A0A077ZEE5_TRITR Loading...

Ubiquitin conjugating enzyme E2 J1

AlphaFold DB , UniProt , Accession A0A077ZEE5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 288 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	57.8	Low	80.6	Confident	135 Å²	135	90.4 Å²	90.4	67%	0.665	50%	0.502	S	S	*	.				0	-36.2	0	-73.7	-176.9	-166.4	0	0	112.6	G3 Q4 P33	M1-G3 VanDerWaalsContact C-N 3.28Å; M1-G3 PolarHBondContact O-N 3.08Å; M1-Q4 PolarHBondContact O-N 3.33Å; M1-P33 HydrophobicContact CE-CG 4.27Å
2	E	60	Low	81.8	Confident	162 Å²	162	83.1 Å²	83.1	76%	0.757	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-22.7	-174.4	-68.4	176.3	168.8	0	0	115.4
3	G	66.9	Low	82.8	Confident	86 Å²	86	85.5 Å²	85.5	89%	0.887	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-8.5	179.2	0	0	0	0	0	116.4	M1	M1-G3 VanDerWaalsContact C-N 3.28Å; M1-G3 PolarHBondContact O-N 3.08Å
4	Q	78.8	Confident	83.8	Confident	98 Å²	98	82.5 Å²	82.5	46%	0.458	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-19.2	-172	-172.1	166.9	20.1	0	0	113.6	M1 E36	M1-Q4 PolarHBondContact O-N 3.33Å; Q4-E36 PolarHBondContact NE2-OE2 2.99Å; Q4-E36 VanDerWaalsContact OE1-CB 3.27Å; Q4-E36 PolarHBondContact OE1-O 2.9Å
5	Y	82.6	Confident	84.6	Confident	43 Å²	43	77 Å²	77	17%	0.169	41%	0.413	C	S	.	.	S	Bend	trans	-118.1	141.9	-172.4	-69.8	-78.5	0	0	0	111.7	T7 V12 E36 N37 L38 F39	Y5-T7 PolarHBondContact O-N 3Å; Y5-V12 HydrophobicContact CD1-CG2 4.07Å; Y5-V12 HydrophobicContact CG-CG1 4.31Å; Y5-V12 HydrophobicContact CG-CG2 4.44Å; Y5-E36 PolarHBondContact OH-O 3.28Å; Y5-N37 WeakPolarHBondContact OH-CA 3.44Å; Y5-L38 HydrophobicContact CD1-CB 4.49Å; Y5-L38 HydrophobicContact CD2-CB 4.36Å; Y5-L38 HydrophobicContact CD2-CD2 4.43Å; Y5-L38 HydrophobicContact CE1-CB 3.92Å; Y5-L38 HydrophobicContact CE2-CB 3.8Å; Y5-L38 HydrophobicContact CG-CD2 4.41Å; Y5-L38 PolarHBondContact OH-N 2.96Å; Y5-F39 HydrophobicContact CD1-CE2 4.41Å; Y5-F39 HydrophobicContact CE1-CD2 4.29Å; Y5-F39 HydrophobicContact CE1-CE2 4.05Å
6	N	86.4	Confident	85.2	Confident	101 Å²	101	75.3 Å²	75.3	54%	0.54	40%	0.403	S	S	.	.			trans	-65.7	100.2	167.8	-178.2	-1	0	0	0	109.2	H8 N9	N6-H8 PolarHBondContact O-N 3.45Å; N6-H8 VanDerWaalsContact O-N 3.09Å; N6-H8 WeakPolarHBondContact OD1-CA 3.47Å; N6-H8 VanDerWaalsContact OD1-CB 3.24Å; N6-H8 WeakPolarHBondContact OD1-CB 3.32Å; N6-H8 PolarHBondContact OD1-CD2 3.49Å; N6-H8 PolarHBondContact OD1-N 3.21Å; N6-N9 VanDerWaalsContact O-CB 3.31Å; N6-N9 WeakPolarHBondContact O-CB 3.26Å; N6-N9 PolarHBondContact O-N 2.95Å
7	T	85.8	Confident	85.9	Confident	63 Å²	63	81.5 Å²	81.5	39%	0.387	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-7.7	179.2	57.9	0	0	0	0	112.8	Y5 K13 M16	Y5-T7 PolarHBondContact O-N 3Å; T7-K13 WeakPolarHBondContact O-CE 3.49Å; T7-K13 WeakPolarHBondContact O-CG 3.4Å; T7-M16 HydrophobicContact CG2-CE 4.29Å; T7-M16 HydrophobicContact CG2-SD 4.47Å
8	H	87.7	Confident	86.5	Confident	144 Å²	144	77.1 Å²	77.1	67%	0.667	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-18.5	169.3	-61.1	-84.8	0	0	0	113.3	N6 P10	N6-H8 PolarHBondContact O-N 3.45Å; N6-H8 VanDerWaalsContact O-N 3.09Å; N6-H8 WeakPolarHBondContact OD1-CA 3.47Å; N6-H8 VanDerWaalsContact OD1-CB 3.24Å; N6-H8 WeakPolarHBondContact OD1-CB 3.32Å; N6-H8 PolarHBondContact OD1-CD2 3.49Å; N6-H8 PolarHBondContact OD1-N 3.21Å; H8-P10 WeakPolarHBondContact O-CD 3.35Å
9	N	92	Very high	87	Confident	58 Å²	58	74.6 Å²	74.6	31%	0.31	39%	0.388	S	S	.	.	S	Bend	trans	-66.7	122.8	177.1	-178.1	-27	0	0	0	110.1	N6 A11 V12 K13	N6-N9 VanDerWaalsContact O-CB 3.31Å; N6-N9 WeakPolarHBondContact O-CB 3.26Å; N6-N9 PolarHBondContact O-N 2.95Å; N9-A11 VanDerWaalsContact C-N 3.26Å; N9-A11 PolarHBondContact O-N 3.21Å; N9-A11 VanDerWaalsContact OD1-CB 3.31Å; N9-A11 WeakPolarHBondContact OD1-CB 3.5Å; N9-A11 PolarHBondContact OD1-N 3.05Å; N9-V12 HydrophobicContact CB-CB 4.09Å; N9-V12 HydrophobicContact CB-CG2 3.83Å; N9-V12 PolarHBondContact O-N 3.45Å; N9-V12 VanDerWaalsContact O-N 3.14Å; N9-K13 PolarHBondContact O-N 3.24Å
10	P	93.5	Very high	87.4	Confident	100 Å²	100	78.7 Å²	78.7	65%	0.649	41%	0.408	S	S	*	.	H	α-helix	trans	-55.3	-37	178.8	-26.2	34.9	0	0	0	114.2	H8 K13 R14	H8-P10 WeakPolarHBondContact O-CD 3.35Å; P10-K13 PolarHBondContact O-N 2.69Å; P10-R14 WeakPolarHBondContact O-CB 3.35Å; P10-R14 PolarHBondContact O-N 3.41Å
11	A	95	Very high	87.9	Confident	4 Å²	4	80.1 Å²	80.1	3%	0.033	41%	0.413	C	S	.	.	H	α-helix	trans	-64	-46.4	177.3	0	0	0	0	0	111.3	N9 K13 R14 L15 F39 P66 Y68	N9-A11 VanDerWaalsContact C-N 3.26Å; N9-A11 PolarHBondContact O-N 3.21Å; N9-A11 VanDerWaalsContact OD1-CB 3.31Å; N9-A11 WeakPolarHBondContact OD1-CB 3.5Å; N9-A11 PolarHBondContact OD1-N 3.05Å; A11-K13 PolarHBondContact O-N 3.4Å; A11-R14 WeakPolarHBondContact O-CB 3.48Å; A11-R14 PolarHBondContact O-N 2.96Å; A11-L15 WeakPolarHBondContact O-CB 3.21Å; A11-L15 VanDerWaalsContact O-CG 3.27Å; A11-L15 WeakPolarHBondContact O-CG 3.32Å; A11-L15 PolarHBondContact O-N 2.99Å; A11-F39 HydrophobicContact CB-CE1 4.16Å; A11-F39 HydrophobicContact CB-CZ 4.32Å; A11-P66 VanDerWaalsContact CB-O 3.3Å; A11-P66 WeakPolarHBondContact CB-O 3.42Å; A11-Y68 WeakPolarHBondContact CA-O 3.33Å; A11-Y68 WeakPolarHBondContact CB-O 3.49Å
12	V	95.2	Very high	89.7	Confident	3 Å²	3	74.3 Å²	74.3	2%	0.018	38%	0.384	C	S	.	.	H	α-helix	trans	-60.2	-47.4	176.3	172.8	0	0	0	0	110.5	Y5 N9 R14 L15 M16 L38 F39	Y5-V12 HydrophobicContact CD1-CG2 4.07Å; Y5-V12 HydrophobicContact CG-CG1 4.31Å; Y5-V12 HydrophobicContact CG-CG2 4.44Å; N9-V12 HydrophobicContact CB-CB 4.09Å; N9-V12 HydrophobicContact CB-CG2 3.83Å; N9-V12 PolarHBondContact O-N 3.45Å; N9-V12 VanDerWaalsContact O-N 3.14Å; V12-R14 VanDerWaalsContact C-N 3.32Å; V12-R14 PolarHBondContact O-N 3.25Å; V12-L15 PolarHBondContact O-N 3.45Å; V12-M16 HydrophobicContact CG1-CE 3.76Å; V12-M16 HydrophobicContact CG1-CG 4.35Å; V12-M16 HydrophobicContact CG1-SD 4.06Å; V12-M16 WeakPolarHBondContact O-CB 3.39Å; V12-M16 WeakPolarHBondContact O-CG 3.37Å; V12-M16 PolarHBondContact O-N 3.49Å; V12-L38 HydrophobicContact CB-CD2 4.43Å; V12-L38 HydrophobicContact CG1-CD2 3.97Å; V12-F39 HydrophobicContact CG2-CE2 4.44Å; V12-F39 HydrophobicContact CG2-CZ 4.28Å
13	K	94.5	Very high	91.3	Very high	114 Å²	114	76 Å²	76	50%	0.496	38%	0.384	S	S	.	.	H	α-helix	trans	-58.1	-44.1	177.3	-70.4	-174.9	-178.4	-179.5	0	111.9	T7 N9 P10 A11 R17	T7-K13 WeakPolarHBondContact O-CE 3.49Å; T7-K13 WeakPolarHBondContact O-CG 3.4Å; N9-K13 PolarHBondContact O-N 3.24Å; P10-K13 PolarHBondContact O-N 2.69Å; A11-K13 PolarHBondContact O-N 3.4Å; K13-R17 PolarHBondContact O-N 3.33Å
14	R	96.8	Very high	92.7	Very high	44 Å²	44	77.8 Å²	77.8	17%	0.166	37%	0.373	C	S	.	.	H	α-helix	trans	-61	-49.5	177.3	174.4	63.5	-175.1	-89.1	-20.5	110.9	P10 A11 V12 R17 E18 Y68 P69 P104 W106	P10-R14 WeakPolarHBondContact O-CB 3.35Å; P10-R14 PolarHBondContact O-N 3.41Å; A11-R14 WeakPolarHBondContact O-CB 3.48Å; A11-R14 PolarHBondContact O-N 2.96Å; V12-R14 VanDerWaalsContact C-N 3.32Å; V12-R14 PolarHBondContact O-N 3.25Å; R14-R17 WeakPolarHBondContact O-CB 3.39Å; R14-R17 PolarHBondContact O-N 3.05Å; R14-E18 IonicContact CZ-OE1 3.54Å; R14-E18 IonicContact NE-OE1 2.86Å; R14-E18 PolarHBondContact NE-OE1 3.46Å; R14-E18 IonicContact NH2-OE1 3.73Å; R14-E18 PolarHBondContact NH2-OE1 3.2Å; R14-E18 PolarHBondContact O-N 3.5Å; R14-Y68 HydrophobicContact CG-CD1 4.13Å; R14-Y68 HydrophobicContact CG-CE1 3.78Å; R14-Y68 PolarHBondContact NH2-OH 3.3Å; R14-P69 HydrophobicContact CG-CB 4.43Å; R14-P69 HydrophobicContact CG-CG 4.18Å; R14-P104 PolarHBondContact NH1-O 3.22Å; R14-W106 PolarHBondContact NH2-O 3.29Å
15	L	96.8	Very high	93.5	Very high	0 Å²	0	76 Å²	76	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-67.7	-37.4	-177.3	-68.9	171.6	0	0	0	113	A11 V12 R17 E18 A19 L38 F39 L64 Y68 I108	A11-L15 WeakPolarHBondContact O-CB 3.21Å; A11-L15 VanDerWaalsContact O-CG 3.27Å; A11-L15 WeakPolarHBondContact O-CG 3.32Å; A11-L15 PolarHBondContact O-N 2.99Å; V12-L15 PolarHBondContact O-N 3.45Å; L15-R17 VanDerWaalsContact C-N 3.31Å; L15-R17 PolarHBondContact O-N 3.4Å; L15-E18 PolarHBondContact O-N 3.5Å; L15-A19 WeakPolarHBondContact O-CB 3.32Å; L15-A19 PolarHBondContact O-N 3.45Å; L15-L38 HydrophobicContact CB-CD1 4.02Å; L15-L38 HydrophobicContact CB-CD2 3.81Å; L15-L38 HydrophobicContact CB-CG 3.69Å; L15-L38 HydrophobicContact CD1-CD2 4.43Å; L15-L38 HydrophobicContact CD1-CG 4.06Å; L15-F39 HydrophobicContact CD1-CD1 3.78Å; L15-F39 HydrophobicContact CD1-CE1 3.72Å; L15-F39 HydrophobicContact CD1-CG 4.27Å; L15-F39 HydrophobicContact CD1-CZ 4.15Å; L15-L64 HydrophobicContact CD1-CD1 4.38Å; L15-L64 HydrophobicContact CD2-CD1 3.61Å; L15-L64 HydrophobicContact CD2-CD2 4.06Å; L15-L64 HydrophobicContact CD2-CG 4.33Å; L15-Y68 HydrophobicContact CD2-CD1 3.57Å; L15-Y68 HydrophobicContact CD2-CE1 3.64Å; L15-Y68 HydrophobicContact CD2-CG 4.49Å; L15-Y68 HydrophobicContact CG-CD1 3.96Å; L15-Y68 HydrophobicContact CG-CE1 4.38Å; L15-I108 HydrophobicContact CD2-CD1 4.35Å
16	M	94.2	Very high	94.2	Very high	50 Å²	50	75.5 Å²	75.5	25%	0.246	37%	0.371	C	S	.	.	H	α-helix	trans	-62.5	-39.1	173.4	-74.1	-176.3	172.7	0	0	111.9	T7 V12 A19 M20 L38	T7-M16 HydrophobicContact CG2-CE 4.29Å; T7-M16 HydrophobicContact CG2-SD 4.47Å; V12-M16 HydrophobicContact CG1-CE 3.76Å; V12-M16 HydrophobicContact CG1-CG 4.35Å; V12-M16 HydrophobicContact CG1-SD 4.06Å; V12-M16 WeakPolarHBondContact O-CB 3.39Å; V12-M16 WeakPolarHBondContact O-CG 3.37Å; V12-M16 PolarHBondContact O-N 3.49Å; M16-A19 PolarHBondContact O-N 3.13Å; M16-M20 PolarHBondContact O-N 3.18Å; M16-L38 HydrophobicContact CG-CD2 4.07Å
17	R	95.9	Very high	94.7	Very high	180 Å²	180	72.2 Å²	72.2	68%	0.679	35%	0.352	S	S	*	.	H	α-helix	trans	-63.6	-46.1	174.7	-173.3	-173.4	-58.2	176.9	0.8	111.6	K13 R14 L15 A19 M20 E21	K13-R17 PolarHBondContact O-N 3.33Å; R14-R17 WeakPolarHBondContact O-CB 3.39Å; R14-R17 PolarHBondContact O-N 3.05Å; L15-R17 VanDerWaalsContact C-N 3.31Å; L15-R17 PolarHBondContact O-N 3.4Å; R17-A19 VanDerWaalsContact C-N 3.33Å; R17-A19 PolarHBondContact O-N 2.96Å; R17-M20 WeakPolarHBondContact O-CB 3.35Å; R17-M20 PolarHBondContact O-N 3Å; R17-E21 PolarHBondContact O-N 3.24Å
18	E	97.4	Very high	95.3	Very high	3 Å²	3	69.5 Å²	69.5	1%	0.014	34%	0.335	C	S	.	.	H	α-helix	trans	-65.2	-36.1	177.3	-69.8	-166.1	-143.1	0	0	112.5	R14 L15 M20 E21 L22 W41 Y68 I108	R14-E18 IonicContact CZ-OE1 3.54Å; R14-E18 IonicContact NE-OE1 2.86Å; R14-E18 PolarHBondContact NE-OE1 3.46Å; R14-E18 IonicContact NH2-OE1 3.73Å; R14-E18 PolarHBondContact NH2-OE1 3.2Å; R14-E18 PolarHBondContact O-N 3.5Å; L15-E18 PolarHBondContact O-N 3.5Å; E18-M20 VanDerWaalsContact C-N 3.27Å; E18-M20 PolarHBondContact O-N 3.01Å; E18-E21 PolarHBondContact O-N 3.46Å; E18-L22 VanDerWaalsContact O-CB 3.29Å; E18-L22 WeakPolarHBondContact O-CB 3.28Å; E18-L22 WeakPolarHBondContact O-CG 3.44Å; E18-L22 PolarHBondContact O-N 2.88Å; E18-W41 HydrophobicContact CB-CH2 4.46Å; E18-Y68 WeakPolarHBondContact OE1-CE1 3.37Å; E18-Y68 PolarHBondContact OE1-OH 3.27Å; E18-I108 WeakPolarHBondContact OE2-CB 3.44Å; E18-I108 WeakPolarHBondContact OE2-CG1 3.5Å; E18-I108 PolarHBondContact OE2-N 3.23Å
19	A	96	Very high	95.8	Very high	29 Å²	29	62.8 Å²	62.8	24%	0.24	30%	0.304	C	S	.	.	H	α-helix	trans	-64.3	-34.3	174.4	0	0	0	0	0	112.1	L15 M16 R17 R23 W41	L15-A19 WeakPolarHBondContact O-CB 3.32Å; L15-A19 PolarHBondContact O-N 3.45Å; M16-A19 PolarHBondContact O-N 3.13Å; R17-A19 VanDerWaalsContact C-N 3.33Å; R17-A19 PolarHBondContact O-N 2.96Å; A19-R23 PolarHBondContact O-N 2.66Å; A19-W41 HydrophobicContact CB-CH2 3.75Å; A19-W41 HydrophobicContact CB-CZ2 4.04Å
20	M	95.5	Very high	96.1	Very high	157 Å²	157	61.2 Å²	61.2	77%	0.773	30%	0.297	S	S	*	.	H	α-helix	trans	-69.3	-43.6	172.7	-170.6	177	-177	0	0	111.6	M16 R17 E18 R23	M16-M20 PolarHBondContact O-N 3.18Å; R17-M20 WeakPolarHBondContact O-CB 3.35Å; R17-M20 PolarHBondContact O-N 3Å; E18-M20 VanDerWaalsContact C-N 3.27Å; E18-M20 PolarHBondContact O-N 3.01Å; M20-R23 WeakPolarHBondContact O-CB 3.29Å; M20-R23 PolarHBondContact O-N 3.16Å
21	E	96.6	Very high	96.3	Very high	109 Å²	109	56.7 Å²	56.7	51%	0.509	27%	0.268	S	S	.	.	H	α-helix	trans	-61.7	-41.4	177	-173.7	-173.3	154.4	0	0	112	R17 E18 R109	R17-E21 PolarHBondContact O-N 3.24Å; E18-E21 PolarHBondContact O-N 3.46Å; E21-R109 VanDerWaalsContact OE1-CD 3.27Å; E21-R109 WeakPolarHBondContact OE1-CD 3.33Å
22	L	96.8	Very high	96.4	Very high	12 Å²	12	58.9 Å²	58.9	6%	0.063	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	8.8	-174.8	-65.6	170.5	0	0	0	114	E18 N24 F29 A31 W41 I108 R109	E18-L22 VanDerWaalsContact O-CB 3.29Å; E18-L22 WeakPolarHBondContact O-CB 3.28Å; E18-L22 WeakPolarHBondContact O-CG 3.44Å; E18-L22 PolarHBondContact O-N 2.88Å; L22-N24 PolarHBondContact O-N 2.6Å; L22-N24 VanDerWaalsContact O-N 3.13Å; L22-F29 HydrophobicContact CD2-CE2 3.69Å; L22-A31 HydrophobicContact CD1-CB 4.43Å; L22-W41 HydrophobicContact CB-CZ3 4.47Å; L22-W41 HydrophobicContact CD1-CH2 4.37Å; L22-W41 HydrophobicContact CD1-CZ3 3.91Å; L22-I108 HydrophobicContact CD1-CB 3.78Å; L22-I108 HydrophobicContact CD1-CG2 3.6Å; L22-R109 HydrophobicContact CD2-CB 4.06Å
23	R	94	Very high	96.4	Very high	199 Å²	199	59.9 Å²	59.9	75%	0.751	29%	0.292	S	S	*	.	S	Bend	trans	-55	-35.9	-174	178.7	177.8	174.9	-178.9	-1.3	113.4	A19 M20	A19-R23 PolarHBondContact O-N 2.66Å; M20-R23 WeakPolarHBondContact O-CB 3.29Å; M20-R23 PolarHBondContact O-N 3.16Å
24	N	94.6	Very high	96.3	Very high	123 Å²	123	55.1 Å²	55.1	66%	0.658	27%	0.272	S	S	*	.	S	Bend	trans	-106.2	132.8	-177	-64.1	-39.9	0	0	0	110.5	L22 T26	L22-N24 PolarHBondContact O-N 2.6Å; L22-N24 VanDerWaalsContact O-N 3.13Å; N24-T26 PolarHBondContact O-N 2.79Å
25	P	96.2	Very high	95.4	Very high	60 Å²	60	58.8 Å²	58.8	39%	0.39	30%	0.295	S	S	.	.			trans	-54.7	137.4	171.1	-23.9	32.1	0	0	0	112.1	V30	P25-V30 HydrophobicContact CB-CB 3.97Å; P25-V30 HydrophobicContact CB-CG2 4.11Å; P25-V30 HydrophobicContact CG-CB 4.2Å; P25-V30 HydrophobicContact CG-CG2 3.81Å
26	T	97.5	Very high	94.6	Very high	33 Å²	33	65 Å²	65	20%	0.202	32%	0.324	C	S	.	.			trans	-91.2	171.3	164.5	73.3	0	0	0	0	109.6	N24 L28 F29 P161 M170	N24-T26 PolarHBondContact O-N 2.79Å; T26-L28 PolarHBondContact O-N 3.28Å; T26-L28 PolarHBondContact OG1-N 3.4Å; T26-F29 HydrophobicContact CG2-CE1 4.4Å; T26-F29 HydrophobicContact CG2-CE2 3.97Å; T26-F29 HydrophobicContact CG2-CZ 3.87Å; T26-F29 PolarHBondContact N-O 2.94Å; T26-F29 PolarHBondContact OG1-N 3.4Å; T26-F29 PolarHBondContact OG1-O 3.31Å; T26-P161 WeakPolarHBondContact O-CD 3.48Å; T26-M170 HydrophobicContact CG2-CE 4.12Å; T26-M170 HydrophobicContact CG2-SD 4.36Å
27	E	97.7	Very high	94.5	Very high	31 Å²	31	65.4 Å²	65.4	15%	0.145	33%	0.327	C	S	.	.	S	Bend	trans	-65.5	-20.5	173.5	-58.1	-178.5	-179.5	0	0	113.2	R46 P161 L163 T164 S167	E27-R46 PolarHBondContact O-NE 2.89Å; E27-P161 HydrophobicContact CG-CB 4.42Å; E27-L163 HydrophobicContact CB-CD2 3.93Å; E27-L163 WeakPolarHBondContact OE2-CA 3.17Å; E27-T164 VanDerWaalsContact CD-N 3.34Å; E27-T164 WeakPolarHBondContact OE1-CB 3.45Å; E27-T164 WeakPolarHBondContact OE1-CG2 3.38Å; E27-T164 PolarHBondContact OE1-N 3.25Å; E27-T164 PolarHBondContact OE1-OG1 3.07Å; E27-T164 PolarHBondContact OE2-N 3.49Å; E27-S167 WeakPolarHBondContact OE2-CB 3.38Å; E27-S167 PolarHBondContact OE2-OG 3.22Å
28	L	97.9	Very high	94.4	Very high	6 Å²	6	57.2 Å²	57.2	3%	0.031	30%	0.297	C	S	.	.	S	Bend	trans	-100.9	-32.5	-176.4	-60.6	-170.4	0	0	0	113.5	T26 I45 R46 L113 I116 L163 M170 R171	T26-L28 PolarHBondContact O-N 3.28Å; T26-L28 PolarHBondContact OG1-N 3.4Å; L28-I45 CarbonylContact O-C 3.5Å; L28-I45 WeakPolarHBondContact O-CA 3.31Å; L28-R46 PolarHBondContact O-N 2.92Å; L28-L113 HydrophobicContact CD1-CD2 4.44Å; L28-I116 HydrophobicContact CB-CD1 4.1Å; L28-L163 HydrophobicContact CD2-CD2 3.68Å; L28-M170 HydrophobicContact CB-SD 4.28Å; L28-M170 HydrophobicContact CD1-CB 3.91Å; L28-M170 HydrophobicContact CD1-CG 3.68Å; L28-M170 HydrophobicContact CD1-SD 3.86Å; L28-M170 HydrophobicContact CG-SD 4.16Å; L28-R171 HydrophobicContact CD1-CG 3.74Å; L28-R171 HydrophobicContact CD2-CG 3.72Å; L28-R171 HydrophobicContact CG-CG 4.33Å
