolarHBondContact OD1-N 2.67Å; D293-R295 WeakPolarHBondContact OD2-CB 3.1Å; R295-I298 PolarHBondContact O-N 3.07Å; R295-E299 WeakPolarHBondContact O-CB 3.37Å; R295-E299 PolarHBondContact O-N 3.14Å
296	H	65.8	Low	80.8	Confident	116 Å²	116	99.8 Å²	99.8	54%	0.537	45%	0.45	S	S	.	.	H	α-helix	trans	-66	-43.4	175.6	-69.9	149.9	0	0	0	110.8	D293 I298 E299 E300	D293-H296 WeakPolarHBondContact O-CA 3.29Å; D293-H296 WeakPolarHBondContact O-CB 3.48Å; D293-H296 PolarHBondContact O-N 2.98Å; H296-I298 PolarHBondContact O-N 3.37Å; H296-E299 PolarHBondContact O-N 2.88Å; H296-E300 WeakPolarHBondContact O-CB 3.23Å; H296-E300 WeakPolarHBondContact O-CG 3.42Å; H296-E300 PolarHBondContact O-N 3.27Å
297	R	68.1	Low	80.1	Confident	139 Å²	139	105.1 Å²	105.1	53%	0.525	48%	0.475	S	S	.	.	H	α-helix	trans	-61.4	-41.1	174.8	-68.4	179.6	167.1	-173.8	1.2	112.7	T292 D293 D294 K301	T292-R297 PolarHBondContact O-NE 2.84Å; T292-R297 PolarHBondContact OG1-NE 3.14Å; T292-R297 PolarHBondContact OG1-NH2 2.82Å; D293-R297 PolarHBondContact O-N 2.86Å; D294-R297 PolarHBondContact O-N 3.45Å; R297-K301 WeakPolarHBondContact O-CB 3.47Å; R297-K301 PolarHBondContact O-N 3.04Å
298	I	74.1	Confident	79.5	Confident	112 Å²	112	106.2 Å²	106.2	57%	0.574	49%	0.486	S	S	*	.	H	α-helix	trans	-66.3	-42.2	176.3	-72.9	163.4	0	0	0	110.4	D294 R295 H296 K301 R302	D294-I298 VanDerWaalsContact O-CB 3.23Å; D294-I298 WeakPolarHBondContact O-CB 3.2Å; D294-I298 WeakPolarHBondContact O-CD1 3.37Å; D294-I298 WeakPolarHBondContact O-CG1 3.45Å; D294-I298 PolarHBondContact O-N 3.02Å; R295-I298 PolarHBondContact O-N 3.07Å; H296-I298 PolarHBondContact O-N 3.37Å; I298-K301 PolarHBondContact O-N 3.13Å; I298-R302 WeakPolarHBondContact O-CB 3.26Å; I298-R302 PolarHBondContact O-N 2.88Å
299	E	76.8	Confident	78.9	Confident	70 Å²	70	111.7 Å²	111.7	33%	0.327	51%	0.51	S	S	.	.	H	α-helix	trans	-70.5	-41	179.5	-173.8	54.8	-148.3	0	0	112.2	R295 H296 R302 K303	R295-E299 WeakPolarHBondContact O-CB 3.37Å; R295-E299 PolarHBondContact O-N 3.14Å; H296-E299 PolarHBondContact O-N 2.88Å; E299-R302 WeakPolarHBondContact O-CB 3.26Å; E299-R302 PolarHBondContact O-N 3.32Å; E299-R302 IonicContact OE2-NH1 2.93Å; E299-K303 HydrophobicContact CG-CD 4.47Å; E299-K303 WeakPolarHBondContact O-CB 3.43Å; E299-K303 WeakPolarHBondContact O-CG 3.48Å; E299-K303 PolarHBondContact O-N 3.42Å; E299-K303 WeakPolarHBondContact OE1-CE 3.2Å
300	E	78.8	Confident	78.3	Confident	140 Å²	140	111.9 Å²	111.9	65%	0.654	51%	0.509	S	S	*	.	H	α-helix	trans	-61.4	-46.2	170.2	-75	-169.7	161.7	0	0	111.8	H296 R302 K303 R304	H296-E300 WeakPolarHBondContact O-CB 3.23Å; H296-E300 WeakPolarHBondContact O-CG 3.42Å; H296-E300 PolarHBondContact O-N 3.27Å; E300-R302 VanDerWaalsContact C-N 3.29Å; E300-R302 PolarHBondContact O-N 2.86Å; E300-K303 PolarHBondContact O-N 3.29Å; E300-R304 VanDerWaalsContact O-CB 3.26Å; E300-R304 WeakPolarHBondContact O-CB 3.36Å; E300-R304 PolarHBondContact O-N 2.93Å
301	K	80.9	Confident	77.8	Confident	146 Å²	146	112.5 Å²	112.5	64%	0.635	51%	0.514	S	S	*	.	H	α-helix	trans	-60.4	-40.2	175.2	-175.7	177	-178.6	178.9	0	110.9	R297 I298 R304 T305	R297-K301 WeakPolarHBondContact O-CB 3.47Å; R297-K301 PolarHBondContact O-N 3.04Å; I298-K301 PolarHBondContact O-N 3.13Å; K301-R304 PolarHBondContact O-N 2.78Å; K301-T305 HydrophobicContact CG-CG2 4.44Å; K301-T305 WeakPolarHBondContact O-CB 3.44Å; K301-T305 WeakPolarHBondContact O-CG2 3.5Å; K301-T305 PolarHBondContact O-N 3.46Å; K301-T305 PolarHBondContact O-OG1 3.41Å
302	R	80.8	Confident	77.7	Confident	164 Å²	164	114.4 Å²	114.4	62%	0.619	52%	0.523	S	S	*	.	H	α-helix	trans	-64	-48.9	177	-175.9	-175.2	-172.9	178.5	3.4	111.2	I298 E299 E300 T305 Y306	I298-R302 WeakPolarHBondContact O-CB 3.26Å; I298-R302 PolarHBondContact O-N 2.88Å; E299-R302 WeakPolarHBondContact O-CB 3.26Å; E299-R302 PolarHBondContact O-N 3.32Å; E299-R302 IonicContact OE2-NH1 2.93Å; E300-R302 VanDerWaalsContact C-N 3.29Å; E300-R302 PolarHBondContact O-N 2.86Å; R302-T305 PolarHBondContact O-N 3.49Å; R302-Y306 WeakPolarHBondContact O-CA 3.39Å; R302-Y306 WeakPolarHBondContact O-CB 3.3Å; R302-Y306 PolarHBondContact O-N 3.09Å
