A0A3Q0KCQ9_SCHMA Loading...

B box-type domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KCQ9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 221 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

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	85.7	Confident	91.9	Very high	177 Å²	177	83.7 Å²	83.7	87%	0.872	42%	0.422	S	S	*	.				0	141.7	0	-77.1	-161.1	-168	0	0	109	F10	M1-F10 HydrophobicContact CB-CD2 3.78Å; M1-F10 HydrophobicContact CB-CE2 4.07Å; M1-F10 WeakPolarHBondContact O-CD2 3.21Å; M1-F10 PolarHBondContact O-N 3.45Å
2	L	90.8	Very high	91.7	Very high	79 Å²	79	85.8 Å²	85.8	41%	0.414	45%	0.45	S	S	.	.	B	Isolated β-bridge	trans	-113.8	157.5	-176.5	-55	-176.7	0	0	0	112.1	E9 F10	L2-E9 HydrophobicContact CD2-CB 3.98Å; L2-E9 HydrophobicContact CD2-CG 3.12Å; L2-F10 VanDerWaalsContact C-CE2 3.41Å; L2-F10 VanDerWaalsContact O-CE2 3.32Å; L2-F10 WeakPolarHBondContact O-CE2 3.14Å
3	C	94	Very high	91.5	Very high	0 Å²	0	86.8 Å²	86.8	0%	0	47%	0.469	C	S	.	.			trans	-64	130.7	167.5	176.5	0	0	0	0	111.7	L5 R7 V8 F10 Q26 C27	C3-L5 VanDerWaalsContact C-N 3.26Å; C3-L5 PolarHBondContact O-N 3.48Å; C3-R7 WeakPolarHBondContact O-CA 3.47Å; C3-R7 WeakPolarHBondContact O-CD 3.28Å; C3-R7 PolarHBondContact O-N 2.91Å; C3-V8 PolarHBondContact N-O 3.18Å; C3-F10 HydrophobicContact CB-CE1 4.14Å; C3-F10 HydrophobicContact CB-CZ 4.17Å; C3-Q26 WeakPolarHBondContact SG-CA 3.23Å; C3-C27 HydrophobicContact CB-CB 4.01Å; C3-C27 PolarHBondContact SG-N 3.1Å
4	E	92.2	Very high	91.5	Very high	100 Å²	100	82.9 Å²	82.9	47%	0.467	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-27	-178.8	-164.3	168.7	168.6	0	0	114.3	R7 S24 V25 Q26	E4-R7 PolarHBondContact O-NE 2.98Å; E4-R7 VanDerWaalsContact O-NE 3.08Å; E4-R7 PolarHBondContact O-NH2 3.29Å; E4-S24 VanDerWaalsContact OE2-CA 3.23Å; E4-S24 WeakPolarHBondContact OE2-CA 3.41Å; E4-S24 WeakPolarHBondContact OE2-CB 3.49Å; E4-V25 WeakPolarHBondContact CB-O 3.37Å; E4-V25 PolarHBondContact N-O 3.41Å; E4-V25 PolarHBondContact OE2-N 3.5Å; E4-Q26 HydrophobicContact CB-CG 4.1Å
5	L	91.2	Very high	91.5	Very high	78 Å²	78	87.2 Å²	87.2	41%	0.408	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-62.8	-179.6	-169.9	65.9	0	0	0	113.2	C3 Q26 C30	C3-L5 VanDerWaalsContact C-N 3.26Å; C3-L5 PolarHBondContact O-N 3.48Å; L5-Q26 HydrophobicContact CB-CG 4.47Å; L5-C30 HydrophobicContact CB-CB 3.97Å; L5-C30 HydrophobicContact CD2-CB 3.77Å; L5-C30 HydrophobicContact CG-CB 4.41Å
6	C	94.3	Very high	91.6	Very high	55 Å²	55	90.8 Å²	90.8	37%	0.372	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-3.9	-176.7	69.7	0	0	0	0	114.7	V8 C27 C30	C6-V8 HydrophobicContact CB-CG2 4.45Å; C6-V8 PolarHBondContact O-N 3.46Å; C6-V8 VanDerWaalsContact SG-CG2 3.58Å; C6-C27 PolarHBondContact SG-SG 3.15Å; C6-C30 WeakPolarHBondContact CB-SG 3.21Å; C6-C30 PolarHBondContact SG-SG 3.26Å
7	R	91.2	Very high	91.8	Very high	130 Å²	130	91.1 Å²	91.1	49%	0.491	47%	0.468	S	S	.	.			trans	61.8	13	177	-52.6	-69.8	164.3	166.4	-4.8	115.8	C3 E4	C3-R7 WeakPolarHBondContact O-CA 3.47Å; C3-R7 WeakPolarHBondContact O-CD 3.28Å; C3-R7 PolarHBondContact O-N 2.91Å; E4-R7 PolarHBondContact O-NE 2.98Å; E4-R7 VanDerWaalsContact O-NE 3.08Å; E4-R7 PolarHBondContact O-NH2 3.29Å
8	V	91.9	Very high	91.9	Very high	57 Å²	57	89.4 Å²	89.4	35%	0.345	47%	0.465	S	S	.	.	P	Polyproline II helix	trans	-66.2	137.7	172.6	172.1	0	0	0	0	110.9	C3 C6 N14	C3-V8 PolarHBondContact N-O 3.18Å; C6-V8 HydrophobicContact CB-CG2 4.45Å; C6-V8 PolarHBondContact O-N 3.46Å; C6-V8 VanDerWaalsContact SG-CG2 3.58Å; V8-N14 HydrophobicContact CG1-CB 4.5Å; V8-N14 WeakPolarHBondContact CG1-ND2 3.26Å
9	E	92.9	Very high	92.1	Very high	145 Å²	145	84.8 Å²	84.8	68%	0.678	44%	0.442	S	S	*	.	B	Isolated β-bridge	trans	-63.7	136.7	172	-79.5	-178.7	-175.8	0	0	112.1	L2 S11	L2-E9 HydrophobicContact CD2-CB 3.98Å; L2-E9 HydrophobicContact CD2-CG 3.12Å; E9-S11 PolarHBondContact O-N 3.04Å
10	F	95.3	Very high	92.1	Very high	41 Å²	41	87.3 Å²	87.3	18%	0.18	45%	0.448	C	S	.	.	P	Polyproline II helix	trans	-74.9	125.1	172.6	-58.4	-55.3	0	0	0	110.3	M1 L2 C3 N14 K16 V25 C27	M1-F10 HydrophobicContact CB-CD2 3.78Å; M1-F10 HydrophobicContact CB-CE2 4.07Å; M1-F10 WeakPolarHBondContact O-CD2 3.21Å; M1-F10 PolarHBondContact O-N 3.45Å; L2-F10 VanDerWaalsContact C-CE2 3.41Å; L2-F10 VanDerWaalsContact O-CE2 3.32Å; L2-F10 WeakPolarHBondContact O-CE2 3.14Å; C3-F10 HydrophobicContact CB-CE1 4.14Å; C3-F10 HydrophobicContact CB-CZ 4.17Å; F10-N14 WeakPolarHBondContact CA-O 3.26Å; F10-N14 WeakPolarHBondContact CB-O 3.3Å; F10-N14 WeakPolarHBondContact CD1-O 3.14Å; F10-K16 HydrophobicContact CB-CB 4.46Å; F10-K16 HydrophobicContact CD1-CB 3.88Å; F10-K16 HydrophobicContact CD2-CB 3.71Å; F10-K16 HydrophobicContact CE1-CB 3.98Å; F10-K16 HydrophobicContact CE2-CB 3.82Å; F10-K16 HydrophobicContact CG-CB 3.75Å; F10-K16 HydrophobicContact CZ-CB 3.95Å; F10-V25 HydrophobicContact CE2-CG1 3.7Å; F10-V25 HydrophobicContact CZ-CG1 3.7Å; F10-C27 HydrophobicContact CE1-CB 4.08Å
11	S	91	Very high	92	Very high	59 Å²	59	86.2 Å²	86.2	41%	0.413	44%	0.443	S	S	.	.			trans	-127.6	178.3	175.1	66	0	0	0	0	109.5	E9 S13 N14	E9-S11 PolarHBondContact O-N 3.04Å; S11-S13 PolarHBondContact O-N 3.37Å; S11-N14 PolarHBondContact N-O 2.83Å; S11-N14 CarbonylContact O-C 3.55Å; S11-N14 PolarHBondContact O-N 3.11Å; S11-N14 VanDerWaalsContact O-N 3.13Å; S11-N14 PolarHBondContact OG-N 3.38Å
12	S	89.5	Confident	92.4	Very high	108 Å²	108	80.5 Å²	80.5	76%	0.755	42%	0.419	S	S	*	.	S	Bend	trans	-52.6	-35.3	173.2	49.3	0	0	0	0	112.6
13	S	89.7	Confident	92.4	Very high	100 Å²	100	78.6 Å²	78.6	70%	0.699	42%	0.419	S	S	*	.	S	Bend	trans	-80.8	-38	175.9	-53.5	0	0	0	0	113.3	S11	S11-S13 PolarHBondContact O-N 3.37Å
14	N	90.9	Very high	92.4	Very high	31 Å²	31	79 Å²	79	17%	0.166	42%	0.421	C	S	.	.	S	Bend	trans	-103	76.9	178	-75.2	-39.3	0	0	0	110.8	V8 F10 S11	V8-N14 HydrophobicContact CG1-CB 4.5Å; V8-N14 WeakPolarHBondContact CG1-ND2 3.26Å; F10-N14 WeakPolarHBondContact CA-O 3.26Å; F10-N14 WeakPolarHBondContact CB-O 3.3Å; F10-N14 WeakPolarHBondContact CD1-O 3.14Å; S11-N14 PolarHBondContact N-O 2.83Å; S11-N14 CarbonylContact O-C 3.55Å; S11-N14 PolarHBondContact O-N 3.11Å; S11-N14 VanDerWaalsContact O-N 3.13Å; S11-N14 PolarHBondContact OG-N 3.38Å
15	K	92	Very high	92.6	Very high	148 Å²	148	76.6 Å²	76.6	64%	0.643	41%	0.413	S	S	*	.			trans	-65.5	138.5	-179.9	-61.8	-177.4	-178.8	179.8	0	111.9
16	K	93.6	Very high	92.8	Very high	145 Å²	145	73 Å²	73	63%	0.63	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.1	134.7	171.6	64.4	-178	180	-179.9	0	111.1	F10 V25	F10-K16 HydrophobicContact CB-CB 4.46Å; F10-K16 HydrophobicContact CD1-CB 3.88Å; F10-K16 HydrophobicContact CD2-CB 3.71Å; F10-K16 HydrophobicContact CE1-CB 3.98Å; F10-K16 HydrophobicContact CE2-CB 3.82Å; F10-K16 HydrophobicContact CG-CB 3.75Å; F10-K16 HydrophobicContact CZ-CB 3.95Å; K16-V25 HydrophobicContact CB-CG1 4.09Å
17	K	93.8	Very high	92.8	Very high	96 Å²	96	70.5 Å²	70.5	42%	0.417	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	147.4	173	-60.1	-170.1	178.9	-177.3	0	109.6	V25 Q26 L31	K17-V25 CarbonylContact O-C 3.25Å; K17-V25 WeakPolarHBondContact O-CA 3.19Å; K17-Q26 PolarHBondContact N-O 2.98Å; K17-Q26 PolarHBondContact O-N 3.48Å; K17-L31 HydrophobicContact CB-CB 4.48Å; K17-L31 HydrophobicContact CB-CD2 3.53Å
18	S	94.4	Very high	92.9	Very high	60 Å²	60	66.5 Å²	66.5	42%	0.42	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	138.8	177.5	54.1	0	0	0	0	111.8	K20 S24 L31	S18-K20 PolarHBondContact O-N 3.27Å; S18-S24 CarbonylContact C-O 3.56Å; S18-S24 VanDerWaalsContact CA-O 3.28Å; S18-S24 WeakPolarHBondContact CA-O 3.49Å; S18-L31 VanDerWaalsContact C-CD2 3.42Å; S18-L31 WeakPolarHBondContact O-CD2 3.28Å
19	C	95	Very high	92.9	Very high	3 Å²	3	72.7 Å²	72.7	2%	0.02	39%	0.387	C	S	.	.			trans	-59.9	127.8	170.1	177.8	0	0	0	0	109.7	M21 C22 G23 S24 L31 C42	C19-M21 PolarHBondContact O-N 3.4Å; C19-M21 PolarHBondContact SG-N 3.07Å; C19-M21 VanDerWaalsContact SG-N 3.4Å; C19-C22 PolarHBondContact SG-N 3.25Å; C19-C22 VanDerWaalsContact SG-SG 3.61Å; C19-G23 WeakPolarHBondContact O-CA 3.35Å; C19-G23 PolarHBondContact O-N 3.48Å; C19-S24 VanDerWaalsContact CB-OG 3.23Å; C19-S24 WeakPolarHBondContact CB-OG 3.47Å; C19-S24 PolarHBondContact N-O 3.25Å; C19-L31 HydrophobicContact CB-CD1 3.89Å; C19-C42 HydrophobicContact CB-CB 4.11Å; C19-C42 PolarHBondContact SG-N 2.95Å
20	K	92.9	Very high	93	Very high	133 Å²	133	66.5 Å²	66.5	58%	0.578	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-12.4	177.9	-66.7	-65.3	-174	176.6	0	114	S18 F38 P40	S18-K20 PolarHBondContact O-N 3.27Å; K20-F38 HydrophobicContact CB-CB 4.31Å; K20-F38 HydrophobicContact CB-CD1 4.17Å; K20-P40 PolarHBondContact N-O 3.2Å
21	M	89.6	Confident	92.9	Very high	66 Å²	66	64.7 Å²	64.7	33%	0.325	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-62.1	178.4	-69.9	-64.9	-80.9	0	0	112.5	C19 F38 V41 C45	C19-M21 PolarHBondContact O-N 3.4Å; C19-M21 PolarHBondContact SG-N 3.07Å; C19-M21 VanDerWaalsContact SG-N 3.4Å; M21-F38 HydrophobicContact CE-CD2 4.15Å; M21-F38 HydrophobicContact CE-CE2 4.07Å; M21-F38 HydrophobicContact CG-CB 3.93Å; M21-F38 HydrophobicContact CG-CD1 4.31Å; M21-F38 HydrophobicContact CG-CD2 4.16Å; M21-F38 HydrophobicContact CG-CG 3.88Å; M21-F38 HydrophobicContact SD-CB 3.99Å; M21-F38 HydrophobicContact SD-CD1 3.55Å; M21-F38 VanDerWaalsContact SD-CD1 3.55Å; M21-F38 HydrophobicContact SD-CD2 3.14Å; M21-F38 WeakPolarHBondContact SD-CD2 3.22Å; M21-F38 HydrophobicContact SD-CE1 3.7Å; M21-F38 HydrophobicContact SD-CE2 3.3Å; M21-F38 WeakPolarHBondContact SD-CE2 3.32Å; M21-F38 HydrophobicContact SD-CG 3.26Å; M21-F38 WeakPolarHBondContact SD-CG 3.43Å; M21-F38 HydrophobicContact SD-CZ 3.57Å; M21-F38 VanDerWaalsContact SD-CZ 3.57Å; M21-V41 HydrophobicContact CB-CG1 4.29Å; M21-V41 HydrophobicContact CG-CB 4.5Å; M21-V41 HydrophobicContact CG-CG1 3.52Å; M21-C45 HydrophobicContact CB-CB 3.9Å; M21-C45 HydrophobicContact CG-CB 4.32Å
22	C	93.1	Very high	92.9	Very high	57 Å²	57	68.7 Å²	68.7	39%	0.385	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	-5.7	-174.9	67.9	0	0	0	0	114.9	C19 S24 C45	C19-C22 PolarHBondContact SG-N 3.25Å; C19-C22 VanDerWaalsContact SG-SG 3.61Å; C22-S24 VanDerWaalsContact C-N 3.27Å; C22-S24 PolarHBondContact O-N 2.94Å; C22-S24 VanDerWaalsContact SG-CB 3.6Å; C22-S24 PolarHBondContact SG-OG 2.95Å; C22-C45 VanDerWaalsContact CB-SG 3.59Å
23	G	92.2	Very high	93	Very high	39 Å²	39	65.6 Å²	65.6	40%	0.402	33%	0.334	S	S	.	.			trans	76.8	2.8	-177.7	0	0	0	0	0	115.7	C19 V25	C19-G23 WeakPolarHBondContact O-CA 3.35Å; C19-G23 PolarHBondContact O-N 3.48Å; G23-V25 PolarHBondContact O-N 2.84Å
24	S	94.4	Very high	93	Very high	7 Å²	7	67.6 Å²	67.6	5%	0.049	33%	0.331	C	S	.	.			trans	-54.8	135.9	178.3	57.2	0	0	0	0	112	E4 S18 C19 C22 Q26 C42	E4-S24 VanDerWaalsContact OE2-CA 3.23Å; E4-S24 WeakPolarHBondContact OE2-CA 3.41Å; E4-S24 WeakPolarHBondContact OE2-CB 3.49Å; S18-S24 CarbonylContact C-O 3.56Å; S18-S24 VanDerWaalsContact CA-O 3.28Å; S18-S24 WeakPolarHBondContact CA-O 3.49Å; C19-S24 VanDerWaalsContact CB-OG 3.23Å; C19-S24 WeakPolarHBondContact CB-OG 3.47Å; C19-S24 PolarHBondContact N-O 3.25Å; C22-S24 VanDerWaalsContact C-N 3.27Å; C22-S24 PolarHBondContact O-N 2.94Å; C22-S24 VanDerWaalsContact SG-CB 3.6Å; C22-S24 PolarHBondContact SG-OG 2.95Å; S24-Q26 PolarHBondContact OG-NE2 3.48Å; S24-C42 WeakPolarHBondContact OG-CB 3.02Å
25	V	95.1	Very high	92.9	Very high	50 Å²	50	66.7 Å²	66.7	30%	0.303	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	112.8	-174.9	-175.4	0	0	0	0	109.3	E4 F10 K16 K17 G23	E4-V25 WeakPolarHBondContact CB-O 3.37Å; E4-V25 PolarHBondContact N-O 3.41Å; E4-V25 PolarHBondContact OE2-N 3.5Å; F10-V25 HydrophobicContact CE2-CG1 3.7Å; F10-V25 HydrophobicContact CZ-CG1 3.7Å; K16-V25 HydrophobicContact CB-CG1 4.09Å; K17-V25 CarbonylContact O-C 3.25Å; K17-V25 WeakPolarHBondContact O-CA 3.19Å; G23-V25 PolarHBondContact O-N 2.84Å