29	F	98.3	Very high	94.3	Very high	3 Å²	3	58.8 Å²	58.8	1%	0.013	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	160.9	-177.6	63.5	-97.3	0	0	0	113.5	L22 T26 T44 I45 R109 L112 L113 I116 L160 M170	L22-F29 HydrophobicContact CD2-CE2 3.69Å; T26-F29 HydrophobicContact CG2-CE1 4.4Å; T26-F29 HydrophobicContact CG2-CE2 3.97Å; T26-F29 HydrophobicContact CG2-CZ 3.87Å; T26-F29 PolarHBondContact N-O 2.94Å; T26-F29 PolarHBondContact OG1-N 3.4Å; T26-F29 PolarHBondContact OG1-O 3.31Å; F29-T44 CarbonylContact C-O 3.55Å; F29-T44 WeakPolarHBondContact CA-O 3.5Å; F29-T44 WeakPolarHBondContact CB-O 3.47Å; F29-I45 HydrophobicContact CB-CG2 3.95Å; F29-R109 HydrophobicContact CE2-CG 4.47Å; F29-R109 HydrophobicContact CZ-CG 3.83Å; F29-L112 HydrophobicContact CB-CB 4.49Å; F29-L112 HydrophobicContact CB-CD1 4.29Å; F29-L112 HydrophobicContact CD1-CB 4.32Å; F29-L112 HydrophobicContact CD2-CB 4.39Å; F29-L112 HydrophobicContact CD2-CD1 3.47Å; F29-L112 VanDerWaalsContact CD2-CD1 3.47Å; F29-L112 HydrophobicContact CE2-CD1 4.05Å; F29-L112 HydrophobicContact CG-CB 4.13Å; F29-L112 HydrophobicContact CG-CD1 3.94Å; F29-L113 HydrophobicContact CD1-CD2 4.19Å; F29-L113 HydrophobicContact CE1-CD2 3.73Å; F29-L113 HydrophobicContact CE1-CG 4.01Å; F29-I116 HydrophobicContact CB-CD1 4.49Å; F29-I116 HydrophobicContact CD1-CD1 4.14Å; F29-L160 VanDerWaalsContact C-CD2 3.47Å; F29-M170 HydrophobicContact CD1-SD 4.5Å; F29-M170 HydrophobicContact CE1-SD 3.72Å; F29-M170 HydrophobicContact CZ-SD 4.33Å
30	V	98	Very high	94.3	Very high	26 Å²	26	59.6 Å²	59.6	16%	0.158	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	148.9	163.7	62.1	0	0	0	0	108.5	P25 F43 T44 V159 L160	P25-V30 HydrophobicContact CB-CB 3.97Å; P25-V30 HydrophobicContact CB-CG2 4.11Å; P25-V30 HydrophobicContact CG-CB 4.2Å; P25-V30 HydrophobicContact CG-CG2 3.81Å; V30-F43 CarbonylContact O-C 3.52Å; V30-F43 WeakPolarHBondContact O-CA 3.45Å; V30-F43 WeakPolarHBondContact O-CB 3.42Å; V30-T44 PolarHBondContact N-O 3.43Å; V30-T44 PolarHBondContact O-N 3.37Å; V30-V159 HydrophobicContact CG1-CG2 3.6Å; V30-L160 HydrophobicContact CB-CD2 4.05Å; V30-L160 HydrophobicContact CG1-CD2 3.89Å
31	A	98	Very high	94.4	Very high	4 Å²	4	52.1 Å²	52.1	3%	0.033	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	143.7	170.1	0	0	0	0	0	110.7	L22 W41 H42 F43 I108 L112	L22-A31 HydrophobicContact CD1-CB 4.43Å; A31-W41 HydrophobicContact CB-CE3 4.05Å; A31-W41 HydrophobicContact CB-CZ3 4.33Å; A31-H42 VanDerWaalsContact CA-O 3.32Å; A31-H42 WeakPolarHBondContact CA-O 3.3Å; A31-F43 HydrophobicContact CB-CB 3.84Å; A31-I108 HydrophobicContact CB-CG2 4.17Å; A31-L112 HydrophobicContact CB-CD1 3.69Å
32	A	96.3	Very high	94.5	Very high	50 Å²	50	47.6 Å²	47.6	41%	0.413	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	148.3	177.4	0	0	0	0	0	110.9	W41 H42	A32-W41 CarbonylContact O-C 3.59Å; A32-W41 VanDerWaalsContact O-CA 3.29Å; A32-W41 WeakPolarHBondContact O-CA 3.07Å; A32-W41 WeakPolarHBondContact O-CB 3.32Å; A32-H42 PolarHBondContact N-O 3.15Å; A32-H42 PolarHBondContact O-N 3.46Å
33	P	96.1	Very high	94.6	Very high	24 Å²	24	47.1 Å²	47.1	16%	0.156	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	144.8	170	27.1	-33.3	0	0	0	110.4	M1 L38 E40 W41	M1-P33 HydrophobicContact CE-CG 4.27Å; P33-L38 HydrophobicContact CB-CD1 4.37Å; P33-L38 HydrophobicContact CG-CD1 4.46Å; P33-E40 CarbonylContact C-O 3.59Å; P33-E40 WeakPolarHBondContact CA-O 3.31Å; P33-W41 HydrophobicContact CB-CD2 4.17Å; P33-W41 HydrophobicContact CB-CG 4.3Å; P33-W41 HydrophobicContact CB-CZ2 4.4Å; P33-W41 HydrophobicContact CG-CZ2 4.38Å
34	L	91.7	Very high	94.8	Very high	14 Å²	14	37.7 Å²	37.7	7%	0.073	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	126.5	173	-78	-175.9	0	0	0	110.2	E36 N37 E40 H42 V151 C152	L34-E36 PolarHBondContact O-N 3.03Å; L34-N37 PolarHBondContact O-N 3.35Å; L34-E40 HydrophobicContact CD1-CG 3.91Å; L34-E40 PolarHBondContact N-O 3.45Å; L34-H42 WeakPolarHBondContact CD1-CD2 3.4Å; L34-H42 WeakPolarHBondContact CD1-NE2 3.39Å; L34-H42 HydrophobicContact CD2-CB 4.06Å; L34-H42 HydrophobicContact CG-CB 4.45Å; L34-H42 VanDerWaalsContact CG-CD2 3.46Å; L34-H42 WeakPolarHBondContact CG-CD2 3.39Å; L34-V151 HydrophobicContact CD1-CG1 4.13Å; L34-V151 HydrophobicContact CD2-CG1 4.43Å; L34-C152 HydrophobicContact CD2-CB 4.01Å
35	N	77.5	Confident	95	Very high	121 Å²	121	31.9 Å²	31.9	65%	0.647	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.2	-121.1	168.9	-58.1	-28.7	0	0	0	112.6
36	E	80.2	Confident	95	Very high	130 Å²	130	30.7 Å²	30.7	61%	0.607	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.5	4.6	-179.9	-75.3	-173.2	-165.3	0	0	112.7	Q4 Y5 L34	Q4-E36 PolarHBondContact NE2-OE2 2.99Å; Q4-E36 VanDerWaalsContact OE1-CB 3.27Å; Q4-E36 PolarHBondContact OE1-O 2.9Å; Y5-E36 PolarHBondContact OH-O 3.28Å; L34-E36 PolarHBondContact O-N 3.03Å
37	N	91.6	Very high	95.1	Very high	60 Å²	60	29.3 Å²	29.3	32%	0.321	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	99.6	-179.6	-170.4	-1.3	0	0	0	111.8	Y5 L34 F39 E40	Y5-N37 WeakPolarHBondContact OH-CA 3.44Å; L34-N37 PolarHBondContact O-N 3.35Å; N37-F39 PolarHBondContact O-N 2.61Å; N37-F39 WeakPolarHBondContact OD1-CB 3.48Å; N37-F39 PolarHBondContact OD1-N 3.37Å; N37-E40 HydrophobicContact CB-CB 4.29Å; N37-E40 WeakPolarHBondContact ND2-CB 3.22Å; N37-E40 PolarHBondContact O-N 2.84Å; N37-E40 VanDerWaalsContact O-O 3.05Å
38	L	94.1	Very high	95	Very high	7 Å²	7	28.7 Å²	28.7	4%	0.037	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	-16.9	178.6	-170.3	60.9	0	0	0	112.9	Y5 V12 L15 M16 P33 W41	Y5-L38 HydrophobicContact CD1-CB 4.49Å; Y5-L38 HydrophobicContact CD2-CB 4.36Å; Y5-L38 HydrophobicContact CD2-CD2 4.43Å; Y5-L38 HydrophobicContact CE1-CB 3.92Å; Y5-L38 HydrophobicContact CE2-CB 3.8Å; Y5-L38 HydrophobicContact CG-CD2 4.41Å; Y5-L38 PolarHBondContact OH-N 2.96Å; V12-L38 HydrophobicContact CB-CD2 4.43Å; V12-L38 HydrophobicContact CG1-CD2 3.97Å; L15-L38 HydrophobicContact CB-CD1 4.02Å; L15-L38 HydrophobicContact CB-CD2 3.81Å; L15-L38 HydrophobicContact CB-CG 3.69Å; L15-L38 HydrophobicContact CD1-CD2 4.43Å; L15-L38 HydrophobicContact CD1-CG 4.06Å; M16-L38 HydrophobicContact CG-CD2 4.07Å; P33-L38 HydrophobicContact CB-CD1 4.37Å; P33-L38 HydrophobicContact CG-CD1 4.46Å; L38-W41 PolarHBondContact O-NE1 3.4Å
39	F	95.8	Very high	94.8	Very high	36 Å²	36	30.2 Å²	30.2	16%	0.158	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	-1.1	-178.8	-65.6	-92.2	0	0	0	113.3	Y5 A11 V12 L15 N37 L64	Y5-F39 HydrophobicContact CD1-CE2 4.41Å; Y5-F39 HydrophobicContact CE1-CD2 4.29Å; Y5-F39 HydrophobicContact CE1-CE2 4.05Å; A11-F39 HydrophobicContact CB-CE1 4.16Å; A11-F39 HydrophobicContact CB-CZ 4.32Å; V12-F39 HydrophobicContact CG2-CE2 4.44Å; V12-F39 HydrophobicContact CG2-CZ 4.28Å; L15-F39 HydrophobicContact CD1-CD1 3.78Å; L15-F39 HydrophobicContact CD1-CE1 3.72Å; L15-F39 HydrophobicContact CD1-CG 4.27Å; L15-F39 HydrophobicContact CD1-CZ 4.15Å; N37-F39 PolarHBondContact O-N 2.61Å; N37-F39 WeakPolarHBondContact OD1-CB 3.48Å; N37-F39 PolarHBondContact OD1-N 3.37Å; F39-L64 HydrophobicContact CB-CB 4.38Å; F39-L64 HydrophobicContact CD1-CB 4.16Å; F39-L64 PolarHBondContact O-N 2.98Å
40	E	96.7	Very high	94.5	Very high	47 Å²	47	35.1 Å²	35.1	22%	0.22	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	124	174.7	-169.7	175.8	-177.9	0	0	109.4	P33 L34 N37 R61 I62	P33-E40 CarbonylContact C-O 3.59Å; P33-E40 WeakPolarHBondContact CA-O 3.31Å; L34-E40 HydrophobicContact CD1-CG 3.91Å; L34-E40 PolarHBondContact N-O 3.45Å; N37-E40 HydrophobicContact CB-CB 4.29Å; N37-E40 WeakPolarHBondContact ND2-CB 3.22Å; N37-E40 PolarHBondContact O-N 2.84Å; N37-E40 VanDerWaalsContact O-O 3.05Å; E40-R61 HydrophobicContact CG-CG 4.31Å; E40-R61 WeakPolarHBondContact OE1-CD 3.44Å; E40-R61 IonicContact OE1-CZ 3.42Å; E40-R61 IonicContact OE1-NE 3.6Å; E40-R61 IonicContact OE1-NH1 3.65Å; E40-R61 PolarHBondContact OE1-NH1 3.23Å; E40-I62 WeakPolarHBondContact CA-O 3.46Å
41	W	97.7	Very high	94.4	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	145.9	-173.8	-73.7	55.5	0	0	0	110.1	E18 A19 L22 A31 A32 P33 L38 R61 I62 L64 I108	E18-W41 HydrophobicContact CB-CH2 4.46Å; A19-W41 HydrophobicContact CB-CH2 3.75Å; A19-W41 HydrophobicContact CB-CZ2 4.04Å; L22-W41 HydrophobicContact CB-CZ3 4.47Å; L22-W41 HydrophobicContact CD1-CH2 4.37Å; L22-W41 HydrophobicContact CD1-CZ3 3.91Å; A31-W41 HydrophobicContact CB-CE3 4.05Å; A31-W41 HydrophobicContact CB-CZ3 4.33Å; A32-W41 CarbonylContact O-C 3.59Å; A32-W41 VanDerWaalsContact O-CA 3.29Å; A32-W41 WeakPolarHBondContact O-CA 3.07Å; A32-W41 WeakPolarHBondContact O-CB 3.32Å; P33-W41 HydrophobicContact CB-CD2 4.17Å; P33-W41 HydrophobicContact CB-CG 4.3Å; P33-W41 HydrophobicContact CB-CZ2 4.4Å; P33-W41 HydrophobicContact CG-CZ2 4.38Å; L38-W41 PolarHBondContact O-NE1 3.4Å; W41-R61 CarbonylContact O-C 3.54Å; W41-R61 WeakPolarHBondContact O-CA 3.34Å; W41-R61 WeakPolarHBondContact O-CG 3.35Å; W41-I62 HydrophobicContact CB-CB 4.08Å; W41-I62 HydrophobicContact CB-CG2 4.49Å; W41-I62 PolarHBondContact N-O 3.45Å; W41-I62 PolarHBondContact O-N 3.38Å; W41-L64 HydrophobicContact CG-CD1 4.23Å; W41-I108 HydrophobicContact CD2-CD1 3.8Å; W41-I108 HydrophobicContact CE3-CD1 3.92Å; W41-I108 HydrophobicContact CG-CD1 4.44Å; W41-I108 HydrophobicContact CH2-CD1 3.82Å; W41-I108 HydrophobicContact CZ2-CD1 3.75Å; W41-I108 HydrophobicContact CZ3-CD1 3.93Å
42	H	97.7	Very high	94.4	Very high	14 Å²	14	36.8 Å²	36.8	7%	0.065	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	146.1	164.9	-84.8	-147.8	0	0	0	109.4	A31 A32 L34 H59 G60 C149 C152	A31-H42 VanDerWaalsContact CA-O 3.32Å; A31-H42 WeakPolarHBondContact CA-O 3.3Å; A32-H42 PolarHBondContact N-O 3.15Å; A32-H42 PolarHBondContact O-N 3.46Å; L34-H42 WeakPolarHBondContact CD1-CD2 3.4Å; L34-H42 WeakPolarHBondContact CD1-NE2 3.39Å; L34-H42 HydrophobicContact CD2-CB 4.06Å; L34-H42 HydrophobicContact CG-CB 4.45Å; L34-H42 VanDerWaalsContact CG-CD2 3.46Å; L34-H42 WeakPolarHBondContact CG-CD2 3.39Å; H42-H59 AromaticContact CE1-NE2 3.78Å; H42-H59 AromaticContact CG-NE2 3.58Å; H42-H59 AromaticContact ND1-CD2 3.87Å; H42-H59 AromaticContact ND1-CE1 3.73Å; H42-H59 AromaticContact ND1-NE2 2.88Å; H42-H59 PolarHBondContact ND1-NE2 3.49Å; H42-G60 WeakPolarHBondContact CA-O 3.36Å; H42-C149 VanDerWaalsContact CE1-SG 3.51Å; H42-C152 PolarHBondContact ND1-SG 2.85Å; H42-C152 VanDerWaalsContact ND1-SG 3.43Å
43	F	98.3	Very high	94.5	Very high	1 Å²	1	34.5 Å²	34.5	0%	0.004	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	155.3	175.8	70.7	-94.5	0	0	0	110.9	V30 A31 I45 H59 G60 I62 I75 M77 L112 I115	V30-F43 CarbonylContact O-C 3.52Å; V30-F43 WeakPolarHBondContact O-CA 3.45Å; V30-F43 WeakPolarHBondContact O-CB 3.42Å; A31-F43 HydrophobicContact CB-CB 3.84Å; F43-I45 HydrophobicContact CD2-CG2 3.9Å; F43-I45 HydrophobicContact CE2-CG1 4.45Å; F43-I45 HydrophobicContact CE2-CG2 4.13Å; F43-H59 CarbonylContact O-C 3.52Å; F43-H59 WeakPolarHBondContact O-CA 3.43Å; F43-H59 PolarHBondContact O-CE1 3.27Å; F43-H59 PolarHBondContact O-ND1 3.45Å; F43-G60 VanDerWaalsContact CD1-C 3.47Å; F43-G60 PolarHBondContact N-O 2.95Å; F43-G60 PolarHBondContact O-N 3.44Å; F43-I62 HydrophobicContact CD1-CD1 3.62Å; F43-I62 HydrophobicContact CD1-CG1 3.67Å; F43-I62 HydrophobicContact CE1-CD1 4.18Å; F43-I62 HydrophobicContact CE1-CG1 3.84Å; F43-I62 HydrophobicContact CG-CD1 4.33Å; F43-I75 HydrophobicContact CE1-CG2 3.98Å; F43-I75 HydrophobicContact CZ-CG2 4Å; F43-M77 HydrophobicContact CE2-SD 4.12Å; F43-M77 HydrophobicContact CZ-SD 3.87Å; F43-L112 HydrophobicContact CB-CD2 3.62Å; F43-L112 HydrophobicContact CD1-CD2 4.08Å; F43-L112 HydrophobicContact CD2-CD2 3.5Å; F43-L112 VanDerWaalsContact CD2-CD2 3.5Å; F43-L112 HydrophobicContact CE2-CD2 4.11Å; F43-L112 HydrophobicContact CG-CD2 3.46Å; F43-L112 VanDerWaalsContact CG-CD2 3.46Å; F43-I115 HydrophobicContact CE2-CD1 4.38Å; F43-I115 HydrophobicContact CZ-CD1 4.08Å
44	T	98.5	Very high	94.6	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.012	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	133.1	168.4	-60.6	0	0	0	0	108.8	F29 V30 I57 F58 H59 M156 V159 L160	F29-T44 CarbonylContact C-O 3.55Å; F29-T44 WeakPolarHBondContact CA-O 3.5Å; F29-T44 WeakPolarHBondContact CB-O 3.47Å; V30-T44 PolarHBondContact N-O 3.43Å; V30-T44 PolarHBondContact O-N 3.37Å; T44-I57 HydrophobicContact CG2-CG2 3.27Å; T44-F58 CarbonylContact C-O 3.55Å; T44-F58 WeakPolarHBondContact CA-O 3.09Å; T44-H59 PolarHBondContact OG1-ND1 3.02Å; T44-M156 HydrophobicContact CG2-SD 3.71Å; T44-V159 HydrophobicContact CG2-CG1 3.62Å; T44-L160 HydrophobicContact CG2-CD1 4.4Å; T44-L160 HydrophobicContact CG2-CG 4.47Å
45	I	98.4	Very high	94.8	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	151.2	176	59.8	175.2	0	0	0	111.1	L28 F29 F43 I57 F58 M77 L112 I115 I116 M119	L28-I45 CarbonylContact O-C 3.5Å; L28-I45 WeakPolarHBondContact O-CA 3.31Å; F29-I45 HydrophobicContact CB-CG2 3.95Å; F43-I45 HydrophobicContact CD2-CG2 3.9Å; F43-I45 HydrophobicContact CE2-CG1 4.45Å; F43-I45 HydrophobicContact CE2-CG2 4.13Å; I45-I57 WeakPolarHBondContact O-CA 3.37Å; I45-F58 HydrophobicContact CG1-CB 4.16Å; I45-F58 PolarHBondContact N-O 3.46Å; I45-F58 PolarHBondContact O-N 2.85Å; I45-M77 HydrophobicContact CD1-CE 4.32Å; I45-L112 HydrophobicContact CG2-CD2 4.21Å; I45-I115 HydrophobicContact CD1-CB 4.42Å; I45-I115 HydrophobicContact CD1-CG2 3.53Å; I45-I116 HydrophobicContact CB-CD1 4.15Å; I45-I116 HydrophobicContact CB-CG1 3.87Å; I45-I116 HydrophobicContact CD1-CG1 4.21Å; I45-I116 HydrophobicContact CG2-CD1 4.04Å; I45-I116 HydrophobicContact CG2-CG1 3.95Å; I45-M119 HydrophobicContact CD1-CE 3.93Å; I45-M119 HydrophobicContact CD1-SD 4.44Å; I45-M119 HydrophobicContact CG1-CE 4.49Å
46	R	98.2	Very high	95.8	Very high	36 Å²	36	33 Å²	33	14%	0.136	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	138.5	168.4	-172.4	179.6	-66.1	-82.2	0.8	110.1	E27 L28 I57 L160 P161	E27-R46 PolarHBondContact O-NE 2.89Å; L28-R46 PolarHBondContact O-N 2.92Å; R46-I57 HydrophobicContact CB-CD1 4.1Å; R46-I57 HydrophobicContact CG-CD1 3.92Å; R46-L160 HydrophobicContact CB-CD1 3.86Å; R46-P161 PolarHBondContact NH2-O 3.27Å
47	G	97.8	Very high	96.6	Very high	3 Å²	3	27 Å²	27	3%	0.031	16%	0.155	C	C	.	.	P	Polyproline II helix	trans	-64.7	141	171.4	0	0	0	0	0	112.8	A49 F53 G56	G47-A49 PolarHBondContact O-N 3.24Å; G47-F53 WeakPolarHBondContact CA-O 3.46Å; G47-G56 PolarHBondContact N-O 2.94Å
48	P	96.8	Very high	97	Very high	18 Å²	18	24.1 Å²	24.1	12%	0.117	14%	0.14	C	C	.	.	P	Polyproline II helix	trans	-56.3	133.4	176.2	-26.3	34.1	0	0	0	112.2	D50 S51 N54 I116 P120	P48-D50 PolarHBondContact O-N 3.45Å; P48-S51 PolarHBondContact O-N 3.41Å; P48-S51 PolarHBondContact O-OG 2.87Å; P48-N54 PolarHBondContact O-N 3.41Å; P48-I116 HydrophobicContact CG-CG2 3.91Å; P48-I116 WeakPolarHBondContact CG-O 3.31Å; P48-P120 HydrophobicContact CB-CG 4.05Å; P48-P120 HydrophobicContact CG-CG 3.75Å
49	A	93.4	Very high	97.2	Very high	38 Å²	38	24 Å²	24	31%	0.314	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-26.3	-174.7	0	0	0	0	0	113.5	G47 N54	G47-A49 PolarHBondContact O-N 3.24Å; A49-N54 WeakPolarHBondContact O-CB 3.44Å; A49-N54 VanDerWaalsContact O-CG 3.25Å; A49-N54 PolarHBondContact O-ND2 3.16Å; A49-N54 VanDerWaalsContact O-ND2 3.16Å
50	D	92.2	Very high	97.3	Very high	106 Å²	106	22.2 Å²	22.2	57%	0.567	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.2	40.6	179.2	58.1	-42	0	0	0	112.4	P48 K175	P48-D50 PolarHBondContact O-N 3.45Å; D50-K175 VanDerWaalsContact CG-NZ 3.29Å; D50-K175 WeakPolarHBondContact OD1-CE 3.35Å; D50-K175 IonicContact OD1-NZ 3.37Å; D50-K175 PolarHBondContact OD1-NZ 3.12Å; D50-K175 VanDerWaalsContact OD2-CE 3.31Å; D50-K175 WeakPolarHBondContact OD2-CE 3.3Å; D50-K175 IonicContact OD2-NZ 2.61Å; D50-K175 PolarHBondContact OD2-NZ 3.14Å
51	S	96.1	Very high	97.3	Very high	24 Å²	24	24.1 Å²	24.1	17%	0.168	14%	0.136	C	C	.	.	S	Bend	trans	-150.7	171.7	-178.6	74.4	0	0	0	0	112.6	P48 F53 N54	P48-S51 PolarHBondContact O-N 3.41Å; P48-S51 PolarHBondContact O-OG 2.87Å; S51-F53 PolarHBondContact O-N 3.26Å; S51-F53 VanDerWaalsContact O-N 3.09Å; S51-F53 WeakPolarHBondContact OG-CD2 3.45Å; S51-F53 PolarHBondContact OG-N 2.78Å; S51-N54 VanDerWaalsContact O-CB 3.28Å; S51-N54 WeakPolarHBondContact O-CB 3.15Å; S51-N54 PolarHBondContact O-N 3.25Å
52	D	97.5	Very high	97.3	Very high	41 Å²	41	24.1 Å²	24.1	22%	0.219	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-12.2	173	-60	-38	0	0	0	113.7	P134 R137 K138	D52-P134 WeakPolarHBondContact OD2-CA 3.11Å; D52-P134 VanDerWaalsContact OD2-CB 3.29Å; D52-P134 WeakPolarHBondContact OD2-CB 3.27Å; D52-R137 HydrophobicContact CB-CB 3.8Å; D52-R137 CarbonylContact O-C 3.57Å; D52-K138 HydrophobicContact CB-CG 4.14Å; D52-K138 WeakPolarHBondContact O-CA 3.21Å; D52-K138 PolarHBondContact O-N 3.21Å; D52-K138 WeakPolarHBondContact OD1-CE 3.28Å; D52-K138 IonicContact OD1-NZ 2.73Å