303	K	84	Confident	78	Confident	145 Å²	145	116.1 Å²	116.1	63%	0.63	53%	0.527	S	S	*	.	H	α-helix	trans	-58.2	-47.9	174.4	-72.4	169.5	-179.8	170.5	0	111.4	E299 E300 T305 Y306	E299-K303 HydrophobicContact CG-CD 4.47Å; E299-K303 WeakPolarHBondContact O-CB 3.43Å; E299-K303 WeakPolarHBondContact O-CG 3.48Å; E299-K303 PolarHBondContact O-N 3.42Å; E299-K303 WeakPolarHBondContact OE1-CE 3.2Å; E300-K303 PolarHBondContact O-N 3.29Å; K303-T305 PolarHBondContact O-N 2.77Å; K303-Y306 VanDerWaalsContact O-CB 3.31Å; K303-Y306 WeakPolarHBondContact O-CB 3.49Å; K303-Y306 PolarHBondContact O-N 2.99Å
304	R	84.4	Confident	78.3	Confident	227 Å²	227	120.4 Å²	120.4	86%	0.857	54%	0.543	S	S	*	.	H	α-helix	trans	-67.4	-32.9	-178.7	-164	175.9	-165.3	169.5	5.8	113.6	E300 K301	E300-R304 VanDerWaalsContact O-CB 3.26Å; E300-R304 WeakPolarHBondContact O-CB 3.36Å; E300-R304 PolarHBondContact O-N 2.93Å; K301-R304 PolarHBondContact O-N 2.78Å
305	T	83.1	Confident	78.6	Confident	66 Å²	66	123.3 Å²	123.3	41%	0.405	55%	0.55	S	S	.	*	H	α-helix	trans	-92.4	-2.2	177.7	57.8	0	0	0	0	113.8	K301 R302 K303 E307 T308 F309	K301-T305 HydrophobicContact CG-CG2 4.44Å; K301-T305 WeakPolarHBondContact O-CB 3.44Å; K301-T305 WeakPolarHBondContact O-CG2 3.5Å; K301-T305 PolarHBondContact O-N 3.46Å; K301-T305 PolarHBondContact O-OG1 3.41Å; R302-T305 PolarHBondContact O-N 3.49Å; K303-T305 PolarHBondContact O-N 2.77Å; T305-E307 PolarHBondContact O-N 3.2Å; T305-T308 WeakPolarHBondContact O-CB 3.41Å; T305-T308 PolarHBondContact O-N 3.3Å; T305-F309 WeakPolarHBondContact O-CB 3.19Å; T305-F309 PolarHBondContact O-N 2.86Å
306	Y	85.3	Confident	78.6	Confident	123 Å²	123	118.2 Å²	118.2	48%	0.482	54%	0.544	S	S	.	.	H	α-helix	trans	-57.2	-50.8	-173.5	-176.4	-103.6	0	0	0	113.3	R302 K303 T308 F309 K310	R302-Y306 WeakPolarHBondContact O-CA 3.39Å; R302-Y306 WeakPolarHBondContact O-CB 3.3Å; R302-Y306 PolarHBondContact O-N 3.09Å; K303-Y306 VanDerWaalsContact O-CB 3.31Å; K303-Y306 WeakPolarHBondContact O-CB 3.49Å; K303-Y306 PolarHBondContact O-N 2.99Å; Y306-T308 PolarHBondContact O-N 3.17Å; Y306-F309 PolarHBondContact O-N 3.47Å; Y306-K310 HydrophobicContact CE1-CD 3.94Å; Y306-K310 VanDerWaalsContact O-CB 3.26Å; Y306-K310 WeakPolarHBondContact O-CB 3.23Å; Y306-K310 PolarHBondContact O-N 2.93Å
307	E	82.6	Confident	78.2	Confident	111 Å²	111	117.2 Å²	117.2	52%	0.519	55%	0.548	S	S	.	.	H	α-helix	trans	-69.9	-32.6	179.6	-70.3	-58.7	141.6	0	0	112.3	T305 K310 S311	T305-E307 PolarHBondContact O-N 3.2Å; E307-K310 IonicContact OE1-NZ 3.41Å; E307-K310 PolarHBondContact OE1-NZ 3.05Å; E307-K310 IonicContact OE2-NZ 2.73Å; E307-K310 PolarHBondContact OE2-NZ 3.45Å; E307-S311 VanDerWaalsContact O-CB 3.27Å; E307-S311 WeakPolarHBondContact O-CB 3.35Å; E307-S311 PolarHBondContact O-N 3.32Å
308	T	86.1	Confident	77.6	Confident	88 Å²	88	120.3 Å²	120.3	54%	0.54	57%	0.565	S	S	.	*	H	α-helix	trans	-63.4	-45.9	171.4	-53	0	0	0	0	111.3	T305 Y306 S311 I312	T305-T308 WeakPolarHBondContact O-CB 3.41Å; T305-T308 PolarHBondContact O-N 3.3Å; Y306-T308 PolarHBondContact O-N 3.17Å; T308-S311 WeakPolarHBondContact O-CB 3.22Å; T308-S311 PolarHBondContact O-N 2.9Å; T308-I312 HydrophobicContact CG2-CD1 4.2Å; T308-I312 WeakPolarHBondContact O-CG1 3.48Å; T308-I312 PolarHBondContact O-N 3.18Å
309	F	84.6	Confident	76.6	Confident	115 Å²	115	120.2 Å²	120.2	50%	0.504	58%	0.575	S	S	.	*	H	α-helix	trans	-63.7	-44.2	177.5	178.6	-109	0	0	0	111.8	T305 Y306 S311 I312 M313	T305-F309 WeakPolarHBondContact O-CB 3.19Å; T305-F309 PolarHBondContact O-N 2.86Å; Y306-F309 PolarHBondContact O-N 3.47Å; F309-S311 VanDerWaalsContact C-N 3.33Å; F309-S311 PolarHBondContact O-N 3.43Å; F309-I312 PolarHBondContact O-N 3.5Å; F309-M313 HydrophobicContact CD1-CE 3.71Å; F309-M313 HydrophobicContact CD1-SD 4.21Å; F309-M313 HydrophobicContact CE1-CE 3.39Å; F309-M313 HydrophobicContact CE1-CG 4.21Å; F309-M313 HydrophobicContact CE1-SD 3.45Å; F309-M313 WeakPolarHBondContact CE1-SD 3.49Å; F309-M313 HydrophobicContact CE2-CG 4.35Å; F309-M313 HydrophobicContact CE2-SD 4.39Å; F309-M313 HydrophobicContact CZ-CE 4.14Å; F309-M313 HydrophobicContact CZ-CG 4.08Å; F309-M313 HydrophobicContact CZ-SD 3.56Å; F309-M313 VanDerWaalsContact CZ-SD 3.56Å; F309-M313 WeakPolarHBondContact O-CG 3.1Å; F309-M313 PolarHBondContact O-N 2.76Å