26	Q	95.8	Very high	92.5	Very high	4 Å²	4	66.9 Å²	66.9	2%	0.019	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	159.6	-173.9	-62.9	-172.8	23.1	0	0	111.4	C3 E4 L5 K17 S24 C30 L31	C3-Q26 WeakPolarHBondContact SG-CA 3.23Å; E4-Q26 HydrophobicContact CB-CG 4.1Å; L5-Q26 HydrophobicContact CB-CG 4.47Å; K17-Q26 PolarHBondContact N-O 2.98Å; K17-Q26 PolarHBondContact O-N 3.48Å; S24-Q26 PolarHBondContact OG-NE2 3.48Å; Q26-C30 HydrophobicContact CB-CB 4.03Å; Q26-L31 HydrophobicContact CB-CB 4Å; Q26-L31 HydrophobicContact CB-CD1 4.18Å; Q26-L31 HydrophobicContact CG-CD1 4.46Å
27	C	95.4	Very high	91.9	Very high	2 Å²	2	67.6 Å²	67.6	1%	0.014	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	164.5	174.6	74.1	0	0	0	0	110.8	C3 C6 F10 R29 C30 L31	C3-C27 HydrophobicContact CB-CB 4.01Å; C3-C27 PolarHBondContact SG-N 3.1Å; C6-C27 PolarHBondContact SG-SG 3.15Å; F10-C27 HydrophobicContact CE1-CB 4.08Å; C27-R29 PolarHBondContact O-N 2.94Å; C27-R29 VanDerWaalsContact O-N 3.15Å; C27-C30 PolarHBondContact O-N 2.79Å; C27-C30 VanDerWaalsContact O-N 3.1Å; C27-C30 PolarHBondContact SG-N 3.2Å; C27-L31 PolarHBondContact O-N 3.13Å
28	S	92.4	Very high	91.4	Very high	46 Å²	46	67 Å²	67	32%	0.322	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-31.5	177	54.1	0	0	0	0	114.2
29	R	91.8	Very high	91	Very high	186 Å²	186	70.2 Å²	70.2	70%	0.702	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-35.7	178.7	-61.3	-179	-177.5	168.3	-0.1	112.9	C27	C27-R29 PolarHBondContact O-N 2.94Å; C27-R29 VanDerWaalsContact O-N 3.15Å
30	C	94.3	Very high	90.9	Very high	15 Å²	15	71.9 Å²	71.9	10%	0.101	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-39.6	-178.4	-68.8	0	0	0	0	112.1	L5 C6 Q26 C27 K32	L5-C30 HydrophobicContact CB-CB 3.97Å; L5-C30 HydrophobicContact CD2-CB 3.77Å; L5-C30 HydrophobicContact CG-CB 4.41Å; C6-C30 WeakPolarHBondContact CB-SG 3.21Å; C6-C30 PolarHBondContact SG-SG 3.26Å; Q26-C30 HydrophobicContact CB-CB 4.03Å; C27-C30 PolarHBondContact O-N 2.79Å; C27-C30 VanDerWaalsContact O-N 3.1Å; C27-C30 PolarHBondContact SG-N 3.2Å; C30-K32 VanDerWaalsContact C-N 3.25Å; C30-K32 PolarHBondContact O-N 3.42Å
31	L	94.5	Very high	91	Very high	4 Å²	4	65.5 Å²	65.5	2%	0.021	32%	0.319	C	S	.	.			trans	-88.2	56.2	-180	-154.2	76.7	0	0	0	112.3	K17 S18 C19 Q26 C27 P40 V41 C42	K17-L31 HydrophobicContact CB-CB 4.48Å; K17-L31 HydrophobicContact CB-CD2 3.53Å; S18-L31 VanDerWaalsContact C-CD2 3.42Å; S18-L31 WeakPolarHBondContact O-CD2 3.28Å; C19-L31 HydrophobicContact CB-CD1 3.89Å; Q26-L31 HydrophobicContact CB-CB 4Å; Q26-L31 HydrophobicContact CB-CD1 4.18Å; Q26-L31 HydrophobicContact CG-CD1 4.46Å; C27-L31 PolarHBondContact O-N 3.13Å; L31-P40 HydrophobicContact CD2-CB 3.95Å; L31-P40 HydrophobicContact CD2-CG 3.51Å; L31-P40 HydrophobicContact CG-CB 3.98Å; L31-P40 HydrophobicContact CG-CG 4.12Å; L31-V41 VanDerWaalsContact CD1-C 3.48Å; L31-V41 WeakPolarHBondContact CD1-O 3.39Å; L31-C42 HydrophobicContact CD1-CB 3.97Å
32	K	89.5	Confident	91.2	Very high	143 Å²	143	62.4 Å²	62.4	62%	0.622	30%	0.304	S	S	*	.			trans	-99.2	-14.2	-177.1	63.8	178.6	177	179.7	0	114.3	C30	C30-K32 VanDerWaalsContact C-N 3.25Å; C30-K32 PolarHBondContact O-N 3.42Å
33	F	91.9	Very high	91.2	Very high	42 Å²	42	62 Å²	62	18%	0.184	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-74.7	148.3	-176.5	-55.5	-83.3	0	0	0	111	V41 L43 Y46	F33-V41 HydrophobicContact CB-CG2 3.95Å; F33-V41 PolarHBondContact O-N 3.36Å; F33-L43 HydrophobicContact CD2-CB 4.28Å; F33-L43 HydrophobicContact CD2-CD1 4.21Å; F33-L43 HydrophobicContact CE1-CD1 3.83Å; F33-L43 HydrophobicContact CE2-CB 3.91Å; F33-L43 HydrophobicContact CE2-CD1 3.38Å; F33-L43 HydrophobicContact CE2-CG 4.27Å; F33-L43 HydrophobicContact CZ-CD1 3.16Å; F33-L43 HydrophobicContact CZ-CG 4.44Å; F33-Y46 HydrophobicContact CB-CD2 3.9Å; F33-Y46 HydrophobicContact CB-CG 3.86Å; F33-Y46 AromaticContact CD1-CD1 3.91Å; F33-Y46 HydrophobicContact CD1-CD1 3.91Å; F33-Y46 HydrophobicContact CD1-CD2 4.35Å; F33-Y46 HydrophobicContact CD1-CE1 4.32Å; F33-Y46 AromaticContact CD1-CG 3.93Å; F33-Y46 HydrophobicContact CD1-CG 3.93Å; F33-Y46 HydrophobicContact CG-CD1 4.48Å; F33-Y46 HydrophobicContact CG-CG 4.1Å
34	K	90.5	Very high	91.2	Very high	143 Å²	143	64.7 Å²	64.7	62%	0.622	30%	0.303	S	S	*	.			trans	-136.2	134.6	-176.9	-66.6	178.3	-173.7	175.9	0	108.1	K39	K34-K39 HydrophobicContact CB-CG 4.07Å; K34-K39 HydrophobicContact CD-CD 4.48Å; K34-K39 HydrophobicContact CG-CB 4.47Å; K34-K39 HydrophobicContact CG-CG 4.21Å
35	L	88.5	Confident	91.1	Very high	11 Å²	11	65 Å²	65	6%	0.058	31%	0.305	C	S	.	.			trans	-108.7	167	164.8	-61.3	168.3	0	0	0	107.7	K37 F38 K39 V41 Y46 N49 N53	L35-K37 PolarHBondContact O-N 3.15Å; L35-F38 PolarHBondContact N-O 3.06Å; L35-K39 WeakPolarHBondContact O-CE 3.48Å; L35-K39 VanDerWaalsContact O-CG 3.26Å; L35-K39 WeakPolarHBondContact O-CG 3.38Å; L35-V41 HydrophobicContact CD1-CG1 4.17Å; L35-V41 HydrophobicContact CD1-CG2 4.03Å; L35-V41 HydrophobicContact CG-CG2 3.85Å; L35-Y46 HydrophobicContact CD2-CD2 3.62Å; L35-Y46 HydrophobicContact CD2-CE2 4.05Å; L35-Y46 HydrophobicContact CG-CD2 4.31Å; L35-N49 HydrophobicContact CD1-CB 3.61Å; L35-N49 HydrophobicContact CD2-CB 4.41Å; L35-N53 WeakPolarHBondContact CD2-ND2 3.2Å
36	E	82.9	Confident	91	Very high	153 Å²	153	65 Å²	65	72%	0.715	30%	0.3	S	S	*	.	S	Bend	trans	-58.6	-50.2	-177.4	-63	-161.2	149.8	0	0	112	K39	E36-K39 WeakPolarHBondContact O-CE 3.34Å
37	K	81.4	Confident	90.8	Very high	160 Å²	160	71.8 Å²	71.8	70%	0.696	33%	0.326	S	S	*	.	S	Bend	trans	-82.5	-27.3	-178.7	-63.9	175.3	-176.2	166.4	0	113.8	L35	L35-K37 PolarHBondContact O-N 3.15Å
38	F	83	Confident	90.5	Very high	82 Å²	82	76.8 Å²	76.8	36%	0.36	35%	0.353	S	S	.	.			trans	-125.7	113.4	-171.8	-60.6	-82.8	0	0	0	112.1	K20 M21 L35 V41	K20-F38 HydrophobicContact CB-CB 4.31Å; K20-F38 HydrophobicContact CB-CD1 4.17Å; M21-F38 HydrophobicContact CE-CD2 4.15Å; M21-F38 HydrophobicContact CE-CE2 4.07Å; M21-F38 HydrophobicContact CG-CB 3.93Å; M21-F38 HydrophobicContact CG-CD1 4.31Å; M21-F38 HydrophobicContact CG-CD2 4.16Å; M21-F38 HydrophobicContact CG-CG 3.88Å; M21-F38 HydrophobicContact SD-CB 3.99Å; M21-F38 HydrophobicContact SD-CD1 3.55Å; M21-F38 VanDerWaalsContact SD-CD1 3.55Å; M21-F38 HydrophobicContact SD-CD2 3.14Å; M21-F38 WeakPolarHBondContact SD-CD2 3.22Å; M21-F38 HydrophobicContact SD-CE1 3.7Å; M21-F38 HydrophobicContact SD-CE2 3.3Å; M21-F38 WeakPolarHBondContact SD-CE2 3.32Å; M21-F38 HydrophobicContact SD-CG 3.26Å; M21-F38 WeakPolarHBondContact SD-CG 3.43Å; M21-F38 HydrophobicContact SD-CZ 3.57Å; M21-F38 VanDerWaalsContact SD-CZ 3.57Å; L35-F38 PolarHBondContact N-O 3.06Å; F38-V41 HydrophobicContact CB-CG1 3.58Å
39	K	86.8	Confident	90.2	Very high	128 Å²	128	76.2 Å²	76.2	56%	0.557	35%	0.346	S	S	*	.	S	Bend	trans	-134.9	118.5	179.9	-59.2	177	-175.2	165.5	0	108.9	K34 L35 E36	K34-K39 HydrophobicContact CB-CG 4.07Å; K34-K39 HydrophobicContact CD-CD 4.48Å; K34-K39 HydrophobicContact CG-CB 4.47Å; K34-K39 HydrophobicContact CG-CG 4.21Å; L35-K39 WeakPolarHBondContact O-CE 3.48Å; L35-K39 VanDerWaalsContact O-CG 3.26Å; L35-K39 WeakPolarHBondContact O-CG 3.38Å; E36-K39 WeakPolarHBondContact O-CE 3.34Å
40	P	92.4	Very high	89.7	Confident	38 Å²	38	71.8 Å²	71.8	25%	0.247	33%	0.332	C	S	.	.	S	Bend	cis	-91.7	158	-3.8	37.5	-37.1	0	0	0	114.4	K20 L31	K20-P40 PolarHBondContact N-O 3.2Å; L31-P40 HydrophobicContact CD2-CB 3.95Å; L31-P40 HydrophobicContact CD2-CG 3.51Å; L31-P40 HydrophobicContact CG-CB 3.98Å; L31-P40 HydrophobicContact CG-CG 4.12Å
41	V	94.5	Very high	88.5	Confident	0 Å²	0	73.7 Å²	73.7	0%	0	35%	0.346	C	S	.	.	B	Isolated β-bridge	trans	-125.7	158.2	175.7	-64.2	0	0	0	0	112.6	M21 L31 F33 L35 F38 C45	M21-V41 HydrophobicContact CB-CG1 4.29Å; M21-V41 HydrophobicContact CG-CB 4.5Å; M21-V41 HydrophobicContact CG-CG1 3.52Å; L31-V41 VanDerWaalsContact CD1-C 3.48Å; L31-V41 WeakPolarHBondContact CD1-O 3.39Å; F33-V41 HydrophobicContact CB-CG2 3.95Å; F33-V41 PolarHBondContact O-N 3.36Å; L35-V41 HydrophobicContact CD1-CG1 4.17Å; L35-V41 HydrophobicContact CD1-CG2 4.03Å; L35-V41 HydrophobicContact CG-CG2 3.85Å; F38-V41 HydrophobicContact CB-CG1 3.58Å; V41-C45 HydrophobicContact CB-CB 4.39Å
42	C	94.6	Very high	87	Confident	0 Å²	0	78 Å²	78	0%	0	37%	0.368	C	S	.	.			trans	-77.4	167.5	175.1	66.8	0	0	0	0	112.3	C19 S24 L31 D44 C45 Y46	C19-C42 HydrophobicContact CB-CB 4.11Å; C19-C42 PolarHBondContact SG-N 2.95Å; S24-C42 WeakPolarHBondContact OG-CB 3.02Å; L31-C42 HydrophobicContact CD1-CB 3.97Å; C42-D44 VanDerWaalsContact C-N 3.33Å; C42-D44 PolarHBondContact O-N 3.15Å; C42-C45 PolarHBondContact SG-N 3.31Å; C42-C45 PolarHBondContact SG-SG 2.81Å; C42-Y46 WeakPolarHBondContact O-CB 3.23Å; C42-Y46 PolarHBondContact O-N 3.27Å
43	L	92.5	Very high	85.4	Confident	49 Å²	49	73.8 Å²	73.8	26%	0.257	35%	0.352	S	S	.	.	H	α-helix	trans	-55.1	-47.1	178.6	-173.4	71.6	0	0	0	112	F33 Y46 Y47	F33-L43 HydrophobicContact CD2-CB 4.28Å; F33-L43 HydrophobicContact CD2-CD1 4.21Å; F33-L43 HydrophobicContact CE1-CD1 3.83Å; F33-L43 HydrophobicContact CE2-CB 3.91Å; F33-L43 HydrophobicContact CE2-CD1 3.38Å; F33-L43 HydrophobicContact CE2-CG 4.27Å; F33-L43 HydrophobicContact CZ-CD1 3.16Å; F33-L43 HydrophobicContact CZ-CG 4.44Å; L43-Y46 WeakPolarHBondContact O-CB 3.48Å; L43-Y46 PolarHBondContact O-N 3.43Å; L43-Y47 HydrophobicContact CD1-CD2 4.18Å; L43-Y47 HydrophobicContact CD1-CE2 3.59Å; L43-Y47 HydrophobicContact CG-CD2 4.16Å; L43-Y47 HydrophobicContact CG-CE2 3.97Å; L43-Y47 VanDerWaalsContact O-CD2 3.32Å; L43-Y47 WeakPolarHBondContact O-CD2 3.48Å; L43-Y47 PolarHBondContact O-N 3.43Å; L43-Y47 VanDerWaalsContact O-N 3.15Å
44	D	92.6	Very high	83.9	Confident	96 Å²	96	78 Å²	78	51%	0.513	38%	0.376	S	S	.	.	H	α-helix	trans	-64.4	-54	-177.3	-45.7	-47.1	0	0	0	110.6	C42 Y46 Y47 D48	C42-D44 VanDerWaalsContact C-N 3.33Å; C42-D44 PolarHBondContact O-N 3.15Å; D44-Y46 PolarHBondContact O-N 3.43Å; D44-Y46 VanDerWaalsContact O-N 3.15Å; D44-Y47 PolarHBondContact O-N 3.17Å; D44-D48 VanDerWaalsContact O-CG 3.24Å; D44-D48 PolarHBondContact O-N 3.39Å
45	C	93.6	Very high	82.3	Confident	13 Å²	13	74.9 Å²	74.9	9%	0.088	37%	0.373	C	S	.	.	H	α-helix	trans	-60	-30.9	177	-67.5	0	0	0	0	113.1	M21 C22 V41 C42 N49	M21-C45 HydrophobicContact CB-CB 3.9Å; M21-C45 HydrophobicContact CG-CB 4.32Å; C22-C45 VanDerWaalsContact CB-SG 3.59Å; V41-C45 HydrophobicContact CB-CB 4.39Å; C42-C45 PolarHBondContact SG-N 3.31Å; C42-C45 PolarHBondContact SG-SG 2.81Å; C45-N49 WeakPolarHBondContact O-CB 3.36Å; C45-N49 PolarHBondContact O-N 3.47Å; C45-N49 PolarHBondContact O-ND2 2.94Å
46	Y	92.8	Very high	80.3	Confident	51 Å²	51	80.3 Å²	80.3	20%	0.2	40%	0.398	C	S	.	.	H	α-helix	trans	-64.1	-49	175	176.1	-98.6	0	0	0	110.9	F33 L35 C42 L43 D44 N49 K50	F33-Y46 HydrophobicContact CB-CD2 3.9Å; F33-Y46 HydrophobicContact CB-CG 3.86Å; F33-Y46 AromaticContact CD1-CD1 3.91Å; F33-Y46 HydrophobicContact CD1-CD1 3.91Å; F33-Y46 HydrophobicContact CD1-CD2 4.35Å; F33-Y46 HydrophobicContact CD1-CE1 4.32Å; F33-Y46 AromaticContact CD1-CG 3.93Å; F33-Y46 HydrophobicContact CD1-CG 3.93Å; F33-Y46 HydrophobicContact CG-CD1 4.48Å; F33-Y46 HydrophobicContact CG-CG 4.1Å; L35-Y46 HydrophobicContact CD2-CD2 3.62Å; L35-Y46 HydrophobicContact CD2-CE2 4.05Å; L35-Y46 HydrophobicContact CG-CD2 4.31Å; C42-Y46 WeakPolarHBondContact O-CB 3.23Å; C42-Y46 PolarHBondContact O-N 3.27Å; L43-Y46 WeakPolarHBondContact O-CB 3.48Å; L43-Y46 PolarHBondContact O-N 3.43Å; D44-Y46 PolarHBondContact O-N 3.43Å; D44-Y46 VanDerWaalsContact O-N 3.15Å; Y46-N49 PolarHBondContact O-N 3.45Å; Y46-K50 HydrophobicContact CE1-CD 3.84Å; Y46-K50 WeakPolarHBondContact O-CA 3.32Å; Y46-K50 WeakPolarHBondContact O-CB 3.09Å; Y46-K50 PolarHBondContact O-N 2.88Å