53	F	97.9	Very high	97.2	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.009	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-2	177.5	-52	-83.8	0	0	0	112.9	G47 S51 G55 G56 F58 N81 R83 M119 R137	G47-F53 WeakPolarHBondContact CA-O 3.46Å; S51-F53 PolarHBondContact O-N 3.26Å; S51-F53 VanDerWaalsContact O-N 3.09Å; S51-F53 WeakPolarHBondContact OG-CD2 3.45Å; S51-F53 PolarHBondContact OG-N 2.78Å; F53-G55 PolarHBondContact O-N 3.02Å; F53-G56 WeakPolarHBondContact O-CA 3.48Å; F53-G56 PolarHBondContact O-N 3.28Å; F53-F58 HydrophobicContact CB-CE2 4.01Å; F53-F58 HydrophobicContact CB-CZ 4.26Å; F53-F58 HydrophobicContact CD1-CE2 4.33Å; F53-F58 HydrophobicContact CD1-CZ 4.08Å; F53-N81 WeakPolarHBondContact CE1-O 3.45Å; F53-R83 HydrophobicContact CE1-CB 3.87Å; F53-R83 HydrophobicContact CZ-CB 3.71Å; F53-R83 HydrophobicContact CZ-CG 4.42Å; F53-M119 HydrophobicContact CB-CE 4.16Å; F53-M119 HydrophobicContact CD1-CE 4.48Å; F53-M119 HydrophobicContact CD1-SD 3.83Å; F53-M119 HydrophobicContact CD2-CB 3.92Å; F53-M119 HydrophobicContact CE1-SD 4.21Å; F53-M119 VanDerWaalsContact CE2-C 3.45Å; F53-M119 HydrophobicContact CE2-CB 4.04Å; F53-M119 WeakPolarHBondContact CE2-O 3.32Å; F53-M119 HydrophobicContact CG-CB 4.25Å; F53-M119 HydrophobicContact CG-CE 4.29Å; F53-M119 HydrophobicContact CG-SD 4.09Å; F53-M119 HydrophobicContact CZ-CB 4.43Å; F53-M119 WeakPolarHBondContact CZ-O 3.2Å; F53-R137 HydrophobicContact CE1-CB 4.44Å; F53-R137 HydrophobicContact CE1-CG 4.28Å; F53-R137 HydrophobicContact CZ-CG 4.3Å
54	N	97.6	Very high	97.1	Very high	93 Å²	93	26.6 Å²	26.6	50%	0.497	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	137.2	-179	-176.8	18.8	0	0	0	111.6	P48 A49 S51 G56	P48-N54 PolarHBondContact O-N 3.41Å; A49-N54 WeakPolarHBondContact O-CB 3.44Å; A49-N54 VanDerWaalsContact O-CG 3.25Å; A49-N54 PolarHBondContact O-ND2 3.16Å; A49-N54 VanDerWaalsContact O-ND2 3.16Å; S51-N54 VanDerWaalsContact O-CB 3.28Å; S51-N54 WeakPolarHBondContact O-CB 3.15Å; S51-N54 PolarHBondContact O-N 3.25Å; N54-G56 PolarHBondContact O-N 2.91Å
55	G	96.6	Very high	96.9	Very high	35 Å²	35	28 Å²	28	36%	0.361	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.4	-7.6	-174.9	0	0	0	0	0	114.5	F53	F53-G55 PolarHBondContact O-N 3.02Å
56	G	98.1	Very high	96.7	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.191	C	C	.	.			trans	-79.5	149.1	176.3	0	0	0	0	0	113.5	G47 F53 N54 A141 S144	G47-G56 PolarHBondContact N-O 2.94Å; F53-G56 WeakPolarHBondContact O-CA 3.48Å; F53-G56 PolarHBondContact O-N 3.28Å; N54-G56 PolarHBondContact O-N 2.91Å; G56-A141 WeakPolarHBondContact CA-O 3.45Å; G56-S144 WeakPolarHBondContact CA-OG 3.38Å
57	I	98.4	Very high	96.4	Very high	4 Å²	4	34.8 Å²	34.8	2%	0.021	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	111.4	176.2	-55.5	-68.3	0	0	0	107.7	T44 I45 R46 S144 L145 M156 V159 L160	T44-I57 HydrophobicContact CG2-CG2 3.27Å; I45-I57 WeakPolarHBondContact O-CA 3.37Å; R46-I57 HydrophobicContact CB-CD1 4.1Å; R46-I57 HydrophobicContact CG-CD1 3.92Å; I57-S144 PolarHBondContact N-OG 3.46Å; I57-S144 VanDerWaalsContact O-CB 3.27Å; I57-S144 WeakPolarHBondContact O-CB 3.44Å; I57-S144 PolarHBondContact O-OG 3.48Å; I57-L145 HydrophobicContact CB-CD2 4.34Å; I57-L145 HydrophobicContact CG1-CD2 3.62Å; I57-M156 HydrophobicContact CB-CB 4.01Å; I57-M156 HydrophobicContact CG2-CB 3.8Å; I57-M156 HydrophobicContact CG2-CG 4.31Å; I57-M156 WeakPolarHBondContact CG2-O 3.4Å; I57-M156 HydrophobicContact CG2-SD 4.03Å; I57-V159 HydrophobicContact CG2-CG1 4.07Å; I57-L160 HydrophobicContact CD1-CD1 4.04Å
58	F	98.5	Very high	96.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	127.1	-167.2	-51.9	-80.6	0	0	0	110.9	T44 I45 F53 M77 T79 N81 M119 A141	T44-F58 CarbonylContact C-O 3.55Å; T44-F58 WeakPolarHBondContact CA-O 3.09Å; I45-F58 HydrophobicContact CG1-CB 4.16Å; I45-F58 PolarHBondContact N-O 3.46Å; I45-F58 PolarHBondContact O-N 2.85Å; F53-F58 HydrophobicContact CB-CE2 4.01Å; F53-F58 HydrophobicContact CB-CZ 4.26Å; F53-F58 HydrophobicContact CD1-CE2 4.33Å; F53-F58 HydrophobicContact CD1-CZ 4.08Å; F58-M77 HydrophobicContact CB-CE 3.53Å; F58-M77 HydrophobicContact CG-CE 4.49Å; F58-T79 HydrophobicContact CD1-CG2 4.04Å; F58-N81 HydrophobicContact CD1-CB 3.59Å; F58-N81 HydrophobicContact CE1-CB 3.63Å; F58-N81 HydrophobicContact CG-CB 4.34Å; F58-N81 HydrophobicContact CZ-CB 4.41Å; F58-M119 HydrophobicContact CD2-CE 3.59Å; F58-M119 HydrophobicContact CD2-SD 4.15Å; F58-M119 HydrophobicContact CE2-CE 3.75Å; F58-M119 HydrophobicContact CE2-SD 4.29Å; F58-A141 HydrophobicContact CZ-CB 4.2Å
59	H	98.4	Very high	96.2	Very high	3 Å²	3	34.7 Å²	34.7	1%	0.014	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	147.3	177.3	-158.5	57.2	0	0	0	111.3	H42 F43 T44 L78 T79 W147 C152 M156	H42-H59 AromaticContact CE1-NE2 3.78Å; H42-H59 AromaticContact CG-NE2 3.58Å; H42-H59 AromaticContact ND1-CD2 3.87Å; H42-H59 AromaticContact ND1-CE1 3.73Å; H42-H59 AromaticContact ND1-NE2 2.88Å; H42-H59 PolarHBondContact ND1-NE2 3.49Å; F43-H59 CarbonylContact O-C 3.52Å; F43-H59 WeakPolarHBondContact O-CA 3.43Å; F43-H59 PolarHBondContact O-CE1 3.27Å; F43-H59 PolarHBondContact O-ND1 3.45Å; T44-H59 PolarHBondContact OG1-ND1 3.02Å; H59-L78 PolarHBondContact O-N 3.28Å; H59-T79 WeakPolarHBondContact CB-OG1 3.41Å; H59-T79 PolarHBondContact N-OG1 3.42Å; H59-T79 PolarHBondContact O-N 2.91Å; H59-T79 VanDerWaalsContact O-N 3.16Å; H59-W147 HydrophobicContact CB-CE3 4.01Å; H59-W147 HydrophobicContact CB-CH2 3.98Å; H59-W147 HydrophobicContact CB-CZ3 3.36Å; H59-W147 AromaticContact CD2-CH2 3.79Å; H59-W147 AromaticContact CD2-CZ3 3.63Å; H59-W147 AromaticContact CG-CZ3 3.71Å; H59-C152 PolarHBondContact NE2-SG 2.9Å; H59-C152 VanDerWaalsContact NE2-SG 3.41Å; H59-M156 HydrophobicContact CB-CE 3.8Å; H59-M156 HydrophobicContact CB-SD 3.74Å
60	G	97.9	Very high	96.2	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	177.9	176.1	0	0	0	0	0	112.3	H42 F43 I76	H42-G60 WeakPolarHBondContact CA-O 3.36Å; F43-G60 VanDerWaalsContact CD1-C 3.47Å; F43-G60 PolarHBondContact N-O 2.95Å; F43-G60 PolarHBondContact O-N 3.44Å; G60-I76 CarbonylContact C-O 3.52Å; G60-I76 WeakPolarHBondContact CA-O 3.46Å
61	R	97.2	Very high	96.3	Very high	86 Å²	86	39.6 Å²	39.6	33%	0.325	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	141.8	179.7	175.4	177.4	73	167.1	-5.6	110.6	E40 W41 I75 I76 L78	E40-R61 HydrophobicContact CG-CG 4.31Å; E40-R61 WeakPolarHBondContact OE1-CD 3.44Å; E40-R61 IonicContact OE1-CZ 3.42Å; E40-R61 IonicContact OE1-NE 3.6Å; E40-R61 IonicContact OE1-NH1 3.65Å; E40-R61 PolarHBondContact OE1-NH1 3.23Å; W41-R61 CarbonylContact O-C 3.54Å; W41-R61 WeakPolarHBondContact O-CA 3.34Å; W41-R61 WeakPolarHBondContact O-CG 3.35Å; R61-I75 WeakPolarHBondContact O-CA 3.25Å; R61-I76 HydrophobicContact CB-CD1 4.01Å; R61-I76 HydrophobicContact CB-CG1 3.68Å; R61-I76 HydrophobicContact CG-CG1 4.5Å; R61-I76 PolarHBondContact N-O 2.88Å; R61-I76 VanDerWaalsContact NE-CD1 3.33Å; R61-I76 PolarHBondContact O-N 3.09Å; R61-L78 HydrophobicContact CB-CD1 4.27Å
62	I	97.1	Very high	96.1	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	131.5	173.8	-72.1	158.5	0	0	0	107.8	E40 W41 F43 L64 P73 S74 I75 I108 L112	E40-I62 WeakPolarHBondContact CA-O 3.46Å; W41-I62 HydrophobicContact CB-CB 4.08Å; W41-I62 HydrophobicContact CB-CG2 4.49Å; W41-I62 PolarHBondContact N-O 3.45Å; W41-I62 PolarHBondContact O-N 3.38Å; F43-I62 HydrophobicContact CD1-CD1 3.62Å; F43-I62 HydrophobicContact CD1-CG1 3.67Å; F43-I62 HydrophobicContact CE1-CD1 4.18Å; F43-I62 HydrophobicContact CE1-CG1 3.84Å; F43-I62 HydrophobicContact CG-CD1 4.33Å; I62-L64 HydrophobicContact CG2-CD1 4.19Å; I62-L64 HydrophobicContact CG2-CD2 4.2Å; I62-L64 HydrophobicContact CG2-CG 3.85Å; I62-P73 HydrophobicContact CG2-CB 3.9Å; I62-S74 CarbonylContact C-O 3.59Å; I62-S74 WeakPolarHBondContact CA-O 3.37Å; I62-I75 HydrophobicContact CG1-CG1 4.12Å; I62-I108 HydrophobicContact CD1-CG2 3.9Å; I62-L112 HydrophobicContact CD1-CD2 4.22Å
63	T	96.6	Very high	96	Very high	61 Å²	61	37.4 Å²	37.4	37%	0.374	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	122.8	169.7	-53.2	0	0	0	0	108.5	P73 S74	T63-P73 WeakPolarHBondContact O-CA 3.19Å; T63-S74 PolarHBondContact N-O 2.72Å; T63-S74 PolarHBondContact O-N 3.22Å
64	L	96.1	Very high	95.9	Very high	6 Å²	6	38.9 Å²	38.9	3%	0.031	22%	0.215	C	C	.	.			trans	-101.4	132.2	-174.8	-63.4	138.2	0	0	0	109.3	L15 F39 W41 I62 Y68 P73 I108	L15-L64 HydrophobicContact CD1-CD1 4.38Å; L15-L64 HydrophobicContact CD2-CD1 3.61Å; L15-L64 HydrophobicContact CD2-CD2 4.06Å; L15-L64 HydrophobicContact CD2-CG 4.33Å; F39-L64 HydrophobicContact CB-CB 4.38Å; F39-L64 HydrophobicContact CD1-CB 4.16Å; F39-L64 PolarHBondContact O-N 2.98Å; W41-L64 HydrophobicContact CG-CD1 4.23Å; I62-L64 HydrophobicContact CG2-CD1 4.19Å; I62-L64 HydrophobicContact CG2-CD2 4.2Å; I62-L64 HydrophobicContact CG2-CG 3.85Å; L64-Y68 HydrophobicContact CB-CG 4.47Å; L64-Y68 HydrophobicContact CD2-CD1 3.97Å; L64-Y68 HydrophobicContact CD2-CD2 3.39Å; L64-Y68 HydrophobicContact CD2-CE1 4.04Å; L64-Y68 HydrophobicContact CD2-CE2 3.5Å; L64-Y68 HydrophobicContact CD2-CG 3.65Å; L64-P73 HydrophobicContact CD2-CB 4.17Å; L64-I108 HydrophobicContact CD1-CD1 4.31Å; L64-I108 HydrophobicContact CD2-CD1 4.5Å
65	P	94.7	Very high	95.7	Very high	30 Å²	30	34.5 Å²	34.5	20%	0.195	19%	0.192	C	C	.	.			trans	-69.2	158.1	174.6	29.3	-33.8	0	0	0	111.1	D67 Y68 K71 P72	P65-D67 PolarHBondContact O-N 3.17Å; P65-D67 VanDerWaalsContact O-N 3.14Å; P65-Y68 VanDerWaalsContact O-CB 3.29Å; P65-Y68 WeakPolarHBondContact O-CB 3.36Å; P65-Y68 PolarHBondContact O-N 3.26Å; P65-K71 HydrophobicContact CB-CB 4.3Å; P65-K71 HydrophobicContact CG-CB 3.6Å; P65-P72 WeakPolarHBondContact CD-O 3.31Å
66	P	93.1	Very high	95.7	Very high	96 Å²	96	33.4 Å²	33.4	62%	0.623	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-29.8	174.1	-27	35.6	0	0	0	114	A11 Y68	A11-P66 VanDerWaalsContact CB-O 3.3Å; A11-P66 WeakPolarHBondContact CB-O 3.42Å; P66-Y68 VanDerWaalsContact C-N 3.29Å; P66-Y68 PolarHBondContact O-N 3.18Å
67	D	93.3	Very high	95.6	Very high	83 Å²	83	33.4 Å²	33.4	44%	0.444	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	8.5	180	-56.6	-24.5	0	0	0	113.4	P65 M70 K71	P65-D67 PolarHBondContact O-N 3.17Å; P65-D67 VanDerWaalsContact O-N 3.14Å; D67-M70 WeakPolarHBondContact O-CA 3.39Å; D67-M70 VanDerWaalsContact O-CB 3.29Å; D67-M70 WeakPolarHBondContact O-CB 3.48Å; D67-M70 PolarHBondContact O-N 2.75Å; D67-K71 HydrophobicContact CB-CD 4.13Å; D67-K71 HydrophobicContact CB-CG 4.31Å; D67-K71 WeakPolarHBondContact OD2-CE 3.47Å; D67-K71 IonicContact OD2-NZ 2.75Å; D67-K71 PolarHBondContact OD2-NZ 3.01Å
68	Y	95.2	Very high	95.6	Very high	3 Å²	3	34.5 Å²	34.5	1%	0.012	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	135	176.6	-175.2	-96.9	0	0	0	110.7	A11 R14 L15 E18 L64 P65 P66 W102 W106	A11-Y68 WeakPolarHBondContact CA-O 3.33Å; A11-Y68 WeakPolarHBondContact CB-O 3.49Å; R14-Y68 HydrophobicContact CG-CD1 4.13Å; R14-Y68 HydrophobicContact CG-CE1 3.78Å; R14-Y68 PolarHBondContact NH2-OH 3.3Å; L15-Y68 HydrophobicContact CD2-CD1 3.57Å; L15-Y68 HydrophobicContact CD2-CE1 3.64Å; L15-Y68 HydrophobicContact CD2-CG 4.49Å; L15-Y68 HydrophobicContact CG-CD1 3.96Å; L15-Y68 HydrophobicContact CG-CE1 4.38Å; E18-Y68 WeakPolarHBondContact OE1-CE1 3.37Å; E18-Y68 PolarHBondContact OE1-OH 3.27Å; L64-Y68 HydrophobicContact CB-CG 4.47Å; L64-Y68 HydrophobicContact CD2-CD1 3.97Å; L64-Y68 HydrophobicContact CD2-CD2 3.39Å; L64-Y68 HydrophobicContact CD2-CE1 4.04Å; L64-Y68 HydrophobicContact CD2-CE2 3.5Å; L64-Y68 HydrophobicContact CD2-CG 3.65Å; P65-Y68 VanDerWaalsContact O-CB 3.29Å; P65-Y68 WeakPolarHBondContact O-CB 3.36Å; P65-Y68 PolarHBondContact O-N 3.26Å; P66-Y68 VanDerWaalsContact C-N 3.29Å; P66-Y68 PolarHBondContact O-N 3.18Å; Y68-W102 HydrophobicContact CD2-CZ2 4.49Å; Y68-W102 HydrophobicContact CE2-CH2 4.01Å; Y68-W102 AromaticContact CE2-CZ2 3.75Å; Y68-W102 HydrophobicContact CE2-CZ2 3.75Å; Y68-W106 PolarHBondContact OH-O 2.93Å
69	P	94.9	Very high	95.6	Very high	17 Å²	17	34.6 Å²	34.6	11%	0.11	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	cis	-95.1	13.3	9.5	39.7	-37.9	0	0	0	114.5	R14 K71 W102 P104	R14-P69 HydrophobicContact CG-CB 4.43Å; R14-P69 HydrophobicContact CG-CG 4.18Å; P69-K71 VanDerWaalsContact C-N 3.28Å; P69-K71 PolarHBondContact O-N 2.76Å; P69-W102 PolarHBondContact O-NE1 3.42Å; P69-P104 HydrophobicContact CB-CB 4.44Å; P69-P104 HydrophobicContact CG-CB 4.39Å; P69-P104 VanDerWaalsContact O-CA 3.3Å; P69-P104 WeakPolarHBondContact O-CA 3.05Å; P69-P104 WeakPolarHBondContact O-CB 3.5Å
70	M	93.7	Very high	95.6	Very high	139 Å²	139	37.2 Å²	37.2	69%	0.685	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-27.1	179.8	-59.3	-58.1	165.6	0	0	112.4	D67 P104	D67-M70 WeakPolarHBondContact O-CA 3.39Å; D67-M70 VanDerWaalsContact O-CB 3.29Å; D67-M70 WeakPolarHBondContact O-CB 3.48Å; D67-M70 PolarHBondContact O-N 2.75Å; M70-P104 HydrophobicContact SD-CB 4.13Å; M70-P104 HydrophobicContact SD-CG 4.03Å
71	K	92.8	Very high	95.6	Very high	108 Å²	108	37.2 Å²	37.2	47%	0.47	20%	0.201	S	C	.	.	S	Bend	trans	-113.4	144.4	171.4	-70.7	177.8	-177.3	156.3	0	111	P65 D67 P69	P65-K71 HydrophobicContact CB-CB 4.3Å; P65-K71 HydrophobicContact CG-CB 3.6Å; D67-K71 HydrophobicContact CB-CD 4.13Å; D67-K71 HydrophobicContact CB-CG 4.31Å; D67-K71 WeakPolarHBondContact OD2-CE 3.47Å; D67-K71 IonicContact OD2-NZ 2.75Å; D67-K71 PolarHBondContact OD2-NZ 3.01Å; P69-K71 VanDerWaalsContact C-N 3.28Å; P69-K71 PolarHBondContact O-N 2.76Å
72	P	93	Very high	95.5	Very high	14 Å²	14	33.2 Å²	33.2	9%	0.091	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-67.1	157.5	179.7	25.8	-35.5	0	0	0	113.2	P65 W102	P65-P72 WeakPolarHBondContact CD-O 3.31Å; P72-W102 HydrophobicContact CB-CB 3.93Å; P72-W102 HydrophobicContact CB-CD2 3.57Å; P72-W102 HydrophobicContact CB-CE3 3.68Å; P72-W102 HydrophobicContact CB-CG 3.65Å; P72-W102 HydrophobicContact CB-CZ3 4.46Å; P72-W102 HydrophobicContact CG-CB 4.11Å; P72-W102 HydrophobicContact CG-CG 4.13Å
73	P	95.3	Very high	95.4	Very high	4 Å²	4	33.3 Å²	33.3	3%	0.026	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-71.5	157.6	170.8	30.4	-33.7	0	0	0	112.6	I62 T63 L64 I75 G96 W102	I62-P73 HydrophobicContact CG2-CB 3.9Å; T63-P73 WeakPolarHBondContact O-CA 3.19Å; L64-P73 HydrophobicContact CD2-CB 4.17Å; P73-I75 HydrophobicContact CG-CD1 4.37Å; P73-I75 HydrophobicContact CG-CG1 4.48Å; P73-G96 PolarHBondContact O-N 2.6Å; P73-W102 HydrophobicContact CG-CH2 4.5Å; P73-W102 HydrophobicContact CG-CZ3 4.34Å
74	S	94.3	Very high	95.3	Very high	34 Å²	34	30.6 Å²	30.6	24%	0.238	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	134.9	158.5	-68.6	0	0	0	0	109.4	I62 T63	I62-S74 CarbonylContact C-O 3.59Å; I62-S74 WeakPolarHBondContact CA-O 3.37Å; T63-S74 PolarHBondContact N-O 2.72Å; T63-S74 PolarHBondContact O-N 3.22Å
75	I	95.2	Very high	95.3	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	138.2	-178	-61.4	156.4	0	0	0	108.7	F43 R61 I62 P73 K89 I90 I94 I115	F43-I75 HydrophobicContact CE1-CG2 3.98Å; F43-I75 HydrophobicContact CZ-CG2 4Å; R61-I75 WeakPolarHBondContact O-CA 3.25Å; I62-I75 HydrophobicContact CG1-CG1 4.12Å; P73-I75 HydrophobicContact CG-CD1 4.37Å; P73-I75 HydrophobicContact CG-CG1 4.48Å; I75-K89 WeakPolarHBondContact O-CA 3.42Å; I75-I90 HydrophobicContact CB-CD1 4.01Å; I75-I90 HydrophobicContact CB-CG1 3.87Å; I75-I90 HydrophobicContact CG2-CD1 3.52Å; I75-I90 HydrophobicContact CG2-CG1 3.92Å; I75-I90 PolarHBondContact O-N 3.07Å; I75-I94 HydrophobicContact CD1-CG2 4.47Å; I75-I115 HydrophobicContact CD1-CD1 4.15Å; I75-I115 HydrophobicContact CG2-CD1 3.87Å
76	I	95.3	Very high	95.4	Very high	12 Å²	12	35.8 Å²	35.8	6%	0.062	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	148.1	171.5	66.3	173.7	0	0	0	110.3	G60 R61 L78 T88 K89	G60-I76 CarbonylContact C-O 3.52Å; G60-I76 WeakPolarHBondContact CA-O 3.46Å; R61-I76 HydrophobicContact CB-CD1 4.01Å; R61-I76 HydrophobicContact CB-CG1 3.68Å; R61-I76 HydrophobicContact CG-CG1 4.5Å; R61-I76 PolarHBondContact N-O 2.88Å; R61-I76 VanDerWaalsContact NE-CD1 3.33Å; R61-I76 PolarHBondContact O-N 3.09Å; I76-L78 HydrophobicContact CD1-CD2 3.79Å; I76-L78 HydrophobicContact CG1-CD2 4.25Å; I76-T88 WeakPolarHBondContact CG2-O 3.24Å; I76-K89 HydrophobicContact CG2-CG 4.25Å