310	K	83.6	Confident	75.4	Confident	63 Å²	63	118.6 Å²	118.6	27%	0.274	58%	0.576	S	S	.	*	H	α-helix	trans	-63.1	-36.3	174.4	-173	174.5	168.1	-165	0	112.3	Y306 E307 K314	Y306-K310 HydrophobicContact CE1-CD 3.94Å; Y306-K310 VanDerWaalsContact O-CB 3.26Å; Y306-K310 WeakPolarHBondContact O-CB 3.23Å; Y306-K310 PolarHBondContact O-N 2.93Å; E307-K310 IonicContact OE1-NZ 3.41Å; E307-K310 PolarHBondContact OE1-NZ 3.05Å; E307-K310 IonicContact OE2-NZ 2.73Å; E307-K310 PolarHBondContact OE2-NZ 3.45Å; K310-K314 WeakPolarHBondContact O-CB 3.45Å; K310-K314 VanDerWaalsContact O-CG 3.26Å; K310-K314 WeakPolarHBondContact O-CG 3.29Å; K310-K314 PolarHBondContact O-N 2.91Å
311	S	82.4	Confident	74.1	Confident	45 Å²	45	117.6 Å²	117.6	32%	0.315	58%	0.582	S	S	.	*	H	α-helix	trans	-65.2	-42.7	171.4	-175	0	0	0	0	111.9	E307 T308 F309 K314 K315	E307-S311 VanDerWaalsContact O-CB 3.27Å; E307-S311 WeakPolarHBondContact O-CB 3.35Å; E307-S311 PolarHBondContact O-N 3.32Å; T308-S311 WeakPolarHBondContact O-CB 3.22Å; T308-S311 PolarHBondContact O-N 2.9Å; F309-S311 VanDerWaalsContact C-N 3.33Å; F309-S311 PolarHBondContact O-N 3.43Å; S311-K314 PolarHBondContact O-N 2.93Å; S311-K315 WeakPolarHBondContact O-CB 3.45Å; S311-K315 VanDerWaalsContact O-CG 3.3Å; S311-K315 WeakPolarHBondContact O-CG 3.4Å; S311-K315 PolarHBondContact O-N 3.44Å
312	I	83.3	Confident	72.8	Confident	101 Å²	101	117.8 Å²	117.8	52%	0.518	60%	0.596	S	S	.	*	H	α-helix	trans	-63	-48.6	175.7	-68.3	162.5	0	0	0	110.8	T308 F309 K314 K315 S316	T308-I312 HydrophobicContact CG2-CD1 4.2Å; T308-I312 WeakPolarHBondContact O-CG1 3.48Å; T308-I312 PolarHBondContact O-N 3.18Å; F309-I312 PolarHBondContact O-N 3.5Å; I312-K314 VanDerWaalsContact C-N 3.26Å; I312-K314 PolarHBondContact O-N 2.61Å; I312-K315 PolarHBondContact O-N 3Å; I312-S316 PolarHBondContact O-N 3.08Å
313	M	76.9	Confident	71.5	Confident	104 Å²	104	113.3 Å²	113.3	51%	0.512	58%	0.584	S	S	.	*	H	α-helix	trans	-62.5	-29.6	177.1	-69.1	-164.9	-60	0	0	113.6	F309 S316	F309-M313 HydrophobicContact CD1-CE 3.71Å; F309-M313 HydrophobicContact CD1-SD 4.21Å; F309-M313 HydrophobicContact CE1-CE 3.39Å; F309-M313 HydrophobicContact CE1-CG 4.21Å; F309-M313 HydrophobicContact CE1-SD 3.45Å; F309-M313 WeakPolarHBondContact CE1-SD 3.49Å; F309-M313 HydrophobicContact CE2-CG 4.35Å; F309-M313 HydrophobicContact CE2-SD 4.39Å; F309-M313 HydrophobicContact CZ-CE 4.14Å; F309-M313 HydrophobicContact CZ-CG 4.08Å; F309-M313 HydrophobicContact CZ-SD 3.56Å; F309-M313 VanDerWaalsContact CZ-SD 3.56Å; F309-M313 WeakPolarHBondContact O-CG 3.1Å; F309-M313 PolarHBondContact O-N 2.76Å; M313-S316 CarbonylContact O-C 3.56Å
314	K	74.6	Confident	70	Confident	158 Å²	158	112.7 Å²	112.7	69%	0.687	60%	0.595	S	S	*	*	H	α-helix	trans	-78.2	-34.1	174.6	-77.2	177.4	174.7	-169.9	0	113.3	K310 S311 I312	K310-K314 WeakPolarHBondContact O-CB 3.45Å; K310-K314 VanDerWaalsContact O-CG 3.26Å; K310-K314 WeakPolarHBondContact O-CG 3.29Å; K310-K314 PolarHBondContact O-N 2.91Å; S311-K314 PolarHBondContact O-N 2.93Å; I312-K314 VanDerWaalsContact C-N 3.26Å; I312-K314 PolarHBondContact O-N 2.61Å
315	K	70.6	Confident	68.6	Low	166 Å²	166	110.6 Å²	110.6	72%	0.722	59%	0.587	S	S	*	*	H	α-helix	trans	-79.9	-27.8	179.5	-73	177.9	-179.2	-173.4	0	112.9	S311 I312	S311-K315 WeakPolarHBondContact O-CB 3.45Å; S311-K315 VanDerWaalsContact O-CG 3.3Å; S311-K315 WeakPolarHBondContact O-CG 3.4Å; S311-K315 PolarHBondContact O-N 3.44Å; I312-K315 PolarHBondContact O-N 3Å
316	S	63.1	Low	67	Low	84 Å²	84	113 Å²	113	59%	0.587	60%	0.604	S	S	*	*	S	Bend	trans	-120.6	82.2	171	-62.9	0	0	0	0	109.3	I312 M313 F318	I312-S316 PolarHBondContact O-N 3.08Å; M313-S316 CarbonylContact O-C 3.56Å; S316-F318 PolarHBondContact O-N 3.31Å
317	P	57.5	Low	65.5	Low	95 Å²	95	112.7 Å²	112.7	62%	0.617	62%	0.617	S	S	*	*			trans	-56.9	126.2	163.1	25.1	-30.4	0	0	0	107.2	S319	P317-S319 PolarHBondContact O-N 3.43Å
318	F	55.2	Low	64.2	Low	203 Å²	203	113.2 Å²	113.2	89%	0.89	63%	0.63	S	S	*	*			trans	-72.8	80	176.6	-163.3	-88.7	0	0	0	108.4	S316 G320	S316-F318 PolarHBondContact O-N 3.31Å; F318-G320 PolarHBondContact O-N 2.78Å
319	S	54.8	Low	62.5	Low	111 Å²	111	120.4 Å²	120.4	78%	0.776	65%	0.647	S	S	*	*			trans	-67.8	78.7	164.9	57.8	0	0	0	0	107.7	P317	P317-S319 PolarHBondContact O-N 3.43Å