47	Y	91.2	Very high	78.2	Confident	145 Å²	145	82 Å²	82	57%	0.569	41%	0.406	S	S	*	.	H	α-helix	trans	-69.2	-38	179.5	-76	-64.4	0	0	0	113.3	L43 D44 N49	L43-Y47 HydrophobicContact CD1-CD2 4.18Å; L43-Y47 HydrophobicContact CD1-CE2 3.59Å; L43-Y47 HydrophobicContact CG-CD2 4.16Å; L43-Y47 HydrophobicContact CG-CE2 3.97Å; L43-Y47 VanDerWaalsContact O-CD2 3.32Å; L43-Y47 WeakPolarHBondContact O-CD2 3.48Å; L43-Y47 PolarHBondContact O-N 3.43Å; L43-Y47 VanDerWaalsContact O-N 3.15Å; D44-Y47 PolarHBondContact O-N 3.17Å; Y47-N49 VanDerWaalsContact C-N 3.28Å; Y47-N49 PolarHBondContact O-N 3.37Å
48	D	89.2	Confident	76.1	Confident	107 Å²	107	81.7 Å²	81.7	57%	0.572	41%	0.407	S	S	*	.	H	α-helix	trans	-61.1	-39	177.7	-62.9	-25.1	0	0	0	111.6	D44	D44-D48 VanDerWaalsContact O-CG 3.24Å; D44-D48 PolarHBondContact O-N 3.39Å
49	N	84.7	Confident	73.7	Confident	35 Å²	35	84.3 Å²	84.3	19%	0.187	42%	0.424	C	S	.	.	H	α-helix	trans	-101.5	-7.8	-175.2	-64.5	-88.5	0	0	0	114.1	L35 C45 Y46 Y47 S51 L52 N53	L35-N49 HydrophobicContact CD1-CB 3.61Å; L35-N49 HydrophobicContact CD2-CB 4.41Å; C45-N49 WeakPolarHBondContact O-CB 3.36Å; C45-N49 PolarHBondContact O-N 3.47Å; C45-N49 PolarHBondContact O-ND2 2.94Å; Y46-N49 PolarHBondContact O-N 3.45Å; Y47-N49 VanDerWaalsContact C-N 3.28Å; Y47-N49 PolarHBondContact O-N 3.37Å; N49-S51 PolarHBondContact O-N 3.28Å; N49-L52 PolarHBondContact O-N 3.46Å; N49-L52 VanDerWaalsContact O-N 3.11Å; N49-N53 PolarHBondContact O-N 3.27Å; N49-N53 PolarHBondContact O-ND2 3.14Å
50	K	81.4	Confident	71.1	Confident	92 Å²	92	82.5 Å²	82.5	40%	0.4	43%	0.427	S	S	.	.	H	α-helix	trans	-59.4	-41	175.8	-175.6	174.1	-176.2	176.1	0	110.5	Y46 L52 N53	Y46-K50 HydrophobicContact CE1-CD 3.84Å; Y46-K50 WeakPolarHBondContact O-CA 3.32Å; Y46-K50 WeakPolarHBondContact O-CB 3.09Å; Y46-K50 PolarHBondContact O-N 2.88Å; K50-L52 VanDerWaalsContact C-N 3.27Å; K50-L52 PolarHBondContact O-N 2.92Å; K50-N53 PolarHBondContact O-N 3Å
51	S	70.8	Confident	68.3	Low	56 Å²	56	86.1 Å²	86.1	39%	0.392	45%	0.453	S	S	.	.	H	α-helix	trans	-67	-24.7	176.7	68.8	0	0	0	0	114.2	N49	N49-S51 PolarHBondContact O-N 3.28Å
52	L	62.4	Low	65.4	Low	93 Å²	93	96 Å²	96	49%	0.487	50%	0.496	S	S	.	.	H	α-helix	trans	-88.9	-24.3	179.8	-61.6	175.6	0	0	0	113	N49 K50 S55	N49-L52 PolarHBondContact O-N 3.46Å; N49-L52 VanDerWaalsContact O-N 3.11Å; K50-L52 VanDerWaalsContact C-N 3.27Å; K50-L52 PolarHBondContact O-N 2.92Å; L52-S55 CarbonylContact O-C 3.36Å; L52-S55 VanDerWaalsContact O-C 3.25Å; L52-S55 PolarHBondContact O-N 3.04Å
53	N	56.3	Low	62.6	Low	56 Å²	56	100.5 Å²	100.5	30%	0.299	53%	0.533	S	S	.	.	H	α-helix	trans	-80.2	-26.5	176.5	-71.5	-35.8	0	0	0	112.6	L35 N49 K50 S55	L35-N53 WeakPolarHBondContact CD2-ND2 3.2Å; N49-N53 PolarHBondContact O-N 3.27Å; N49-N53 PolarHBondContact O-ND2 3.14Å; K50-N53 PolarHBondContact O-N 3Å; N53-S55 PolarHBondContact O-N 2.71Å
54	D	60.3	Low	60.2	Low	129 Å²	129	103.3 Å²	103.3	69%	0.69	56%	0.557	S	S	*	*	S	Bend	trans	-71.4	-9.9	173	-65.8	-26.7	0	0	0	111.6
55	S	55.8	Low	57.8	Low	79 Å²	79	103.7 Å²	103.7	55%	0.552	57%	0.567	S	S	*	*	S	Bend	trans	-149.7	88.5	-178.8	-53.1	0	0	0	0	109	L52 N53	L52-S55 CarbonylContact O-C 3.36Å; L52-S55 VanDerWaalsContact O-C 3.25Å; L52-S55 PolarHBondContact O-N 3.04Å; N53-S55 PolarHBondContact O-N 2.71Å
56	E	46.6	Very low	55.2	Low	125 Å²	125	108.8 Å²	108.8	58%	0.584	60%	0.603	S	S	*	*			trans	162.9	89.6	146.7	-85.3	169.5	-162.9	0	0	112.1	Q58	E56-Q58 VanDerWaalsContact CG-O 3.28Å; E56-Q58 WeakPolarHBondContact CG-O 3.43Å
57	E	39.2	Very low	52.5	Low	188 Å²	188	115 Å²	115	88%	0.879	63%	0.626	S	S	*	*	S	Bend		-60.1	128.7	121.1	-73.5	-174.4	153.9	0	0	106.6
58	Q	36.4	Very low	50	Low	153 Å²	153	112.7 Å²	112.7	72%	0.715	64%	0.637	S	S	*	*			trans	72.9	106.1	177.9	-54.6	174.4	9.6	0	0	114.3	E56	E56-Q58 VanDerWaalsContact CG-O 3.28Å; E56-Q58 WeakPolarHBondContact CG-O 3.43Å
59	L	33.2	Very low	47.5	Very low	137 Å²	137	116 Å²	116	72%	0.717	65%	0.646	S	S	*	*			cis	-172.3	143.3	49.5	-95.4	132.2	0	0	0	111.7
60	C	32.6	Very low	45.2	Very low	91 Å²	91	122.6 Å²	122.6	62%	0.615	68%	0.681	S	S	*	*			trans	40.8	102.3	145	-66.9	0	0	0	0	121.1	F62	C60-F62 PolarHBondContact O-N 3.05Å
61	S	32.9	Very low	43.1	Very low	114 Å²	114	124.3 Å²	124.3	80%	0.797	70%	0.699	S	S	*	*				29.1	82.1	121.5	56.7	0	0	0	0	117.4
62	F	35.1	Very low	41.4	Very low	208 Å²	208	125.7 Å²	125.7	91%	0.912	71%	0.714	S	S	*	*			trans	-108.2	93.5	148.7	-87.6	-86.3	0	0	0	109	C60 S64	C60-F62 PolarHBondContact O-N 3.05Å; F62-S64 PolarHBondContact O-N 2.82Å
63	A	34.9	Very low	40	Very low	93 Å²	93	126.5 Å²	126.5	77%	0.769	73%	0.727	S	S	*	*			trans	-64	113.1	158.1	0	0	0	0	0	107.9
64	S	41.5	Very low	38.8	Very low	108 Å²	108	133.4 Å²	133.4	76%	0.755	76%	0.755	S	S	*	*				175.3	115.7	126.4	-77.9	0	0	0	0	112.4	F62 S66	F62-S64 PolarHBondContact O-N 2.82Å; S64-S66 PolarHBondContact O-N 3.36Å
65	S	42.2	Very low	37.6	Very low	104 Å²	104	135.9 Å²	135.9	73%	0.727	77%	0.767	S	S	*	*			trans	-49.3	115.5	161.5	155	0	0	0	0	111.8
66	S	40.5	Very low	36.6	Very low	120 Å²	120	141.8 Å²	141.8	84%	0.839	78%	0.782	S	S	*	*			trans	-99	85.6	164.2	-64.9	0	0	0	0	110.2	S64	S64-S66 PolarHBondContact O-N 3.36Å
67	R	35.7	Very low	36	Very low	182 Å²	182	140.8 Å²	140.8	69%	0.687	79%	0.786	S	S	*	*			trans	-80.2	113.5	147.4	-73.9	-177.7	-177	-175.2	0.9	106.4
68	A	39.5	Very low	35.9	Very low	96 Å²	96	140 Å²	140	79%	0.793	79%	0.788	S	S	*	*			trans	-97.3	90	167.1	0	0	0	0	0	108.8
69	F	36.6	Very low	35.9	Very low	176 Å²	176	141.6 Å²	141.6	77%	0.772	79%	0.793	S	S	*	*			trans	-67.6	124.5	157	-104.2	-100.1	0	0	0	107.8	V71	F69-V71 PolarHBondContact O-N 2.89Å; F69-V71 VanDerWaalsContact O-N 3.16Å
70	L	35.6	Very low	36	Very low	174 Å²	174	140.7 Å²	140.7	91%	0.911	79%	0.793	S	S	*	*			trans	-77.6	92	168.9	-66.8	174.3	0	0	0	108.6
71	V	37.6	Very low	36.3	Very low	128 Å²	128	142.5 Å²	142.5	78%	0.776	81%	0.805	S	S	*	*			trans	-125.9	136.7	155.1	175.4	0	0	0	0	107.6	F69	F69-V71 PolarHBondContact O-N 2.89Å; F69-V71 VanDerWaalsContact O-N 3.16Å
72	A	34.4	Very low	36.8	Very low	86 Å²	86	145.2 Å²	145.2	71%	0.711	81%	0.805	S	S	*	*			trans	-45	134.8	-164.7	0	0	0	0	0	116.9
73	S	32.9	Very low	36.9	Very low	110 Å²	110	143.8 Å²	143.8	77%	0.769	80%	0.801	S	S	*	*			trans	54.2	96.9	133.7	-55	0	0	0	0	118.9
74	K	31.1	Very low	37.3	Very low	201 Å²	201	146 Å²	146	87%	0.874	81%	0.805	S	S	*	*				167.2	98.4	109	-89.5	176	-174.8	-178.3	0	107.7
75	L	35.1	Very low	37.6	Very low	180 Å²	180	152 Å²	152	94%	0.942	81%	0.811	S	S	*	*	S	Bend	trans	173.9	140.1	141.3	-89.4	164.2	0	0	0	108
76	K	34.6	Very low	38	Very low	204 Å²	204	151.2 Å²	151.2	89%	0.887	81%	0.805	S	S	*	*			trans	-69.9	143.4	-164.1	-66.2	173.8	178.6	177.4	0	111.9
77	P	34.6	Very low	38.6	Very low	103 Å²	103	155.2 Å²	155.2	67%	0.669	80%	0.802	S	S	*	*			trans	-85.7	126.9	-171.1	32.8	-32.2	0	0	0	111.8	K79	P77-K79 PolarHBondContact O-N 3.06Å
78	N	36.4	Very low	39.7	Very low	171 Å²	171	151.9 Å²	151.9	91%	0.914	80%	0.798	S	S	*	*			trans	-84	109.6	163.7	-85.3	-15.8	0	0	0	108.9	T80	N78-T80 PolarHBondContact O-N 3.08Å
79	K	36.3	Very low	41.5	Very low	188 Å²	188	150.9 Å²	150.9	82%	0.817	78%	0.779	S	S	*	*			trans	-74.3	112.6	177.7	-61.5	172.2	179.5	179.2	0	109	P77	P77-K79 PolarHBondContact O-N 3.06Å
80	T	36.4	Very low	43.5	Very low	117 Å²	117	147.1 Å²	147.1	72%	0.718	77%	0.772	S	S	*	*			trans	-149.6	84.8	145.8	-9.4	0	0	0	0	107.9	N78 H82	N78-T80 PolarHBondContact O-N 3.08Å; T80-H82 PolarHBondContact O-N 3.23Å; T80-H82 VanDerWaalsContact O-N 3.11Å
81	C	38	Very low	45.9	Very low	129 Å²	129	145.7 Å²	145.7	87%	0.872	76%	0.759	S	S	*	*			trans	-61.6	108.5	155.6	-83.9	0	0	0	0	105.7	E83	C81-E83 PolarHBondContact O-N 2.88Å; C81-E83 VanDerWaalsContact O-N 3.1Å
82	H	43.8	Very low	48.1	Very low	171 Å²	171	142.7 Å²	142.7	79%	0.792	74%	0.741	S	S	*	*			trans	-62.2	114	167.7	-90	-79.3	0	0	0	107.4	T80 V84	T80-H82 PolarHBondContact O-N 3.23Å; T80-H82 VanDerWaalsContact O-N 3.11Å; H82-V84 PolarHBondContact O-N 2.81Å; H82-V84 VanDerWaalsContact O-N 3.12Å
83	E	36.5	Very low	50.7	Low	179 Å²	179	142.2 Å²	142.2	84%	0.836	73%	0.726	S	S	*	*			trans	-50.3	119.2	166	-70.9	-176.1	148.7	0	0	107.8	C81 R85	C81-E83 PolarHBondContact O-N 2.88Å; C81-E83 VanDerWaalsContact O-N 3.1Å; E83-R85 VanDerWaalsContact C-N 3.33Å; E83-R85 PolarHBondContact O-N 3.36Å
84	V	45.2	Very low	53.6	Low	139 Å²	139	143.7 Å²	143.7	84%	0.842	72%	0.721	S	S	*	*			trans	-58.5	103.9	168.5	176.2	0	0	0	0	105.4	H82 S86	H82-V84 PolarHBondContact O-N 2.81Å; H82-V84 VanDerWaalsContact O-N 3.12Å; V84-S86 PolarHBondContact O-N 3.13Å
85	R	46.2	Very low	56.5	Low	234 Å²	234	138.7 Å²	138.7	88%	0.883	70%	0.703	S	S	*	*			trans	-53.7	110.4	170.8	-93.9	-178.9	162.1	179.8	-5.1	106.7	E83 R87	E83-R85 VanDerWaalsContact C-N 3.33Å; E83-R85 PolarHBondContact O-N 3.36Å; R85-R87 VanDerWaalsContact C-N 3.3Å; R85-R87 PolarHBondContact O-N 3.03Å
86	S	50.5	Low	59.2	Low	87 Å²	87	134.1 Å²	134.1	61%	0.608	68%	0.679	S	S	*	*			trans	-54.8	98.9	169.1	-174	0	0	0	0	107.1	V84 N88	V84-S86 PolarHBondContact O-N 3.13Å; S86-N88 VanDerWaalsContact C-N 3.26Å; S86-N88 WeakPolarHBondContact CB-OD1 3.06Å; S86-N88 PolarHBondContact O-N 3.29Å; S86-N88 PolarHBondContact O-OD1 2.92Å; S86-N88 PolarHBondContact OG-OD1 3.25Å
87	R	54.6	Low	62.1	Low	204 Å²	204	130.8 Å²	130.8	77%	0.77	67%	0.665	S	S	*	*			trans	-70.4	100.8	160.1	-77.7	-173.4	-179.5	-175.5	-0.4	103.5	R85 D89	R85-R87 VanDerWaalsContact C-N 3.3Å; R85-R87 PolarHBondContact O-N 3.03Å; R87-D89 PolarHBondContact O-N 2.8Å
88	N	58.6	Low	64.9	Low	113 Å²	113	133.9 Å²	133.9	60%	0.604	66%	0.663	S	S	*	*			trans	-65.9	66	171.4	-56.6	-19.9	0	0	0	108.2	S86	S86-N88 VanDerWaalsContact C-N 3.26Å; S86-N88 WeakPolarHBondContact CB-OD1 3.06Å; S86-N88 PolarHBondContact O-N 3.29Å; S86-N88 PolarHBondContact O-OD1 2.92Å; S86-N88 PolarHBondContact OG-OD1 3.25Å
89	D	76	Confident	67.5	Low	75 Å²	75	133 Å²	133	40%	0.401	65%	0.651	S	S	.	*			trans	-68.4	126.5	168.6	179.2	89.1	0	0	0	106.3	R87 K91 T92 D93	R87-D89 PolarHBondContact O-N 2.8Å; D89-K91 PolarHBondContact O-N 2.91Å; D89-K91 WeakPolarHBondContact OD2-CB 3.48Å; D89-K91 PolarHBondContact OD2-N 2.88Å; D89-T92 WeakPolarHBondContact O-CA 3.28Å; D89-T92 VanDerWaalsContact O-CB 3.32Å; D89-T92 WeakPolarHBondContact O-CB 3.32Å; D89-T92 PolarHBondContact O-N 3.1Å; D89-D93 PolarHBondContact O-N 2.94Å
90	P	78.6	Confident	70.1	Confident	96 Å²	96	130.1 Å²	130.1	62%	0.623	64%	0.641	S	S	*	*	H	α-helix	trans	-57.3	-25.2	-172.9	19.5	-31.6	0	0	0	113.2	E94	P90-E94 PolarHBondContact O-N 3.04Å; P90-E94 VanDerWaalsContact O-N 3.13Å
91	K	86.3	Confident	72.8	Confident	145 Å²	145	128.6 Å²	128.6	63%	0.63	63%	0.628	S	S	*	*	H	α-helix	trans	-73.7	-31.5	175.4	-55.8	177.5	176.8	176.7	0	112	D89 L95	D89-K91 PolarHBondContact O-N 2.91Å; D89-K91 WeakPolarHBondContact OD2-CB 3.48Å; D89-K91 PolarHBondContact OD2-N 2.88Å; K91-L95 WeakPolarHBondContact O-CB 3.46Å; K91-L95 WeakPolarHBondContact O-CD1 3.2Å; K91-L95 WeakPolarHBondContact O-CG 3.49Å; K91-L95 PolarHBondContact O-N 3.12Å
92	T	84.4	Confident	75.1	Confident	65 Å²	65	127.5 Å²	127.5	40%	0.399	61%	0.613	S	S	.	*	H	α-helix	trans	-68.5	-42.1	177	-52	0	0	0	0	110	D89 L95 I96	D89-T92 WeakPolarHBondContact O-CA 3.28Å; D89-T92 VanDerWaalsContact O-CB 3.32Å; D89-T92 WeakPolarHBondContact O-CB 3.32Å; D89-T92 PolarHBondContact O-N 3.1Å; T92-L95 PolarHBondContact O-N 3.11Å; T92-I96 HydrophobicContact CG2-CD1 4.13Å; T92-I96 VanDerWaalsContact O-CG1 3.28Å; T92-I96 WeakPolarHBondContact O-CG1 3.44Å; T92-I96 PolarHBondContact O-N 3.44Å
93	D	87.8	Confident	77.1	Confident	75 Å²	75	127.4 Å²	127.4	40%	0.401	61%	0.61	S	S	.	*	H	α-helix	trans	-65.2	-40.7	176.3	-64.2	-25.4	0	0	0	111.8	D89 L95 I96 K97	D89-D93 PolarHBondContact O-N 2.94Å; D93-L95 VanDerWaalsContact C-N 3.32Å; D93-L95 PolarHBondContact O-N 3.33Å; D93-I96 PolarHBondContact O-N 3.4Å; D93-K97 WeakPolarHBondContact O-CB 3.26Å; D93-K97 PolarHBondContact O-N 2.97Å
94	E	93.9	Very high	79.2	Confident	141 Å²	141	127.6 Å²	127.6	66%	0.659	61%	0.608	S	S	*	*	H	α-helix	trans	-60.4	-41.9	173.9	-171.2	-176.4	175.7	0	0	111.8	P90 R98	P90-E94 PolarHBondContact O-N 3.04Å; P90-E94 VanDerWaalsContact O-N 3.13Å; E94-R98 WeakPolarHBondContact O-CB 3.43Å; E94-R98 PolarHBondContact O-N 2.97Å