77	M	97.5	Very high	95.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	138.7	168	-63.5	-57	-68.2	0	0	109.7	F43 I45 F58 F84 T86 N87	F43-M77 HydrophobicContact CE2-SD 4.12Å; F43-M77 HydrophobicContact CZ-SD 3.87Å; I45-M77 HydrophobicContact CD1-CE 4.32Å; F58-M77 HydrophobicContact CB-CE 3.53Å; F58-M77 HydrophobicContact CG-CE 4.49Å; M77-F84 HydrophobicContact CB-CB 4.3Å; M77-F84 HydrophobicContact CG-CB 3.83Å; M77-F84 HydrophobicContact CG-CD2 3.9Å; M77-F84 HydrophobicContact CG-CG 4.18Å; M77-T86 CarbonylContact O-C 3.57Å; M77-T86 VanDerWaalsContact O-CA 3.24Å; M77-T86 WeakPolarHBondContact O-CA 3.41Å; M77-N87 PolarHBondContact O-N 3.33Å
78	L	97.8	Very high	95.5	Very high	27 Å²	27	34.4 Å²	34.4	14%	0.141	18%	0.183	C	C	.	.			trans	-107	-33.7	178.5	-62.2	177.8	0	0	0	111.4	H59 R61 I76 N87 W147	H59-L78 PolarHBondContact O-N 3.28Å; R61-L78 HydrophobicContact CB-CD1 4.27Å; I76-L78 HydrophobicContact CD1-CD2 3.79Å; I76-L78 HydrophobicContact CG1-CD2 4.25Å; L78-N87 VanDerWaalsContact CD2-OD1 3.26Å; L78-N87 WeakPolarHBondContact CD2-OD1 3.31Å; L78-W147 HydrophobicContact CB-CH2 3.87Å; L78-W147 HydrophobicContact CB-CZ2 4.06Å
79	T	98.2	Very high	95.4	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.006	21%	0.207	C	C	.	.	S	Bend	trans	-83.8	128.9	175.2	-51.2	0	0	0	0	110.5	F58 H59 N81 W147	F58-T79 HydrophobicContact CD1-CG2 4.04Å; H59-T79 WeakPolarHBondContact CB-OG1 3.41Å; H59-T79 PolarHBondContact N-OG1 3.42Å; H59-T79 PolarHBondContact O-N 2.91Å; H59-T79 VanDerWaalsContact O-N 3.16Å; T79-N81 PolarHBondContact O-N 2.75Å; T79-N81 PolarHBondContact O-ND2 2.92Å; T79-W147 HydrophobicContact CG2-CB 4.17Å; T79-W147 HydrophobicContact CG2-CD2 4.31Å; T79-W147 HydrophobicContact CG2-CG 4.03Å
80	P	98.1	Very high	95	Very high	58 Å²	58	39 Å²	39	38%	0.377	20%	0.201	S	C	.	.			trans	-54.6	128.2	171	-27.2	36	0	0	0	111.5	T86 L140	P80-T86 HydrophobicContact CB-CG2 4.43Å; P80-T86 HydrophobicContact CG-CG2 4.14Å; P80-L140 HydrophobicContact CB-CD2 4.03Å
81	N	97.6	Very high	94.2	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.005	17%	0.174	C	C	.	.			trans	-137.8	-20.7	-171.6	61.3	81.2	0	0	0	113.7	F53 F58 T79 R83 F84	F53-N81 WeakPolarHBondContact CE1-O 3.45Å; F58-N81 HydrophobicContact CD1-CB 3.59Å; F58-N81 HydrophobicContact CE1-CB 3.63Å; F58-N81 HydrophobicContact CG-CB 4.34Å; F58-N81 HydrophobicContact CZ-CB 4.41Å; T79-N81 PolarHBondContact O-N 2.75Å; T79-N81 PolarHBondContact O-ND2 2.92Å; N81-R83 VanDerWaalsContact C-N 3.31Å; N81-R83 PolarHBondContact O-N 3.26Å; N81-R83 WeakPolarHBondContact OD1-CA 3.33Å; N81-R83 WeakPolarHBondContact OD1-CB 3.41Å; N81-R83 PolarHBondContact OD1-N 3.47Å; N81-F84 PolarHBondContact ND2-O 3.45Å; N81-F84 VanDerWaalsContact ND2-O 3.13Å; N81-F84 PolarHBondContact OD1-N 2.93Å
82	G	96.2	Very high	93.6	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.01	15%	0.154	C	C	.	.	S	Bend	trans	79.5	6.2	177.6	0	0	0	0	0	115.8	M132 R137	G82-M132 WeakPolarHBondContact CA-SD 3.35Å; G82-M132 PolarHBondContact O-N 3.34Å; G82-R137 PolarHBondContact O-NE 3.31Å; G82-R137 VanDerWaalsContact O-NE 3.14Å
83	R	94.5	Very high	92.5	Very high	4 Å²	4	27.8 Å²	27.8	2%	0.015	15%	0.15	C	C	.	.	S	Bend	trans	-111.9	-33.5	170.2	176.7	59.6	-175.3	82.5	-0.8	112.9	F53 N81 S121 S122 S129 L130	F53-R83 HydrophobicContact CE1-CB 3.87Å; F53-R83 HydrophobicContact CZ-CB 3.71Å; F53-R83 HydrophobicContact CZ-CG 4.42Å; N81-R83 VanDerWaalsContact C-N 3.31Å; N81-R83 PolarHBondContact O-N 3.26Å; N81-R83 WeakPolarHBondContact OD1-CA 3.33Å; N81-R83 WeakPolarHBondContact OD1-CB 3.41Å; N81-R83 PolarHBondContact OD1-N 3.47Å; R83-S121 PolarHBondContact NE-O 3.04Å; R83-S122 PolarHBondContact NH2-O 3.35Å; R83-S129 CarbonylContact O-C 3.56Å; R83-S129 WeakPolarHBondContact O-CA 3.27Å; R83-L130 PolarHBondContact O-N 3.3Å
84	F	94.8	Very high	91.5	Very high	4 Å²	4	27.6 Å²	27.6	2%	0.018	15%	0.149	C	C	.	.	B	Isolated β-bridge	trans	-130	134.5	179.6	-58.6	-66.5	0	0	0	110.2	M77 N81 I90 L92 M119 G128	M77-F84 HydrophobicContact CB-CB 4.3Å; M77-F84 HydrophobicContact CG-CB 3.83Å; M77-F84 HydrophobicContact CG-CD2 3.9Å; M77-F84 HydrophobicContact CG-CG 4.18Å; N81-F84 PolarHBondContact ND2-O 3.45Å; N81-F84 VanDerWaalsContact ND2-O 3.13Å; N81-F84 PolarHBondContact OD1-N 2.93Å; F84-I90 HydrophobicContact CB-CG2 3.81Å; F84-I90 HydrophobicContact CD1-CB 3.97Å; F84-I90 HydrophobicContact CD1-CG2 3.53Å; F84-I90 HydrophobicContact CE1-CB 4.23Å; F84-I90 HydrophobicContact CE1-CD1 4.44Å; F84-I90 HydrophobicContact CE1-CG2 4.25Å; F84-I90 HydrophobicContact CG-CG2 3.74Å; F84-I90 HydrophobicContact CZ-CD1 4.46Å; F84-L92 HydrophobicContact CE1-CD2 4.25Å; F84-L92 HydrophobicContact CZ-CD2 4.19Å; F84-M119 HydrophobicContact CE2-CG 4.37Å; F84-G128 CarbonylContact C-O 3.59Å; F84-G128 WeakPolarHBondContact CA-O 3.24Å
85	E	95	Very high	90.4	Very high	96 Å²	96	26 Å²	26	45%	0.449	14%	0.138	S	C	.	.			trans	-63.7	133.8	171.7	-171.7	-178.5	-154.7	0	0	109.9	T88 G128 L130	E85-T88 WeakPolarHBondContact CG-OG1 3.15Å; E85-T88 WeakPolarHBondContact OE2-CB 3.1Å; E85-T88 PolarHBondContact OE2-OG1 2.94Å; E85-G128 PolarHBondContact N-O 2.97Å; E85-L130 HydrophobicContact CB-CD1 4.4Å; E85-L130 HydrophobicContact CB-CD2 4.34Å; E85-L130 HydrophobicContact CB-CG 4.25Å
86	T	96.7	Very high	88.9	Confident	48 Å²	48	27.8 Å²	27.8	29%	0.294	16%	0.156	S	C	.	.	B	Isolated β-bridge	trans	-72.4	142.4	-178.9	51.7	0	0	0	0	111.1	M77 P80 T88	M77-T86 CarbonylContact O-C 3.57Å; M77-T86 VanDerWaalsContact O-CA 3.24Å; M77-T86 WeakPolarHBondContact O-CA 3.41Å; P80-T86 HydrophobicContact CB-CG2 4.43Å; P80-T86 HydrophobicContact CG-CG2 4.14Å; T86-T88 PolarHBondContact O-N 3.41Å
87	N	95.9	Very high	87.2	Confident	113 Å²	113	30.9 Å²	30.9	60%	0.604	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.9	7.4	-178.1	-51.8	-63.2	0	0	0	115.3	M77 L78	M77-N87 PolarHBondContact O-N 3.33Å; L78-N87 VanDerWaalsContact CD2-OD1 3.26Å; L78-N87 WeakPolarHBondContact CD2-OD1 3.31Å
88	T	94.4	Very high	85.9	Confident	37 Å²	37	32.9 Å²	32.9	23%	0.227	18%	0.179	C	C	.	.	S	Bend	trans	-100.4	139.4	173	-58.5	0	0	0	0	109.8	I76 E85 T86 I90	I76-T88 WeakPolarHBondContact CG2-O 3.24Å; E85-T88 WeakPolarHBondContact CG-OG1 3.15Å; E85-T88 WeakPolarHBondContact OE2-CB 3.1Å; E85-T88 PolarHBondContact OE2-OG1 2.94Å; T86-T88 PolarHBondContact O-N 3.41Å; T88-I90 PolarHBondContact O-N 2.88Å
89	K	91.9	Very high	84.4	Confident	116 Å²	116	35.3 Å²	35.3	50%	0.504	20%	0.197	S	C	.	.	B	Isolated β-bridge	trans	-61.9	125.8	172.9	-70.9	-178.1	177.9	176.7	0	109.1	I75 I76	I75-K89 WeakPolarHBondContact O-CA 3.42Å; I76-K89 HydrophobicContact CG2-CG 4.25Å
90	I	87.5	Confident	83.4	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-86.2	136.7	177.9	67.5	178.5	0	0	0	110.3	I75 F84 T88 L92 S95 H97	I75-I90 HydrophobicContact CB-CD1 4.01Å; I75-I90 HydrophobicContact CB-CG1 3.87Å; I75-I90 HydrophobicContact CG2-CD1 3.52Å; I75-I90 HydrophobicContact CG2-CG1 3.92Å; I75-I90 PolarHBondContact O-N 3.07Å; F84-I90 HydrophobicContact CB-CG2 3.81Å; F84-I90 HydrophobicContact CD1-CB 3.97Å; F84-I90 HydrophobicContact CD1-CG2 3.53Å; F84-I90 HydrophobicContact CE1-CB 4.23Å; F84-I90 HydrophobicContact CE1-CD1 4.44Å; F84-I90 HydrophobicContact CE1-CG2 4.25Å; F84-I90 HydrophobicContact CG-CG2 3.74Å; F84-I90 HydrophobicContact CZ-CD1 4.46Å; T88-I90 PolarHBondContact O-N 2.88Å; I90-L92 HydrophobicContact CD1-CD1 3.68Å; I90-L92 HydrophobicContact CD1-CG 4.16Å; I90-L92 HydrophobicContact CG1-CD1 4.32Å; I90-L92 HydrophobicContact CG1-CG 4.31Å; I90-S95 WeakPolarHBondContact O-CB 3.32Å; I90-S95 PolarHBondContact O-OG 3.18Å; I90-H97 PolarHBondContact O-CE1 2.91Å; I90-H97 PolarHBondContact O-ND1 2.86Å
91	C	77.3	Confident	82.5	Confident	18 Å²	18	39.6 Å²	39.6	12%	0.122	21%	0.213	C	C	.	.			trans	-93	101.2	173.1	-60.6	0	0	0	0	110	H97 V127	C91-H97 HydrophobicContact CB-CB 4.02Å; C91-H97 PolarHBondContact SG-CD2 3.49Å; C91-H97 PolarHBondContact SG-CE1 3.13Å; C91-H97 PolarHBondContact SG-ND1 3.47Å; C91-H97 PolarHBondContact SG-NE2 3.19Å; C91-V127 HydrophobicContact CB-CB 4.27Å; C91-V127 PolarHBondContact N-O 3.46Å; C91-V127 WeakPolarHBondContact SG-CB 3.22Å
92	L	78.4	Confident	82.1	Confident	7 Å²	7	40.2 Å²	40.2	4%	0.037	22%	0.215	C	C	.	.			trans	-121.4	156.9	167	-60.1	176.7	0	0	0	106.4	F84 I90 I94 S95 I115 F118	F84-L92 HydrophobicContact CE1-CD2 4.25Å; F84-L92 HydrophobicContact CZ-CD2 4.19Å; I90-L92 HydrophobicContact CD1-CD1 3.68Å; I90-L92 HydrophobicContact CD1-CG 4.16Å; I90-L92 HydrophobicContact CG1-CD1 4.32Å; I90-L92 HydrophobicContact CG1-CG 4.31Å; L92-I94 HydrophobicContact CB-CG2 3.91Å; L92-I94 HydrophobicContact CD1-CG2 4.28Å; L92-I94 PolarHBondContact O-N 2.77Å; L92-S95 PolarHBondContact N-OG 3.4Å; L92-S95 PolarHBondContact O-N 2.9Å; L92-S95 PolarHBondContact O-OG 3.29Å; L92-S95 VanDerWaalsContact O-OG 3.08Å; L92-I115 HydrophobicContact CD1-CG1 3.95Å; L92-F118 HydrophobicContact CB-CE2 4.24Å; L92-F118 HydrophobicContact CB-CZ 4.47Å; L92-F118 HydrophobicContact CD1-CD2 3.82Å; L92-F118 HydrophobicContact CD1-CE2 4.26Å; L92-F118 HydrophobicContact CD1-CG 4.35Å; L92-F118 HydrophobicContact CD2-CB 4.27Å; L92-F118 HydrophobicContact CD2-CD1 3.83Å; L92-F118 HydrophobicContact CD2-CD2 3.89Å; L92-F118 HydrophobicContact CD2-CE1 3.96Å; L92-F118 HydrophobicContact CD2-CE2 4.15Å; L92-F118 HydrophobicContact CD2-CG 3.78Å; L92-F118 HydrophobicContact CD2-CZ 4.19Å; L92-F118 HydrophobicContact CG-CD2 4.32Å; L92-F118 HydrophobicContact CG-CE2 4.46Å
93	S	71.4	Confident	81.8	Confident	2 Å²	2	44.8 Å²	44.8	1%	0.014	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-11.7	172.7	31.6	0	0	0	0	113.4	V181	S93-V181 VanDerWaalsContact OG-C 3.32Å; S93-V181 WeakPolarHBondContact OG-CG1 3.22Å; S93-V181 PolarHBondContact OG-O 3.33Å
94	I	73.1	Confident	81.7	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-1.1	170.7	-159.5	146	0	0	0	113.9	I75 L92 W102 W106 T110 A111 A114 V181	I75-I94 HydrophobicContact CD1-CG2 4.47Å; L92-I94 HydrophobicContact CB-CG2 3.91Å; L92-I94 HydrophobicContact CD1-CG2 4.28Å; L92-I94 PolarHBondContact O-N 2.77Å; I94-W102 HydrophobicContact CG1-CE3 4.11Å; I94-W102 HydrophobicContact CG1-CZ3 3.74Å; I94-W106 HydrophobicContact CB-CE3 4.36Å; I94-W106 HydrophobicContact CB-CZ3 4.19Å; I94-W106 HydrophobicContact CD1-CD2 4.05Å; I94-W106 HydrophobicContact CD1-CE3 3.67Å; I94-W106 HydrophobicContact CD1-CG 4.48Å; I94-W106 HydrophobicContact CD1-CZ3 4.14Å; I94-W106 HydrophobicContact CG1-CE3 3.69Å; I94-W106 HydrophobicContact CG1-CZ3 4.03Å; I94-T110 HydrophobicContact CD1-CG2 4.22Å; I94-A111 HydrophobicContact CD1-CB 4.03Å; I94-A111 HydrophobicContact CG1-CB 4.07Å; I94-A114 HydrophobicContact CD1-CB 4.02Å; I94-A114 HydrophobicContact CG2-CB 4.29Å; I94-V181 HydrophobicContact CB-CG1 4.27Å
95	S	72.7	Confident	81.5	Confident	1 Å²	1	51.1 Å²	51.1	1%	0.007	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.8	165.8	176.2	82.8	0	0	0	0	111.5	I90 L92 H97 H98	I90-S95 WeakPolarHBondContact O-CB 3.32Å; I90-S95 PolarHBondContact O-OG 3.18Å; L92-S95 PolarHBondContact N-OG 3.4Å; L92-S95 PolarHBondContact O-N 2.9Å; L92-S95 PolarHBondContact O-OG 3.29Å; L92-S95 VanDerWaalsContact O-OG 3.08Å; S95-H97 PolarHBondContact O-N 3.48Å; S95-H97 PolarHBondContact OG-ND1 3.4Å; S95-H98 PolarHBondContact O-N 3.16Å
96	G	62.5	Low	81.5	Confident	37 Å²	37	48.1 Å²	48.1	38%	0.381	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	12.7	-171	0	0	0	0	0	119.1	P73	P73-G96 PolarHBondContact O-N 2.6Å
97	H	59.9	Low	81.4	Confident	77 Å²	77	46.6 Å²	46.6	36%	0.356	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-22.4	177.1	-59.8	91.9	0	0	0	113	I90 C91 S95	I90-H97 PolarHBondContact O-CE1 2.91Å; I90-H97 PolarHBondContact O-ND1 2.86Å; C91-H97 HydrophobicContact CB-CB 4.02Å; C91-H97 PolarHBondContact SG-CD2 3.49Å; C91-H97 PolarHBondContact SG-CE1 3.13Å; C91-H97 PolarHBondContact SG-ND1 3.47Å; C91-H97 PolarHBondContact SG-NE2 3.19Å; S95-H97 PolarHBondContact O-N 3.48Å; S95-H97 PolarHBondContact OG-ND1 3.4Å
98	H	69.3	Low	81.4	Confident	42 Å²	42	41.3 Å²	41.3	19%	0.194	23%	0.228	C	C	.	.			trans	-126.4	69.6	172.7	-66.1	-70.8	0	0	0	109.7	S95 E100 N101	S95-H98 PolarHBondContact O-N 3.16Å; H98-E100 WeakPolarHBondContact CA-OE2 3.37Å; H98-E100 WeakPolarHBondContact CB-OE1 3.33Å; H98-E100 IonicContact CG-OE1 2.74Å; H98-E100 IonicContact ND1-OE1 3.85Å; H98-E100 PolarHBondContact ND1-OE1 3.39Å; H98-E100 PolarHBondContact O-N 3.15Å; H98-E100 VanDerWaalsContact O-N 3.09Å; H98-N101 HydrophobicContact CB-CB 4.1Å; H98-N101 WeakPolarHBondContact CB-ND2 3.43Å; H98-N101 PolarHBondContact O-N 3.44Å
99	P	67.6	Low	81.6	Confident	79 Å²	79	42.2 Å²	42.2	51%	0.513	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-55.8	-26.2	-178.8	25	-35.1	0	0	0	113.1	N101 W102	P99-N101 VanDerWaalsContact C-N 3.26Å; P99-N101 PolarHBondContact O-N 3.19Å; P99-W102 PolarHBondContact O-N 3.34Å
100	E	76.5	Confident	81.7	Confident	115 Å²	115	37.8 Å²	37.8	54%	0.537	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-63.6	-26.9	174.2	68.2	-78.5	-177.3	0	0	114	H98	H98-E100 WeakPolarHBondContact CA-OE2 3.37Å; H98-E100 WeakPolarHBondContact CB-OE1 3.33Å; H98-E100 IonicContact CG-OE1 2.74Å; H98-E100 IonicContact ND1-OE1 3.85Å; H98-E100 PolarHBondContact ND1-OE1 3.39Å; H98-E100 PolarHBondContact O-N 3.15Å; H98-E100 VanDerWaalsContact O-N 3.09Å
101	N	80.5	Confident	82	Confident	33 Å²	33	37.9 Å²	37.9	18%	0.176	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-92.3	-12.8	-179.7	-69.5	-29	0	0	0	112.6	H98 P99 W106	H98-N101 HydrophobicContact CB-CB 4.1Å; H98-N101 WeakPolarHBondContact CB-ND2 3.43Å; H98-N101 PolarHBondContact O-N 3.44Å; P99-N101 VanDerWaalsContact C-N 3.26Å; P99-N101 PolarHBondContact O-N 3.19Å; N101-W106 VanDerWaalsContact O-CH2 3.22Å; N101-W106 WeakPolarHBondContact O-CH2 3.01Å; N101-W106 WeakPolarHBondContact O-CZ3 3.29Å
102	W	87.3	Confident	83	Confident	15 Å²	15	37 Å²	37	6%	0.057	21%	0.205	C	C	.	.			trans	-73.4	130.4	180	172.4	-102.1	0	0	0	111.1	Y68 P69 P72 P73 I94 P99 W106	Y68-W102 HydrophobicContact CD2-CZ2 4.49Å; Y68-W102 HydrophobicContact CE2-CH2 4.01Å; Y68-W102 AromaticContact CE2-CZ2 3.75Å; Y68-W102 HydrophobicContact CE2-CZ2 3.75Å; P69-W102 PolarHBondContact O-NE1 3.42Å; P72-W102 HydrophobicContact CB-CB 3.93Å; P72-W102 HydrophobicContact CB-CD2 3.57Å; P72-W102 HydrophobicContact CB-CE3 3.68Å; P72-W102 HydrophobicContact CB-CG 3.65Å; P72-W102 HydrophobicContact CB-CZ3 4.46Å; P72-W102 HydrophobicContact CG-CB 4.11Å; P72-W102 HydrophobicContact CG-CG 4.13Å; P73-W102 HydrophobicContact CG-CH2 4.5Å; P73-W102 HydrophobicContact CG-CZ3 4.34Å; I94-W102 HydrophobicContact CG1-CE3 4.11Å; I94-W102 HydrophobicContact CG1-CZ3 3.74Å; P99-W102 PolarHBondContact O-N 3.34Å; W102-W106 HydrophobicContact CD2-CE3 4.44Å; W102-W106 AromaticContact CE3-CE3 3.73Å; W102-W106 HydrophobicContact CE3-CE3 3.73Å; W102-W106 HydrophobicContact CE3-CZ3 4.42Å; W102-W106 HydrophobicContact CH2-CB 3.9Å; W102-W106 WeakPolarHBondContact CH2-O 3.35Å; W102-W106 HydrophobicContact CZ2-CB 4.46Å; W102-W106 HydrophobicContact CZ3-CB 3.99Å; W102-W106 HydrophobicContact CZ3-CE3 4.03Å
103	Q	89.9	Confident	83.8	Confident	97 Å²	97	36.7 Å²	36.7	45%	0.453	20%	0.203	S	C	.	.			trans	-106.8	123.9	172.4	-63.3	-176.9	68.5	0	0	109.7	S105 W106	Q103-S105 WeakPolarHBondContact CB-OG 3.44Å; Q103-S105 PolarHBondContact O-N 3Å; Q103-W106 HydrophobicContact CB-CD2 3.91Å; Q103-W106 HydrophobicContact CB-CE3 4.38Å; Q103-W106 HydrophobicContact CB-CG 4.06Å; Q103-W106 HydrophobicContact CG-CD2 4.44Å; Q103-W106 HydrophobicContact CG-CZ2 4.2Å; Q103-W106 WeakPolarHBondContact O-CB 3.48Å; Q103-W106 PolarHBondContact O-N 3.5Å
104	P	92.4	Very high	84.9	Confident	54 Å²	54	36.6 Å²	36.6	35%	0.351	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-15.6	175.8	-27.3	35.7	0	0	0	114.7	R14 P69 M70 W106	R14-P104 PolarHBondContact NH1-O 3.22Å; P69-P104 HydrophobicContact CB-CB 4.44Å; P69-P104 HydrophobicContact CG-CB 4.39Å; P69-P104 VanDerWaalsContact O-CA 3.3Å; P69-P104 WeakPolarHBondContact O-CA 3.05Å; P69-P104 WeakPolarHBondContact O-CB 3.5Å; M70-P104 HydrophobicContact SD-CB 4.13Å; M70-P104 HydrophobicContact SD-CG 4.03Å; P104-W106 VanDerWaalsContact C-N 3.33Å
105	S	92.3	Very high	85.9	Confident	87 Å²	87	36.6 Å²	36.6	61%	0.608	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-22.3	171.3	56.7	0	0	0	0	113.5	Q103	Q103-S105 WeakPolarHBondContact CB-OG 3.44Å; Q103-S105 PolarHBondContact O-N 3Å