320	G	50	Low	60.8	Low	35 Å²	35	126.8 Å²	126.8	36%	0.361	67%	0.668	S	S	.	*			trans	-54.5	134.7	170.1	0	0	0	0	0	108.8	F318 T322	F318-G320 PolarHBondContact O-N 2.78Å; G320-T322 PolarHBondContact O-N 3.2Å
321	P	51.4	Low	59.4	Low	119 Å²	119	130.3 Å²	130.3	77%	0.773	69%	0.688	S	S	*	*			trans	-58.3	123.7	177.6	-22.6	32.9	0	0	0	110	D323	P321-D323 HydrophobicContact CB-CB 4.49Å; P321-D323 PolarHBondContact O-N 3.38Å
322	T	53.7	Low	57.5	Low	150 Å²	150	132.7 Å²	132.7	92%	0.92	71%	0.711	S	S	*	*			trans	-78	29.7	172.6	52.5	0	0	0	0	112.1	G320	G320-T322 PolarHBondContact O-N 3.2Å
323	D	53.7	Low	56	Low	71 Å²	71	133.6 Å²	133.6	38%	0.38	72%	0.72	S	S	.	*			trans	-98.1	121.9	177.7	-166.5	-34.5	0	0	0	107.9	P321 R325	P321-D323 HydrophobicContact CB-CB 4.49Å; P321-D323 PolarHBondContact O-N 3.38Å; D323-R325 PolarHBondContact O-N 2.96Å; D323-R325 WeakPolarHBondContact OD1-CB 3.44Å; D323-R325 WeakPolarHBondContact OD1-CG 3.39Å; D323-R325 IonicContact OD1-CZ 3.7Å; D323-R325 PolarHBondContact OD1-N 3.35Å; D323-R325 IonicContact OD1-NE 2.86Å; D323-R325 PolarHBondContact OD1-NE 3.46Å; D323-R325 IonicContact OD1-NH2 3.66Å; D323-R325 IonicContact OD2-CZ 3.37Å; D323-R325 IonicContact OD2-NE 3.26Å; D323-R325 PolarHBondContact OD2-NE 2.82Å; D323-R325 IonicContact OD2-NH2 2.69Å; D323-R325 PolarHBondContact OD2-NH2 2.93Å
324	P	52.6	Low	54.3	Low	131 Å²	131	134.2 Å²	134.2	85%	0.851	73%	0.732	S	S	*	*			trans	-71.4	7.6	-177.8	30.5	-36.3	0	0	0	113.7
325	R	54.8	Low	52.8	Low	183 Å²	183	132.3 Å²	132.3	69%	0.691	74%	0.739	S	S	*	*	S	Bend	trans	-87.9	126.4	177.4	-69.8	177.7	-72.6	-175.9	-0.9	111.2	D323	D323-R325 PolarHBondContact O-N 2.96Å; D323-R325 WeakPolarHBondContact OD1-CB 3.44Å; D323-R325 WeakPolarHBondContact OD1-CG 3.39Å; D323-R325 IonicContact OD1-CZ 3.7Å; D323-R325 PolarHBondContact OD1-N 3.35Å; D323-R325 IonicContact OD1-NE 2.86Å; D323-R325 PolarHBondContact OD1-NE 3.46Å; D323-R325 IonicContact OD1-NH2 3.66Å; D323-R325 IonicContact OD2-CZ 3.37Å; D323-R325 IonicContact OD2-NE 3.26Å; D323-R325 PolarHBondContact OD2-NE 2.82Å; D323-R325 IonicContact OD2-NH2 2.69Å; D323-R325 PolarHBondContact OD2-NH2 2.93Å
326	P	50	Low	51.4	Low	118 Å²	118	135.6 Å²	135.6	77%	0.766	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-63.7	132.2	178.3	26.5	-33.6	0	0	0	110
327	P	53.4	Low	50.2	Low	115 Å²	115	136.9 Å²	136.9	75%	0.747	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-64.2	136.2	176.8	26.3	-33.4	0	0	0	109.6	R329	P327-R329 PolarHBondContact O-N 3.12Å
328	P	56.6	Low	49.3	Very low	122 Å²	122	137.7 Å²	137.7	79%	0.792	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-60.6	131.5	175.1	25.5	-33.2	0	0	0	109.1	R330	P328-R330 PolarHBondContact O-N 3.07Å
329	R	49.5	Very low	48.6	Very low	240 Å²	240	132.5 Å²	132.5	91%	0.906	76%	0.759	S	S	*	*			trans	-58.2	96.8	179.4	-72.6	-178.9	176.8	174.8	-1.2	110.2	P327 I331	P327-R329 PolarHBondContact O-N 3.12Å; R329-I331 VanDerWaalsContact C-N 3.27Å; R329-I331 PolarHBondContact O-N 3.23Å
330	R	50.3	Low	47.9	Very low	248 Å²	248	133 Å²	133	94%	0.936	76%	0.762	S	S	*	*			trans	-72	86.3	166.3	-106.2	-172.2	177.3	-173	0.8	108.7	P328 A332	P328-R330 PolarHBondContact O-N 3.07Å; R330-A332 PolarHBondContact O-N 3.18Å
331	I	52.9	Low	47.7	Very low	138 Å²	138	137.3 Å²	137.3	71%	0.708	78%	0.781	S	S	*	*			trans	-63.2	116.8	160.2	-62.4	175	0	0	0	106.2	R329 V333	R329-I331 VanDerWaalsContact C-N 3.27Å; R329-I331 PolarHBondContact O-N 3.23Å; I331-V333 VanDerWaalsContact C-N 3.3Å; I331-V333 HydrophobicContact CG2-CG2 4.18Å; I331-V333 PolarHBondContact O-N 2.81Å
332	A	43.4	Very low	47.3	Very low	95 Å²	95	137.4 Å²	137.4	79%	0.785	78%	0.782	S	S	*	*			trans	-72.6	87.4	173.8	0	0	0	0	0	109	R330 P334	R330-A332 PolarHBondContact O-N 3.18Å; A332-P334 WeakPolarHBondContact O-CD 3.39Å
333	V	50.5	Low	46.5	Very low	119 Å²	119	139.7 Å²	139.7	72%	0.721	78%	0.779	S	S	*	*			trans	-72.8	123.7	170.1	-175.2	0	0	0	0	108	I331 S335	I331-V333 VanDerWaalsContact C-N 3.3Å; I331-V333 HydrophobicContact CG2-CG2 4.18Å; I331-V333 PolarHBondContact O-N 2.81Å; V333-S335 PolarHBondContact O-N 2.93Å; V333-S335 VanDerWaalsContact O-N 3.12Å