95	L	92.6	Very high	80.5	Confident	96 Å²	96	126.7 Å²	126.7	50%	0.503	60%	0.599	S	S	.	*	H	α-helix	trans	-66.3	-43.3	176.7	-73.7	168.5	0	0	0	112.1	K91 T92 D93 R98 F99	K91-L95 WeakPolarHBondContact O-CB 3.46Å; K91-L95 WeakPolarHBondContact O-CD1 3.2Å; K91-L95 WeakPolarHBondContact O-CG 3.49Å; K91-L95 PolarHBondContact O-N 3.12Å; T92-L95 PolarHBondContact O-N 3.11Å; D93-L95 VanDerWaalsContact C-N 3.32Å; D93-L95 PolarHBondContact O-N 3.33Å; L95-R98 PolarHBondContact O-N 3.45Å; L95-F99 WeakPolarHBondContact O-CD2 3.28Å; L95-F99 PolarHBondContact O-N 2.96Å
96	I	92.8	Very high	81.6	Confident	84 Å²	84	122.8 Å²	122.8	43%	0.431	59%	0.591	S	S	.	*	H	α-helix	trans	-59.6	-49.3	177	-69.3	163.6	0	0	0	109.7	T92 D93 R98 F99 E100	T92-I96 HydrophobicContact CG2-CD1 4.13Å; T92-I96 VanDerWaalsContact O-CG1 3.28Å; T92-I96 WeakPolarHBondContact O-CG1 3.44Å; T92-I96 PolarHBondContact O-N 3.44Å; D93-I96 PolarHBondContact O-N 3.4Å; I96-R98 VanDerWaalsContact C-N 3.35Å; I96-R98 PolarHBondContact O-N 3.34Å; I96-F99 WeakPolarHBondContact O-CB 3.29Å; I96-F99 PolarHBondContact O-N 3.16Å; I96-F99 VanDerWaalsContact O-N 3.13Å; I96-E100 PolarHBondContact O-N 3.22Å
97	K	93.9	Very high	82.5	Confident	134 Å²	134	124.3 Å²	124.3	58%	0.583	60%	0.596	S	S	*	*	H	α-helix	trans	-58.8	-45.4	177.8	-174.3	-178.7	177.2	-174.7	0	112	D93 F99 E100 D101	D93-K97 WeakPolarHBondContact O-CB 3.26Å; D93-K97 PolarHBondContact O-N 2.97Å; K97-F99 VanDerWaalsContact C-N 3.28Å; K97-F99 PolarHBondContact O-N 3.07Å; K97-E100 PolarHBondContact O-N 3.25Å; K97-E100 VanDerWaalsContact O-N 3.17Å; K97-D101 PolarHBondContact O-N 3.01Å
98	R	93.4	Very high	83.2	Confident	169 Å²	169	123.9 Å²	123.9	64%	0.638	60%	0.6	S	S	*	*	H	α-helix	trans	-61.6	-36.4	177.5	-171.8	178.2	174.8	-166.4	-1.5	112.2	E94 L95 I96 L102	E94-R98 WeakPolarHBondContact O-CB 3.43Å; E94-R98 PolarHBondContact O-N 2.97Å; L95-R98 PolarHBondContact O-N 3.45Å; I96-R98 VanDerWaalsContact C-N 3.35Å; I96-R98 PolarHBondContact O-N 3.34Å; R98-L102 HydrophobicContact CG-CD1 4.47Å; R98-L102 WeakPolarHBondContact O-CB 3.35Å; R98-L102 WeakPolarHBondContact O-CG 3.43Å; R98-L102 PolarHBondContact O-N 3.42Å; R98-L102 VanDerWaalsContact O-N 3.09Å
99	F	91	Very high	83.7	Confident	153 Å²	153	124.6 Å²	124.6	67%	0.671	61%	0.608	S	S	*	*	H	α-helix	trans	-66.3	-41.3	174.3	-100.9	-76.9	0	0	0	112.3	L95 I96 K97 L102 K103	L95-F99 WeakPolarHBondContact O-CD2 3.28Å; L95-F99 PolarHBondContact O-N 2.96Å; I96-F99 WeakPolarHBondContact O-CB 3.29Å; I96-F99 PolarHBondContact O-N 3.16Å; I96-F99 VanDerWaalsContact O-N 3.13Å; K97-F99 VanDerWaalsContact C-N 3.28Å; K97-F99 PolarHBondContact O-N 3.07Å; F99-L102 PolarHBondContact O-N 3.16Å; F99-K103 WeakPolarHBondContact O-CB 3.3Å; F99-K103 PolarHBondContact O-N 3.04Å
100	E	92.7	Very high	83.6	Confident	127 Å²	127	125.7 Å²	125.7	59%	0.593	61%	0.611	S	S	*	*	H	α-helix	trans	-64.8	-43.2	176.5	-69.4	-179.3	164.8	0	0	111.9	I96 K97 L102 K103 K104	I96-E100 PolarHBondContact O-N 3.22Å; K97-E100 PolarHBondContact O-N 3.25Å; K97-E100 VanDerWaalsContact O-N 3.17Å; E100-L102 PolarHBondContact O-N 3.06Å; E100-K103 PolarHBondContact O-N 3.44Å; E100-K104 PolarHBondContact O-N 3.34Å
101	D	91.7	Very high	83.7	Confident	85 Å²	85	126.2 Å²	126.2	46%	0.455	61%	0.608	S	S	.	*	H	α-helix	trans	-61.7	-42.7	176.4	-72.8	-27.5	0	0	0	111.8	K97 K104 N105	K97-D101 PolarHBondContact O-N 3.01Å; D101-K104 PolarHBondContact O-N 3.4Å; D101-N105 WeakPolarHBondContact O-CB 3.22Å; D101-N105 PolarHBondContact O-N 2.86Å
102	L	86.7	Confident	83.7	Confident	106 Å²	106	124.3 Å²	124.3	56%	0.555	61%	0.609	S	S	*	*	H	α-helix	trans	-65.2	-38.7	176	-78.3	169.9	0	0	0	112.4	R98 F99 E100 K104 N105 Q106	R98-L102 HydrophobicContact CG-CD1 4.47Å; R98-L102 WeakPolarHBondContact O-CB 3.35Å; R98-L102 WeakPolarHBondContact O-CG 3.43Å; R98-L102 PolarHBondContact O-N 3.42Å; R98-L102 VanDerWaalsContact O-N 3.09Å; F99-L102 PolarHBondContact O-N 3.16Å; E100-L102 PolarHBondContact O-N 3.06Å; L102-K104 VanDerWaalsContact C-N 3.32Å; L102-K104 PolarHBondContact O-N 3.04Å; L102-N105 CarbonylContact O-C 3.44Å; L102-N105 PolarHBondContact O-N 3.11Å; L102-Q106 PolarHBondContact O-N 3.06Å
103	K	85.3	Confident	83.7	Confident	168 Å²	168	125 Å²	125	73%	0.73	62%	0.616	S	S	*	*	H	α-helix	trans	-66	-36.2	176.8	-169.4	178.8	178.8	-177.4	0	111.5	F99 E100 Q106	F99-K103 WeakPolarHBondContact O-CB 3.3Å; F99-K103 PolarHBondContact O-N 3.04Å; E100-K103 PolarHBondContact O-N 3.44Å; K103-Q106 WeakPolarHBondContact O-CB 3.45Å; K103-Q106 PolarHBondContact O-N 3.1Å
104	K	82	Confident	83.8	Confident	183 Å²	183	125.7 Å²	125.7	80%	0.796	62%	0.619	S	S	*	*	H	α-helix	trans	-69.6	-33.5	174.2	-169.7	178	179.6	-178.1	0	112.5	E100 D101 L102 Q106	E100-K104 PolarHBondContact O-N 3.34Å; D101-K104 PolarHBondContact O-N 3.4Å; L102-K104 VanDerWaalsContact C-N 3.32Å; L102-K104 PolarHBondContact O-N 3.04Å; K104-Q106 PolarHBondContact O-N 3.03Å
105	N	71.2	Confident	83.4	Confident	120 Å²	120	122.2 Å²	122.2	64%	0.642	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84	12.9	174.9	-73.2	-14.3	0	0	0	113.6	D101 L102 V107	D101-N105 WeakPolarHBondContact O-CB 3.22Å; D101-N105 PolarHBondContact O-N 2.86Å; L102-N105 CarbonylContact O-C 3.44Å; L102-N105 PolarHBondContact O-N 3.11Å; N105-V107 PolarHBondContact O-N 3.11Å
106	Q	69.6	Low	83.2	Confident	152 Å²	152	122.3 Å²	122.3	71%	0.71	60%	0.602	S	S	*	*			trans	-54.7	110.4	171.9	-170.3	171.6	25.6	0	0	107.7	L102 K103 K104 K108	L102-Q106 PolarHBondContact O-N 3.06Å; K103-Q106 WeakPolarHBondContact O-CB 3.45Å; K103-Q106 PolarHBondContact O-N 3.1Å; K104-Q106 PolarHBondContact O-N 3.03Å; Q106-K108 PolarHBondContact O-N 2.8Å
107	V	69.3	Low	83	Confident	119 Å²	119	123.6 Å²	123.6	72%	0.721	60%	0.603	S	S	*	*			trans	-41.5	118.8	-178.6	175.7	0	0	0	0	106.9	N105 V109	N105-V107 PolarHBondContact O-N 3.11Å; V107-V109 VanDerWaalsContact C-N 3.35Å; V107-V109 PolarHBondContact O-N 2.63Å
108	K	69.9	Low	82.8	Confident	196 Å²	196	122.9 Å²	122.9	85%	0.852	60%	0.596	S	S	*	*			trans	-51.6	110.5	171	-68.1	179.9	-178.8	179.2	0	104.8	Q106 E110	Q106-K108 PolarHBondContact O-N 2.8Å; K108-E110 PolarHBondContact O-N 3.4Å
109	V	68.9	Low	82.4	Confident	128 Å²	128	120.5 Å²	120.5	78%	0.776	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-46.8	116.4	174.7	176.7	0	0	0	0	104.9	V107 D111	V107-V109 VanDerWaalsContact C-N 3.35Å; V107-V109 PolarHBondContact O-N 2.63Å; V109-D111 PolarHBondContact O-N 3.01Å
110	E	72.9	Confident	82.3	Confident	97 Å²	97	117.4 Å²	117.4	45%	0.453	58%	0.575	S	S	.	*	P	Polyproline II helix	trans	-49.1	133.2	178.3	-74.3	-179.3	169.4	0	0	107.4	K108 V112 L115 R118	K108-E110 PolarHBondContact O-N 3.4Å; E110-V112 PolarHBondContact O-N 2.95Å; E110-L115 HydrophobicContact CB-CD1 4.22Å; E110-L115 WeakPolarHBondContact OE2-CD1 3.39Å; E110-R118 IonicContact OE1-NH1 2.73Å; E110-R118 PolarHBondContact OE1-NH1 3.17Å; E110-R118 IonicContact OE2-NH1 3.52Å; E110-R118 PolarHBondContact OE2-NH1 3.45Å
111	D	81.2	Confident	82.2	Confident	108 Å²	108	116.5 Å²	116.5	58%	0.578	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-51.4	127.8	-179.2	-173.6	-6.7	0	0	0	108.9	V109 S113 L114 L115	V109-D111 PolarHBondContact O-N 3.01Å; D111-S113 PolarHBondContact O-N 3.46Å; D111-S113 PolarHBondContact OD1-N 3.01Å; D111-L114 HydrophobicContact CB-CB 4.49Å; D111-L114 WeakPolarHBondContact O-CB 3.39Å; D111-L114 PolarHBondContact O-N 3.36Å; D111-L115 PolarHBondContact O-N 3.13Å; D111-L115 VanDerWaalsContact O-N 3.11Å
112	V	86.5	Confident	81.9	Confident	105 Å²	105	119.5 Å²	119.5	64%	0.636	59%	0.586	S	S	*	*	H	α-helix	trans	-53.3	-33.7	-176.1	179.2	0	0	0	0	110.3	E110 L115 E116	E110-V112 PolarHBondContact O-N 2.95Å; V112-L115 WeakPolarHBondContact O-CB 3.39Å; V112-L115 PolarHBondContact O-N 3.09Å; V112-E116 WeakPolarHBondContact O-CB 3.16Å; V112-E116 PolarHBondContact O-N 3.24Å
113	S	85.2	Confident	81.8	Confident	78 Å²	78	122 Å²	122	55%	0.545	59%	0.592	S	S	.	*	H	α-helix	trans	-64.7	-39.6	175.9	-61.1	0	0	0	0	113.8	D111 L115 E116 Y117	D111-S113 PolarHBondContact O-N 3.46Å; D111-S113 PolarHBondContact OD1-N 3.01Å; S113-L115 VanDerWaalsContact C-N 3.32Å; S113-E116 PolarHBondContact O-N 3.01Å; S113-Y117 WeakPolarHBondContact O-CB 3.1Å; S113-Y117 PolarHBondContact O-N 3.34Å
114	L	88.5	Confident	81.4	Confident	90 Å²	90	116.9 Å²	116.9	47%	0.471	59%	0.587	S	S	.	*	H	α-helix	trans	-67.4	-38.6	174.5	179.7	63.9	0	0	0	110.6	D111 Y117 R118	D111-L114 HydrophobicContact CB-CB 4.49Å; D111-L114 WeakPolarHBondContact O-CB 3.39Å; D111-L114 PolarHBondContact O-N 3.36Å; L114-Y117 HydrophobicContact CD1-CD1 4.48Å; L114-Y117 PolarHBondContact O-N 2.83Å; L114-R118 VanDerWaalsContact O-CG 3.31Å; L114-R118 WeakPolarHBondContact O-CG 3.43Å; L114-R118 PolarHBondContact O-N 3.31Å
115	L	86.3	Confident	80.8	Confident	69 Å²	69	113.3 Å²	113.3	36%	0.361	58%	0.576	S	S	.	*	H	α-helix	trans	-63.4	-45.2	177.3	-141.9	74.3	0	0	0	111.1	E110 D111 V112 S113 Y117 R118 F119	E110-L115 HydrophobicContact CB-CD1 4.22Å; E110-L115 WeakPolarHBondContact OE2-CD1 3.39Å; D111-L115 PolarHBondContact O-N 3.13Å; D111-L115 VanDerWaalsContact O-N 3.11Å; V112-L115 WeakPolarHBondContact O-CB 3.39Å; V112-L115 PolarHBondContact O-N 3.09Å; S113-L115 VanDerWaalsContact C-N 3.32Å; L115-Y117 PolarHBondContact O-N 3.28Å; L115-R118 WeakPolarHBondContact O-CB 3.49Å; L115-R118 PolarHBondContact O-N 3.4Å; L115-F119 HydrophobicContact CD2-CE2 4.31Å; L115-F119 HydrophobicContact CG-CE2 4.19Å; L115-F119 WeakPolarHBondContact O-CD2 3.03Å; L115-F119 PolarHBondContact O-N 2.82Å
116	E	88.4	Confident	80.6	Confident	97 Å²	97	113 Å²	113	45%	0.453	58%	0.578	S	S	.	*	H	α-helix	trans	-61.8	-42.9	176.2	-168.8	179.5	170.7	0	0	111.9	V112 S113 R118 F119 R120	V112-E116 WeakPolarHBondContact O-CB 3.16Å; V112-E116 PolarHBondContact O-N 3.24Å; S113-E116 PolarHBondContact O-N 3.01Å; E116-R118 PolarHBondContact O-N 2.86Å; E116-F119 WeakPolarHBondContact O-CB 2.89Å; E116-F119 PolarHBondContact O-N 2.72Å; E116-F119 VanDerWaalsContact O-N 3.16Å; E116-R120 PolarHBondContact O-N 3.04Å; E116-R120 IonicContact OE1-CZ 3.32Å; E116-R120 IonicContact OE1-NE 2.83Å; E116-R120 IonicContact OE1-NH2 3.64Å; E116-R120 PolarHBondContact OE1-NH2 2.96Å
117	Y	87.9	Confident	80.2	Confident	111 Å²	111	111.1 Å²	111.1	44%	0.435	57%	0.57	S	S	.	*	H	α-helix	trans	-59	-45.2	174.2	175.7	-103.5	0	0	0	112.2	S113 L114 L115 F119 R120 Q121	S113-Y117 WeakPolarHBondContact O-CB 3.1Å; S113-Y117 PolarHBondContact O-N 3.34Å; L114-Y117 HydrophobicContact CD1-CD1 4.48Å; L114-Y117 PolarHBondContact O-N 2.83Å; L115-Y117 PolarHBondContact O-N 3.28Å; Y117-F119 VanDerWaalsContact C-N 3.3Å; Y117-F119 PolarHBondContact O-N 2.75Å; Y117-R120 PolarHBondContact O-N 3.47Å; Y117-R120 VanDerWaalsContact O-N 3.17Å; Y117-Q121 HydrophobicContact CE1-CG 4.12Å; Y117-Q121 HydrophobicContact CE2-CG 4.49Å; Y117-Q121 PolarHBondContact O-N 3.09Å; Y117-Q121 PolarHBondContact OH-NE2 3.28Å
118	R	90.2	Very high	79.2	Confident	119 Å²	119	113.4 Å²	113.4	45%	0.449	57%	0.573	S	S	.	*	H	α-helix	trans	-60.3	-39	174.7	-70.8	171.9	69.7	179.3	5.9	111.8	E110 L114 L115 E116 Q121 L122	E110-R118 IonicContact OE1-NH1 2.73Å; E110-R118 PolarHBondContact OE1-NH1 3.17Å; E110-R118 IonicContact OE2-NH1 3.52Å; E110-R118 PolarHBondContact OE2-NH1 3.45Å; L114-R118 VanDerWaalsContact O-CG 3.31Å; L114-R118 WeakPolarHBondContact O-CG 3.43Å; L114-R118 PolarHBondContact O-N 3.31Å; L115-R118 WeakPolarHBondContact O-CB 3.49Å; L115-R118 PolarHBondContact O-N 3.4Å; E116-R118 PolarHBondContact O-N 2.86Å; R118-Q121 PolarHBondContact O-N 3.46Å; R118-L122 WeakPolarHBondContact O-CG 3.49Å; R118-L122 PolarHBondContact O-N 3.39Å
119	F	85.7	Confident	78.1	Confident	120 Å²	120	112.7 Å²	112.7	53%	0.526	57%	0.569	S	S	.	*	H	α-helix	trans	-65	-38.9	174.7	-82.2	-66.2	0	0	0	112.8	L115 E116 Y117 L122 K123	L115-F119 HydrophobicContact CD2-CE2 4.31Å; L115-F119 HydrophobicContact CG-CE2 4.19Å; L115-F119 WeakPolarHBondContact O-CD2 3.03Å; L115-F119 PolarHBondContact O-N 2.82Å; E116-F119 WeakPolarHBondContact O-CB 2.89Å; E116-F119 PolarHBondContact O-N 2.72Å; E116-F119 VanDerWaalsContact O-N 3.16Å; Y117-F119 VanDerWaalsContact C-N 3.3Å; Y117-F119 PolarHBondContact O-N 2.75Å; F119-L122 PolarHBondContact O-N 3.45Å; F119-K123 WeakPolarHBondContact O-CB 3.46Å; F119-K123 WeakPolarHBondContact O-CG 3.35Å; F119-K123 PolarHBondContact O-N 3.41Å