106	W	93.3	Very high	87	Confident	32 Å²	32	36.9 Å²	36.9	12%	0.121	20%	0.204	C	C	.	.			trans	-71.3	133.9	177.3	-66.5	-14.7	0	0	0	111.2	R14 Y68 I94 N101 W102 Q103 P104 T110 V181	R14-W106 PolarHBondContact NH2-O 3.29Å; Y68-W106 PolarHBondContact OH-O 2.93Å; I94-W106 HydrophobicContact CB-CE3 4.36Å; I94-W106 HydrophobicContact CB-CZ3 4.19Å; I94-W106 HydrophobicContact CD1-CD2 4.05Å; I94-W106 HydrophobicContact CD1-CE3 3.67Å; I94-W106 HydrophobicContact CD1-CG 4.48Å; I94-W106 HydrophobicContact CD1-CZ3 4.14Å; I94-W106 HydrophobicContact CG1-CE3 3.69Å; I94-W106 HydrophobicContact CG1-CZ3 4.03Å; N101-W106 VanDerWaalsContact O-CH2 3.22Å; N101-W106 WeakPolarHBondContact O-CH2 3.01Å; N101-W106 WeakPolarHBondContact O-CZ3 3.29Å; W102-W106 HydrophobicContact CD2-CE3 4.44Å; W102-W106 AromaticContact CE3-CE3 3.73Å; W102-W106 HydrophobicContact CE3-CE3 3.73Å; W102-W106 HydrophobicContact CE3-CZ3 4.42Å; W102-W106 HydrophobicContact CH2-CB 3.9Å; W102-W106 WeakPolarHBondContact CH2-O 3.35Å; W102-W106 HydrophobicContact CZ2-CB 4.46Å; W102-W106 HydrophobicContact CZ3-CB 3.99Å; W102-W106 HydrophobicContact CZ3-CE3 4.03Å; Q103-W106 HydrophobicContact CB-CD2 3.91Å; Q103-W106 HydrophobicContact CB-CE3 4.38Å; Q103-W106 HydrophobicContact CB-CG 4.06Å; Q103-W106 HydrophobicContact CG-CD2 4.44Å; Q103-W106 HydrophobicContact CG-CZ2 4.2Å; Q103-W106 WeakPolarHBondContact O-CB 3.48Å; Q103-W106 PolarHBondContact O-N 3.5Å; P104-W106 VanDerWaalsContact C-N 3.33Å; W106-T110 HydrophobicContact CB-CG2 4.25Å; W106-T110 HydrophobicContact CG-CG2 4.04Å; W106-V181 HydrophobicContact CH2-CG1 4.33Å; W106-V181 HydrophobicContact CH2-CG2 4.25Å; W106-V181 HydrophobicContact CZ2-CG2 4.28Å
107	S	95	Very high	88.5	Confident	16 Å²	16	35.9 Å²	35.9	11%	0.112	19%	0.194	C	C	.	.			trans	-100.9	170.4	177.4	61	0	0	0	0	112	R109 T110 A111	S107-R109 PolarHBondContact O-N 3.18Å; S107-R109 WeakPolarHBondContact OG-CB 3.45Å; S107-R109 PolarHBondContact OG-N 3.47Å; S107-T110 PolarHBondContact N-OG1 3.46Å; S107-T110 WeakPolarHBondContact O-CB 3.35Å; S107-T110 PolarHBondContact O-N 2.96Å; S107-T110 PolarHBondContact OG-N 3.45Å; S107-T110 PolarHBondContact OG-OG1 2.91Å; S107-A111 PolarHBondContact O-N 3.49Å
108	I	97	Very high	89.9	Confident	3 Å²	3	32.5 Å²	32.5	2%	0.015	18%	0.178	C	C	.	.	H	α-helix	trans	-52.6	-42.5	167.2	-67.2	166.4	0	0	0	109.8	L15 E18 L22 A31 W41 I62 L64 T110 A111 L112	L15-I108 HydrophobicContact CD2-CD1 4.35Å; E18-I108 WeakPolarHBondContact OE2-CB 3.44Å; E18-I108 WeakPolarHBondContact OE2-CG1 3.5Å; E18-I108 PolarHBondContact OE2-N 3.23Å; L22-I108 HydrophobicContact CD1-CB 3.78Å; L22-I108 HydrophobicContact CD1-CG2 3.6Å; A31-I108 HydrophobicContact CB-CG2 4.17Å; W41-I108 HydrophobicContact CD2-CD1 3.8Å; W41-I108 HydrophobicContact CE3-CD1 3.92Å; W41-I108 HydrophobicContact CG-CD1 4.44Å; W41-I108 HydrophobicContact CH2-CD1 3.82Å; W41-I108 HydrophobicContact CZ2-CD1 3.75Å; W41-I108 HydrophobicContact CZ3-CD1 3.93Å; I62-I108 HydrophobicContact CD1-CG2 3.9Å; L64-I108 HydrophobicContact CD1-CD1 4.31Å; L64-I108 HydrophobicContact CD2-CD1 4.5Å; I108-T110 VanDerWaalsContact C-N 3.29Å; I108-T110 PolarHBondContact O-N 3.25Å; I108-A111 WeakPolarHBondContact O-CB 3.43Å; I108-A111 PolarHBondContact O-N 3.4Å; I108-A111 VanDerWaalsContact O-N 3.15Å; I108-L112 HydrophobicContact CG2-CD1 4.06Å; I108-L112 HydrophobicContact CG2-CG 4.29Å; I108-L112 VanDerWaalsContact O-CG 3.29Å; I108-L112 WeakPolarHBondContact O-CG 3.3Å; I108-L112 PolarHBondContact O-N 2.83Å
109	R	97.1	Very high	91	Very high	56 Å²	56	30.5 Å²	30.5	21%	0.211	17%	0.168	C	C	.	.	H	α-helix	trans	-52.4	-48.6	173.7	-176.5	-176.1	174.8	-75.8	-3.6	111.7	E21 L22 F29 S107 L112 L113 E173	E21-R109 VanDerWaalsContact OE1-CD 3.27Å; E21-R109 WeakPolarHBondContact OE1-CD 3.33Å; L22-R109 HydrophobicContact CD2-CB 4.06Å; F29-R109 HydrophobicContact CE2-CG 4.47Å; F29-R109 HydrophobicContact CZ-CG 3.83Å; S107-R109 PolarHBondContact O-N 3.18Å; S107-R109 WeakPolarHBondContact OG-CB 3.45Å; S107-R109 PolarHBondContact OG-N 3.47Å; R109-L112 PolarHBondContact O-N 3.27Å; R109-L113 HydrophobicContact CG-CD1 4.43Å; R109-L113 VanDerWaalsContact NH1-CD1 3.28Å; R109-L113 WeakPolarHBondContact O-CG 3.29Å; R109-L113 PolarHBondContact O-N 2.9Å; R109-L113 VanDerWaalsContact O-N 3.1Å; R109-E173 IonicContact CZ-OE1 3.84Å; R109-E173 IonicContact CZ-OE2 3.93Å; R109-E173 IonicContact NH1-OE1 3.12Å; R109-E173 PolarHBondContact NH1-OE1 2.87Å; R109-E173 IonicContact NH1-OE2 3.85Å; R109-E173 PolarHBondContact NH1-OE2 2.84Å; R109-E173 IonicContact NH2-OE1 2.87Å; R109-E173 IonicContact NH2-OE2 2.75Å; R109-E173 PolarHBondContact NH2-OE2 2.97Å
110	T	95.1	Very high	92.2	Very high	22 Å²	22	29.9 Å²	29.9	14%	0.135	16%	0.164	C	C	.	.	H	α-helix	trans	-63.8	-42.9	-179.6	-50.9	0	0	0	0	111	I94 W106 S107 I108 L112 L113 A114 L177	I94-T110 HydrophobicContact CD1-CG2 4.22Å; W106-T110 HydrophobicContact CB-CG2 4.25Å; W106-T110 HydrophobicContact CG-CG2 4.04Å; S107-T110 PolarHBondContact N-OG1 3.46Å; S107-T110 WeakPolarHBondContact O-CB 3.35Å; S107-T110 PolarHBondContact O-N 2.96Å; S107-T110 PolarHBondContact OG-N 3.45Å; S107-T110 PolarHBondContact OG-OG1 2.91Å; I108-T110 VanDerWaalsContact C-N 3.29Å; I108-T110 PolarHBondContact O-N 3.25Å; T110-L112 PolarHBondContact O-N 3.12Å; T110-L113 PolarHBondContact O-N 2.94Å; T110-A114 WeakPolarHBondContact O-CB 3.48Å; T110-A114 PolarHBondContact O-N 3.41Å; T110-L177 HydrophobicContact CG2-CD1 4.27Å; T110-L177 HydrophobicContact CG2-CD2 4.26Å
111	A	94.5	Very high	92.8	Very high	2 Å²	2	25.4 Å²	25.4	2%	0.017	15%	0.146	C	C	.	.	H	α-helix	trans	-59.7	-43.9	175.9	0	0	0	0	0	112.4	I94 S107 I108 A114 I115	I94-A111 HydrophobicContact CD1-CB 4.03Å; I94-A111 HydrophobicContact CG1-CB 4.07Å; S107-A111 PolarHBondContact O-N 3.49Å; I108-A111 WeakPolarHBondContact O-CB 3.43Å; I108-A111 PolarHBondContact O-N 3.4Å; I108-A111 VanDerWaalsContact O-N 3.15Å; A111-A114 PolarHBondContact O-N 3.21Å; A111-I115 VanDerWaalsContact O-CG1 3.25Å; A111-I115 WeakPolarHBondContact O-CG1 3.38Å; A111-I115 PolarHBondContact O-N 3.01Å
112	L	97	Very high	93	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-64.4	-43.5	178.7	-63.6	173.8	0	0	0	112.2	F29 A31 F43 I45 I62 I108 R109 T110 A114 I115 I116	F29-L112 HydrophobicContact CB-CB 4.49Å; F29-L112 HydrophobicContact CB-CD1 4.29Å; F29-L112 HydrophobicContact CD1-CB 4.32Å; F29-L112 HydrophobicContact CD2-CB 4.39Å; F29-L112 HydrophobicContact CD2-CD1 3.47Å; F29-L112 VanDerWaalsContact CD2-CD1 3.47Å; F29-L112 HydrophobicContact CE2-CD1 4.05Å; F29-L112 HydrophobicContact CG-CB 4.13Å; F29-L112 HydrophobicContact CG-CD1 3.94Å; A31-L112 HydrophobicContact CB-CD1 3.69Å; F43-L112 HydrophobicContact CB-CD2 3.62Å; F43-L112 HydrophobicContact CD1-CD2 4.08Å; F43-L112 HydrophobicContact CD2-CD2 3.5Å; F43-L112 VanDerWaalsContact CD2-CD2 3.5Å; F43-L112 HydrophobicContact CE2-CD2 4.11Å; F43-L112 HydrophobicContact CG-CD2 3.46Å; F43-L112 VanDerWaalsContact CG-CD2 3.46Å; I45-L112 HydrophobicContact CG2-CD2 4.21Å; I62-L112 HydrophobicContact CD1-CD2 4.22Å; I108-L112 HydrophobicContact CG2-CD1 4.06Å; I108-L112 HydrophobicContact CG2-CG 4.29Å; I108-L112 VanDerWaalsContact O-CG 3.29Å; I108-L112 WeakPolarHBondContact O-CG 3.3Å; I108-L112 PolarHBondContact O-N 2.83Å; R109-L112 PolarHBondContact O-N 3.27Å; T110-L112 PolarHBondContact O-N 3.12Å; L112-A114 VanDerWaalsContact C-N 3.34Å; L112-I115 HydrophobicContact CD2-CD1 4.45Å; L112-I115 PolarHBondContact O-N 3.1Å; L112-I116 WeakPolarHBondContact O-CG1 3.41Å; L112-I116 PolarHBondContact O-N 3.45Å
113	L	96.3	Very high	92.9	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-64.1	-40.1	175.8	-70.9	175.8	0	0	0	112.2	L28 F29 R109 T110 I116 G117 M170 E173 A174 L177	L28-L113 HydrophobicContact CD1-CD2 4.44Å; F29-L113 HydrophobicContact CD1-CD2 4.19Å; F29-L113 HydrophobicContact CE1-CD2 3.73Å; F29-L113 HydrophobicContact CE1-CG 4.01Å; R109-L113 HydrophobicContact CG-CD1 4.43Å; R109-L113 VanDerWaalsContact NH1-CD1 3.28Å; R109-L113 WeakPolarHBondContact O-CG 3.29Å; R109-L113 PolarHBondContact O-N 2.9Å; R109-L113 VanDerWaalsContact O-N 3.1Å; T110-L113 PolarHBondContact O-N 2.94Å; L113-I116 PolarHBondContact O-N 2.96Å; L113-G117 PolarHBondContact O-N 3.44Å; L113-M170 HydrophobicContact CD2-CG 3.7Å; L113-M170 HydrophobicContact CD2-SD 4.31Å; L113-E173 VanDerWaalsContact CD1-CD 3.47Å; L113-E173 HydrophobicContact CD1-CG 4.08Å; L113-E173 WeakPolarHBondContact CD1-OE1 3.46Å; L113-A174 HydrophobicContact CB-CB 4.37Å; L113-A174 HydrophobicContact CD2-CB 4.06Å; L113-A174 WeakPolarHBondContact O-CB 3.5Å; L113-L177 HydrophobicContact CB-CD1 3.67Å; L113-L177 HydrophobicContact CD1-CD1 4.13Å
114	A	93.5	Very high	92.5	Very high	0 Å²	0	27 Å²	27	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-59.9	-49.4	173.9	0	0	0	0	0	110.8	I94 T110 A111 L112 I116 G117 F118	I94-A114 HydrophobicContact CD1-CB 4.02Å; I94-A114 HydrophobicContact CG2-CB 4.29Å; T110-A114 WeakPolarHBondContact O-CB 3.48Å; T110-A114 PolarHBondContact O-N 3.41Å; A111-A114 PolarHBondContact O-N 3.21Å; L112-A114 VanDerWaalsContact C-N 3.34Å; A114-I116 VanDerWaalsContact C-N 3.28Å; A114-I116 PolarHBondContact O-N 2.91Å; A114-G117 CarbonylContact O-C 3.52Å; A114-G117 WeakPolarHBondContact O-CA 3.42Å; A114-G117 PolarHBondContact O-N 3.46Å; A114-F118 HydrophobicContact CB-CD2 4.2Å; A114-F118 HydrophobicContact CB-CE2 4.12Å; A114-F118 WeakPolarHBondContact O-CB 3.37Å; A114-F118 WeakPolarHBondContact O-CD2 3.42Å; A114-F118 PolarHBondContact O-N 3.34Å
115	I	93.9	Very high	91.8	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-55.9	-44.1	177.9	-63.6	160.7	0	0	0	111.1	F43 I45 I75 L92 A111 L112 G117 F118 M119	F43-I115 HydrophobicContact CE2-CD1 4.38Å; F43-I115 HydrophobicContact CZ-CD1 4.08Å; I45-I115 HydrophobicContact CD1-CB 4.42Å; I45-I115 HydrophobicContact CD1-CG2 3.53Å; I75-I115 HydrophobicContact CD1-CD1 4.15Å; I75-I115 HydrophobicContact CG2-CD1 3.87Å; L92-I115 HydrophobicContact CD1-CG1 3.95Å; A111-I115 VanDerWaalsContact O-CG1 3.25Å; A111-I115 WeakPolarHBondContact O-CG1 3.38Å; A111-I115 PolarHBondContact O-N 3.01Å; L112-I115 HydrophobicContact CD2-CD1 4.45Å; L112-I115 PolarHBondContact O-N 3.1Å; I115-G117 VanDerWaalsContact C-N 3.33Å; I115-G117 PolarHBondContact O-N 3.19Å; I115-F118 PolarHBondContact O-N 3.35Å; I115-M119 WeakPolarHBondContact O-CG 3.35Å; I115-M119 PolarHBondContact O-N 3.28Å; I115-M119 VanDerWaalsContact O-N 3.08Å
116	I	96.2	Very high	91.2	Very high	8 Å²	8	25.3 Å²	25.3	4%	0.041	18%	0.18	C	C	.	.	H	α-helix	trans	-59.2	-45.9	176	-68.1	165	0	0	0	110.5	L28 F29 I45 P48 L112 L113 A114 F118 M119 A174	L28-I116 HydrophobicContact CB-CD1 4.1Å; F29-I116 HydrophobicContact CB-CD1 4.49Å; F29-I116 HydrophobicContact CD1-CD1 4.14Å; I45-I116 HydrophobicContact CB-CD1 4.15Å; I45-I116 HydrophobicContact CB-CG1 3.87Å; I45-I116 HydrophobicContact CD1-CG1 4.21Å; I45-I116 HydrophobicContact CG2-CD1 4.04Å; I45-I116 HydrophobicContact CG2-CG1 3.95Å; P48-I116 HydrophobicContact CG-CG2 3.91Å; P48-I116 WeakPolarHBondContact CG-O 3.31Å; L112-I116 WeakPolarHBondContact O-CG1 3.41Å; L112-I116 PolarHBondContact O-N 3.45Å; L113-I116 PolarHBondContact O-N 2.96Å; A114-I116 VanDerWaalsContact C-N 3.28Å; A114-I116 PolarHBondContact O-N 2.91Å; I116-F118 VanDerWaalsContact C-N 3.32Å; I116-F118 PolarHBondContact O-N 2.96Å; I116-M119 PolarHBondContact O-N 3.5Å; I116-A174 HydrophobicContact CB-CB 4.21Å; I116-A174 HydrophobicContact CG2-CB 3.93Å
117	G	93.7	Very high	90.6	Very high	16 Å²	16	28.3 Å²	28.3	17%	0.165	20%	0.202	C	C	.	.	H	α-helix	trans	-65.9	-29.1	176.7	0	0	0	0	0	114.6	L113 A114 I115 A174	L113-G117 PolarHBondContact O-N 3.44Å; A114-G117 CarbonylContact O-C 3.52Å; A114-G117 WeakPolarHBondContact O-CA 3.42Å; A114-G117 PolarHBondContact O-N 3.46Å; I115-G117 VanDerWaalsContact C-N 3.33Å; I115-G117 PolarHBondContact O-N 3.19Å; G117-A174 VanDerWaalsContact CA-O 3.31Å; G117-A174 WeakPolarHBondContact CA-O 3.47Å
118	F	89.8	Confident	90.2	Very high	5 Å²	5	28 Å²	28	2%	0.022	20%	0.202	C	C	.	.	H	α-helix	trans	-79.1	-27.7	178.7	-85.6	-71	0	0	0	113.7	L92 A114 I115 I116 P120 S121 V181 L182	L92-F118 HydrophobicContact CB-CE2 4.24Å; L92-F118 HydrophobicContact CB-CZ 4.47Å; L92-F118 HydrophobicContact CD1-CD2 3.82Å; L92-F118 HydrophobicContact CD1-CE2 4.26Å; L92-F118 HydrophobicContact CD1-CG 4.35Å; L92-F118 HydrophobicContact CD2-CB 4.27Å; L92-F118 HydrophobicContact CD2-CD1 3.83Å; L92-F118 HydrophobicContact CD2-CD2 3.89Å; L92-F118 HydrophobicContact CD2-CE1 3.96Å; L92-F118 HydrophobicContact CD2-CE2 4.15Å; L92-F118 HydrophobicContact CD2-CG 3.78Å; L92-F118 HydrophobicContact CD2-CZ 4.19Å; L92-F118 HydrophobicContact CG-CD2 4.32Å; L92-F118 HydrophobicContact CG-CE2 4.46Å; A114-F118 HydrophobicContact CB-CD2 4.2Å; A114-F118 HydrophobicContact CB-CE2 4.12Å; A114-F118 WeakPolarHBondContact O-CB 3.37Å; A114-F118 WeakPolarHBondContact O-CD2 3.42Å; A114-F118 PolarHBondContact O-N 3.34Å; I115-F118 PolarHBondContact O-N 3.35Å; I116-F118 VanDerWaalsContact C-N 3.32Å; I116-F118 PolarHBondContact O-N 2.96Å; F118-P120 VanDerWaalsContact C-N 3.35Å; F118-S121 WeakPolarHBondContact O-CB 3.35Å; F118-S121 PolarHBondContact O-N 3.24Å; F118-S121 PolarHBondContact O-OG 2.9Å; F118-V181 HydrophobicContact CE2-CB 3.94Å; F118-V181 HydrophobicContact CE2-CG1 3.69Å; F118-V181 HydrophobicContact CZ-CB 3.84Å; F118-V181 HydrophobicContact CZ-CG1 3.67Å; F118-L182 HydrophobicContact CD1-CD1 4.2Å; F118-L182 HydrophobicContact CD1-CD2 3.64Å; F118-L182 HydrophobicContact CD1-CG 3.62Å; F118-L182 HydrophobicContact CE1-CB 4.16Å; F118-L182 HydrophobicContact CE1-CD1 4.26Å; F118-L182 HydrophobicContact CE1-CD2 3.29Å; F118-L182 HydrophobicContact CE1-CG 3.23Å; F118-L182 HydrophobicContact CZ-CD2 4.45Å; F118-L182 HydrophobicContact CZ-CG 4.12Å
119	M	92.8	Very high	89.8	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-45	-173.8	-80.6	-141.4	-76.8	0	0	113.8	I45 F53 F58 F84 I115 I116 S121	I45-M119 HydrophobicContact CD1-CE 3.93Å; I45-M119 HydrophobicContact CD1-SD 4.44Å; I45-M119 HydrophobicContact CG1-CE 4.49Å; F53-M119 HydrophobicContact CB-CE 4.16Å; F53-M119 HydrophobicContact CD1-CE 4.48Å; F53-M119 HydrophobicContact CD1-SD 3.83Å; F53-M119 HydrophobicContact CD2-CB 3.92Å; F53-M119 HydrophobicContact CE1-SD 4.21Å; F53-M119 VanDerWaalsContact CE2-C 3.45Å; F53-M119 HydrophobicContact CE2-CB 4.04Å; F53-M119 WeakPolarHBondContact CE2-O 3.32Å; F53-M119 HydrophobicContact CG-CB 4.25Å; F53-M119 HydrophobicContact CG-CE 4.29Å; F53-M119 HydrophobicContact CG-SD 4.09Å; F53-M119 HydrophobicContact CZ-CB 4.43Å; F53-M119 WeakPolarHBondContact CZ-O 3.2Å; F58-M119 HydrophobicContact CD2-CE 3.59Å; F58-M119 HydrophobicContact CD2-SD 4.15Å; F58-M119 HydrophobicContact CE2-CE 3.75Å; F58-M119 HydrophobicContact CE2-SD 4.29Å; F84-M119 HydrophobicContact CE2-CG 4.37Å; I115-M119 WeakPolarHBondContact O-CG 3.35Å; I115-M119 PolarHBondContact O-N 3.28Å; I115-M119 VanDerWaalsContact O-N 3.08Å; I116-M119 PolarHBondContact O-N 3.5Å; M119-S121 VanDerWaalsContact C-N 3.26Å; M119-S121 PolarHBondContact O-N 3.49Å
120	P	92.9	Very high	89.6	Confident	66 Å²	66	29.4 Å²	29.4	43%	0.429	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-7.1	178.9	-14.5	32	0	0	0	114.4	P48 F118	P48-P120 HydrophobicContact CB-CG 4.05Å; P48-P120 HydrophobicContact CG-CG 3.75Å; F118-P120 VanDerWaalsContact C-N 3.35Å
121	S	88.5	Confident	89.5	Confident	21 Å²	21	34 Å²	34	15%	0.147	24%	0.239	C	C	.	.	S	Bend	trans	-75.9	157.4	-176.7	88.5	0	0	0	0	111.8	R83 F118 M119	R83-S121 PolarHBondContact NE-O 3.04Å; F118-S121 WeakPolarHBondContact O-CB 3.35Å; F118-S121 PolarHBondContact O-N 3.24Å; F118-S121 PolarHBondContact O-OG 2.9Å; M119-S121 VanDerWaalsContact C-N 3.26Å; M119-S121 PolarHBondContact O-N 3.49Å
122	S	85.9	Confident	89.5	Confident	86 Å²	86	36.4 Å²	36.4	60%	0.601	25%	0.25	S	S	*	.			trans	-54.1	141.2	170.1	179	0	0	0	0	111.1	R83 A124	R83-S122 PolarHBondContact NH2-O 3.35Å; S122-A124 VanDerWaalsContact C-N 3.28Å; S122-A124 PolarHBondContact O-N 2.94Å; S122-A124 PolarHBondContact OG-N 3.45Å
123	P	83.5	Confident	89.4	Confident	11 Å²	11	40 Å²	40	7%	0.071	27%	0.274	C	S	.	.			trans	-66.6	-27.4	175.5	23.4	-29.6	0	0	0	113.7	G125 A126 D131	P123-G125 PolarHBondContact O-N 3.33Å; P123-A126 WeakPolarHBondContact O-CB 3.4Å; P123-A126 PolarHBondContact O-N 3.14Å; P123-D131 HydrophobicContact CG-CB 3.68Å
124	A	81.7	Confident	89.5	Confident	82 Å²	82	42.9 Å²	42.9	68%	0.678	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.5	28.8	176.8	0	0	0	0	0	115	S122 A126	S122-A124 VanDerWaalsContact C-N 3.28Å; S122-A124 PolarHBondContact O-N 2.94Å; S122-A124 PolarHBondContact OG-N 3.45Å; A124-A126 PolarHBondContact O-N 2.93Å
125	G	77.5	Confident	89.6	Confident	73 Å²	73	49.1 Å²	49.1	75%	0.753	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.3	14.3	-178.3	0	0	0	0	0	115	P123	P123-G125 PolarHBondContact O-N 3.33Å