334	P	41	Very low	45.8	Very low	118 Å²	118	141.7 Å²	141.7	77%	0.766	80%	0.796	S	S	*	*			trans	-64.4	114.7	176	-20.9	33.3	0	0	0	110.5	A332 R336	A332-P334 WeakPolarHBondContact O-CD 3.39Å; P334-R336 PolarHBondContact O-N 3.02Å; P334-R336 VanDerWaalsContact O-N 3.07Å
335	S	43.3	Very low	45.7	Very low	118 Å²	118	139.9 Å²	139.9	83%	0.825	79%	0.792	S	S	*	*			trans	-69.2	102.7	171.5	-179.1	0	0	0	0	109.3	V333 S337	V333-S335 PolarHBondContact O-N 2.93Å; V333-S335 VanDerWaalsContact O-N 3.12Å; S335-S337 PolarHBondContact O-N 2.69Å
336	R	41.5	Very low	45	Very low	234 Å²	234	136.9 Å²	136.9	88%	0.883	80%	0.796	S	S	*	*			trans	-88	95.9	173.5	-165.2	179.9	-171	-146	3.1	108.6	P334 S338	P334-R336 PolarHBondContact O-N 3.02Å; P334-R336 VanDerWaalsContact O-N 3.07Å; R336-S338 PolarHBondContact O-N 3.26Å
337	S	38.4	Very low	44.6	Very low	112 Å²	112	138.8 Å²	138.8	78%	0.783	79%	0.794	S	S	*	*			trans	-62.2	99.5	175.4	53.4	0	0	0	0	111	S335 A339	S335-S337 PolarHBondContact O-N 2.69Å; S337-A339 PolarHBondContact O-N 3.3Å
338	S	38.1	Very low	44	Very low	112 Å²	112	138.2 Å²	138.2	78%	0.783	79%	0.791	S	S	*	*			trans	-83.8	99.4	176.5	55.7	0	0	0	0	110.8	R336 S340	R336-S338 PolarHBondContact O-N 3.26Å; S338-S340 PolarHBondContact O-N 3Å
339	A	41.5	Very low	43	Very low	94 Å²	94	142.3 Å²	142.3	78%	0.777	79%	0.792	S	S	*	*			trans	-69.6	123.1	160.4	0	0	0	0	0	108.8	S337 V341	S337-A339 PolarHBondContact O-N 3.3Å; A339-V341 PolarHBondContact O-N 2.86Å
340	S	38.9	Very low	42.3	Very low	120 Å²	120	136.1 Å²	136.1	84%	0.839	78%	0.783	S	S	*	*			trans	-77.9	115	-178.9	52.6	0	0	0	0	111.4	S338	S338-S340 PolarHBondContact O-N 3Å
341	V	46.4	Very low	41.4	Very low	127 Å²	127	134.2 Å²	134.2	77%	0.77	78%	0.782	S	S	*	*			trans	-111.1	134.8	167.1	-179.3	0	0	0	0	108.3	A339	A339-V341 PolarHBondContact O-N 2.86Å
342	P	42.9	Very low	40.5	Very low	121 Å²	121	134 Å²	134	79%	0.786	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-63.8	145.8	-179.5	-21.4	33.5	0	0	0	112.8
343	K	37.3	Very low	40.1	Very low	197 Å²	197	135.1 Å²	135.1	86%	0.857	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-97.4	121.6	-172.7	-172.5	-178.4	-176.2	-177.7	0	111.1
344	P	39.6	Very low	39.3	Very low	114 Å²	114	135 Å²	135	74%	0.74	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-69.1	153	166.7	-17.1	31.9	0	0	0	111.8
345	A	49.5	Very low	39	Very low	93 Å²	93	137.2 Å²	137.2	77%	0.769	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-70.8	147.4	-179.4	0	0	0	0	0	112.6
346	P	40	Very low	38.6	Very low	119 Å²	119	136.6 Å²	136.6	77%	0.773	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-79.2	135.2	179.9	31.8	-33.7	0	0	0	112.3
347	Q	42.5	Very low	38.1	Very low	158 Å²	158	132.1 Å²	132.1	74%	0.738	79%	0.793	S	S	*	*			trans	-106.5	140.9	164.4	-76.9	-70.2	-11	0	0	109.4
348	P	40.2	Very low	38	Very low	104 Å²	104	133.8 Å²	133.8	68%	0.675	79%	0.791	S	S	*	*			trans	-94.7	124	-175.6	34.4	-30.5	0	0	0	112.6
349	Y	34.7	Very low	37.7	Very low	208 Å²	208	136 Å²	136	82%	0.816	80%	0.795	S	S	*	*			trans	-138.3	141.3	159.3	-67.7	-72.1	0	0	0	110.5
350	P	36.2	Very low	37.4	Very low	110 Å²	110	140.7 Å²	140.7	71%	0.714	79%	0.794	S	S	*	*			trans	-90.2	151.4	-169.5	35.6	-35.1	0	0	0	112.6
351	F	31.4	Very low	37.1	Very low	208 Å²	208	142.2 Å²	142.2	91%	0.912	79%	0.792	S	S	*	*			trans	-131.3	140.6	153.2	-108.7	-87.9	0	0	0	109.9
352	T	33.8	Very low	36.4	Very low	132 Å²	132	145.1 Å²	145.1	81%	0.81	80%	0.797	S	S	*	*			trans	-83.8	144.2	-170.2	43.3	0	0	0	0	112
353	S	35.1	Very low	35.9	Very low	120 Å²	120	148 Å²	148	84%	0.839	80%	0.798	S	S	*	*			trans	-107.4	140	171.9	-71	0	0	0	0	111.6
354	S	33.1	Very low	35.9	Very low	117 Å²	117	144.9 Å²	144.9	82%	0.818	80%	0.798	S	S	*	*			trans	-42.5	133.9	178.3	48.3	0	0	0	0	117.5
355	L	33.9	Very low	35.5	Very low	164 Å²	164	144.5 Å²	144.5	86%	0.859	79%	0.793	S	S	*	*			trans	-65.6	156.8	149.2	-63.1	170.3	0	0	0	109.8
356	S	35.5	Very low	34.6	Very low	105 Å²	105	149.2 Å²	149.2	73%	0.734	80%	0.802	S	S	*	*			cis	-162.3	148.1	-4.6	31.9	0	0	0	0	109.8
357	T	31.7	Very low	34.2	Very low	140 Å²	140	147.8 Å²	147.8	86%	0.859	79%	0.791	S	S	*	*			trans	-101.5	137	163.4	-63.3	0	0	0	0	108.7
358	I	36.1	Very low	33.6	Very low	146 Å²	146	149.2 Å²	149.2	75%	0.749	80%	0.795	S	S	*	*			trans	-72	139.5	179.3	-60.7	168.6	0	0	0	109.6