120	R	89.1	Confident	77.1	Confident	88 Å²	88	112.9 Å²	112.9	33%	0.332	57%	0.573	S	S	.	*	H	α-helix	trans	-64	-44.3	174.9	-67.9	-175.8	-162.4	174.3	5.6	111.3	E116 Y117 L122 K123 G124 L125 E127	E116-R120 PolarHBondContact O-N 3.04Å; E116-R120 IonicContact OE1-CZ 3.32Å; E116-R120 IonicContact OE1-NE 2.83Å; E116-R120 IonicContact OE1-NH2 3.64Å; E116-R120 PolarHBondContact OE1-NH2 2.96Å; Y117-R120 PolarHBondContact O-N 3.47Å; Y117-R120 VanDerWaalsContact O-N 3.17Å; R120-L122 PolarHBondContact O-N 3.24Å; R120-K123 PolarHBondContact O-N 2.99Å; R120-G124 PolarHBondContact O-N 3Å; R120-L125 HydrophobicContact CB-CB 4.44Å; R120-L125 PolarHBondContact O-N 3Å; R120-E127 WeakPolarHBondContact CD-OE1 3.4Å; R120-E127 IonicContact CZ-OE1 3.54Å; R120-E127 IonicContact NE-OE1 3.69Å; R120-E127 VanDerWaalsContact NH1-CD 3.27Å; R120-E127 IonicContact NH1-OE1 2.64Å; R120-E127 PolarHBondContact NH1-OE1 3.48Å; R120-E127 IonicContact NH1-OE2 3.32Å; R120-E127 PolarHBondContact NH1-OE2 3.2Å
121	Q	89.3	Confident	75.3	Confident	108 Å²	108	111.7 Å²	111.7	51%	0.505	58%	0.58	S	S	.	*	H	α-helix	trans	-59.4	-45.9	174.6	-72.1	-165	-9.5	0	0	112.6	Y117 R118 K123 G124	Y117-Q121 HydrophobicContact CE1-CG 4.12Å; Y117-Q121 HydrophobicContact CE2-CG 4.49Å; Y117-Q121 PolarHBondContact O-N 3.09Å; Y117-Q121 PolarHBondContact OH-NE2 3.28Å; R118-Q121 PolarHBondContact O-N 3.46Å; Q121-K123 VanDerWaalsContact C-N 3.27Å; Q121-K123 PolarHBondContact O-N 3.07Å; Q121-G124 PolarHBondContact O-N 2.86Å
122	L	85.2	Confident	73.2	Confident	147 Å²	147	111.7 Å²	111.7	77%	0.77	59%	0.588	S	S	*	*	H	α-helix	trans	-65.2	-30.2	178	-75.9	171	0	0	0	113	R118 F119 R120 G124	R118-L122 WeakPolarHBondContact O-CG 3.49Å; R118-L122 PolarHBondContact O-N 3.39Å; F119-L122 PolarHBondContact O-N 3.45Å; R120-L122 PolarHBondContact O-N 3.24Å; L122-G124 PolarHBondContact O-N 3.26Å
123	K	85.6	Confident	71	Confident	160 Å²	160	111.3 Å²	111.3	70%	0.696	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	-2.9	172.4	-73.3	-177.3	177.1	-175.6	0	113.5	F119 R120 Q121 L125	F119-K123 WeakPolarHBondContact O-CB 3.46Å; F119-K123 WeakPolarHBondContact O-CG 3.35Å; F119-K123 PolarHBondContact O-N 3.41Å; R120-K123 PolarHBondContact O-N 2.99Å; Q121-K123 VanDerWaalsContact C-N 3.27Å; Q121-K123 PolarHBondContact O-N 3.07Å; K123-L125 HydrophobicContact CB-CD1 4.25Å; K123-L125 HydrophobicContact CB-CG 4.26Å; K123-L125 PolarHBondContact O-N 3.5Å
124	G	76.5	Confident	69	Low	60 Å²	60	114.7 Å²	114.7	62%	0.619	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	71.6	16.1	-176	0	0	0	0	0	114.1	R120 Q121 L122 T126	R120-G124 PolarHBondContact O-N 3Å; Q121-G124 PolarHBondContact O-N 2.86Å; L122-G124 PolarHBondContact O-N 3.26Å; G124-T126 PolarHBondContact O-N 3.33Å
125	L	70.2	Confident	67	Low	107 Å²	107	118.6 Å²	118.6	56%	0.56	62%	0.619	S	S	*	*			trans	-90.8	87.6	175.5	-63.5	171.7	0	0	0	108.1	R120 K123	R120-L125 HydrophobicContact CB-CB 4.44Å; R120-L125 PolarHBondContact O-N 3Å; K123-L125 HydrophobicContact CB-CD1 4.25Å; K123-L125 HydrophobicContact CB-CG 4.26Å; K123-L125 PolarHBondContact O-N 3.5Å
126	T	67	Low	65.3	Low	113 Å²	113	118.9 Å²	118.9	69%	0.693	63%	0.627	S	S	*	*			trans	-70.8	134.8	167.6	43.5	0	0	0	0	109.6	G124 E128	G124-T126 PolarHBondContact O-N 3.33Å; T126-E128 PolarHBondContact O-N 2.79Å
127	E	59.5	Low	63.5	Low	114 Å²	114	119.8 Å²	119.8	53%	0.533	64%	0.644	S	S	.	*	S	Bend	trans	-63.7	30.8	-178.3	-71.6	-75.9	121.8	0	0	115.4	R120 K129	R120-E127 WeakPolarHBondContact CD-OE1 3.4Å; R120-E127 IonicContact CZ-OE1 3.54Å; R120-E127 IonicContact NE-OE1 3.69Å; R120-E127 VanDerWaalsContact NH1-CD 3.27Å; R120-E127 IonicContact NH1-OE1 2.64Å; R120-E127 PolarHBondContact NH1-OE1 3.48Å; R120-E127 IonicContact NH1-OE2 3.32Å; R120-E127 PolarHBondContact NH1-OE2 3.2Å; E127-K129 PolarHBondContact O-N 3.25Å
128	E	50.2	Low	62	Low	167 Å²	167	119.3 Å²	119.3	78%	0.78	65%	0.648	S	S	*	*			trans	-73.4	89.6	157.5	-65.8	-62.6	155.7	0	0	106.6	T126 P130	T126-E128 PolarHBondContact O-N 2.79Å; E128-P130 WeakPolarHBondContact O-CD 3.41Å; E128-P130 VanDerWaalsContact O-N 3.09Å
129	K	46.9	Very low	60.9	Low	181 Å²	181	117.1 Å²	117.1	79%	0.787	65%	0.65	S	S	*	*			trans	-26.1	111.8	166.7	177.1	173.5	-176.2	161	0	110.7	E127 A131	E127-K129 PolarHBondContact O-N 3.25Å; K129-A131 PolarHBondContact O-N 2.94Å
130	P	46.1	Very low	60.4	Low	131 Å²	131	119.9 Å²	119.9	85%	0.851	66%	0.661	S	S	*	*			trans	-77	75	179.7	29.8	-31.9	0	0	0	108.9	E128 S132	E128-P130 WeakPolarHBondContact O-CD 3.41Å; E128-P130 VanDerWaalsContact O-N 3.09Å; P130-S132 VanDerWaalsContact C-N 3.28Å; P130-S132 PolarHBondContact O-N 3.16Å
131	A	35.8	Very low	59.8	Low	72 Å²	72	118.7 Å²	118.7	60%	0.595	67%	0.67	S	S	*	*			trans	-78.5	87.9	157.9	0	0	0	0	0	106.8	K129	K129-A131 PolarHBondContact O-N 2.94Å
132	S	37	Very low	59.6	Low	108 Å²	108	117.5 Å²	117.5	76%	0.755	67%	0.667	S	S	*	*	S	Bend	trans	61	154.6	164.2	51.6	0	0	0	0	117.7	P130	P130-S132 VanDerWaalsContact C-N 3.28Å; P130-S132 PolarHBondContact O-N 3.16Å
133	S	41.2	Very low	59.8	Low	97 Å²	97	116.3 Å²	116.3	68%	0.678	66%	0.658	S	S	*	*			trans	69.5	128.5	174	-77.9	0	0	0	0	115
134	E	43	Very low	60	Low	149 Å²	149	112.7 Å²	112.7	70%	0.696	65%	0.649	S	S	*	*			cis	-161.3	140.6	6.5	-104.9	144.2	-147.1	0	0	103.4	S136	E134-S136 PolarHBondContact O-N 3.44Å
135	N	46.3	Very low	60.7	Low	172 Å²	172	113.1 Å²	113.1	92%	0.92	64%	0.643	S	S	*	*			trans	-64.2	77.4	147.2	-69.2	-34.1	0	0	0	104.9	S137	N135-S137 PolarHBondContact O-N 3.43Å
136	S	50.7	Low	61.7	Low	75 Å²	75	114.4 Å²	114.4	52%	0.524	64%	0.644	S	S	.	*			trans	-61	110.6	-179.3	53.7	0	0	0	0	104.2	E134 L138	E134-S136 PolarHBondContact O-N 3.44Å; S136-L138 PolarHBondContact O-N 3.39Å
137	S	50.7	Low	63	Low	117 Å²	117	112.5 Å²	112.5	82%	0.818	63%	0.628	S	S	*	*			trans	-53	74.5	168.2	42.6	0	0	0	0	108.7	N135	N135-S137 PolarHBondContact O-N 3.43Å
138	L	56.7	Low	64.7	Low	101 Å²	101	110.2 Å²	110.2	53%	0.529	62%	0.622	S	S	.	*			trans	-56.4	135.7	161	-85.4	157.6	0	0	0	105.5	S136 K140 D142	S136-L138 PolarHBondContact O-N 3.39Å; L138-K140 PolarHBondContact O-N 3.46Å; L138-D142 HydrophobicContact CD2-CB 4.29Å
139	P	65.9	Low	66.8	Low	73 Å²	73	107.7 Å²	107.7	47%	0.474	61%	0.61	S	S	.	*			trans	-53.7	136.4	178.8	24.5	-32.2	0	0	0	107.4	A141 D142 Q143	P139-A141 PolarHBondContact O-N 3.23Å; P139-D142 WeakPolarHBondContact CD-OD2 3.24Å; P139-D142 HydrophobicContact CG-CB 4.16Å; P139-D142 VanDerWaalsContact CG-OD2 3.24Å; P139-D142 WeakPolarHBondContact CG-OD2 3.43Å; P139-D142 PolarHBondContact O-N 3.28Å; P139-Q143 PolarHBondContact O-N 2.83Å
140	K	75.9	Confident	69	Low	178 Å²	178	106.2 Å²	106.2	77%	0.774	60%	0.6	S	S	*	*	H	α-helix	trans	-48.7	-29.1	-175.4	-64	178.5	-179.9	176.6	0	112.2	L138 Q143 V144	L138-K140 PolarHBondContact O-N 3.46Å; K140-Q143 PolarHBondContact O-N 2.89Å; K140-V144 VanDerWaalsContact O-CG2 3.26Å; K140-V144 WeakPolarHBondContact O-CG2 3.25Å; K140-V144 PolarHBondContact O-N 3.39Å
141	A	76.2	Confident	71.3	Confident	63 Å²	63	107.4 Å²	107.4	52%	0.521	59%	0.588	S	S	.	*	H	α-helix	trans	-61	-42.5	174.3	0	0	0	0	0	114.3	P139 Q143 V144 S145	P139-A141 PolarHBondContact O-N 3.23Å; A141-Q143 VanDerWaalsContact C-N 3.34Å; A141-V144 PolarHBondContact O-N 2.83Å; A141-S145 WeakPolarHBondContact O-CB 3.42Å; A141-S145 PolarHBondContact O-N 3.25Å; A141-S145 PolarHBondContact O-OG 2.67Å
142	D	85	Confident	74.1	Confident	83 Å²	83	109.5 Å²	109.5	44%	0.444	59%	0.587	S	S	.	*	H	α-helix	trans	-70.6	-36.4	178.8	-69.7	-7.1	0	0	0	110.6	L138 P139 S145 K146	L138-D142 HydrophobicContact CD2-CB 4.29Å; P139-D142 WeakPolarHBondContact CD-OD2 3.24Å; P139-D142 HydrophobicContact CG-CB 4.16Å; P139-D142 VanDerWaalsContact CG-OD2 3.24Å; P139-D142 WeakPolarHBondContact CG-OD2 3.43Å; P139-D142 PolarHBondContact O-N 3.28Å; D142-S145 PolarHBondContact O-N 3.19Å; D142-K146 VanDerWaalsContact O-CB 3.31Å; D142-K146 WeakPolarHBondContact O-CB 3.44Å; D142-K146 PolarHBondContact O-N 2.97Å
143	Q	88.8	Confident	76.9	Confident	122 Å²	122	109.3 Å²	109.3	57%	0.57	57%	0.574	S	S	*	*	H	α-helix	trans	-64.5	-44.1	174.9	-168.6	175.8	35.5	0	0	111.3	P139 K140 A141 I147	P139-Q143 PolarHBondContact O-N 2.83Å; K140-Q143 PolarHBondContact O-N 2.89Å; A141-Q143 VanDerWaalsContact C-N 3.34Å; Q143-I147 HydrophobicContact CG-CD1 4.33Å; Q143-I147 WeakPolarHBondContact O-CD1 3.39Å; Q143-I147 WeakPolarHBondContact O-CG1 3.43Å; Q143-I147 PolarHBondContact O-N 3.34Å
144	V	91	Very high	79.3	Confident	84 Å²	84	109.2 Å²	109.2	51%	0.509	56%	0.563	S	S	.	*	H	α-helix	trans	-64.6	-43.9	175.3	173	0	0	0	0	110.9	K140 A141 K146 I147 V148	K140-V144 VanDerWaalsContact O-CG2 3.26Å; K140-V144 WeakPolarHBondContact O-CG2 3.25Å; K140-V144 PolarHBondContact O-N 3.39Å; A141-V144 PolarHBondContact O-N 2.83Å; V144-K146 VanDerWaalsContact C-N 3.34Å; V144-K146 PolarHBondContact O-N 3.4Å; V144-I147 WeakPolarHBondContact O-CB 3.35Å; V144-I147 PolarHBondContact O-N 2.84Å; V144-I147 VanDerWaalsContact O-N 3.14Å; V144-V148 HydrophobicContact CG1-CG2 4.39Å; V144-V148 WeakPolarHBondContact O-CG2 3.42Å; V144-V148 PolarHBondContact O-N 3.06Å
145	S	91	Very high	81.6	Confident	69 Å²	69	104.9 Å²	104.9	48%	0.483	55%	0.553	S	S	.	*	H	α-helix	trans	-60.5	-44.1	178.7	-58.2	0	0	0	0	111.6	A141 D142 I147 V148 E149	A141-S145 WeakPolarHBondContact O-CB 3.42Å; A141-S145 PolarHBondContact O-N 3.25Å; A141-S145 PolarHBondContact O-OG 2.67Å; D142-S145 PolarHBondContact O-N 3.19Å; S145-I147 VanDerWaalsContact C-N 3.31Å; S145-I147 PolarHBondContact O-N 2.83Å; S145-V148 PolarHBondContact O-N 2.92Å; S145-E149 WeakPolarHBondContact O-CB 3.35Å; S145-E149 PolarHBondContact O-N 2.69Å
146	K	91.8	Very high	83.8	Confident	134 Å²	134	103 Å²	103	58%	0.583	54%	0.539	S	S	*	.	H	α-helix	trans	-64.8	-33.1	175.9	-171.2	171.9	-173.5	172	0	113	D142 V144 R150	D142-K146 VanDerWaalsContact O-CB 3.31Å; D142-K146 WeakPolarHBondContact O-CB 3.44Å; D142-K146 PolarHBondContact O-N 2.97Å; V144-K146 VanDerWaalsContact C-N 3.34Å; V144-K146 PolarHBondContact O-N 3.4Å; K146-R150 PolarHBondContact O-N 2.87Å
147	I	93.8	Very high	85.4	Confident	73 Å²	73	104.1 Å²	104.1	37%	0.374	54%	0.538	S	S	.	.	H	α-helix	trans	-66.5	-49	172.7	-70.5	163.5	0	0	0	109.4	Q143 V144 S145 E149 R150 Y151	Q143-I147 HydrophobicContact CG-CD1 4.33Å; Q143-I147 WeakPolarHBondContact O-CD1 3.39Å; Q143-I147 WeakPolarHBondContact O-CG1 3.43Å; Q143-I147 PolarHBondContact O-N 3.34Å; V144-I147 WeakPolarHBondContact O-CB 3.35Å; V144-I147 PolarHBondContact O-N 2.84Å; V144-I147 VanDerWaalsContact O-N 3.14Å; S145-I147 VanDerWaalsContact C-N 3.31Å; S145-I147 PolarHBondContact O-N 2.83Å; I147-E149 PolarHBondContact O-N 2.87Å; I147-R150 WeakPolarHBondContact O-CB 3.36Å; I147-R150 PolarHBondContact O-N 2.9Å; I147-Y151 HydrophobicContact CG2-CD2 3.79Å; I147-Y151 HydrophobicContact CG2-CE2 3.73Å; I147-Y151 VanDerWaalsContact O-CD2 3.29Å; I147-Y151 WeakPolarHBondContact O-CD2 3.43Å; I147-Y151 PolarHBondContact O-N 3.32Å; I147-Y151 VanDerWaalsContact O-N 3.11Å
148	V	94.9	Very high	87.1	Confident	66 Å²	66	103.4 Å²	103.4	40%	0.4	52%	0.524	S	S	.	.	H	α-helix	trans	-59.8	-44.7	179.6	172.3	0	0	0	0	111.6	V144 S145 R150 Y151 M152	V144-V148 HydrophobicContact CG1-CG2 4.39Å; V144-V148 WeakPolarHBondContact O-CG2 3.42Å; V144-V148 PolarHBondContact O-N 3.06Å; S145-V148 PolarHBondContact O-N 2.92Å; V148-R150 PolarHBondContact O-N 2.85Å; V148-Y151 PolarHBondContact O-N 3.12Å; V148-M152 HydrophobicContact CG1-CE 3.54Å; V148-M152 HydrophobicContact CG1-SD 4.34Å; V148-M152 WeakPolarHBondContact O-CG 3.5Å; V148-M152 PolarHBondContact O-N 3.32Å