126	A	80.7	Confident	89.8	Confident	33 Å²	33	53 Å²	53	27%	0.273	34%	0.34	S	S	.	.			trans	-59.8	143.5	178.2	0	0	0	0	0	111.1	P123 A124 G128 S129	P123-A126 WeakPolarHBondContact O-CB 3.4Å; P123-A126 PolarHBondContact O-N 3.14Å; A124-A126 PolarHBondContact O-N 2.93Å; A126-G128 PolarHBondContact O-N 3.02Å; A126-S129 PolarHBondContact N-OG 3.38Å; A126-S129 WeakPolarHBondContact O-CB 3.47Å; A126-S129 PolarHBondContact O-N 3.47Å; A126-S129 PolarHBondContact O-OG 2.96Å
127	V	81.2	Confident	89.9	Confident	95 Å²	95	53.8 Å²	53.8	58%	0.576	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	134.6	178.8	161.4	0	0	0	0	110.5	C91 S129	C91-V127 HydrophobicContact CB-CB 4.27Å; C91-V127 PolarHBondContact N-O 3.46Å; C91-V127 WeakPolarHBondContact SG-CB 3.22Å; V127-S129 VanDerWaalsContact C-N 3.27Å; V127-S129 PolarHBondContact O-N 3.33Å
128	G	85.2	Confident	90.1	Very high	10 Å²	10	56.9 Å²	56.9	10%	0.103	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.2	5.9	-172.6	0	0	0	0	0	114.5	F84 E85 A126	F84-G128 CarbonylContact C-O 3.59Å; F84-G128 WeakPolarHBondContact CA-O 3.24Å; E85-G128 PolarHBondContact N-O 2.97Å; A126-G128 PolarHBondContact O-N 3.02Å
129	S	90.1	Very high	90.5	Very high	28 Å²	28	60.6 Å²	60.6	20%	0.196	37%	0.371	C	S	.	.	B	Isolated β-bridge	trans	-81.1	150.5	174.7	70.8	0	0	0	0	112.9	R83 A126 V127	R83-S129 CarbonylContact O-C 3.56Å; R83-S129 WeakPolarHBondContact O-CA 3.27Å; A126-S129 PolarHBondContact N-OG 3.38Å; A126-S129 WeakPolarHBondContact O-CB 3.47Å; A126-S129 PolarHBondContact O-N 3.47Å; A126-S129 PolarHBondContact O-OG 2.96Å; V127-S129 VanDerWaalsContact C-N 3.27Å; V127-S129 PolarHBondContact O-N 3.33Å
130	L	92.3	Very high	90.8	Very high	60 Å²	60	61.7 Å²	61.7	31%	0.314	38%	0.377	S	S	.	.			trans	-124.7	146.4	170.2	-63.6	175.3	0	0	0	108.8	R83 E85 R137	R83-L130 PolarHBondContact O-N 3.3Å; E85-L130 HydrophobicContact CB-CD1 4.4Å; E85-L130 HydrophobicContact CB-CD2 4.34Å; E85-L130 HydrophobicContact CB-CG 4.25Å; L130-R137 PolarHBondContact O-NH2 3.32Å
131	D	92.1	Very high	91.1	Very high	119 Å²	119	58.6 Å²	58.6	64%	0.636	36%	0.357	S	S	*	.			trans	-115.4	59.6	172.8	-156	18.4	0	0	0	112.4	P123 R137	P123-D131 HydrophobicContact CG-CB 3.68Å; D131-R137 IonicContact OD1-CZ 2.66Å; D131-R137 IonicContact OD1-NH2 2.95Å; D131-R137 PolarHBondContact OD1-NH2 2.83Å
132	M	95	Very high	91.5	Very high	52 Å²	52	64.9 Å²	64.9	26%	0.256	38%	0.381	S	S	.	.			trans	-69.8	144.8	175.6	-68.3	-172	129.6	0	0	111.2	G82 E136 R137 L140	G82-M132 WeakPolarHBondContact CA-SD 3.35Å; G82-M132 PolarHBondContact O-N 3.34Å; M132-E136 HydrophobicContact CB-CB 4.38Å; M132-E136 HydrophobicContact CB-CG 4.43Å; M132-E136 HydrophobicContact CE-CG 4.04Å; M132-E136 WeakPolarHBondContact CE-OE1 3.44Å; M132-E136 WeakPolarHBondContact CE-OE2 3.29Å; M132-E136 HydrophobicContact SD-CG 3.92Å; M132-R137 HydrophobicContact CB-CG 4.23Å; M132-R137 PolarHBondContact O-NE 3.03Å; M132-R137 VanDerWaalsContact O-NE 3.12Å; M132-R137 PolarHBondContact O-NH2 3.48Å; M132-L140 HydrophobicContact SD-CD1 3.71Å
133	P	95.8	Very high	92.1	Very high	76 Å²	76	66.6 Å²	66.6	49%	0.494	38%	0.378	S	S	.	.			trans	-56.2	150.3	175.6	-25	34.2	0	0	0	112.7	E135 E136 R137	P133-E135 VanDerWaalsContact C-N 3.26Å; P133-E135 PolarHBondContact O-N 3.39Å; P133-E135 VanDerWaalsContact O-N 3.15Å; P133-E136 WeakPolarHBondContact O-CB 3.31Å; P133-E136 PolarHBondContact O-N 3.48Å; P133-R137 PolarHBondContact O-N 3.08Å; P133-R137 VanDerWaalsContact O-N 3.08Å
134	P	96.4	Very high	92.8	Very high	60 Å²	60	66.2 Å²	66.2	39%	0.39	38%	0.376	S	S	.	.	H	α-helix	trans	-47.5	-43	177.2	-34.6	39.1	0	0	0	114.8	D52 E136 R137 K138	D52-P134 WeakPolarHBondContact OD2-CA 3.11Å; D52-P134 VanDerWaalsContact OD2-CB 3.29Å; D52-P134 WeakPolarHBondContact OD2-CB 3.27Å; P134-E136 VanDerWaalsContact C-N 3.31Å; P134-E136 PolarHBondContact O-N 3.45Å; P134-R137 PolarHBondContact O-N 3.21Å; P134-K138 VanDerWaalsContact O-CG 3.3Å; P134-K138 WeakPolarHBondContact O-CG 3.21Å; P134-K138 PolarHBondContact O-N 3.15Å
135	E	97.6	Very high	93.6	Very high	130 Å²	130	65.4 Å²	65.4	61%	0.607	36%	0.359	S	S	*	.	H	α-helix	trans	-65	-34.7	-179.3	-62.7	-50.1	123.4	0	0	112.8	P133 K138 L139	P133-E135 VanDerWaalsContact C-N 3.26Å; P133-E135 PolarHBondContact O-N 3.39Å; P133-E135 VanDerWaalsContact O-N 3.15Å; E135-K138 IonicContact OE1-NZ 3.56Å; E135-K138 PolarHBondContact OE1-NZ 3.33Å; E135-L139 PolarHBondContact O-N 2.94Å
136	E	97.5	Very high	94.5	Very high	83 Å²	83	68.2 Å²	68.2	39%	0.388	36%	0.357	S	S	.	.	H	α-helix	trans	-73.6	-40.7	176	-173	164.1	-158.1	0	0	111.4	M132 P133 P134 K138 L139 L140	M132-E136 HydrophobicContact CB-CB 4.38Å; M132-E136 HydrophobicContact CB-CG 4.43Å; M132-E136 HydrophobicContact CE-CG 4.04Å; M132-E136 WeakPolarHBondContact CE-OE1 3.44Å; M132-E136 WeakPolarHBondContact CE-OE2 3.29Å; M132-E136 HydrophobicContact SD-CG 3.92Å; P133-E136 WeakPolarHBondContact O-CB 3.31Å; P133-E136 PolarHBondContact O-N 3.48Å; P134-E136 VanDerWaalsContact C-N 3.31Å; P134-E136 PolarHBondContact O-N 3.45Å; E136-K138 VanDerWaalsContact C-N 3.33Å; E136-K138 PolarHBondContact O-N 3.34Å; E136-L139 WeakPolarHBondContact O-CB 3.36Å; E136-L139 PolarHBondContact O-N 3.06Å; E136-L139 VanDerWaalsContact O-N 3.13Å; E136-L140 WeakPolarHBondContact O-CG 3.43Å; E136-L140 PolarHBondContact O-N 2.94Å
137	R	97.9	Very high	95.3	Very high	24 Å²	24	69.8 Å²	69.8	9%	0.091	36%	0.356	C	S	.	.	H	α-helix	trans	-58.3	-43.8	172.5	-70.1	176.6	176.9	148.8	8	111.6	D52 F53 G82 L130 D131 M132 P133 P134 L139 L140 A141	D52-R137 HydrophobicContact CB-CB 3.8Å; D52-R137 CarbonylContact O-C 3.57Å; F53-R137 HydrophobicContact CE1-CB 4.44Å; F53-R137 HydrophobicContact CE1-CG 4.28Å; F53-R137 HydrophobicContact CZ-CG 4.3Å; G82-R137 PolarHBondContact O-NE 3.31Å; G82-R137 VanDerWaalsContact O-NE 3.14Å; L130-R137 PolarHBondContact O-NH2 3.32Å; D131-R137 IonicContact OD1-CZ 2.66Å; D131-R137 IonicContact OD1-NH2 2.95Å; D131-R137 PolarHBondContact OD1-NH2 2.83Å; M132-R137 HydrophobicContact CB-CG 4.23Å; M132-R137 PolarHBondContact O-NE 3.03Å; M132-R137 VanDerWaalsContact O-NE 3.12Å; M132-R137 PolarHBondContact O-NH2 3.48Å; P133-R137 PolarHBondContact O-N 3.08Å; P133-R137 VanDerWaalsContact O-N 3.08Å; P134-R137 PolarHBondContact O-N 3.21Å; R137-L139 VanDerWaalsContact C-N 3.34Å; R137-L139 PolarHBondContact O-N 3.29Å; R137-L140 PolarHBondContact O-N 2.99Å; R137-A141 WeakPolarHBondContact O-CB 3.49Å; R137-A141 PolarHBondContact O-N 3.08Å
138	K	98.3	Very high	96	Very high	80 Å²	80	70.2 Å²	70.2	35%	0.348	35%	0.352	S	S	.	.	H	α-helix	trans	-62.3	-38.8	174.3	-69.4	169.6	-166.2	167.9	0	112.4	D52 P134 E135 E136 A141 K142	D52-K138 HydrophobicContact CB-CG 4.14Å; D52-K138 WeakPolarHBondContact O-CA 3.21Å; D52-K138 PolarHBondContact O-N 3.21Å; D52-K138 WeakPolarHBondContact OD1-CE 3.28Å; D52-K138 IonicContact OD1-NZ 2.73Å; P134-K138 VanDerWaalsContact O-CG 3.3Å; P134-K138 WeakPolarHBondContact O-CG 3.21Å; P134-K138 PolarHBondContact O-N 3.15Å; E135-K138 IonicContact OE1-NZ 3.56Å; E135-K138 PolarHBondContact OE1-NZ 3.33Å; E136-K138 VanDerWaalsContact C-N 3.33Å; E136-K138 PolarHBondContact O-N 3.34Å; K138-A141 PolarHBondContact O-N 3.1Å; K138-K142 PolarHBondContact O-N 3.05Å
139	L	98.3	Very high	96.5	Very high	84 Å²	84	69.9 Å²	69.9	44%	0.44	35%	0.347	S	S	.	.	H	α-helix	trans	-65.3	-43.8	175.3	-179.9	62.3	0	0	0	111.4	E135 E136 R137 K142 K143	E135-L139 PolarHBondContact O-N 2.94Å; E136-L139 WeakPolarHBondContact O-CB 3.36Å; E136-L139 PolarHBondContact O-N 3.06Å; E136-L139 VanDerWaalsContact O-N 3.13Å; R137-L139 VanDerWaalsContact C-N 3.34Å; R137-L139 PolarHBondContact O-N 3.29Å; L139-K142 PolarHBondContact O-N 2.88Å; L139-K143 HydrophobicContact CG-CD 4.31Å; L139-K143 WeakPolarHBondContact O-CG 3.22Å; L139-K143 PolarHBondContact O-N 3.42Å
140	L	98.5	Very high	96.7	Very high	23 Å²	23	74 Å²	74	12%	0.12	37%	0.372	C	S	.	.	H	α-helix	trans	-64.5	-39.4	176.1	-68.6	178.5	0	0	0	111.8	P80 M132 E136 R137 K142 K143 S144	P80-L140 HydrophobicContact CB-CD2 4.03Å; M132-L140 HydrophobicContact SD-CD1 3.71Å; E136-L140 WeakPolarHBondContact O-CG 3.43Å; E136-L140 PolarHBondContact O-N 2.94Å; R137-L140 PolarHBondContact O-N 2.99Å; L140-K142 VanDerWaalsContact C-N 3.33Å; L140-K142 PolarHBondContact O-N 3.24Å; L140-K143 PolarHBondContact O-N 2.85Å; L140-S144 WeakPolarHBondContact O-CB 2.95Å; L140-S144 PolarHBondContact O-N 3.26Å
141	A	98.5	Very high	96.7	Very high	1 Å²	1	75.3 Å²	75.3	1%	0.008	38%	0.382	C	S	.	.	H	α-helix	trans	-56.1	-46.3	172.9	0	0	0	0	0	111.4	G56 F58 R137 K138 S144	G56-A141 WeakPolarHBondContact CA-O 3.45Å; F58-A141 HydrophobicContact CZ-CB 4.2Å; R137-A141 WeakPolarHBondContact O-CB 3.49Å; R137-A141 PolarHBondContact O-N 3.08Å; K138-A141 PolarHBondContact O-N 3.1Å; A141-S144 WeakPolarHBondContact O-CB 3.33Å; A141-S144 PolarHBondContact O-N 3.45Å; A141-S144 PolarHBondContact O-OG 3.13Å
142	K	98.1	Very high	96.7	Very high	153 Å²	153	71.2 Å²	71.2	67%	0.665	36%	0.362	S	S	*	.	H	α-helix	trans	-63.8	-44.3	175.1	-67.1	175.7	-174.9	176.9	0	112.7	K138 L139 L140 S144	K138-K142 PolarHBondContact O-N 3.05Å; L139-K142 PolarHBondContact O-N 2.88Å; L140-K142 VanDerWaalsContact C-N 3.33Å; L140-K142 PolarHBondContact O-N 3.24Å; K142-S144 VanDerWaalsContact C-N 3.28Å; K142-S144 PolarHBondContact O-N 3.42Å
143	K	98.2	Very high	96.6	Very high	122 Å²	122	74.5 Å²	74.5	53%	0.53	38%	0.381	S	S	.	.	H	α-helix	trans	-64.2	-32.8	179.8	-73.7	177.3	177.6	177.8	0	112.5	L139 L140 L145 N146	L139-K143 HydrophobicContact CG-CD 4.31Å; L139-K143 WeakPolarHBondContact O-CG 3.22Å; L139-K143 PolarHBondContact O-N 3.42Å; L140-K143 PolarHBondContact O-N 2.85Å; K143-L145 PolarHBondContact O-N 2.89Å; K143-L145 VanDerWaalsContact O-N 3.15Å; K143-N146 PolarHBondContact O-N 2.86Å; K143-N146 VanDerWaalsContact O-N 3.1Å
144	S	98.2	Very high	96.3	Very high	3 Å²	3	72.6 Å²	72.6	2%	0.021	37%	0.368	C	S	.	.	H	α-helix	trans	-56.5	-31.3	-177.6	76.8	0	0	0	0	113.5	G56 I57 L140 A141 K142 N146 W147 M156	G56-S144 WeakPolarHBondContact CA-OG 3.38Å; I57-S144 PolarHBondContact N-OG 3.46Å; I57-S144 VanDerWaalsContact O-CB 3.27Å; I57-S144 WeakPolarHBondContact O-CB 3.44Å; I57-S144 PolarHBondContact O-OG 3.48Å; L140-S144 WeakPolarHBondContact O-CB 2.95Å; L140-S144 PolarHBondContact O-N 3.26Å; A141-S144 WeakPolarHBondContact O-CB 3.33Å; A141-S144 PolarHBondContact O-N 3.45Å; A141-S144 PolarHBondContact O-OG 3.13Å; K142-S144 VanDerWaalsContact C-N 3.28Å; K142-S144 PolarHBondContact O-N 3.42Å; S144-N146 PolarHBondContact O-N 2.96Å; S144-W147 VanDerWaalsContact O-CB 3.24Å; S144-W147 WeakPolarHBondContact O-CB 3.43Å; S144-W147 PolarHBondContact O-N 3.2Å; S144-M156 WeakPolarHBondContact O-CB 3.29Å; S144-M156 WeakPolarHBondContact O-CG 3.4Å
145	L	97.3	Very high	96.3	Very high	64 Å²	64	77.2 Å²	77.2	34%	0.335	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-31.5	179.1	-65.4	174.2	0	0	0	113.5	I57 K143 K157	I57-L145 HydrophobicContact CB-CD2 4.34Å; I57-L145 HydrophobicContact CG1-CD2 3.62Å; K143-L145 PolarHBondContact O-N 2.89Å; K143-L145 VanDerWaalsContact O-N 3.15Å; L145-K157 WeakPolarHBondContact O-CB 3.18Å; L145-K157 PolarHBondContact O-N 2.86Å
146	N	97.2	Very high	96.2	Very high	132 Å²	132	71.1 Å²	71.1	71%	0.706	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-2.1	179	-65.4	-43.3	0	0	0	112.8	K143 S144	K143-N146 PolarHBondContact O-N 2.86Å; K143-N146 VanDerWaalsContact O-N 3.1Å; S144-N146 PolarHBondContact O-N 2.96Å
147	W	97.8	Very high	96	Very high	67 Å²	67	73 Å²	73	25%	0.254	36%	0.356	S	S	.	.			trans	-73.2	147.2	175.8	-167.4	92.4	0	0	0	110.4	H59 L78 T79 S144 C149 M156	H59-W147 HydrophobicContact CB-CE3 4.01Å; H59-W147 HydrophobicContact CB-CH2 3.98Å; H59-W147 HydrophobicContact CB-CZ3 3.36Å; H59-W147 AromaticContact CD2-CH2 3.79Å; H59-W147 AromaticContact CD2-CZ3 3.63Å; H59-W147 AromaticContact CG-CZ3 3.71Å; L78-W147 HydrophobicContact CB-CH2 3.87Å; L78-W147 HydrophobicContact CB-CZ2 4.06Å; T79-W147 HydrophobicContact CG2-CB 4.17Å; T79-W147 HydrophobicContact CG2-CD2 4.31Å; T79-W147 HydrophobicContact CG2-CG 4.03Å; S144-W147 VanDerWaalsContact O-CB 3.24Å; S144-W147 WeakPolarHBondContact O-CB 3.43Å; S144-W147 PolarHBondContact O-N 3.2Å; W147-C149 VanDerWaalsContact CH2-CA 3.48Å; W147-C149 HydrophobicContact CH2-CB 3.78Å; W147-C149 VanDerWaalsContact CZ3-CA 3.5Å; W147-C149 HydrophobicContact CZ3-CB 3.68Å; W147-C149 VanDerWaalsContact CZ3-N 3.29Å; W147-M156 HydrophobicContact CB-CG 4.25Å; W147-M156 HydrophobicContact CE3-CE 3.78Å; W147-M156 HydrophobicContact CE3-CG 3.9Å; W147-M156 HydrophobicContact CE3-SD 4.22Å; W147-M156 HydrophobicContact CZ3-CE 3.78Å; W147-M156 WeakPolarHBondContact O-CG 3Å; W147-M156 PolarHBondContact O-N 2.87Å
148	H	95.9	Very high	95.8	Very high	104 Å²	104	76.8 Å²	76.8	48%	0.481	38%	0.378	S	S	.	.	B	Isolated β-bridge	trans	-137.9	147.5	172.9	65.3	-82.6	0	0	0	110.3	V154 R155	H148-V154 VanDerWaalsContact CA-O 3.31Å; H148-V154 WeakPolarHBondContact CA-O 3.25Å; H148-R155 HydrophobicContact CB-CG 4.38Å
149	C	95.8	Very high	95.7	Very high	2 Å²	2	74.2 Å²	74.2	1%	0.014	37%	0.369	C	S	.	.			trans	-81.2	128.8	177.1	-175.3	0	0	0	0	110.2	H42 W147 V151 C152 N153 V154	H42-C149 VanDerWaalsContact CE1-SG 3.51Å; W147-C149 VanDerWaalsContact CH2-CA 3.48Å; W147-C149 HydrophobicContact CH2-CB 3.78Å; W147-C149 VanDerWaalsContact CZ3-CA 3.5Å; W147-C149 HydrophobicContact CZ3-CB 3.68Å; W147-C149 VanDerWaalsContact CZ3-N 3.29Å; C149-V151 VanDerWaalsContact C-N 3.27Å; C149-V151 PolarHBondContact O-N 2.85Å; C149-V151 PolarHBondContact SG-N 3.34Å; C149-V151 VanDerWaalsContact SG-N 3.4Å; C149-C152 WeakPolarHBondContact CB-SG 3.5Å; C149-N153 WeakPolarHBondContact O-CA 3.46Å; C149-N153 PolarHBondContact O-N 3.19Å; C149-V154 PolarHBondContact N-O 3.06Å
150	T	93.6	Very high	95.6	Very high	116 Å²	116	71 Å²	71	71%	0.712	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-15	176.2	53.2	0	0	0	0	113.7
151	V	92.5	Very high	95.5	Very high	86 Å²	86	72.5 Å²	72.5	52%	0.521	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-53.7	-179.3	-178.8	0	0	0	0	111.1	L34 C149	L34-V151 HydrophobicContact CD1-CG1 4.13Å; L34-V151 HydrophobicContact CD2-CG1 4.43Å; C149-V151 VanDerWaalsContact C-N 3.27Å; C149-V151 PolarHBondContact O-N 2.85Å; C149-V151 PolarHBondContact SG-N 3.34Å; C149-V151 VanDerWaalsContact SG-N 3.4Å
152	C	92.3	Very high	95.3	Very high	34 Å²	34	77.2 Å²	77.2	23%	0.23	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-0.3	-177.5	68.6	0	0	0	0	114.2	L34 H42 H59 C149 V154	L34-C152 HydrophobicContact CD2-CB 4.01Å; H42-C152 PolarHBondContact ND1-SG 2.85Å; H42-C152 VanDerWaalsContact ND1-SG 3.43Å; H59-C152 PolarHBondContact NE2-SG 2.9Å; H59-C152 VanDerWaalsContact NE2-SG 3.41Å; C149-C152 WeakPolarHBondContact CB-SG 3.5Å; C152-V154 HydrophobicContact CB-CG2 4.29Å; C152-V154 PolarHBondContact O-N 3Å; C152-V154 WeakPolarHBondContact SG-CG2 3.47Å
153	N	91.9	Very high	95.2	Very high	120 Å²	120	73.2 Å²	73.2	64%	0.642	38%	0.379	S	S	*	.			trans	58	15.1	179.2	-65.6	-48.1	0	0	0	115.6	C149 R155	C149-N153 WeakPolarHBondContact O-CA 3.46Å; C149-N153 PolarHBondContact O-N 3.19Å; N153-R155 PolarHBondContact O-N 3.42Å
154	V	91.4	Very high	95.1	Very high	37 Å²	37	71 Å²	71	22%	0.224	38%	0.376	C	S	.	.			trans	-68.7	132.2	176.8	175	0	0	0	0	110.1	H148 C149 C152 M156 V159	H148-V154 VanDerWaalsContact CA-O 3.31Å; H148-V154 WeakPolarHBondContact CA-O 3.25Å; C149-V154 PolarHBondContact N-O 3.06Å; C152-V154 HydrophobicContact CB-CG2 4.29Å; C152-V154 PolarHBondContact O-N 3Å; C152-V154 WeakPolarHBondContact SG-CG2 3.47Å; V154-M156 HydrophobicContact CB-CE 4.13Å; V154-M156 HydrophobicContact CG1-CE 3.69Å; V154-M156 WeakPolarHBondContact O-CE 3.42Å; V154-V159 HydrophobicContact CG1-CB 3.73Å; V154-V159 HydrophobicContact CG1-CG1 4.31Å; V154-V159 HydrophobicContact CG1-CG2 3.5Å; V154-V159 VanDerWaalsContact CG1-CG2 3.5Å
155	R	94.6	Very high	94.9	Very high	156 Å²	156	75.1 Å²	75.1	59%	0.589	41%	0.41	S	S	*	.	B	Isolated β-bridge	trans	-98.5	124.4	174	-65.2	179.6	175.1	-174.2	-3.5	109.7	H148 N153 K157 D158 V159	H148-R155 HydrophobicContact CB-CG 4.38Å; N153-R155 PolarHBondContact O-N 3.42Å; R155-K157 VanDerWaalsContact C-N 3.34Å; R155-K157 PolarHBondContact O-N 3.04Å; R155-D158 PolarHBondContact O-N 3.25Å; R155-V159 PolarHBondContact O-N 3.1Å