359	N	31.5	Very low	33.5	Very low	160 Å²	160	150 Å²	150	86%	0.856	80%	0.8	S	S	*	*			trans	-133.5	149.2	162	-156.1	23.7	0	0	0	110.1
360	Y	34.4	Very low	33.5	Very low	192 Å²	192	146.3 Å²	146.3	75%	0.753	80%	0.804	S	S	*	*			trans	-100.1	173.4	-174.7	-109.4	-101.4	0	0	0	112.2
361	D	33	Very low	33.3	Very low	151 Å²	151	145 Å²	145	81%	0.807	81%	0.811	S	S	*	*			trans	69.9	126.6	180	-56.8	-55.1	0	0	0	114.5
362	E	31.7	Very low	33.2	Very low	188 Å²	188	143.5 Å²	143.5	88%	0.879	81%	0.807	S	S	*	*			cis	-145.1	159.3	45.5	-87.5	174.1	90.6	0	0	114
363	F	32.4	Very low	33.1	Very low	183 Å²	183	143.8 Å²	143.8	80%	0.803	80%	0.802	S	S	*	*			trans	-90.1	158.6	164.6	-92.2	-88.8	0	0	0	111.1
364	P	37.9	Very low	32.9	Very low	131 Å²	131	142.8 Å²	142.8	85%	0.851	80%	0.795	S	S	*	*				-138.4	153.9	104.9	30.1	-14.2	0	0	0	115.9
365	T	31.3	Very low	32.7	Very low	106 Å²	106	146 Å²	146	65%	0.65	80%	0.797	S	S	*	*			trans	-77.9	143.8	-177.4	-56.7	0	0	0	0	114	V367	T365-V367 HydrophobicContact CG2-CG2 3.59Å
366	M	30.7	Very low	32.6	Very low	191 Å²	191	142.4 Å²	142.4	94%	0.941	79%	0.791	S	S	*	*			trans	-142.1	151.7	152.4	-91.2	-65.8	-169.1	0	0	109.4
367	V	30.9	Very low	32.4	Very low	90 Å²	90	143 Å²	143	55%	0.545	80%	0.796	S	S	.	*			trans	-137.9	152.1	-157	-147.7	0	0	0	0	114	T365	T365-V367 HydrophobicContact CG2-CG2 3.59Å
368	F	29.8	Very low	32.3	Very low	187 Å²	187	140.7 Å²	140.7	82%	0.82	79%	0.79	S	S	*	*			trans	74	160.9	159.4	-60.5	-57.3	0	0	0	119.2
369	P	38.8	Very low	32.1	Very low	121 Å²	121	142.2 Å²	142.2	79%	0.786	80%	0.799	S	S	*	*			cis	-130.4	180	-18.6	23.5	-0.1	0	0	0	114.7
370	S	34.4	Very low	32.1	Very low	130 Å²	130	139 Å²	139	91%	0.909	79%	0.794	S	S	*	*			trans	-80.2	152.7	178.1	-46.7	0	0	0	0	114.8
371	G	31	Very low	32.5	Very low	82 Å²	82	135.8 Å²	135.8	85%	0.845	80%	0.797	S	S	*	*			trans	-170.7	114.1	172.8	0	0	0	0	0	116.9
372	Q	31	Very low	32.6	Very low	177 Å²	177	132.7 Å²	132.7	83%	0.827	79%	0.793	S	S	*	*			trans	-33.6	154.6	170.9	-88.8	176.1	-39	0	0	123.7
373	I	31.3	Very low	33.3	Very low	138 Å²	138	129.6 Å²	129.6	71%	0.708	79%	0.789	S	S	*	*			trans	92.8	118.7	133.6	-74.8	165.6	0	0	0	123
374	S	29.3	Very low	34	Very low	100 Å²	100	126 Å²	126	70%	0.699	78%	0.784	S	S	*	*			trans	65.9	137	139.4	-68.9	0	0	0	0	127.9
375	Q	30.2	Very low	33.8	Very low	183 Å²	183	128.4 Å²	128.4	86%	0.855	78%	0.784	S	S	*	*			trans	77.2	114.9	138.4	-76.2	-177.2	7	0	0	124.3
376	A	30.5	Very low	33.8	Very low	90 Å²	90	128.7 Å²	128.7	74%	0.744	79%	0.785	S	S	*	*				71.3	130.9	123.1	0	0	0	0	0	124.7
377	S	31.4	Very low	33.8	Very low	118 Å²	118	127.1 Å²	127.1	83%	0.825	78%	0.78	S	S	*	*			trans	77.5	103.4	141.3	-66.4	0	0	0	0	123.7
378	A	30.9	Very low	34.4	Very low	90 Å²	90	127.6 Å²	127.6	74%	0.744	79%	0.785	S	S	*	*				89.2	156.4	112.6	0	0	0	0	0	123.3
379	L	31.5	Very low	34.4	Very low	178 Å²	178	127.9 Å²	127.9	93%	0.932	79%	0.789	S	S	*	*			trans	81.5	142.8	174.5	-83.1	85.8	0	0	0	120.7
380	A	31	Very low	34	Very low	92 Å²	92	126.3 Å²	126.3	76%	0.76	79%	0.786	S	S	*	*			trans	-96.1	-167.1	179.1	0	0	0	0	0	110.1
381	P	44.1	Very low	34.2	Very low	125 Å²	125	126.2 Å²	126.2	81%	0.812	78%	0.783	S	S	*	*			cis	-139.2	-175.3	21	40	-17.6	0	0	0	117.3
382	A	35.1	Very low	34.4	Very low	87 Å²	87	126.6 Å²	126.6	72%	0.719	78%	0.778	S	S	*	*			trans	-77.6	171.2	170.7	0	0	0	0	0	112.2
383	P	46.7	Very low	34.7	Very low	122 Å²	122	124.8 Å²	124.8	79%	0.792	78%	0.781	S	S	*	*				-150.7	-140.1	72.6	34.9	-7.6	0	0	0	114.2
384	P	46.8	Very low	34.9	Very low	107 Å²	107	122.9 Å²	122.9	70%	0.695	79%	0.786	S	S	*	*				-134.3	162.9	-81.7	40.2	-23.5	0	0	0	119.4
385	Q	33	Very low	36.1	Very low	182 Å²	182	124.2 Å²	124.2	85%	0.85	79%	0.792	S	S	*	*			trans	67.7	157.3	139.4	-65.6	-96.8	-22.7	0	0	123.7
386	V	31	Very low	36.3	Very low	113 Å²	113	120 Å²	120	69%	0.685	79%	0.789	S	S	*	*				135.4	108.2	129.7	178.2	0	0	0	0	119
387	L	30.7	Very low	37.1	Very low	157 Å²	157	122 Å²	122	82%	0.822	79%	0.794	S	S	*	*			trans	60.1	175.9	143.3	-65.7	173.3	0	0	0	122.8
388	P	42.8	Very low	37.2	Very low	101 Å²	101	121 Å²	121	66%	0.656	79%	0.793	S	S	*	*			cis	-139.4	174	-50	39.7	-23.3	0	0	0	117.5
389	Q	30.1	Very low	37.3	Very low	192 Å²	192	125.9 Å²	125.9	90%	0.897	80%	0.803	S	S	*	*			trans	23.3	157.3	141.3	-56.3	177.4	-24.5	0	0	122.3