149	E	94.1	Very high	88.5	Confident	113 Å²	113	102.8 Å²	102.8	53%	0.528	53%	0.534	S	S	.	.	H	α-helix	trans	-58.1	-47.5	176.7	-175.5	174.5	-149.9	0	0	111.7	S145 I147 Y151 M152 E153	S145-E149 WeakPolarHBondContact O-CB 3.35Å; S145-E149 PolarHBondContact O-N 2.69Å; I147-E149 PolarHBondContact O-N 2.87Å; E149-Y151 VanDerWaalsContact C-N 3.33Å; E149-Y151 PolarHBondContact O-N 2.76Å; E149-M152 PolarHBondContact O-N 3.08Å; E149-M152 VanDerWaalsContact O-N 3.09Å; E149-E153 WeakPolarHBondContact O-CG 3.08Å; E149-E153 PolarHBondContact O-N 3.1Å
150	R	93.4	Very high	89.5	Confident	151 Å²	151	108.1 Å²	108.1	57%	0.57	55%	0.55	S	S	*	.	H	α-helix	trans	-56.8	-44.5	175.7	-174.6	-169.3	-59.7	163.4	0.8	112.4	K146 I147 V148 M152 E153 E154	K146-R150 PolarHBondContact O-N 2.87Å; I147-R150 WeakPolarHBondContact O-CB 3.36Å; I147-R150 PolarHBondContact O-N 2.9Å; V148-R150 PolarHBondContact O-N 2.85Å; R150-M152 VanDerWaalsContact C-N 3.31Å; R150-M152 PolarHBondContact O-N 2.73Å; R150-E153 PolarHBondContact O-N 2.92Å; R150-E154 WeakPolarHBondContact O-CB 3.17Å; R150-E154 PolarHBondContact O-N 3.36Å
151	Y	95.1	Very high	89.8	Confident	156 Å²	156	103.5 Å²	103.5	61%	0.612	54%	0.539	S	S	*	.	H	α-helix	trans	-64.8	-34.9	178	-88.5	-78.7	0	0	0	112.3	I147 V148 E149 A155	I147-Y151 HydrophobicContact CG2-CD2 3.79Å; I147-Y151 HydrophobicContact CG2-CE2 3.73Å; I147-Y151 VanDerWaalsContact O-CD2 3.29Å; I147-Y151 WeakPolarHBondContact O-CD2 3.43Å; I147-Y151 PolarHBondContact O-N 3.32Å; I147-Y151 VanDerWaalsContact O-N 3.11Å; V148-Y151 PolarHBondContact O-N 3.12Å; E149-Y151 VanDerWaalsContact C-N 3.33Å; E149-Y151 PolarHBondContact O-N 2.76Å; Y151-A155 WeakPolarHBondContact O-CB 3.35Å; Y151-A155 PolarHBondContact O-N 3.45Å
152	M	94.8	Very high	89.3	Confident	116 Å²	116	103.2 Å²	103.2	57%	0.571	54%	0.542	S	S	*	.	H	α-helix	trans	-70.2	-40.1	175.7	-69.5	-179	-177.7	0	0	111.9	V148 E149 R150 A155 Q156	V148-M152 HydrophobicContact CG1-CE 3.54Å; V148-M152 HydrophobicContact CG1-SD 4.34Å; V148-M152 WeakPolarHBondContact O-CG 3.5Å; V148-M152 PolarHBondContact O-N 3.32Å; E149-M152 PolarHBondContact O-N 3.08Å; E149-M152 VanDerWaalsContact O-N 3.09Å; R150-M152 VanDerWaalsContact C-N 3.31Å; R150-M152 PolarHBondContact O-N 2.73Å; M152-A155 PolarHBondContact O-N 2.95Å; M152-Q156 VanDerWaalsContact O-CG 3.3Å; M152-Q156 WeakPolarHBondContact O-CG 3.26Å; M152-Q156 PolarHBondContact O-N 2.82Å
153	E	94.6	Very high	88.3	Confident	104 Å²	104	104.3 Å²	104.3	49%	0.486	55%	0.552	S	S	.	*	H	α-helix	trans	-63.7	-43.5	173.5	-69.8	178.5	165.8	0	0	111.5	E149 R150 Q156 I157	E149-E153 WeakPolarHBondContact O-CG 3.08Å; E149-E153 PolarHBondContact O-N 3.1Å; R150-E153 PolarHBondContact O-N 2.92Å; E153-Q156 WeakPolarHBondContact O-CB 3.32Å; E153-Q156 PolarHBondContact O-N 3.47Å; E153-I157 VanDerWaalsContact O-CG1 3.27Å; E153-I157 WeakPolarHBondContact O-CG1 3.22Å; E153-I157 PolarHBondContact O-N 2.78Å
154	E	92	Very high	87.1	Confident	95 Å²	95	104.8 Å²	104.8	44%	0.444	56%	0.558	S	S	.	*	H	α-helix	trans	-59.4	-48.1	174.7	-173.7	172.1	-170.7	0	0	110.9	R150 Q156 I157 D158	R150-E154 WeakPolarHBondContact O-CB 3.17Å; R150-E154 PolarHBondContact O-N 3.36Å; E154-Q156 VanDerWaalsContact C-N 3.29Å; E154-Q156 PolarHBondContact O-N 3.44Å; E154-I157 CarbonylContact O-C 3.56Å; E154-I157 WeakPolarHBondContact O-CB 3.27Å; E154-I157 PolarHBondContact O-N 3.26Å; E154-I157 VanDerWaalsContact O-N 3.1Å; E154-D158 VanDerWaalsContact O-CG 3.24Å; E154-D158 PolarHBondContact O-N 3.48Å
155	A	90.8	Very high	85.5	Confident	57 Å²	57	108.8 Å²	108.8	47%	0.471	57%	0.569	S	S	.	*	H	α-helix	trans	-62.1	-33.8	175.8	0	0	0	0	0	113.3	Y151 M152 A159	Y151-A155 WeakPolarHBondContact O-CB 3.35Å; Y151-A155 PolarHBondContact O-N 3.45Å; M152-A155 PolarHBondContact O-N 2.95Å; A155-A159 WeakPolarHBondContact O-CB 3.43Å; A155-A159 PolarHBondContact O-N 2.98Å
156	Q	92.4	Very high	83.8	Confident	134 Å²	134	107.6 Å²	107.6	63%	0.626	57%	0.567	S	S	*	*	H	α-helix	trans	-69.8	-41.2	173.3	-75.3	176.6	33.6	0	0	111.9	M152 E153 E154 D158 A159 K160	M152-Q156 VanDerWaalsContact O-CG 3.3Å; M152-Q156 WeakPolarHBondContact O-CG 3.26Å; M152-Q156 PolarHBondContact O-N 2.82Å; E153-Q156 WeakPolarHBondContact O-CB 3.32Å; E153-Q156 PolarHBondContact O-N 3.47Å; E154-Q156 VanDerWaalsContact C-N 3.29Å; E154-Q156 PolarHBondContact O-N 3.44Å; Q156-D158 VanDerWaalsContact C-N 3.34Å; Q156-A159 PolarHBondContact O-N 2.99Å; Q156-K160 VanDerWaalsContact O-CB 3.25Å; Q156-K160 WeakPolarHBondContact O-CB 3.35Å; Q156-K160 PolarHBondContact O-N 2.85Å
157	I	85	Confident	82.2	Confident	98 Å²	98	108.8 Å²	108.8	50%	0.503	58%	0.579	S	S	.	*	H	α-helix	trans	-62.3	-45.4	174.2	-68.6	165.4	0	0	0	109.1	E153 E154 A159 K160 C161	E153-I157 VanDerWaalsContact O-CG1 3.27Å; E153-I157 WeakPolarHBondContact O-CG1 3.22Å; E153-I157 PolarHBondContact O-N 2.78Å; E154-I157 CarbonylContact O-C 3.56Å; E154-I157 WeakPolarHBondContact O-CB 3.27Å; E154-I157 PolarHBondContact O-N 3.26Å; E154-I157 VanDerWaalsContact O-N 3.1Å; I157-A159 PolarHBondContact O-N 2.83Å; I157-K160 CarbonylContact O-C 3.59Å; I157-K160 PolarHBondContact O-N 3.1Å; I157-K160 VanDerWaalsContact O-N 3.1Å; I157-C161 HydrophobicContact CG2-CB 4.42Å; I157-C161 WeakPolarHBondContact O-CA 3.48Å; I157-C161 WeakPolarHBondContact O-CB 3.48Å; I157-C161 PolarHBondContact O-N 3.3Å; I157-C161 PolarHBondContact O-SG 3.19Å
158	D	85.7	Confident	80.3	Confident	101 Å²	101	112.3 Å²	112.3	54%	0.54	60%	0.599	S	S	.	*	H	α-helix	trans	-60.7	-45.1	177.8	-68.6	-19	0	0	0	111.4	E154 Q156 K160 G162	E154-D158 VanDerWaalsContact O-CG 3.24Å; E154-D158 PolarHBondContact O-N 3.48Å; Q156-D158 VanDerWaalsContact C-N 3.34Å; D158-K160 VanDerWaalsContact C-N 3.28Å; D158-K160 PolarHBondContact O-N 3.2Å; D158-G162 WeakPolarHBondContact O-CA 3.46Å; D158-G162 PolarHBondContact O-N 2.89Å
159	A	86.7	Confident	78.3	Confident	89 Å²	89	116.9 Å²	116.9	74%	0.736	62%	0.621	S	S	*	*	H	α-helix	trans	-63.6	-32.9	175.2	0	0	0	0	0	112.9	A155 Q156 I157	A155-A159 WeakPolarHBondContact O-CB 3.43Å; A155-A159 PolarHBondContact O-N 2.98Å; Q156-A159 PolarHBondContact O-N 2.99Å; I157-A159 PolarHBondContact O-N 2.83Å
160	K	87.8	Confident	76.2	Confident	184 Å²	184	116.5 Å²	116.5	80%	0.8	62%	0.623	S	S	*	*	H	α-helix	trans	-84.1	-42.5	-178.2	-172.8	64.8	174.2	-171.5	0	113	Q156 I157 D158	Q156-K160 VanDerWaalsContact O-CB 3.25Å; Q156-K160 WeakPolarHBondContact O-CB 3.35Å; Q156-K160 PolarHBondContact O-N 2.85Å; I157-K160 CarbonylContact O-C 3.59Å; I157-K160 PolarHBondContact O-N 3.1Å; I157-K160 VanDerWaalsContact O-N 3.1Å; D158-K160 VanDerWaalsContact C-N 3.28Å; D158-K160 PolarHBondContact O-N 3.2Å
161	C	81.4	Confident	74.5	Confident	81 Å²	81	115 Å²	115	55%	0.547	63%	0.633	S	S	.	*	H	α-helix	trans	-80.9	-25.3	-177.1	-70.7	0	0	0	0	111.2	I157 V163	I157-C161 HydrophobicContact CG2-CB 4.42Å; I157-C161 WeakPolarHBondContact O-CA 3.48Å; I157-C161 WeakPolarHBondContact O-CB 3.48Å; I157-C161 PolarHBondContact O-N 3.3Å; I157-C161 PolarHBondContact O-SG 3.19Å; C161-V163 HydrophobicContact CB-CG2 4.32Å; C161-V163 PolarHBondContact O-N 2.87Å
162	G	65.8	Low	72.7	Confident	57 Å²	57	112 Å²	112	59%	0.588	63%	0.631	S	S	*	*			trans	45.7	29.6	162.6	0	0	0	0	0	114.7	D158 D164	D158-G162 WeakPolarHBondContact O-CA 3.46Å; D158-G162 PolarHBondContact O-N 2.89Å; G162-D164 PolarHBondContact O-N 2.97Å; G162-D164 VanDerWaalsContact O-N 3.08Å
163	V	63.7	Low	70.7	Confident	106 Å²	106	112 Å²	112	64%	0.642	64%	0.636	S	S	*	*			trans	-84.6	82.1	169.7	-108.8	0	0	0	0	104.5	C161 F165	C161-V163 HydrophobicContact CB-CG2 4.32Å; C161-V163 PolarHBondContact O-N 2.87Å; V163-F165 HydrophobicContact CB-CE2 4.46Å; V163-F165 PolarHBondContact O-N 3.25Å
164	D	64.4	Low	68.8	Low	132 Å²	132	115 Å²	115	71%	0.706	65%	0.653	S	S	*	*			trans	-57.8	95	156.5	-176.8	35.5	0	0	0	106.2	G162 G166	G162-D164 PolarHBondContact O-N 2.97Å; G162-D164 VanDerWaalsContact O-N 3.08Å; D164-G166 PolarHBondContact O-N 3.31Å
165	F	56.9	Low	67.2	Low	169 Å²	169	118.8 Å²	118.8	74%	0.741	67%	0.67	S	S	*	*			trans	-68.3	80.4	154.1	-68.1	-78	0	0	0	104.3	V163 L167	V163-F165 HydrophobicContact CB-CE2 4.46Å; V163-F165 PolarHBondContact O-N 3.25Å; F165-L167 VanDerWaalsContact C-N 3.27Å; F165-L167 PolarHBondContact O-N 3.47Å
166	G	54.5	Low	66.2	Low	43 Å²	43	123.6 Å²	123.6	44%	0.443	69%	0.688	S	S	.	*			trans	-52.5	98.7	176.3	0	0	0	0	0	107.7	D164 D168	D164-G166 PolarHBondContact O-N 3.31Å; G166-D168 PolarHBondContact O-N 2.96Å
167	L	57.6	Low	65.5	Low	160 Å²	160	119.2 Å²	119.2	84%	0.838	67%	0.672	S	S	*	*			trans	-86.3	34.2	164.7	-65.1	179.5	0	0	0	108.4	F165 D169	F165-L167 VanDerWaalsContact C-N 3.27Å; F165-L167 PolarHBondContact O-N 3.47Å; L167-D169 PolarHBondContact O-N 3.17Å; L167-D169 VanDerWaalsContact O-N 3.12Å
168	D	54.7	Low	65.5	Low	147 Å²	147	116 Å²	116	79%	0.786	66%	0.658	S	S	*	*			trans	-69.4	104.7	159	-77.5	-40	0	0	0	106.3	G166 D170	G166-D168 PolarHBondContact O-N 2.96Å; D168-D170 PolarHBondContact O-N 3.39Å
169	D	52.4	Low	65.7	Low	162 Å²	162	115.6 Å²	115.6	87%	0.866	66%	0.663	S	S	*	*			trans	-39.6	91	166.8	-81.6	-56.2	0	0	0	112.1	L167	L167-D169 PolarHBondContact O-N 3.17Å; L167-D169 VanDerWaalsContact O-N 3.12Å
170	D	51.2	Low	66.1	Low	105 Å²	105	111.6 Å²	111.6	56%	0.561	63%	0.63	S	S	*	*			trans	-108.8	100.3	141.6	-167.9	-4	0	0	0	107.8	D168 T172	D168-D170 PolarHBondContact O-N 3.39Å; D170-T172 PolarHBondContact O-N 3Å; D170-T172 PolarHBondContact OD1-N 3.48Å; D170-T172 PolarHBondContact OD1-OG1 3.39Å
171	P	57.3	Low	66.3	Low	120 Å²	120	110.6 Å²	110.6	78%	0.779	62%	0.622	S	S	*	*			trans	-67.4	10.3	173.3	27.6	-31.4	0	0	0	112.8
172	T	57.5	Low	66.8	Low	93 Å²	93	111.4 Å²	111.4	57%	0.571	62%	0.619	S	S	*	*			trans	-125	108	169.4	54.4	0	0	0	0	110.2	D170	D170-T172 PolarHBondContact O-N 3Å; D170-T172 PolarHBondContact OD1-N 3.48Å; D170-T172 PolarHBondContact OD1-OG1 3.39Å
173	V	52.3	Low	68.1	Low	114 Å²	114	110.9 Å²	110.9	69%	0.691	61%	0.606	S	S	*	*			trans	161.1	83.3	142.2	170	0	0	0	0	110.1	E175	V173-E175 PolarHBondContact O-N 3.02Å
174	M	55.7	Low	69.3	Low	168 Å²	168	115.7 Å²	115.7	83%	0.828	62%	0.621	S	S	*	*				53	7.6	129.7	-139.3	176.4	-61.3	0	0	123.3	N176	M174-N176 VanDerWaalsContact C-N 3.27Å; M174-N176 PolarHBondContact O-N 3.49Å
175	E	58.4	Low	70.6	Confident	174 Å²	174	110.7 Å²	110.7	81%	0.813	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	-13.9	-179	-72.8	-83	137.8	0	0	114.8	V173 S177	V173-E175 PolarHBondContact O-N 3.02Å; E175-S177 PolarHBondContact O-N 2.98Å
176	N	69.7	Low	72.2	Confident	159 Å²	159	106.5 Å²	106.5	85%	0.85	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.3	14.2	179.2	-85.6	25.5	0	0	0	115	M174	M174-N176 VanDerWaalsContact C-N 3.27Å; M174-N176 PolarHBondContact O-N 3.49Å
177	S	76.3	Confident	74	Confident	41 Å²	41	104.6 Å²	104.6	29%	0.287	57%	0.569	S	S	.	*	P	Polyproline II helix	trans	-66.3	126.5	175.4	60.2	0	0	0	0	110.1	E175 V186	E175-S177 PolarHBondContact O-N 2.98Å; S177-V186 WeakPolarHBondContact OG-CG1 3.34Å
178	P	86.2	Confident	75.6	Confident	32 Å²	32	100.5 Å²	100.5	21%	0.208	55%	0.545	C	S	.	.	P	Polyproline II helix	trans	-58.7	145.7	-175.3	21.3	-31.5	0	0	0	110.7	A187 N197 C220	P178-A187 HydrophobicContact CB-CB 4.4Å; P178-A187 HydrophobicContact CG-CB 4.24Å; P178-A187 WeakPolarHBondContact O-CA 3.16Å; P178-A187 WeakPolarHBondContact O-CB 3.44Å; P178-A187 PolarHBondContact O-N 3.37Å; P178-N197 HydrophobicContact CB-CB 4.08Å; P178-N197 WeakPolarHBondContact CB-ND2 3.48Å; P178-N197 HydrophobicContact CG-CB 4.48Å; P178-C220 HydrophobicContact CG-CB 3.45Å; P178-C220 VanDerWaalsContact CG-CB 3.45Å
179	S	89.3	Confident	77.5	Confident	91 Å²	91	95.1 Å²	95.1	64%	0.636	52%	0.517	S	S	*	.	B	Isolated β-bridge	trans	-79.7	153.9	177.1	64	0	0	0	0	111.5
180	C	94.1	Very high	79.4	Confident	6 Å²	6	88.9 Å²	88.9	4%	0.041	49%	0.486	C	S	.	.	P	Polyproline II helix	trans	-74.8	129	176.1	177.2	0	0	0	0	111	M182 C183 G185 N197 C199 C202	C180-M182 PolarHBondContact O-N 2.9Å; C180-C183 WeakPolarHBondContact CB-O 3.25Å; C180-C183 PolarHBondContact O-N 3.28Å; C180-G185 VanDerWaalsContact CB-O 3.24Å; C180-G185 WeakPolarHBondContact CB-O 3.16Å; C180-G185 PolarHBondContact N-O 3.04Å; C180-N197 CarbonylContact C-O 3.54Å; C180-N197 WeakPolarHBondContact CA-O 3.36Å; C180-C199 HydrophobicContact CB-CB 4.09Å; C180-C199 PolarHBondContact SG-N 2.82Å; C180-C202 VanDerWaalsContact SG-CB 3.52Å