156	M	96	Very high	94.7	Very high	2 Å²	2	76 Å²	76	1%	0.01	43%	0.427	C	S	.	.	H	α-helix	trans	-62.9	-38.4	-171.5	-66.4	-49.6	110	0	0	113.3	T44 I57 H59 S144 W147 V154 D158 V159	T44-M156 HydrophobicContact CG2-SD 3.71Å; I57-M156 HydrophobicContact CB-CB 4.01Å; I57-M156 HydrophobicContact CG2-CB 3.8Å; I57-M156 HydrophobicContact CG2-CG 4.31Å; I57-M156 WeakPolarHBondContact CG2-O 3.4Å; I57-M156 HydrophobicContact CG2-SD 4.03Å; H59-M156 HydrophobicContact CB-CE 3.8Å; H59-M156 HydrophobicContact CB-SD 3.74Å; S144-M156 WeakPolarHBondContact O-CB 3.29Å; S144-M156 WeakPolarHBondContact O-CG 3.4Å; W147-M156 HydrophobicContact CB-CG 4.25Å; W147-M156 HydrophobicContact CE3-CE 3.78Å; W147-M156 HydrophobicContact CE3-CG 3.9Å; W147-M156 HydrophobicContact CE3-SD 4.22Å; W147-M156 HydrophobicContact CZ3-CE 3.78Å; W147-M156 WeakPolarHBondContact O-CG 3Å; W147-M156 PolarHBondContact O-N 2.87Å; V154-M156 HydrophobicContact CB-CE 4.13Å; V154-M156 HydrophobicContact CG1-CE 3.69Å; V154-M156 WeakPolarHBondContact O-CE 3.42Å; M156-D158 PolarHBondContact O-N 2.87Å; M156-D158 VanDerWaalsContact O-N 3.16Å; M156-V159 WeakPolarHBondContact O-CG1 3.19Å
157	K	94	Very high	94.6	Very high	122 Å²	122	70 Å²	70	53%	0.53	40%	0.395	S	S	.	.	H	α-helix	trans	-60.5	-23.2	178.1	59.8	170.6	-171.8	-179.4	0	115.5	L145 R155	L145-K157 WeakPolarHBondContact O-CB 3.18Å; L145-K157 PolarHBondContact O-N 2.86Å; R155-K157 VanDerWaalsContact C-N 3.34Å; R155-K157 PolarHBondContact O-N 3.04Å
158	D	93.8	Very high	94.6	Very high	104 Å²	104	68.6 Å²	68.6	56%	0.556	40%	0.398	S	S	*	.	H	α-helix	trans	-110.1	-8.4	-169.7	-57.7	-48.2	0	0	0	112.9	R155 M156	R155-D158 PolarHBondContact O-N 3.25Å; M156-D158 PolarHBondContact O-N 2.87Å; M156-D158 VanDerWaalsContact O-N 3.16Å
159	V	95.2	Very high	94.6	Very high	27 Å²	27	70.2 Å²	70.2	16%	0.164	41%	0.411	C	S	.	.	H	α-helix	trans	-85.7	-33.2	-163.7	69.3	0	0	0	0	114.6	V30 T44 I57 V154 R155 M156	V30-V159 HydrophobicContact CG1-CG2 3.6Å; T44-V159 HydrophobicContact CG2-CG1 3.62Å; I57-V159 HydrophobicContact CG2-CG1 4.07Å; V154-V159 HydrophobicContact CG1-CB 3.73Å; V154-V159 HydrophobicContact CG1-CG1 4.31Å; V154-V159 HydrophobicContact CG1-CG2 3.5Å; V154-V159 VanDerWaalsContact CG1-CG2 3.5Å; R155-V159 PolarHBondContact O-N 3.1Å; M156-V159 WeakPolarHBondContact O-CG1 3.19Å
160	L	97	Very high	94.6	Very high	16 Å²	16	72.1 Å²	72.1	8%	0.084	42%	0.42	C	S	.	.	S	Bend	trans	-108.6	136.5	-179.6	-61.4	-176.2	0	0	0	110.8	F29 V30 T44 R46 I57	F29-L160 VanDerWaalsContact C-CD2 3.47Å; V30-L160 HydrophobicContact CB-CD2 4.05Å; V30-L160 HydrophobicContact CG1-CD2 3.89Å; T44-L160 HydrophobicContact CG2-CD1 4.4Å; T44-L160 HydrophobicContact CG2-CG 4.47Å; R46-L160 HydrophobicContact CB-CD1 3.86Å; I57-L160 HydrophobicContact CD1-CD1 4.04Å
161	P	95.8	Very high	94.8	Very high	54 Å²	54	70.7 Å²	70.7	35%	0.351	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-55.6	154.4	169.5	-22.4	32.8	0	0	0	112.2	T26 E27 R46	T26-P161 WeakPolarHBondContact O-CD 3.48Å; E27-P161 HydrophobicContact CG-CB 4.42Å; R46-P161 PolarHBondContact NH2-O 3.27Å
162	P	94.9	Very high	95	Very high	101 Å²	101	71.6 Å²	71.6	66%	0.656	40%	0.4	S	S	*	.	P	Polyproline II helix	trans	-56.3	149.2	171.7	-22.5	33.3	0	0	0	111.9
163	L	95.1	Very high	95.1	Very high	68 Å²	68	73.2 Å²	73.2	36%	0.356	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-69.2	135.9	173.4	-73.1	172.4	0	0	0	110.8	E27 L28 S167	E27-L163 HydrophobicContact CB-CD2 3.93Å; E27-L163 WeakPolarHBondContact OE2-CA 3.17Å; L28-L163 HydrophobicContact CD2-CD2 3.68Å; L163-S167 WeakPolarHBondContact CD2-OG 3.5Å
164	T	96	Very high	95.3	Very high	75 Å²	75	67.6 Å²	67.6	46%	0.46	37%	0.374	S	S	.	.			trans	-127.9	178.2	170.9	78.1	0	0	0	0	110.3	E27 A166 S167	E27-T164 VanDerWaalsContact CD-N 3.34Å; E27-T164 WeakPolarHBondContact OE1-CB 3.45Å; E27-T164 WeakPolarHBondContact OE1-CG2 3.38Å; E27-T164 PolarHBondContact OE1-N 3.25Å; E27-T164 PolarHBondContact OE1-OG1 3.07Å; E27-T164 PolarHBondContact OE2-N 3.49Å; T164-A166 PolarHBondContact O-N 3.02Å; T164-A166 VanDerWaalsContact OG1-CB 3.32Å; T164-A166 WeakPolarHBondContact OG1-CB 3.49Å; T164-A166 PolarHBondContact OG1-N 3.07Å; T164-A166 VanDerWaalsContact OG1-N 3.13Å; T164-S167 PolarHBondContact O-N 3.36Å; T164-S167 PolarHBondContact O-OG 3.31Å
165	A	94.8	Very high	95.4	Very high	90 Å²	90	69.1 Å²	69.1	74%	0.744	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-61	-20.6	173	0	0	0	0	0	112.9	S167 A168	A165-S167 VanDerWaalsContact C-N 3.25Å; A165-S167 PolarHBondContact O-N 3.43Å; A165-A168 WeakPolarHBondContact O-CB 3.29Å; A165-A168 PolarHBondContact O-N 3.28Å
166	A	93.9	Very high	95.4	Very high	83 Å²	83	65.5 Å²	65.5	69%	0.686	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-65.8	-22.7	-177.5	0	0	0	0	0	113.9	T164	T164-A166 PolarHBondContact O-N 3.02Å; T164-A166 VanDerWaalsContact OG1-CB 3.32Å; T164-A166 WeakPolarHBondContact OG1-CB 3.49Å; T164-A166 PolarHBondContact OG1-N 3.07Å; T164-A166 VanDerWaalsContact OG1-N 3.13Å
167	S	95.3	Very high	95.1	Very high	5 Å²	5	66.8 Å²	66.8	4%	0.035	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-89.5	6	177.2	57.8	0	0	0	0	114.4	E27 L163 T164 A165 D169 M170 R171	E27-S167 WeakPolarHBondContact OE2-CB 3.38Å; E27-S167 PolarHBondContact OE2-OG 3.22Å; L163-S167 WeakPolarHBondContact CD2-OG 3.5Å; T164-S167 PolarHBondContact O-N 3.36Å; T164-S167 PolarHBondContact O-OG 3.31Å; A165-S167 VanDerWaalsContact C-N 3.25Å; A165-S167 PolarHBondContact O-N 3.43Å; S167-D169 PolarHBondContact O-N 3.27Å; S167-M170 PolarHBondContact O-N 3.44Å; S167-R171 WeakPolarHBondContact O-CB 3.49Å; S167-R171 VanDerWaalsContact O-CG 3.3Å; S167-R171 WeakPolarHBondContact O-CG 3.38Å; S167-R171 PolarHBondContact O-N 2.82Å; S167-R171 PolarHBondContact O-NE 3.14Å
168	A	96	Very high	94.7	Very high	39 Å²	39	61 Å²	61	32%	0.322	36%	0.355	S	S	.	.	H	α-helix	trans	-56.9	-49.7	-179	0	0	0	0	0	112.7	A165 M170 R171 Q172	A165-A168 WeakPolarHBondContact O-CB 3.29Å; A165-A168 PolarHBondContact O-N 3.28Å; A168-M170 PolarHBondContact O-N 2.98Å; A168-R171 PolarHBondContact O-N 3.16Å; A168-Q172 PolarHBondContact O-N 3.02Å
169	D	96.8	Very high	94.3	Very high	138 Å²	138	64.8 Å²	64.8	74%	0.738	36%	0.361	S	S	*	.	H	α-helix	trans	-64.3	-42.4	-178.4	-61.6	-19.5	0	0	0	111.3	S167 R171 Q172 E173	S167-D169 PolarHBondContact O-N 3.27Å; D169-R171 VanDerWaalsContact C-N 3.34Å; D169-R171 PolarHBondContact O-N 2.98Å; D169-Q172 WeakPolarHBondContact O-CB 3.35Å; D169-Q172 PolarHBondContact O-N 3.43Å; D169-Q172 VanDerWaalsContact O-N 3.15Å; D169-E173 PolarHBondContact O-N 2.61Å
170	M	96.7	Very high	93.6	Very high	42 Å²	42	66.1 Å²	66.1	21%	0.207	37%	0.372	C	S	.	.	H	α-helix	trans	-67	-34.5	178.6	-164.1	-175.2	-63.6	0	0	112.4	T26 L28 F29 L113 S167 A168 Q172 E173 A174	T26-M170 HydrophobicContact CG2-CE 4.12Å; T26-M170 HydrophobicContact CG2-SD 4.36Å; L28-M170 HydrophobicContact CB-SD 4.28Å; L28-M170 HydrophobicContact CD1-CB 3.91Å; L28-M170 HydrophobicContact CD1-CG 3.68Å; L28-M170 HydrophobicContact CD1-SD 3.86Å; L28-M170 HydrophobicContact CG-SD 4.16Å; F29-M170 HydrophobicContact CD1-SD 4.5Å; F29-M170 HydrophobicContact CE1-SD 3.72Å; F29-M170 HydrophobicContact CZ-SD 4.33Å; L113-M170 HydrophobicContact CD2-CG 3.7Å; L113-M170 HydrophobicContact CD2-SD 4.31Å; S167-M170 PolarHBondContact O-N 3.44Å; A168-M170 PolarHBondContact O-N 2.98Å; M170-Q172 VanDerWaalsContact C-N 3.34Å; M170-E173 PolarHBondContact O-N 3Å; M170-A174 PolarHBondContact O-N 2.78Å
171	R	96.5	Very high	92.5	Very high	86 Å²	86	65.5 Å²	65.5	33%	0.325	37%	0.369	S	S	.	.	H	α-helix	trans	-66.1	-39.3	172.2	-74.6	-177.6	-67.6	141.3	-1.7	111.2	L28 S167 A168 D169 A174 K175	L28-R171 HydrophobicContact CD1-CG 3.74Å; L28-R171 HydrophobicContact CD2-CG 3.72Å; L28-R171 HydrophobicContact CG-CG 4.33Å; S167-R171 WeakPolarHBondContact O-CB 3.49Å; S167-R171 VanDerWaalsContact O-CG 3.3Å; S167-R171 WeakPolarHBondContact O-CG 3.38Å; S167-R171 PolarHBondContact O-N 2.82Å; S167-R171 PolarHBondContact O-NE 3.14Å; A168-R171 PolarHBondContact O-N 3.16Å; D169-R171 VanDerWaalsContact C-N 3.34Å; D169-R171 PolarHBondContact O-N 2.98Å; R171-A174 PolarHBondContact O-N 3.07Å; R171-K175 WeakPolarHBondContact O-CG 3.4Å; R171-K175 PolarHBondContact O-N 3.37Å
172	Q	96.2	Very high	91.2	Very high	105 Å²	105	65.1 Å²	65.1	49%	0.491	36%	0.363	S	S	.	.	H	α-helix	trans	-67.2	-41.5	176.1	-175.8	59.8	16.1	0	0	111.3	A168 D169 M170 A174 K175 V176	A168-Q172 PolarHBondContact O-N 3.02Å; D169-Q172 WeakPolarHBondContact O-CB 3.35Å; D169-Q172 PolarHBondContact O-N 3.43Å; D169-Q172 VanDerWaalsContact O-N 3.15Å; M170-Q172 VanDerWaalsContact C-N 3.34Å; Q172-A174 VanDerWaalsContact C-N 3.34Å; Q172-A174 PolarHBondContact O-N 3.2Å; Q172-K175 PolarHBondContact O-N 2.94Å; Q172-V176 WeakPolarHBondContact O-CG2 3.42Å; Q172-V176 PolarHBondContact O-N 3.43Å
173	E	96.3	Very high	89.5	Confident	68 Å²	68	63 Å²	63	32%	0.318	35%	0.351	S	S	.	.	H	α-helix	trans	-56.2	-47.2	173.4	-170.9	-173.5	172.5	0	0	111.3	R109 L113 D169 M170 K175 V176 L177	R109-E173 IonicContact CZ-OE1 3.84Å; R109-E173 IonicContact CZ-OE2 3.93Å; R109-E173 IonicContact NH1-OE1 3.12Å; R109-E173 PolarHBondContact NH1-OE1 2.87Å; R109-E173 IonicContact NH1-OE2 3.85Å; R109-E173 PolarHBondContact NH1-OE2 2.84Å; R109-E173 IonicContact NH2-OE1 2.87Å; R109-E173 IonicContact NH2-OE2 2.75Å; R109-E173 PolarHBondContact NH2-OE2 2.97Å; L113-E173 VanDerWaalsContact CD1-CD 3.47Å; L113-E173 HydrophobicContact CD1-CG 4.08Å; L113-E173 WeakPolarHBondContact CD1-OE1 3.46Å; D169-E173 PolarHBondContact O-N 2.61Å; M170-E173 PolarHBondContact O-N 3Å; E173-K175 VanDerWaalsContact C-N 3.33Å; E173-K175 PolarHBondContact O-N 3.47Å; E173-V176 PolarHBondContact O-N 3.31Å; E173-L177 HydrophobicContact CG-CD1 4Å; E173-L177 HydrophobicContact CG-CG 4.49Å; E173-L177 WeakPolarHBondContact O-CB 3.47Å; E173-L177 WeakPolarHBondContact O-CG 3.1Å; E173-L177 PolarHBondContact O-N 3.26Å
174	A	95.8	Very high	87.7	Confident	2 Å²	2	62 Å²	62	2%	0.017	35%	0.35	C	S	.	.	H	α-helix	trans	-57.3	-43.7	175.6	0	0	0	0	0	112.6	L113 I116 G117 M170 R171 Q172 L177 G178	L113-A174 HydrophobicContact CB-CB 4.37Å; L113-A174 HydrophobicContact CD2-CB 4.06Å; L113-A174 WeakPolarHBondContact O-CB 3.5Å; I116-A174 HydrophobicContact CB-CB 4.21Å; I116-A174 HydrophobicContact CG2-CB 3.93Å; G117-A174 VanDerWaalsContact CA-O 3.31Å; G117-A174 WeakPolarHBondContact CA-O 3.47Å; M170-A174 PolarHBondContact O-N 2.78Å; R171-A174 PolarHBondContact O-N 3.07Å; Q172-A174 VanDerWaalsContact C-N 3.34Å; Q172-A174 PolarHBondContact O-N 3.2Å; A174-L177 PolarHBondContact O-N 2.66Å; A174-G178 PolarHBondContact O-N 3.21Å
175	K	93.6	Very high	85.7	Confident	69 Å²	69	59.5 Å²	59.5	30%	0.3	34%	0.337	S	S	.	.	H	α-helix	trans	-64	-42.3	177.6	-68.9	-179.7	-169.6	-168.5	0	112.4	D50 R171 Q172 E173 R179	D50-K175 VanDerWaalsContact CG-NZ 3.29Å; D50-K175 WeakPolarHBondContact OD1-CE 3.35Å; D50-K175 IonicContact OD1-NZ 3.37Å; D50-K175 PolarHBondContact OD1-NZ 3.12Å; D50-K175 VanDerWaalsContact OD2-CE 3.31Å; D50-K175 WeakPolarHBondContact OD2-CE 3.3Å; D50-K175 IonicContact OD2-NZ 2.61Å; D50-K175 PolarHBondContact OD2-NZ 3.14Å; R171-K175 WeakPolarHBondContact O-CG 3.4Å; R171-K175 PolarHBondContact O-N 3.37Å; Q172-K175 PolarHBondContact O-N 2.94Å; E173-K175 VanDerWaalsContact C-N 3.33Å; E173-K175 PolarHBondContact O-N 3.47Å; K175-R179 WeakPolarHBondContact O-CG 3.47Å; K175-R179 PolarHBondContact O-N 3.47Å
176	V	93.2	Very high	83.8	Confident	80 Å²	80	61.1 Å²	61.1	49%	0.485	33%	0.329	S	S	.	.	H	α-helix	trans	-65.7	-47.7	178.7	172.9	0	0	0	0	110.3	Q172 E173 G178 R179 S180	Q172-V176 WeakPolarHBondContact O-CG2 3.42Å; Q172-V176 PolarHBondContact O-N 3.43Å; E173-V176 PolarHBondContact O-N 3.31Å; V176-G178 PolarHBondContact O-N 3.38Å; V176-R179 PolarHBondContact O-N 2.73Å; V176-S180 PolarHBondContact O-N 2.88Å; V176-S180 PolarHBondContact O-OG 3.2Å
177	L	90.8	Very high	81.8	Confident	29 Å²	29	60.7 Å²	60.7	15%	0.152	32%	0.321	C	S	.	.	H	α-helix	trans	-60.2	-45.5	177.1	-75	171.1	0	0	0	111.9	T110 L113 E173 A174 R179 S180 V181	T110-L177 HydrophobicContact CG2-CD1 4.27Å; T110-L177 HydrophobicContact CG2-CD2 4.26Å; L113-L177 HydrophobicContact CB-CD1 3.67Å; L113-L177 HydrophobicContact CD1-CD1 4.13Å; E173-L177 HydrophobicContact CG-CD1 4Å; E173-L177 HydrophobicContact CG-CG 4.49Å; E173-L177 WeakPolarHBondContact O-CB 3.47Å; E173-L177 WeakPolarHBondContact O-CG 3.1Å; E173-L177 PolarHBondContact O-N 3.26Å; A174-L177 PolarHBondContact O-N 2.66Å; L177-R179 VanDerWaalsContact C-N 3.26Å; L177-R179 PolarHBondContact O-N 2.93Å; L177-S180 PolarHBondContact O-N 3.47Å; L177-S180 PolarHBondContact O-OG 3.05Å; L177-V181 VanDerWaalsContact O-CB 3.24Å; L177-V181 WeakPolarHBondContact O-CB 3.12Å; L177-V181 WeakPolarHBondContact O-CG2 3.35Å; L177-V181 PolarHBondContact O-N 2.8Å
178	G	85.6	Confident	79.6	Confident	1 Å²	1	61.5 Å²	61.5	1%	0.01	33%	0.328	C	S	.	.	H	α-helix	trans	-54.2	-44.2	176.9	0	0	0	0	0	112.1	A174 V176 L182	A174-G178 PolarHBondContact O-N 3.21Å; V176-G178 PolarHBondContact O-N 3.38Å; G178-L182 VanDerWaalsContact O-CB 3.29Å; G178-L182 WeakPolarHBondContact O-CB 3.38Å; G178-L182 WeakPolarHBondContact O-CD1 3.47Å; G178-L182 WeakPolarHBondContact O-CG 3.49Å; G178-L182 PolarHBondContact O-N 2.72Å
179	R	84.2	Confident	77.4	Confident	182 Å²	182	62.9 Å²	62.9	69%	0.687	33%	0.332	S	S	*	.	H	α-helix	trans	-69.6	-46.5	179.1	-68.9	174.4	-178.4	179.3	-0.5	113.4	K175 V176 L177 V181 L182 S183	K175-R179 WeakPolarHBondContact O-CG 3.47Å; K175-R179 PolarHBondContact O-N 3.47Å; V176-R179 PolarHBondContact O-N 2.73Å; L177-R179 VanDerWaalsContact C-N 3.26Å; L177-R179 PolarHBondContact O-N 2.93Å; R179-V181 VanDerWaalsContact C-N 3.3Å; R179-V181 PolarHBondContact O-N 2.96Å; R179-L182 PolarHBondContact O-N 3.44Å; R179-S183 PolarHBondContact O-N 3.15Å; R179-S183 VanDerWaalsContact O-N 3.1Å; R179-S183 PolarHBondContact O-OG 2.81Å
180	S	80.4	Confident	74.8	Confident	56 Å²	56	59.8 Å²	59.8	39%	0.392	32%	0.321	S	S	.	.	H	α-helix	trans	-68.7	-32.4	-177.6	62.5	0	0	0	0	112.6	V176 L177 S183 S184	V176-S180 PolarHBondContact O-N 2.88Å; V176-S180 PolarHBondContact O-OG 3.2Å; L177-S180 PolarHBondContact O-N 3.47Å; L177-S180 PolarHBondContact O-OG 3.05Å; S180-S183 PolarHBondContact O-OG 3.16Å; S180-S184 PolarHBondContact O-OG 3.31Å; S180-S184 VanDerWaalsContact O-OG 3.07Å
181	V	74.6	Confident	72.2	Confident	3 Å²	3	62.2 Å²	62.2	2%	0.018	34%	0.339	C	S	.	.	H	α-helix	trans	-79.8	-36.2	-179.5	-173.5	0	0	0	0	109.1	S93 I94 W106 F118 L177 R179	S93-V181 VanDerWaalsContact OG-C 3.32Å; S93-V181 WeakPolarHBondContact OG-CG1 3.22Å; S93-V181 PolarHBondContact OG-O 3.33Å; I94-V181 HydrophobicContact CB-CG1 4.27Å; W106-V181 HydrophobicContact CH2-CG1 4.33Å; W106-V181 HydrophobicContact CH2-CG2 4.25Å; W106-V181 HydrophobicContact CZ2-CG2 4.28Å; F118-V181 HydrophobicContact CE2-CB 3.94Å; F118-V181 HydrophobicContact CE2-CG1 3.69Å; F118-V181 HydrophobicContact CZ-CB 3.84Å; F118-V181 HydrophobicContact CZ-CG1 3.67Å; L177-V181 VanDerWaalsContact O-CB 3.24Å; L177-V181 WeakPolarHBondContact O-CB 3.12Å; L177-V181 WeakPolarHBondContact O-CG2 3.35Å; L177-V181 PolarHBondContact O-N 2.8Å; R179-V181 VanDerWaalsContact C-N 3.3Å; R179-V181 PolarHBondContact O-N 2.96Å
182	L	67.9	Low	69.7	Low	45 Å²	45	64 Å²	64	24%	0.236	35%	0.353	C	S	.	.	H	α-helix	trans	-56.8	-52.6	169.1	-83.7	164.6	0	0	0	113.2	F118 G178 R179 S184 A185 E186	F118-L182 HydrophobicContact CD1-CD1 4.2Å; F118-L182 HydrophobicContact CD1-CD2 3.64Å; F118-L182 HydrophobicContact CD1-CG 3.62Å; F118-L182 HydrophobicContact CE1-CB 4.16Å; F118-L182 HydrophobicContact CE1-CD1 4.26Å; F118-L182 HydrophobicContact CE1-CD2 3.29Å; F118-L182 HydrophobicContact CE1-CG 3.23Å; F118-L182 HydrophobicContact CZ-CD2 4.45Å; F118-L182 HydrophobicContact CZ-CG 4.12Å; G178-L182 VanDerWaalsContact O-CB 3.29Å; G178-L182 WeakPolarHBondContact O-CB 3.38Å; G178-L182 WeakPolarHBondContact O-CD1 3.47Å; G178-L182 WeakPolarHBondContact O-CG 3.49Å; G178-L182 PolarHBondContact O-N 2.72Å; R179-L182 PolarHBondContact O-N 3.44Å; L182-S184 PolarHBondContact O-N 3Å; L182-S184 VanDerWaalsContact O-N 3.14Å; L182-A185 WeakPolarHBondContact O-CB 3.5Å; L182-A185 PolarHBondContact O-N 2.91Å; L182-E186 PolarHBondContact O-N 3.26Å
183	S	59.5	Low	67.2	Low	57 Å²	57	65.9 Å²	65.9	40%	0.399	37%	0.366	S	S	.	.	H	α-helix	trans	-60.6	-30	-173.3	60	0	0	0	0	112.9	R179 S180 S187	R179-S183 PolarHBondContact O-N 3.15Å; R179-S183 VanDerWaalsContact O-N 3.1Å; R179-S183 PolarHBondContact O-OG 2.81Å; S180-S183 PolarHBondContact O-OG 3.16Å; S183-S187 WeakPolarHBondContact O-CB 3.2Å; S183-S187 PolarHBondContact O-N 3.24Å; S183-S187 VanDerWaalsContact O-N 3.16Å; S183-S187 PolarHBondContact O-OG 2.84Å
184	S	58.2	Low	64.5	Low	48 Å²	48	66.9 Å²	66.9	34%	0.336	38%	0.38	S	S	.	.	H	α-helix	trans	-68.6	-34.6	176.4	-54.9	0	0	0	0	111.9	S180 L182 A188	S180-S184 PolarHBondContact O-OG 3.31Å; S180-S184 VanDerWaalsContact O-OG 3.07Å; L182-S184 PolarHBondContact O-N 3Å; L182-S184 VanDerWaalsContact O-N 3.14Å; S184-A188 PolarHBondContact O-N 2.92Å