390	A	31.3	Very low	37.5	Very low	88 Å²	88	123.8 Å²	123.8	73%	0.727	80%	0.797	S	S	*	*			cis	-162.9	-150.5	19.2	0	0	0	0	0	109.6
391	P	37.9	Very low	37.8	Very low	129 Å²	129	124.4 Å²	124.4	84%	0.838	80%	0.796	S	S	*	*				-124.8	-171.6	-51.3	35.5	-16.7	0	0	0	113.7
392	A	35.8	Very low	37.3	Very low	90 Å²	90	122.7 Å²	122.7	74%	0.744	79%	0.792	S	S	*	*			trans	-104.9	175.8	-179	0	0	0	0	0	115.1
393	P	38.1	Very low	37.4	Very low	139 Å²	139	125.4 Å²	125.4	90%	0.903	79%	0.794	S	S	*	*			trans	-138.7	179.9	134.2	36.3	-20.9	0	0	0	115.7
394	A	35.7	Very low	36.7	Very low	97 Å²	97	123.7 Å²	123.7	80%	0.802	79%	0.79	S	S	*	*			trans	-106.6	173.5	-156.4	0	0	0	0	0	116.8
395	P	53.1	Low	36.1	Very low	129 Å²	129	126.4 Å²	126.4	84%	0.838	79%	0.793	S	S	*	*			trans	-113.2	176.6	-172.4	41.9	-32.7	0	0	0	116
396	A	35.3	Very low	36.2	Very low	94 Å²	94	128.6 Å²	128.6	78%	0.777	79%	0.794	S	S	*	*			trans	-151.7	170.4	171.5	0	0	0	0	0	110.4
397	P	47.1	Very low	37	Very low	133 Å²	133	128.2 Å²	128.2	86%	0.864	79%	0.793	S	S	*	*				-124.1	-179.8	-114.8	31.1	-10.2	0	0	0	116.5
398	A	34.3	Very low	38.6	Very low	97 Å²	97	125.7 Å²	125.7	80%	0.802	79%	0.787	S	S	*	*			trans	-100.6	169.6	-176.2	0	0	0	0	0	114.6
399	M	32.3	Very low	38.4	Very low	191 Å²	191	128 Å²	128	94%	0.941	79%	0.793	S	S	*	*			trans	-128.8	143.6	168	-79.3	-160.9	173.7	0	0	113.9
400	V	35.7	Very low	39.7	Very low	135 Å²	135	125 Å²	125	82%	0.818	79%	0.79	S	S	*	*			trans	-73.9	172.4	171.7	-84.8	0	0	0	0	112.5
401	S	36.1	Very low	40	Very low	104 Å²	104	125.2 Å²	125.2	73%	0.727	79%	0.793	S	S	*	*			cis	-171.2	-176	-3.7	-108.4	0	0	0	0	110.3
402	A	35.4	Very low	40.6	Very low	90 Å²	90	125.5 Å²	125.5	74%	0.744	80%	0.795	S	S	*	*			trans	105.3	143.5	135.5	0	0	0	0	0	119.6
403	L	35.8	Very low	40.8	Very low	143 Å²	143	125.7 Å²	125.7	75%	0.749	80%	0.796	S	S	*	*			cis	-170.5	179.7	-19.7	-135.1	119.8	0	0	0	112.9	Q405	L403-Q405 HydrophobicContact CD2-CG 4.39Å
404	A	32.2	Very low	42.1	Very low	86 Å²	86	124.5 Å²	124.5	71%	0.711	79%	0.788	S	S	*	*			trans	101.8	114.9	161	0	0	0	0	0	117.3
405	Q	34.6	Very low	42.1	Very low	164 Å²	164	128.4 Å²	128.4	77%	0.766	80%	0.795	S	S	*	*			cis	83.9	135.7	44.7	-63.7	-175.2	1.7	0	0	113.7	L403	L403-Q405 HydrophobicContact CD2-CG 4.39Å
406	R	34.3	Very low	41	Very low	229 Å²	229	125.6 Å²	125.6	86%	0.864	79%	0.789	S	S	*	*			cis	-162.6	-167.3	46.1	-129.7	-157.9	146.1	175.7	-5.5	112.9
407	P	48	Very low	40.9	Very low	104 Å²	104	125.9 Å²	125.9	68%	0.675	79%	0.792	S	S	*	*			trans	-132.8	-136.4	-135	40.9	-12.5	0	0	0	117.7
408	P	65.1	Low	41.1	Very low	105 Å²	105	126 Å²	126	68%	0.682	79%	0.792	S	S	*	*				-136.2	-155.9	-117.2	45.1	-21.9	0	0	0	118.9
409	D	38.4	Very low	40.9	Very low	148 Å²	148	125.2 Å²	125.2	79%	0.791	79%	0.794	S	S	*	*			trans	87.2	159.5	159.6	-71.7	-8.8	0	0	0	121.9
410	P	57.5	Low	40.9	Very low	129 Å²	129	124.3 Å²	124.3	84%	0.838	79%	0.792	S	S	*	*			cis	-138	-162.3	-25	36.1	-14.5	0	0	0	115.1
411	A	36.6	Very low	41.7	Very low	94 Å²	94	123 Å²	123	78%	0.777	79%	0.786	S	S	*	*			trans	-132.3	171.6	-177.8	0	0	0	0	0	115.3
412	P	51.9	Low	41.6	Very low	135 Å²	135	125.1 Å²	125.1	88%	0.877	79%	0.789	S	S	*	*			trans	-139.8	169.5	158.4	39	-23	0	0	0	117.2
413	A	39.3	Very low	41.3	Very low	93 Å²	93	123.9 Å²	123.9	77%	0.769	79%	0.785	S	S	*	*			trans	-137	-160.5	173.8	0	0	0	0	0	108.8
414	P	65.2	Low	41.1	Very low	115 Å²	115	124.4 Å²	124.4	75%	0.747	79%	0.788	S	S	*	*			cis	-140.9	-173.2	-7.6	43.9	-25.3	0	0	0	115.8
415	L	35.2	Very low	41.2	Very low	179 Å²	179	127.6 Å²	127.6	94%	0.937	79%	0.792	S	S	*	*			trans	169.3	158.4	145.5	-91.6	156.9	0	0	0	108.5
416	G	29.7	Very low	41	Very low	69 Å²	69	124.9 Å²	124.9	71%	0.711	79%	0.792	S	S	*	*			cis	-170.8	-173.1	-2.4	0	0	0	0	0	111.3
417	A	33.8	Very low	40.9	Very low	101 Å²	101	117.7 Å²	117.7	84%	0.835	79%	0.789	S	S	*	*			trans	-148.6	-176	177.1	0	0	0	0	0	109.8
418	P	52.4	Low	40.1	Very low	134 Å²	134	120.3 Å²	120.3	87%	0.87	80%	0.797	S	S	*	*			cis	-145.8	-176.8	30.3	43.1	-21.8	0	0	0	118.1
419	G	29.7	Very low	38.7	Very low	81 Å²	81	124.6 Å²	124.6	84%	0.835	81%	0.808	S	S	*	*			trans	152.5	92.2	158.3	0	0	0	0	0	118.9
420	L	32.2	Very low	38.4	Very low	172 Å²	172	124.3 Å²	124.3	90%	0.901	81%	0.806	S	S	*	*			trans	-113	-179.1	166.6	-90.6	166.6	0	0	0	109.1