181	Y	92.3	Very high	81.4	Confident	162 Å²	162	84 Å²	84	64%	0.635	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-26.3	177.8	176.8	-104.8	0	0	0	114.4	D196 N197 F198	Y181-D196 HydrophobicContact CG-CB 4.39Å; Y181-N197 PolarHBondContact N-O 3.35Å; Y181-F198 HydrophobicContact CD1-CE1 4.31Å
182	M	92.1	Very high	83	Confident	99 Å²	99	87.2 Å²	87.2	49%	0.488	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-8.3	-174.4	-61.7	-174.2	76.3	0	0	114.7	C180 F198 C202 T206	C180-M182 PolarHBondContact O-N 2.9Å; M182-F198 HydrophobicContact CG-CD1 4.23Å; M182-F198 HydrophobicContact CG-CE1 4Å; M182-F198 HydrophobicContact SD-CD1 4.25Å; M182-F198 HydrophobicContact SD-CE1 4.05Å; M182-C202 HydrophobicContact CB-CB 4.06Å; M182-C202 HydrophobicContact CG-CB 4.45Å; M182-C202 HydrophobicContact SD-CB 4.05Å; M182-T206 HydrophobicContact CE-CG2 3.79Å; M182-T206 HydrophobicContact SD-CG2 3.25Å; M182-T206 WeakPolarHBondContact SD-CG2 3.07Å
183	C	94.2	Very high	84.4	Confident	46 Å²	46	87.9 Å²	87.9	31%	0.311	45%	0.453	S	S	.	.	S	Bend	trans	-161.1	161.7	-178.6	65.7	0	0	0	0	111.1	C180 G185	C180-C183 WeakPolarHBondContact CB-O 3.25Å; C180-C183 PolarHBondContact O-N 3.28Å; C183-G185 PolarHBondContact O-N 3.11Å
184	E	89.4	Confident	86.3	Confident	207 Å²	207	84 Å²	84	97%	0.967	43%	0.431	S	S	*	.	S	Bend	trans	-71.4	21.8	177.7	-60.9	168.7	-174.9	0	0	114.5
185	G	90.1	Very high	88	Confident	27 Å²	27	83 Å²	83	28%	0.278	43%	0.429	S	S	.	.	S	Bend	trans	-94.4	160.5	177.8	0	0	0	0	0	112.3	C180 C183	C180-G185 VanDerWaalsContact CB-O 3.24Å; C180-G185 WeakPolarHBondContact CB-O 3.16Å; C180-G185 PolarHBondContact N-O 3.04Å; C183-G185 PolarHBondContact O-N 3.11Å
186	V	91.1	Very high	89.6	Confident	81 Å²	81	76.9 Å²	76.9	49%	0.491	40%	0.401	S	S	.	.	B	Isolated β-bridge	trans	-63.1	133.7	172.6	178.3	0	0	0	0	110.7	S177 C199	S177-V186 WeakPolarHBondContact OG-CG1 3.34Å; V186-C199 WeakPolarHBondContact O-CA 3.5Å; V186-C199 WeakPolarHBondContact O-CB 3.44Å
187	A	92.1	Very high	90.8	Very high	3 Å²	3	72 Å²	72	3%	0.025	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-84	133.8	171.4	0	0	0	0	0	111.2	P178 N197 F198 C220	P178-A187 HydrophobicContact CB-CB 4.4Å; P178-A187 HydrophobicContact CG-CB 4.24Å; P178-A187 WeakPolarHBondContact O-CA 3.16Å; P178-A187 WeakPolarHBondContact O-CB 3.44Å; P178-A187 PolarHBondContact O-N 3.37Å; A187-N197 HydrophobicContact CB-CB 3.56Å; A187-F198 WeakPolarHBondContact CA-O 3.43Å; A187-C220 WeakPolarHBondContact O-CB 3.42Å
188	E	92.4	Very high	91.7	Very high	73 Å²	73	70.3 Å²	70.3	34%	0.341	36%	0.363	S	S	.	.			trans	-113.2	-16.9	-179.9	-61.8	174.5	-102.8	0	0	110.8	F198 K200 C220	E188-F198 PolarHBondContact N-O 3.11Å; E188-K200 HydrophobicContact CB-CG 4.26Å; E188-K200 WeakPolarHBondContact OE1-CD 3.46Å; E188-K200 WeakPolarHBondContact OE1-CG 3.36Å; E188-K200 WeakPolarHBondContact OE2-CD 3.48Å; E188-K200 WeakPolarHBondContact OE2-CE 3.3Å; E188-K200 IonicContact OE2-NZ 3.72Å; E188-K200 PolarHBondContact OE2-NZ 3.21Å; E188-C220 PolarHBondContact O-N 2.65Å; E188-C220 VanDerWaalsContact O-N 3.07Å
189	L	93.1	Very high	92	Very high	35 Å²	35	69.3 Å²	69.3	18%	0.183	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	131.1	-172.9	-62.7	169.8	0	0	0	110.1	F198 K200 F203 G218 C220	L189-F198 PolarHBondContact N-O 3.24Å; L189-F198 PolarHBondContact O-N 3.02Å; L189-K200 HydrophobicContact CD1-CG 4.22Å; L189-F203 HydrophobicContact CB-CB 4.44Å; L189-F203 HydrophobicContact CB-CD2 4.02Å; L189-F203 HydrophobicContact CB-CG 4.11Å; L189-F203 HydrophobicContact CD1-CB 3.79Å; L189-F203 HydrophobicContact CD1-CD1 3.6Å; L189-F203 HydrophobicContact CD1-CD2 4.29Å; L189-F203 HydrophobicContact CD1-CE1 4.41Å; L189-F203 HydrophobicContact CD1-CG 3.57Å; L189-G218 CarbonylContact C-O 3.51Å; L189-G218 WeakPolarHBondContact CA-O 3.47Å; L189-C220 PolarHBondContact O-SG 3.02Å
190	S	92.4	Very high	92.2	Very high	31 Å²	31	70.3 Å²	70.3	22%	0.217	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	139.5	172.6	58	0	0	0	0	109.9	N197 T217 G218 C220	S190-N197 WeakPolarHBondContact CB-OD1 3.38Å; S190-T217 CarbonylContact O-C 3.16Å; S190-T217 VanDerWaalsContact O-CA 3.26Å; S190-T217 WeakPolarHBondContact O-CA 3.26Å; S190-G218 PolarHBondContact N-O 2.97Å; S190-G218 PolarHBondContact O-N 3.44Å; S190-C220 PolarHBondContact N-SG 3.48Å; S190-C220 VanDerWaalsContact N-SG 3.39Å
191	C	93.7	Very high	92.2	Very high	3 Å²	3	79.2 Å²	79.2	2%	0.02	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	118.2	174.9	179.1	0	0	0	0	109.5	E193 C194 D195 D196 F198 F203 H207 H215	C191-E193 VanDerWaalsContact C-N 3.29Å; C191-E193 PolarHBondContact O-N 2.99Å; C191-C194 HydrophobicContact CB-CB 4Å; C191-C194 PolarHBondContact O-N 3.42Å; C191-C194 PolarHBondContact SG-N 2.96Å; C191-C194 VanDerWaalsContact SG-N 3.39Å; C191-C194 VanDerWaalsContact SG-SG 3.7Å; C191-D195 WeakPolarHBondContact O-CA 3.27Å; C191-D195 PolarHBondContact O-N 3.35Å; C191-D196 PolarHBondContact N-O 3.09Å; C191-D196 PolarHBondContact O-N 2.94Å; C191-F198 HydrophobicContact CB-CD2 4.4Å; C191-F198 HydrophobicContact CB-CE2 3.99Å; C191-F203 HydrophobicContact CB-CE2 4.26Å; C191-H207 WeakPolarHBondContact CB-NE2 3.22Å; C191-H207 PolarHBondContact SG-NE2 2.87Å; C191-H215 VanDerWaalsContact SG-CB 3.53Å; C191-H215 PolarHBondContact SG-ND1 2.81Å; C191-H215 VanDerWaalsContact SG-ND1 3.4Å
192	R	89.8	Confident	92.3	Very high	186 Å²	186	72 Å²	72	70%	0.702	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-29.2	-178.3	-68.2	-172.4	174.6	-163.9	-3.5	113.6	Q216	R192-Q216 HydrophobicContact CB-CB 4.27Å; R192-Q216 HydrophobicContact CG-CB 4.49Å; R192-Q216 PolarHBondContact N-O 3.21Å
193	E	88.7	Confident	92.3	Very high	108 Å²	108	68 Å²	68	51%	0.505	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-22.8	-177.6	-72.1	169.1	-131.8	0	0	112.6	C191 H215 Q216	C191-E193 VanDerWaalsContact C-N 3.29Å; C191-E193 PolarHBondContact O-N 2.99Å; E193-H215 HydrophobicContact CB-CB 4.12Å; E193-H215 VanDerWaalsContact OE1-CA 3.27Å; E193-H215 WeakPolarHBondContact OE1-CA 3.45Å; E193-H215 IonicContact OE2-CD2 2.63Å; E193-H215 PolarHBondContact OE2-CD2 2.75Å; E193-H215 IonicContact OE2-CG 2.86Å; E193-H215 IonicContact OE2-NE2 3.46Å; E193-Q216 PolarHBondContact OE1-N 3.44Å
194	C	91.2	Very high	92.2	Very high	32 Å²	32	69.8 Å²	69.8	22%	0.216	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-12.6	169.6	-61.7	0	0	0	0	113.1	C191 D196 F198 H207 H215	C191-C194 HydrophobicContact CB-CB 4Å; C191-C194 PolarHBondContact O-N 3.42Å; C191-C194 PolarHBondContact SG-N 2.96Å; C191-C194 VanDerWaalsContact SG-N 3.39Å; C191-C194 VanDerWaalsContact SG-SG 3.7Å; C194-D196 HydrophobicContact CB-CB 4.13Å; C194-D196 PolarHBondContact O-N 3.46Å; C194-D196 VanDerWaalsContact O-N 3.16Å; C194-F198 HydrophobicContact CB-CE2 4.44Å; C194-H207 PolarHBondContact SG-NE2 3.41Å; C194-H215 PolarHBondContact SG-CE1 3.16Å; C194-H215 PolarHBondContact SG-ND1 2.85Å
195	D	90.6	Very high	92.2	Very high	148 Å²	148	66.8 Å²	66.8	79%	0.791	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	30	-171.8	-154.1	24.1	0	0	0	113.8	C191	C191-D195 WeakPolarHBondContact O-CA 3.27Å; C191-D195 PolarHBondContact O-N 3.35Å
196	D	94	Very high	92.1	Very high	44 Å²	44	66.7 Å²	66.7	24%	0.235	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	148.8	-171.5	-77.4	-38.7	0	0	0	111	Y181 C191 C194 F198	Y181-D196 HydrophobicContact CG-CB 4.39Å; C191-D196 PolarHBondContact N-O 3.09Å; C191-D196 PolarHBondContact O-N 2.94Å; C194-D196 HydrophobicContact CB-CB 4.13Å; C194-D196 PolarHBondContact O-N 3.46Å; C194-D196 VanDerWaalsContact O-N 3.16Å; D196-F198 HydrophobicContact CB-CD2 4.3Å; D196-F198 HydrophobicContact CB-CE1 4.35Å; D196-F198 HydrophobicContact CB-CE2 3.34Å; D196-F198 HydrophobicContact CB-CZ 3.36Å; D196-F198 WeakPolarHBondContact O-CD2 3.31Å; D196-F198 WeakPolarHBondContact O-CE2 3.5Å
197	N	93.8	Very high	92.1	Very high	58 Å²	58	62.9 Å²	62.9	31%	0.31	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	138.4	175.7	-63.3	-48.4	0	0	0	111.1	P178 C180 Y181 A187 S190 C220	P178-N197 HydrophobicContact CB-CB 4.08Å; P178-N197 WeakPolarHBondContact CB-ND2 3.48Å; P178-N197 HydrophobicContact CG-CB 4.48Å; C180-N197 CarbonylContact C-O 3.54Å; C180-N197 WeakPolarHBondContact CA-O 3.36Å; Y181-N197 PolarHBondContact N-O 3.35Å; A187-N197 HydrophobicContact CB-CB 3.56Å; S190-N197 WeakPolarHBondContact CB-OD1 3.38Å; N197-C220 PolarHBondContact OD1-SG 2.89Å
198	F	94.5	Very high	91.6	Very high	5 Å²	5	65.3 Å²	65.3	2%	0.022	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	141.5	-174.9	-58.7	-86.8	0	0	0	112.4	Y181 M182 A187 E188 L189 C191 C194 D196 C202 F203 H207	Y181-F198 HydrophobicContact CD1-CE1 4.31Å; M182-F198 HydrophobicContact CG-CD1 4.23Å; M182-F198 HydrophobicContact CG-CE1 4Å; M182-F198 HydrophobicContact SD-CD1 4.25Å; M182-F198 HydrophobicContact SD-CE1 4.05Å; A187-F198 WeakPolarHBondContact CA-O 3.43Å; E188-F198 PolarHBondContact N-O 3.11Å; L189-F198 PolarHBondContact N-O 3.24Å; L189-F198 PolarHBondContact O-N 3.02Å; C191-F198 HydrophobicContact CB-CD2 4.4Å; C191-F198 HydrophobicContact CB-CE2 3.99Å; C194-F198 HydrophobicContact CB-CE2 4.44Å; D196-F198 HydrophobicContact CB-CD2 4.3Å; D196-F198 HydrophobicContact CB-CE1 4.35Å; D196-F198 HydrophobicContact CB-CE2 3.34Å; D196-F198 HydrophobicContact CB-CZ 3.36Å; D196-F198 WeakPolarHBondContact O-CD2 3.31Å; D196-F198 WeakPolarHBondContact O-CE2 3.5Å; F198-C202 HydrophobicContact CD1-CB 4.28Å; F198-F203 HydrophobicContact CB-CB 3.66Å; F198-F203 HydrophobicContact CB-CD2 4Å; F198-F203 HydrophobicContact CB-CG 4.34Å; F198-F203 AromaticContact CD2-CD2 3.87Å; F198-F203 HydrophobicContact CD2-CD2 3.87Å; F198-F203 HydrophobicContact CG-CB 4.38Å; F198-F203 HydrophobicContact CG-CD2 4.14Å; F198-H207 AromaticContact CD2-CE1 3.91Å; F198-H207 AromaticContact CE2-CE1 3.42Å; F198-H207 VanDerWaalsContact CE2-CE1 3.42Å; F198-H207 WeakPolarHBondContact CE2-CE1 3.15Å; F198-H207 AromaticContact CZ-CE1 3.7Å
199	C	94.3	Very high	90.9	Very high	10 Å²	10	68.8 Å²	68.8	7%	0.068	32%	0.323	C	S	.	.			trans	-68.1	155.7	161.2	75.1	0	0	0	0	109.5	C180 V186 R201 C202 F203	C180-C199 HydrophobicContact CB-CB 4.09Å; C180-C199 PolarHBondContact SG-N 2.82Å; V186-C199 WeakPolarHBondContact O-CA 3.5Å; V186-C199 WeakPolarHBondContact O-CB 3.44Å; C199-R201 PolarHBondContact O-N 2.95Å; C199-C202 PolarHBondContact O-N 3.41Å; C199-C202 PolarHBondContact SG-N 3.23Å; C199-F203 WeakPolarHBondContact O-CB 3.46Å; C199-F203 PolarHBondContact O-N 3.35Å
200	K	92.5	Very high	89.8	Confident	112 Å²	112	78 Å²	78	49%	0.487	36%	0.355	S	S	.	.	H	α-helix	trans	-49.8	-37.8	179	-78.1	173	177.2	147.8	0	113.4	E188 L189 N204	E188-K200 HydrophobicContact CB-CG 4.26Å; E188-K200 WeakPolarHBondContact OE1-CD 3.46Å; E188-K200 WeakPolarHBondContact OE1-CG 3.36Å; E188-K200 WeakPolarHBondContact OE2-CD 3.48Å; E188-K200 WeakPolarHBondContact OE2-CE 3.3Å; E188-K200 IonicContact OE2-NZ 3.72Å; E188-K200 PolarHBondContact OE2-NZ 3.21Å; L189-K200 HydrophobicContact CD1-CG 4.22Å; K200-N204 VanDerWaalsContact O-CB 3.28Å; K200-N204 WeakPolarHBondContact O-CB 3.43Å; K200-N204 PolarHBondContact O-N 3.44Å; K200-N204 VanDerWaalsContact O-N 3.11Å; K200-N204 PolarHBondContact O-ND2 3.2Å
201	R	93.3	Very high	89	Confident	193 Å²	193	84.3 Å²	84.3	73%	0.728	38%	0.381	S	S	*	.	H	α-helix	trans	-67.7	-46.8	179.5	-69.7	-173.4	-70	170.5	-2.5	112.3	C199 K205	C199-R201 PolarHBondContact O-N 2.95Å; R201-K205 VanDerWaalsContact O-CG 3.3Å; R201-K205 WeakPolarHBondContact O-CG 3.29Å; R201-K205 PolarHBondContact O-N 3.27Å