421	P	53.3	Low	37	Very low	107 Å²	107	128.7 Å²	128.7	70%	0.695	81%	0.812	S	S	*	*			cis	-130.1	-162.5	11.1	37.8	-14	0	0	0	112.9
422	N	33.1	Very low	36.7	Very low	150 Å²	150	129.1 Å²	129.1	80%	0.802	81%	0.81	S	S	*	*			cis	-167.7	162.8	23.5	-150.3	3.4	0	0	0	113.4
423	G	29.2	Very low	35.8	Very low	64 Å²	64	127.9 Å²	127.9	66%	0.66	80%	0.804	S	S	*	*			trans	111.3	80.6	159.2	0	0	0	0	0	117.7
424	L	32.1	Very low	35.4	Very low	153 Å²	153	131.4 Å²	131.4	80%	0.801	81%	0.809	S	S	*	*				61.2	106	87.9	-88.8	157	0	0	0	117.4
425	L	33.1	Very low	33.8	Very low	153 Å²	153	129.4 Å²	129.4	80%	0.801	80%	0.802	S	S	*	*				-178.3	122.2	104.3	-97.2	169.2	0	0	0	114.8
426	S	31.1	Very low	33.8	Very low	108 Å²	108	128.4 Å²	128.4	76%	0.755	80%	0.797	S	S	*	*			trans	42.4	127.4	143.5	61.3	0	0	0	0	122.9
427	G	32.2	Very low	34	Very low	78 Å²	78	133.7 Å²	133.7	80%	0.804	81%	0.805	S	S	*	*			trans	169.6	69.8	162.4	0	0	0	0	0	113.5
428	D	31.9	Very low	34.1	Very low	159 Å²	159	134.8 Å²	134.8	85%	0.85	80%	0.798	S	S	*	*			trans	-75.7	143.3	175.7	-57.5	-62.4	0	0	0	112
429	E	35.8	Very low	33.3	Very low	194 Å²	194	138.5 Å²	138.5	91%	0.907	80%	0.8	S	S	*	*				-174	151.1	121.4	-101.6	-177.4	172.8	0	0	111.5
430	D	31	Very low	33.5	Very low	142 Å²	142	139.2 Å²	139.2	76%	0.759	79%	0.793	S	S	*	*			trans	-78.7	150	-157.4	-69.8	-71.7	0	0	0	116.9
431	F	28.4	Very low	33.9	Very low	221 Å²	221	135.4 Å²	135.4	97%	0.969	79%	0.786	S	S	*	*			trans	-143.7	98	148.9	-122.7	-84.1	0	0	0	110.9
432	S	30.5	Very low	33.2	Very low	104 Å²	104	138 Å²	138	73%	0.727	79%	0.793	S	S	*	*			trans	-112.5	114.1	171.4	53.2	0	0	0	0	111.4
433	S	32.5	Very low	33.5	Very low	108 Å²	108	139.2 Å²	139.2	76%	0.755	80%	0.799	S	S	*	*			trans	35.3	116	144.2	175.5	0	0	0	0	119.3
434	I	30.8	Very low	33.9	Very low	168 Å²	168	141.4 Å²	141.4	86%	0.862	80%	0.804	S	S	*	*				-145.6	133.2	111.5	-131.5	163	0	0	0	111.9
435	A	33	Very low	34.4	Very low	72 Å²	72	143.4 Å²	143.4	60%	0.595	81%	0.809	S	S	*	*			trans	-100.6	176.3	163.6	0	0	0	0	0	109.1
436	D	33.5	Very low	35	Very low	158 Å²	158	144.3 Å²	144.3	85%	0.845	81%	0.813	S	S	*	*			trans	74.2	103.1	177.8	-57.4	-36.1	0	0	0	117.4
437	M	34.3	Very low	35.3	Very low	180 Å²	180	144.7 Å²	144.7	89%	0.887	82%	0.815	S	S	*	*				-153.2	111.9	123.4	-99.6	-163.7	96	0	0	112.2
438	D	36.1	Very low	35.5	Very low	125 Å²	125	150.7 Å²	150.7	67%	0.668	85%	0.845	S	S	*	*			trans	43.9	109.9	151.9	-82.6	-59.1	0	0	0	123.7	S440	D438-S440 VanDerWaalsContact C-N 3.33Å; D438-S440 PolarHBondContact O-N 3.21Å
439	F	34.8	Very low	35.6	Very low	212 Å²	212	150.3 Å²	150.3	93%	0.93	85%	0.845	S	S	*	*	S	Bend	trans	-87.4	50.7	168.1	-165.3	-99.2	0	0	0	112.3
440	S	35.7	Very low	35.6	Very low	96 Å²	96	148 Å²	148	67%	0.671	84%	0.842	S	S	*	*			trans	-112.5	-5.8	-179.2	67.8	0	0	0	0	115.2	D438	D438-S440 VanDerWaalsContact C-N 3.33Å; D438-S440 PolarHBondContact O-N 3.21Å
441	A	40.3	Very low	35.9	Very low	91 Å²	91	148.3 Å²	148.3	75%	0.752	85%	0.846	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.7	15.6	-169.6	0	0	0	0	0	116.5
442	L	38.1	Very low	36.3	Very low	161 Å²	161	144.1 Å²	144.1	84%	0.843	84%	0.839	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.8	23.6	-176.1	-147.2	78.9	0	0	0	115.7
443	L	38.6	Very low	36.7	Very low	177 Å²	177	146.6 Å²	146.6	93%	0.927	85%	0.846	S	S	*	*	S	Bend	trans	-131.5	47.9	176.1	-82.1	174.4	0	0	0	113.5
444	S	39.3	Very low	37	Very low	110 Å²	110	149.1 Å²	149.1	77%	0.769	85%	0.852	S	S	*	*			trans	-144.4	28.4	171.7	63.1	0	0	0	0	115.5
445	Q	40.9	Very low	37.4	Very low	194 Å²	194	147.8 Å²	147.8	91%	0.907	85%	0.851	S	S	*	*	S	Bend	trans	-116.7	34.5	169.2	-76.7	-164.1	-8.4	0	0	113.8
446	I	45.3	Very low	37.7	Very low	173 Å²	173	153.6 Å²	153.6	89%	0.887	87%	0.871	S	S	*	*	S	Bend	trans	-140	72	165.8	-47.4	178.3	0	0	0	109.9
447	S	38.2	Very low	38.1	Very low	115 Å²	115	153.3 Å²	153.3	80%	0.804	87%	0.873	S	S	*	*			trans	-169.7	76.3	155.1	-178.1	0	0	0	0	111.9
448	S	35.7	Very low	38.4	Very low	205 Å²	205	150.8 Å²	150.8	100%	1.434	87%	0.872	S	S	*	*			trans	-158.4	0	149.7	-73.6	0	0	0	0	108

Retrieved 448 of 448 residues in 182.2 ms (Link to these results)

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