202	C	94.4	Very high	88.5	Confident	11 Å²	11	89.9 Å²	89.9	7%	0.074	40%	0.402	C	S	.	.	H	α-helix	trans	-72.8	-40.5	-178.9	-69.6	0	0	0	0	111.2	C180 M182 F198 C199 N204 K205 T206	C180-C202 VanDerWaalsContact SG-CB 3.52Å; M182-C202 HydrophobicContact CB-CB 4.06Å; M182-C202 HydrophobicContact CG-CB 4.45Å; M182-C202 HydrophobicContact SD-CB 4.05Å; F198-C202 HydrophobicContact CD1-CB 4.28Å; C199-C202 PolarHBondContact O-N 3.41Å; C199-C202 PolarHBondContact SG-N 3.23Å; C202-N204 VanDerWaalsContact C-N 3.34Å; C202-N204 PolarHBondContact O-N 3.44Å; C202-K205 WeakPolarHBondContact O-CB 3.36Å; C202-K205 PolarHBondContact O-N 3.48Å; C202-T206 PolarHBondContact O-N 2.78Å; C202-T206 VanDerWaalsContact O-N 3.07Å; C202-T206 PolarHBondContact O-OG1 2.73Å
203	F	93.4	Very high	88.1	Confident	16 Å²	16	87.4 Å²	87.4	7%	0.07	40%	0.396	C	S	.	.	H	α-helix	trans	-54.4	-51.3	173.9	-170.8	-92.6	0	0	0	111.1	L189 C191 F198 C199 K205 T206 H207 T217	L189-F203 HydrophobicContact CB-CB 4.44Å; L189-F203 HydrophobicContact CB-CD2 4.02Å; L189-F203 HydrophobicContact CB-CG 4.11Å; L189-F203 HydrophobicContact CD1-CB 3.79Å; L189-F203 HydrophobicContact CD1-CD1 3.6Å; L189-F203 HydrophobicContact CD1-CD2 4.29Å; L189-F203 HydrophobicContact CD1-CE1 4.41Å; L189-F203 HydrophobicContact CD1-CG 3.57Å; C191-F203 HydrophobicContact CB-CE2 4.26Å; F198-F203 HydrophobicContact CB-CB 3.66Å; F198-F203 HydrophobicContact CB-CD2 4Å; F198-F203 HydrophobicContact CB-CG 4.34Å; F198-F203 AromaticContact CD2-CD2 3.87Å; F198-F203 HydrophobicContact CD2-CD2 3.87Å; F198-F203 HydrophobicContact CG-CB 4.38Å; F198-F203 HydrophobicContact CG-CD2 4.14Å; C199-F203 WeakPolarHBondContact O-CB 3.46Å; C199-F203 PolarHBondContact O-N 3.35Å; F203-K205 PolarHBondContact O-N 2.91Å; F203-T206 PolarHBondContact O-N 2.93Å; F203-T206 VanDerWaalsContact O-N 3.16Å; F203-T206 PolarHBondContact O-OG1 3.32Å; F203-H207 HydrophobicContact CD1-CB 4.16Å; F203-H207 HydrophobicContact CD2-CB 4.36Å; F203-H207 AromaticContact CD2-CE1 3.99Å; F203-H207 AromaticContact CD2-CG 3.87Å; F203-H207 AromaticContact CD2-ND1 3.55Å; F203-H207 HydrophobicContact CE1-CB 3.53Å; F203-H207 HydrophobicContact CE2-CB 3.76Å; F203-H207 AromaticContact CE2-CD2 3.51Å; F203-H207 AromaticContact CE2-CE1 3.69Å; F203-H207 AromaticContact CE2-CG 3.23Å; F203-H207 AromaticContact CE2-ND1 3.35Å; F203-H207 WeakPolarHBondContact CE2-ND1 3.43Å; F203-H207 AromaticContact CE2-NE2 3.82Å; F203-H207 HydrophobicContact CG-CB 4.49Å; F203-H207 HydrophobicContact CZ-CB 3.22Å; F203-H207 AromaticContact CZ-CD2 3.61Å; F203-H207 AromaticContact CZ-CG 3.24Å; F203-H207 AromaticContact CZ-ND1 3.83Å; F203-H207 WeakPolarHBondContact O-CB 3.39Å; F203-H207 PolarHBondContact O-N 2.88Å; F203-T217 HydrophobicContact CE1-CG2 3.86Å; F203-T217 HydrophobicContact CE2-CG2 3.53Å; F203-T217 HydrophobicContact CZ-CG2 3.02Å
204	N	91.3	Very high	87.8	Confident	82 Å²	82	90.4 Å²	90.4	44%	0.439	41%	0.41	S	S	.	.	H	α-helix	trans	-63.7	-25.8	178.3	-78.6	-31.1	0	0	0	114	K200 C202 N208	K200-N204 VanDerWaalsContact O-CB 3.28Å; K200-N204 WeakPolarHBondContact O-CB 3.43Å; K200-N204 PolarHBondContact O-N 3.44Å; K200-N204 VanDerWaalsContact O-N 3.11Å; K200-N204 PolarHBondContact O-ND2 3.2Å; C202-N204 VanDerWaalsContact C-N 3.34Å; C202-N204 PolarHBondContact O-N 3.44Å; N204-N208 VanDerWaalsContact CA-ND2 3.26Å; N204-N208 WeakPolarHBondContact CA-ND2 3.44Å; N204-N208 VanDerWaalsContact CB-ND2 3.29Å; N204-N208 WeakPolarHBondContact CB-ND2 3.46Å; N204-N208 VanDerWaalsContact O-CB 3.22Å; N204-N208 WeakPolarHBondContact O-CB 3.49Å; N204-N208 PolarHBondContact O-ND2 3.42Å; N204-N208 PolarHBondContact OD1-ND2 3.2Å
205	K	89.5	Confident	87.9	Confident	144 Å²	144	90.3 Å²	90.3	63%	0.626	41%	0.407	S	S	*	.	H	α-helix	trans	-76.4	-36.1	176.3	-75.3	172.4	-178.9	-178.3	0	111.9	R201 C202 F203	R201-K205 VanDerWaalsContact O-CG 3.3Å; R201-K205 WeakPolarHBondContact O-CG 3.29Å; R201-K205 PolarHBondContact O-N 3.27Å; C202-K205 WeakPolarHBondContact O-CB 3.36Å; C202-K205 PolarHBondContact O-N 3.48Å; F203-K205 PolarHBondContact O-N 2.91Å
206	T	88.4	Confident	87.6	Confident	25 Å²	25	88.8 Å²	88.8	15%	0.153	40%	0.395	C	S	.	.	H	α-helix	trans	-96.3	-34.1	-173.9	49.3	0	0	0	0	114.4	M182 C202 F203	M182-T206 HydrophobicContact CE-CG2 3.79Å; M182-T206 HydrophobicContact SD-CG2 3.25Å; M182-T206 WeakPolarHBondContact SD-CG2 3.07Å; C202-T206 PolarHBondContact O-N 2.78Å; C202-T206 VanDerWaalsContact O-N 3.07Å; C202-T206 PolarHBondContact O-OG1 2.73Å; F203-T206 PolarHBondContact O-N 2.93Å; F203-T206 VanDerWaalsContact O-N 3.16Å; F203-T206 PolarHBondContact O-OG1 3.32Å
207	H	90.9	Very high	87.4	Confident	1 Å²	1	90.2 Å²	90.2	1%	0.005	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-19.5	-173.8	-66.6	74.5	0	0	0	113.6	C191 C194 F198 F203 K209 R212 F213 H215	C191-H207 WeakPolarHBondContact CB-NE2 3.22Å; C191-H207 PolarHBondContact SG-NE2 2.87Å; C194-H207 PolarHBondContact SG-NE2 3.41Å; F198-H207 AromaticContact CD2-CE1 3.91Å; F198-H207 AromaticContact CE2-CE1 3.42Å; F198-H207 VanDerWaalsContact CE2-CE1 3.42Å; F198-H207 WeakPolarHBondContact CE2-CE1 3.15Å; F198-H207 AromaticContact CZ-CE1 3.7Å; F203-H207 HydrophobicContact CD1-CB 4.16Å; F203-H207 HydrophobicContact CD2-CB 4.36Å; F203-H207 AromaticContact CD2-CE1 3.99Å; F203-H207 AromaticContact CD2-CG 3.87Å; F203-H207 AromaticContact CD2-ND1 3.55Å; F203-H207 HydrophobicContact CE1-CB 3.53Å; F203-H207 HydrophobicContact CE2-CB 3.76Å; F203-H207 AromaticContact CE2-CD2 3.51Å; F203-H207 AromaticContact CE2-CE1 3.69Å; F203-H207 AromaticContact CE2-CG 3.23Å; F203-H207 AromaticContact CE2-ND1 3.35Å; F203-H207 WeakPolarHBondContact CE2-ND1 3.43Å; F203-H207 AromaticContact CE2-NE2 3.82Å; F203-H207 HydrophobicContact CG-CB 4.49Å; F203-H207 HydrophobicContact CZ-CB 3.22Å; F203-H207 AromaticContact CZ-CD2 3.61Å; F203-H207 AromaticContact CZ-CG 3.24Å; F203-H207 AromaticContact CZ-ND1 3.83Å; F203-H207 WeakPolarHBondContact O-CB 3.39Å; F203-H207 PolarHBondContact O-N 2.88Å; H207-K209 PolarHBondContact O-N 3.05Å; H207-K209 VanDerWaalsContact O-N 3.1Å; H207-R212 HydrophobicContact CB-CB 4.44Å; H207-R212 PolarHBondContact CD2-O 2.78Å; H207-R212 VanDerWaalsContact CD2-O 3.28Å; H207-R212 CarbonylContact O-C 3.53Å; H207-F213 WeakPolarHBondContact O-CA 3.39Å; H207-F213 WeakPolarHBondContact O-CB 3.31Å; H207-F213 PolarHBondContact O-N 2.64Å; H207-F213 VanDerWaalsContact O-N 3.11Å; H207-H215 AromaticContact CD2-ND1 3.76Å; H207-H215 AromaticContact NE2-ND1 3.7Å
208	N	82	Confident	87.3	Confident	55 Å²	55	88.6 Å²	88.6	29%	0.294	40%	0.403	S	S	.	.	S	Bend	trans	-77	7.2	176.3	-67	-26.3	0	0	0	114.6	N204	N204-N208 VanDerWaalsContact CA-ND2 3.26Å; N204-N208 WeakPolarHBondContact CA-ND2 3.44Å; N204-N208 VanDerWaalsContact CB-ND2 3.29Å; N204-N208 WeakPolarHBondContact CB-ND2 3.46Å; N204-N208 VanDerWaalsContact O-CB 3.22Å; N204-N208 WeakPolarHBondContact O-CB 3.49Å; N204-N208 PolarHBondContact O-ND2 3.42Å; N204-N208 PolarHBondContact OD1-ND2 3.2Å
209	K	77.5	Confident	87	Confident	145 Å²	145	94.8 Å²	94.8	63%	0.63	44%	0.435	S	S	*	.	S	Bend	trans	-117.4	124.9	-179.1	-69.2	-177.6	-177.7	176.6	0	110.7	H207 E211 R212	H207-K209 PolarHBondContact O-N 3.05Å; H207-K209 VanDerWaalsContact O-N 3.1Å; K209-E211 PolarHBondContact O-N 2.92Å; K209-R212 PolarHBondContact O-N 3.14Å
210	R	69.1	Low	86.4	Confident	229 Å²	229	95.3 Å²	95.3	86%	0.864	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	57.2	-106.8	161.7	-55	177	-176.8	177.9	-0.7	112.3
211	E	75.9	Confident	85.3	Confident	163 Å²	163	101.7 Å²	101.7	76%	0.762	47%	0.466	S	S	*	.	G	3₁₀ helix	trans	-83.1	-29.7	-165	-68	158.7	-160.2	0	0	112.5	K209 F213	K209-E211 PolarHBondContact O-N 2.92Å; E211-F213 VanDerWaalsContact C-N 3.3Å; E211-F213 PolarHBondContact O-N 3.43Å
212	R	83.3	Confident	84.9	Confident	120 Å²	120	97.2 Å²	97.2	45%	0.453	45%	0.453	S	S	.	.	G	3₁₀ helix	trans	-86.5	1.2	-175.8	-56.5	-166.2	-174.7	152.7	-0.3	114.5	H207 K209 H215	H207-R212 HydrophobicContact CB-CB 4.44Å; H207-R212 PolarHBondContact CD2-O 2.78Å; H207-R212 VanDerWaalsContact CD2-O 3.28Å; H207-R212 CarbonylContact O-C 3.53Å; K209-R212 PolarHBondContact O-N 3.14Å; R212-H215 VanDerWaalsContact CG-CE1 3.43Å; R212-H215 WeakPolarHBondContact CG-CE1 3.46Å; R212-H215 WeakPolarHBondContact O-CB 3.24Å; R212-H215 PolarHBondContact O-N 2.99Å
213	F	81.7	Confident	84.4	Confident	135 Å²	135	101.7 Å²	101.7	59%	0.592	47%	0.472	S	S	*	.	G	3₁₀ helix	trans	-73.9	-34.1	-179	179.8	-98.3	0	0	0	112.2	H207 E211 H215	H207-F213 WeakPolarHBondContact O-CA 3.39Å; H207-F213 WeakPolarHBondContact O-CB 3.31Å; H207-F213 PolarHBondContact O-N 2.64Å; H207-F213 VanDerWaalsContact O-N 3.11Å; E211-F213 VanDerWaalsContact C-N 3.3Å; E211-F213 PolarHBondContact O-N 3.43Å; F213-H215 PolarHBondContact O-N 3.41Å
214	E	82.7	Confident	83.9	Confident	170 Å²	170	106.4 Å²	106.4	79%	0.794	50%	0.495	S	S	*	.	S	Bend	trans	-80.5	-5.9	178.3	-63.1	-177.8	178.8	0	0	112.2	Q216	E214-Q216 PolarHBondContact O-N 3.43Å
215	H	91.9	Very high	83.5	Confident	31 Å²	31	107.9 Å²	107.9	14%	0.144	50%	0.498	C	S	.	.	S	Bend	trans	-58.5	137	-179.9	-71.5	-166.9	0	0	0	111	C191 E193 C194 H207 R212 F213 T217	C191-H215 VanDerWaalsContact SG-CB 3.53Å; C191-H215 PolarHBondContact SG-ND1 2.81Å; C191-H215 VanDerWaalsContact SG-ND1 3.4Å; E193-H215 HydrophobicContact CB-CB 4.12Å; E193-H215 VanDerWaalsContact OE1-CA 3.27Å; E193-H215 WeakPolarHBondContact OE1-CA 3.45Å; E193-H215 IonicContact OE2-CD2 2.63Å; E193-H215 PolarHBondContact OE2-CD2 2.75Å; E193-H215 IonicContact OE2-CG 2.86Å; E193-H215 IonicContact OE2-NE2 3.46Å; C194-H215 PolarHBondContact SG-CE1 3.16Å; C194-H215 PolarHBondContact SG-ND1 2.85Å; H207-H215 AromaticContact CD2-ND1 3.76Å; H207-H215 AromaticContact NE2-ND1 3.7Å; R212-H215 VanDerWaalsContact CG-CE1 3.43Å; R212-H215 WeakPolarHBondContact CG-CE1 3.46Å; R212-H215 WeakPolarHBondContact O-CB 3.24Å; R212-H215 PolarHBondContact O-N 2.99Å; F213-H215 PolarHBondContact O-N 3.41Å; H215-T217 PolarHBondContact O-N 2.73Å
216	Q	85.5	Confident	83.1	Confident	115 Å²	115	105.6 Å²	105.6	54%	0.537	49%	0.49	S	S	.	.			trans	-68	119.7	175.6	-68.5	-176.9	11	0	0	111.8	R192 E193 E214	R192-Q216 HydrophobicContact CB-CB 4.27Å; R192-Q216 HydrophobicContact CG-CB 4.49Å; R192-Q216 PolarHBondContact N-O 3.21Å; E193-Q216 PolarHBondContact OE1-N 3.44Å; E214-Q216 PolarHBondContact O-N 3.43Å
217	T	90.5	Very high	82.8	Confident	74 Å²	74	111 Å²	111	45%	0.454	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	134.7	179.4	63.3	0	0	0	0	112.1	S190 F203 H215	S190-T217 CarbonylContact O-C 3.16Å; S190-T217 VanDerWaalsContact O-CA 3.26Å; S190-T217 WeakPolarHBondContact O-CA 3.26Å; F203-T217 HydrophobicContact CE1-CG2 3.86Å; F203-T217 HydrophobicContact CE2-CG2 3.53Å; F203-T217 HydrophobicContact CZ-CG2 3.02Å; H215-T217 PolarHBondContact O-N 2.73Å
218	G	90.6	Very high	82.2	Confident	25 Å²	25	118.9 Å²	118.9	26%	0.258	55%	0.549	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	164.6	168.4	0	0	0	0	0	111.8	L189 S190	L189-G218 CarbonylContact C-O 3.51Å; L189-G218 WeakPolarHBondContact CA-O 3.47Å; S190-G218 PolarHBondContact N-O 2.97Å; S190-G218 PolarHBondContact O-N 3.44Å
219	I	89.4	Confident	82.2	Confident	135 Å²	135	123.8 Å²	123.8	69%	0.692	57%	0.568	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-77	130.4	164.9	-62.8	169.4	0	0	0	107.2	K221	I219-K221 PolarHBondContact O-N 3.26Å
220	C	81.7	Confident	82.6	Confident	20 Å²	20	122 Å²	122	14%	0.135	56%	0.563	C	S	.	*			trans	-64.7	112.9	167.2	-73	0	0	0	0	108.1	P178 A187 E188 L189 S190 N197	P178-C220 HydrophobicContact CG-CB 3.45Å; P178-C220 VanDerWaalsContact CG-CB 3.45Å; A187-C220 WeakPolarHBondContact O-CB 3.42Å; E188-C220 PolarHBondContact O-N 2.65Å; E188-C220 VanDerWaalsContact O-N 3.07Å; L189-C220 PolarHBondContact O-SG 3.02Å; S190-C220 PolarHBondContact N-SG 3.48Å; S190-C220 VanDerWaalsContact N-SG 3.39Å; N197-C220 PolarHBondContact OD1-SG 2.89Å
221	K	69.1	Low	83.8	Confident	247 Å²	247	112.3 Å²	112.3	100%	1.074	54%	0.536	S	S	*	.			trans	-90.9	0	170	-73.9	-173.8	179	-178.5	0	109.8	I219	I219-K221 PolarHBondContact O-N 3.26Å

Retrieved 221 of 221 residues in 139.7 ms (Link to these results)

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