185	A	54.3	Low	61.7	Low	21 Å²	21	73.1 Å²	73.1	17%	0.174	41%	0.414	C	S	.	.	H	α-helix	trans	-74.8	-39.5	178.6	0	0	0	0	0	112.6	L182 A188 T189	L182-A185 WeakPolarHBondContact O-CB 3.5Å; L182-A185 PolarHBondContact O-N 2.91Å; A185-A188 PolarHBondContact O-N 2.97Å; A185-T189 WeakPolarHBondContact O-CB 3.27Å; A185-T189 PolarHBondContact O-N 3.45Å; A185-T189 PolarHBondContact O-OG1 3.46Å
186	E	55	Low	58.9	Low	125 Å²	125	74.7 Å²	74.7	58%	0.584	43%	0.431	S	S	*	.	H	α-helix	trans	-67.1	-39	176.7	-67.4	178.3	152.3	0	0	111.4	L182 A188 T189 S190	L182-E186 PolarHBondContact O-N 3.26Å; E186-A188 PolarHBondContact O-N 3.41Å; E186-T189 PolarHBondContact O-N 2.89Å; E186-S190 PolarHBondContact O-N 2.96Å; E186-S190 PolarHBondContact O-OG 2.89Å
187	S	51.5	Low	56.2	Low	73 Å²	73	80.8 Å²	80.8	51%	0.51	45%	0.446	S	S	.	.	H	α-helix	trans	-63.9	-41	176	-58.4	0	0	0	0	112	S183 S190 T191	S183-S187 WeakPolarHBondContact O-CB 3.2Å; S183-S187 PolarHBondContact O-N 3.24Å; S183-S187 VanDerWaalsContact O-N 3.16Å; S183-S187 PolarHBondContact O-OG 2.84Å; S187-S190 PolarHBondContact O-OG 3.43Å; S187-T191 PolarHBondContact O-N 3.4Å; S187-T191 PolarHBondContact O-OG1 3.38Å
188	A	49.1	Very low	53.7	Low	22 Å²	22	85 Å²	85	18%	0.182	48%	0.476	C	S	.	.	H	α-helix	trans	-66.1	-41	174.9	0	0	0	0	0	112.3	S184 A185 E186 T191 I192	S184-A188 PolarHBondContact O-N 2.92Å; A185-A188 PolarHBondContact O-N 2.97Å; E186-A188 PolarHBondContact O-N 3.41Å; A188-T191 PolarHBondContact O-N 2.95Å; A188-I192 WeakPolarHBondContact O-CG1 3.47Å; A188-I192 PolarHBondContact O-N 2.88Å
189	T	48.2	Very low	51.3	Low	69 Å²	69	91 Å²	91	42%	0.423	51%	0.512	S	S	.	.	H	α-helix	trans	-67.9	-40.2	-179.4	-53.3	0	0	0	0	112	A185 E186 T191 I192 L193	A185-T189 WeakPolarHBondContact O-CB 3.27Å; A185-T189 PolarHBondContact O-N 3.45Å; A185-T189 PolarHBondContact O-OG1 3.46Å; E186-T189 PolarHBondContact O-N 2.89Å; T189-T191 VanDerWaalsContact C-N 3.29Å; T189-T191 PolarHBondContact O-N 3.44Å; T189-I192 PolarHBondContact O-N 2.86Å; T189-L193 HydrophobicContact CG2-CD1 4.37Å; T189-L193 PolarHBondContact O-N 2.87Å
190	S	43.8	Very low	49.2	Very low	72 Å²	72	90.5 Å²	90.5	50%	0.503	52%	0.522	S	S	.	.	H	α-helix	trans	-64.4	-32.3	176.1	65.9	0	0	0	0	113	E186 S187	E186-S190 PolarHBondContact O-N 2.96Å; E186-S190 PolarHBondContact O-OG 2.89Å; S187-S190 PolarHBondContact O-OG 3.43Å
191	T	42.1	Very low	47.4	Very low	94 Å²	94	96.6 Å²	96.6	58%	0.577	54%	0.544	S	S	*	.	H	α-helix	trans	-71.5	-38.6	177.4	-53	0	0	0	0	111.4	S187 A188 T189 S194	S187-T191 PolarHBondContact O-N 3.4Å; S187-T191 PolarHBondContact O-OG1 3.38Å; A188-T191 PolarHBondContact O-N 2.95Å; T189-T191 VanDerWaalsContact C-N 3.29Å; T189-T191 PolarHBondContact O-N 3.44Å; T191-S194 PolarHBondContact O-N 3.3Å; T191-S194 PolarHBondContact O-OG 3.49Å
192	I	44	Very low	45.5	Very low	123 Å²	123	103.6 Å²	103.6	63%	0.631	58%	0.581	S	S	*	*	H	α-helix	trans	-69.5	-34.7	178.6	-64.1	171.2	0	0	0	111.8	A188 T189 S194 N195	A188-I192 WeakPolarHBondContact O-CG1 3.47Å; A188-I192 PolarHBondContact O-N 2.88Å; T189-I192 PolarHBondContact O-N 2.86Å; I192-S194 PolarHBondContact O-N 2.91Å; I192-N195 PolarHBondContact O-N 3.42Å
193	L	42.4	Very low	44.2	Very low	145 Å²	145	113.2 Å²	113.2	76%	0.759	62%	0.615	S	S	*	*	H	α-helix	trans	-68.9	-15.5	175.9	-76.9	164.9	0	0	0	113.8	T189	T189-L193 HydrophobicContact CG2-CD1 4.37Å; T189-L193 PolarHBondContact O-N 2.87Å
194	S	40.2	Very low	43.2	Very low	88 Å²	88	114.1 Å²	114.1	62%	0.615	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.4	-2.3	-178.7	67.5	0	0	0	0	114.8	T191 I192	T191-S194 PolarHBondContact O-N 3.3Å; T191-S194 PolarHBondContact O-OG 3.49Å; I192-S194 PolarHBondContact O-N 2.91Å
195	N	36.7	Very low	42.2	Very low	134 Å²	134	120.6 Å²	120.6	72%	0.717	66%	0.658	S	S	*	*			trans	-142.2	88	-175.1	-149.7	17.4	0	0	0	113.2	I192 Y197	I192-N195 PolarHBondContact O-N 3.42Å; N195-Y197 PolarHBondContact O-N 3.22Å
196	P	34.4	Very low	41.7	Very low	101 Å²	101	125.2 Å²	125.2	66%	0.656	69%	0.686	S	S	*	*			trans	-87.2	108.7	175.1	16.1	0.3	0	0	0	110.8
197	Y	37.2	Very low	41.1	Very low	208 Å²	208	124.9 Å²	124.9	82%	0.816	70%	0.695	S	S	*	*			trans	71.5	130.9	159.9	-61.9	-84.9	0	0	0	120.5	N195	N195-Y197 PolarHBondContact O-N 3.22Å
198	P	37.8	Very low	40.6	Very low	119 Å²	119	127.3 Å²	127.3	77%	0.773	71%	0.706	S	S	*	*			trans	-97	121.3	133.1	15.3	2.6	0	0	0	109.6	L200	P198-L200 PolarHBondContact O-N 2.94Å
199	V	35.8	Very low	40.5	Very low	127 Å²	127	133.7 Å²	133.7	77%	0.77	74%	0.737	S	S	*	*			trans	-58.1	122	171.1	175.3	0	0	0	0	109.6
200	L	41.2	Very low	40.2	Very low	170 Å²	170	135.7 Å²	135.7	89%	0.89	75%	0.752	S	S	*	*			trans	-122.9	126.3	165.1	-93.2	166.4	0	0	0	110.2	P198	P198-L200 PolarHBondContact O-N 2.94Å
201	Q	42.3	Very low	40	Very low	184 Å²	184	136.8 Å²	136.8	86%	0.86	77%	0.765	S	S	*	*			trans	-74.5	143.8	-171.2	-73.4	167.9	-24.9	0	0	112.7
202	D	34.1	Very low	39.9	Very low	150 Å²	150	138.5 Å²	138.5	80%	0.802	78%	0.777	S	S	*	*			trans	-36.5	129.6	166.5	-177.6	20.4	0	0	0	115.5
203	R	40.6	Very low	39.6	Very low	248 Å²	248	137.4 Å²	137.4	94%	0.936	78%	0.781	S	S	*	*			trans	-167.8	99.9	143.6	-109.8	172.8	-179.1	174.2	1.2	112.5
204	G	38.2	Very low	39.4	Very low	76 Å²	76	139.7 Å²	139.7	78%	0.784	79%	0.788	S	S	*	*			trans	80.2	110.3	132.7	0	0	0	0	0	119.6
205	Q	37.5	Very low	39.2	Very low	184 Å²	184	138.7 Å²	138.7	86%	0.86	79%	0.791	S	S	*	*			trans	-121.2	144.3	157.4	-167.4	144.3	-39	0	0	108
206	P	42.9	Very low	39.4	Very low	117 Å²	117	139.7 Å²	139.7	76%	0.76	80%	0.797	S	S	*	*				-159	-167.2	104.3	38.9	-17.3	0	0	0	113.8
207	P	42.2	Very low	39.4	Very low	119 Å²	119	141.1 Å²	141.1	77%	0.773	80%	0.804	S	S	*	*				-126.8	177.8	-54.2	34.7	-17	0	0	0	113.7
208	V	42.2	Very low	39.1	Very low	123 Å²	123	136.5 Å²	136.5	75%	0.745	80%	0.797	S	S	*	*			trans	-70.7	154.1	179.3	176.5	0	0	0	0	113.1
209	D	46.8	Very low	38.9	Very low	156 Å²	156	137.6 Å²	137.6	83%	0.834	80%	0.802	S	S	*	*			trans	-164.9	163.6	145.2	-100.2	-15.4	0	0	0	113.6
210	P	41.3	Very low	38.6	Very low	112 Å²	112	137.4 Å²	137.4	73%	0.727	80%	0.801	S	S	*	*				-113.2	175.4	-129.8	40.7	-32.5	0	0	0	116.7
211	A	39.3	Very low	38.2	Very low	94 Å²	94	134.2 Å²	134.2	78%	0.777	80%	0.799	S	S	*	*			trans	-77.8	165	179.1	0	0	0	0	0	114.6
212	P	41.7	Very low	38	Very low	130 Å²	130	127.9 Å²	127.9	84%	0.844	78%	0.783	S	S	*	*			trans	-128.3	172	150.4	31.6	-13.8	0	0	0	114.5
213	S	37.3	Very low	38.2	Very low	101 Å²	101	125.6 Å²	125.6	71%	0.706	78%	0.779	S	S	*	*			trans	-105	177.5	-149.8	46.3	0	0	0	0	116.1
214	E	38.3	Very low	38.2	Very low	192 Å²	192	121.9 Å²	121.9	90%	0.897	77%	0.772	S	S	*	*			trans	89.2	131.8	153.3	-51.8	-163.6	159.7	0	0	120.3
215	G	34.8	Very low	38.7	Very low	67 Å²	67	122.2 Å²	122.2	69%	0.691	76%	0.762	S	S	*	*			trans	150.3	79.8	151.3	0	0	0	0	0	118.2
216	N	40.9	Very low	39.1	Very low	155 Å²	155	117.5 Å²	117.5	83%	0.829	75%	0.746	S	S	*	*			trans	90.4	106.1	132.2	-61	-12.6	0	0	0	123.3
217	T	35.8	Very low	39.1	Very low	131 Å²	131	118.2 Å²	118.2	80%	0.804	74%	0.739	S	S	*	*				82.2	117.4	115.5	-34	0	0	0	0	121.5
218	V	30.9	Very low	39.3	Very low	111 Å²	111	118.5 Å²	118.5	67%	0.673	73%	0.73	S	S	*	*			trans	-61.3	144.2	172.3	173.5	0	0	0	0	113.4	T220	V218-T220 WeakPolarHBondContact CG1-OG1 3.38Å
219	T	33	Very low	39.4	Very low	142 Å²	142	118.5 Å²	118.5	87%	0.871	72%	0.722	S	S	*	*			trans	-141.3	121.3	144.7	-49.4	0	0	0	0	110.2
220	T	28.8	Very low	39.6	Very low	124 Å²	124	115.5 Å²	115.5	76%	0.761	71%	0.705	S	S	*	*			trans	-100.1	106.1	-170.6	-31.8	0	0	0	0	109	V218	V218-T220 WeakPolarHBondContact CG1-OG1 3.38Å
221	A	32.7	Very low	40.1	Very low	102 Å²	102	117.5 Å²	117.5	84%	0.843	70%	0.698	S	S	*	*			trans	-160.1	99.7	168.1	0	0	0	0	0	109.9
222	G	38	Very low	40.8	Very low	51 Å²	51	117.5 Å²	117.5	53%	0.526	69%	0.685	S	S	.	*			trans	167.4	-7.8	174.2	0	0	0	0	0	117.7	Q224	G222-Q224 VanDerWaalsContact C-N 3.27Å; G222-Q224 PolarHBondContact O-N 3.31Å; G222-Q224 VanDerWaalsContact O-N 3.15Å
223	S	39.5	Very low	41.5	Very low	102 Å²	102	120.2 Å²	120.2	71%	0.713	68%	0.679	S	S	*	*	H	α-helix	trans	-67	-17.2	-170	55.2	0	0	0	0	115.7
224	Q	41	Very low	42.3	Very low	170 Å²	170	121.8 Å²	121.8	79%	0.794	68%	0.678	S	S	*	*	H	α-helix	trans	-87.6	-16.1	-174.6	-67.4	-176.1	-11.2	0	0	114.7	G222	G222-Q224 VanDerWaalsContact C-N 3.27Å; G222-Q224 PolarHBondContact O-N 3.31Å; G222-Q224 VanDerWaalsContact O-N 3.15Å
225	S	47.8	Very low	42.9	Very low	83 Å²	83	117.3 Å²	117.3	58%	0.58	66%	0.66	S	S	*	*	H	α-helix	trans	-84.1	-28.1	-177	179.4	0	0	0	0	113.3
226	V	46.8	Very low	43.3	Very low	85 Å²	85	116 Å²	116	52%	0.515	65%	0.646	S	S	.	*	H	α-helix	trans	-84.4	-34.3	-168.1	-175.9	0	0	0	0	112.5	Q228 H229 L230	V226-Q228 VanDerWaalsContact C-N 3.25Å; V226-Q228 PolarHBondContact O-N 2.79Å; V226-H229 PolarHBondContact O-N 3.25Å; V226-L230 PolarHBondContact O-N 2.97Å
227	E	42	Very low	43.6	Very low	132 Å²	132	112.2 Å²	112.2	62%	0.617	63%	0.633	S	S	*	*	H	α-helix	trans	-59.9	-39.3	173.1	-169.1	-176.9	157.7	0	0	111.1	H229 R231	E227-H229 VanDerWaalsContact C-N 3.34Å; E227-H229 PolarHBondContact O-N 3.33Å; E227-R231 WeakPolarHBondContact O-CB 3.24Å; E227-R231 PolarHBondContact O-N 2.97Å; E227-R231 VanDerWaalsContact O-N 3.07Å; E227-R231 IonicContact OE1-NH1 2.76Å
228	Q	46.3	Very low	44	Very low	125 Å²	125	115.9 Å²	115.9	58%	0.584	63%	0.632	S	S	*	*	H	α-helix	trans	-63	-39.3	178.2	-153.1	110.4	-4.6	0	0	111.9	V226 N232	V226-Q228 VanDerWaalsContact C-N 3.25Å; V226-Q228 PolarHBondContact O-N 2.79Å; Q228-N232 VanDerWaalsContact O-CB 3.31Å; Q228-N232 WeakPolarHBondContact O-CB 3.12Å; Q228-N232 PolarHBondContact O-N 3.47Å; Q228-N232 PolarHBondContact O-ND2 2.83Å; Q228-N232 PolarHBondContact O-OD1 3.04Å
229	H	45	Very low	44.6	Very low	124 Å²	124	114.8 Å²	114.8	57%	0.574	63%	0.634	S	S	*	*	H	α-helix	trans	-71.4	-39.1	-175.9	-113.9	72.3	0	0	0	113.4	V226 E227 R233	V226-H229 PolarHBondContact O-N 3.25Å; E227-H229 VanDerWaalsContact C-N 3.34Å; E227-H229 PolarHBondContact O-N 3.33Å; H229-R233 WeakPolarHBondContact O-CG 3.48Å; H229-R233 PolarHBondContact O-N 3.08Å
230	L	50.3	Low	45.2	Very low	93 Å²	93	116.3 Å²	116.3	49%	0.487	63%	0.631	S	S	.	*	H	α-helix	trans	-76.1	-36.6	176.1	-72.3	170.5	0	0	0	112	V226 N232 R233 L234	V226-L230 PolarHBondContact O-N 2.97Å; L230-N232 VanDerWaalsContact C-N 3.32Å; L230-N232 PolarHBondContact O-N 2.75Å; L230-R233 PolarHBondContact O-N 3.02Å; L230-L234 WeakPolarHBondContact O-CG 3.46Å; L230-L234 PolarHBondContact O-N 3.21Å
231	R	51.7	Low	45.8	Very low	153 Å²	153	120.1 Å²	120.1	58%	0.577	63%	0.632	S	S	*	*	H	α-helix	trans	-60.4	-42.4	172.5	-162	176.3	-165.6	155.8	-0.4	111	E227 R233 L234 L235	E227-R231 WeakPolarHBondContact O-CB 3.24Å; E227-R231 PolarHBondContact O-N 2.97Å; E227-R231 VanDerWaalsContact O-N 3.07Å; E227-R231 IonicContact OE1-NH1 2.76Å; R231-R233 PolarHBondContact O-N 2.63Å; R231-L234 PolarHBondContact O-N 3.43Å; R231-L235 HydrophobicContact CG-CD1 3.72Å; R231-L235 HydrophobicContact CG-CG 4.39Å; R231-L235 WeakPolarHBondContact O-CB 3.32Å; R231-L235 WeakPolarHBondContact O-CG 2.75Å; R231-L235 PolarHBondContact O-N 3.36Å
232	N	53.9	Low	45.9	Very low	95 Å²	95	118 Å²	118	51%	0.508	62%	0.621	S	S	.	*	H	α-helix	trans	-67.7	-33.4	176.5	-70.3	-12.5	0	0	0	112.9	Q228 L230 G236	Q228-N232 VanDerWaalsContact O-CB 3.31Å; Q228-N232 WeakPolarHBondContact O-CB 3.12Å; Q228-N232 PolarHBondContact O-N 3.47Å; Q228-N232 PolarHBondContact O-ND2 2.83Å; Q228-N232 PolarHBondContact O-OD1 3.04Å; L230-N232 VanDerWaalsContact C-N 3.32Å; L230-N232 PolarHBondContact O-N 2.75Å; N232-G236 WeakPolarHBondContact O-CA 3.4Å; N232-G236 PolarHBondContact O-N 2.85Å
233	R	57.9	Low	45.7	Very low	186 Å²	186	124.8 Å²	124.8	70%	0.702	64%	0.638	S	S	*	*	H	α-helix	trans	-72.8	-38	176.3	-78.4	-173	176.8	-170.4	0.7	113.6	H229 L230 R231	H229-R233 WeakPolarHBondContact O-CG 3.48Å; H229-R233 PolarHBondContact O-N 3.08Å; L230-R233 PolarHBondContact O-N 3.02Å; R231-R233 PolarHBondContact O-N 2.63Å
234	L	52.9	Low	45.7	Very low	134 Å²	134	125.6 Å²	125.6	70%	0.702	64%	0.639	S	S	*	*	H	α-helix	trans	-79.2	-32	178.4	-65.8	173.6	0	0	0	112.4	L230 R231	L230-L234 WeakPolarHBondContact O-CG 3.46Å; L230-L234 PolarHBondContact O-N 3.21Å; R231-L234 PolarHBondContact O-N 3.43Å
235	L	50.1	Low	45.3	Very low	98 Å²	98	121 Å²	121	51%	0.513	64%	0.637	S	S	.	*	H	α-helix	trans	-81.6	-31.7	175.8	-65.7	176.6	0	0	0	113.2	R231 S237 R238	R231-L235 HydrophobicContact CG-CD1 3.72Å; R231-L235 HydrophobicContact CG-CG 4.39Å; R231-L235 WeakPolarHBondContact O-CB 3.32Å; R231-L235 WeakPolarHBondContact O-CG 2.75Å; R231-L235 PolarHBondContact O-N 3.36Å; L235-S237 PolarHBondContact O-N 2.95Å; L235-R238 WeakPolarHBondContact O-CB 3.44Å; L235-R238 PolarHBondContact O-N 3.47Å
236	G	43.7	Very low	44.7	Very low	39 Å²	39	123.9 Å²	123.9	40%	0.402	65%	0.645	S	S	.	*	H	α-helix	trans	-59.9	-32.8	177.8	0	0	0	0	0	113.5	N232 R238 A239	N232-G236 WeakPolarHBondContact O-CA 3.4Å; N232-G236 PolarHBondContact O-N 2.85Å; G236-R238 PolarHBondContact O-N 3Å; G236-A239 PolarHBondContact O-N 2.63Å
237	S	46.9	Very low	44.2	Very low	77 Å²	77	124.8 Å²	124.8	54%	0.538	66%	0.655	S	S	.	*	H	α-helix	trans	-72.1	-8.1	176.7	-161.8	0	0	0	0	114.2	L235	L235-S237 PolarHBondContact O-N 2.95Å
238	R	44.7	Very low	44.1	Very low	207 Å²	207	127.9 Å²	127.9	78%	0.781	66%	0.662	S	S	*	*	H	α-helix	trans	-97.3	-20.2	178.4	-165.4	170.7	176.3	147.5	-1.4	113.2	L235 G236	L235-R238 WeakPolarHBondContact O-CB 3.44Å; L235-R238 PolarHBondContact O-N 3.47Å; G236-R238 PolarHBondContact O-N 3Å
239	A	43.6	Very low	43.8	Very low	88 Å²	88	126 Å²	126	73%	0.727	66%	0.662	S	S	*	*	H	α-helix	trans	-86.6	-18.1	-176	0	0	0	0	0	114.5	G236	G236-A239 PolarHBondContact O-N 2.63Å
240	E	45.7	Very low	44.1	Very low	174 Å²	174	125.4 Å²	125.4	81%	0.813	67%	0.668	S	S	*	*	S	Bend	trans	-91.5	1.3	-177.9	-68.2	-177.7	140.6	0	0	114.6	G242	E240-G242 PolarHBondContact O-N 2.84Å
241	R	41.3	Very low	44.2	Very low	204 Å²	204	124.4 Å²	124.4	77%	0.77	67%	0.669	S	S	*	*			trans	-91.2	37.5	177.6	-86.9	-176	-86.8	176.3	-8.2	113.8
242	G	35.2	Very low	44.4	Very low	59 Å²	59	118.3 Å²	118.3	61%	0.608	65%	0.653	S	S	*	*			trans	-81.1	108.7	167.4	0	0	0	0	0	111.4	E240	E240-G242 PolarHBondContact O-N 2.84Å
243	H	32.5	Very low	45	Very low	192 Å²	192	122.2 Å²	122.2	89%	0.889	66%	0.661	S	S	*	*			trans	46.9	79.1	145.6	-144.3	54.6	0	0	0	117.8
244	V	41.5	Very low	45.6	Very low	120 Å²	120	117.9 Å²	117.9	73%	0.727	66%	0.655	S	S	*	*			trans	-129.4	92.5	156.4	-174.4	0	0	0	0	108.1	L246	V244-L246 HydrophobicContact CG1-CB 4.35Å; V244-L246 HydrophobicContact CG1-CD1 3.75Å; V244-L246 HydrophobicContact CG1-CG 4.29Å
245	G	31.4	Very low	46.7	Very low	73 Å²	73	117.7 Å²	117.7	75%	0.753	65%	0.651	S	S	*	*			trans	-80.2	115.7	162	0	0	0	0	0	107.8
246	L	35.5	Very low	48	Very low	144 Å²	144	121.3 Å²	121.3	75%	0.754	66%	0.658	S	S	*	*			trans	-145.8	125.2	171.3	-96.6	162.5	0	0	0	110.1	V244	V244-L246 HydrophobicContact CG1-CB 4.35Å; V244-L246 HydrophobicContact CG1-CD1 3.75Å; V244-L246 HydrophobicContact CG1-CG 4.29Å
247	S	37.1	Very low	49.8	Very low	103 Å²	103	123.6 Å²	123.6	72%	0.72	66%	0.66	S	S	*	*			trans	-27.8	129	168.9	51.2	0	0	0	0	115	S249	S247-S249 PolarHBondContact O-N 3.13Å
248	Y	38.1	Very low	51.5	Low	198 Å²	198	122.4 Å²	122.4	78%	0.776	66%	0.655	S	S	*	*			trans	-68.9	96.5	170.7	-160.9	-95	0	0	0	109.5
249	S	41.6	Very low	53.6	Low	84 Å²	84	117 Å²	117	59%	0.587	64%	0.64	S	S	*	*			trans	-76.4	120	167.7	178.9	0	0	0	0	109	S247 S251	S247-S249 PolarHBondContact O-N 3.13Å; S249-S251 PolarHBondContact O-N 3.39Å; S249-S251 VanDerWaalsContact O-N 3.08Å
250	T	50.4	Low	55.5	Low	112 Å²	112	117.7 Å²	117.7	69%	0.687	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.2	-10.4	177.2	45	0	0	0	0	113.7	G252	T250-G252 VanDerWaalsContact C-N 3.33Å; T250-G252 PolarHBondContact O-N 2.94Å
251	S	52.9	Low	57.6	Low	73 Å²	73	114.8 Å²	114.8	51%	0.51	62%	0.621	S	S	.	*	H	α-helix	trans	-65.1	-27.6	-176.8	-163.3	0	0	0	0	114.6	S249 R253 T254	S249-S251 PolarHBondContact O-N 3.39Å; S249-S251 VanDerWaalsContact O-N 3.08Å; S251-R253 PolarHBondContact O-N 3.26Å; S251-T254 PolarHBondContact O-OG1 3.48Å
252	G	55.4	Low	60	Low	24 Å²	24	108.5 Å²	108.5	25%	0.247	61%	0.605	C	S	.	*	H	α-helix	trans	-80.2	-11	-175.3	0	0	0	0	0	115.1	T250 R256	T250-G252 VanDerWaalsContact C-N 3.33Å; T250-G252 PolarHBondContact O-N 2.94Å; G252-R256 PolarHBondContact O-NE 3.25Å
253	R	67.5	Low	62.8	Low	177 Å²	177	110.3 Å²	110.3	67%	0.668	60%	0.6	S	S	*	*	H	α-helix	trans	-83	-41.1	178.9	-163.3	177.1	-154.1	166	6.1	111.4	S251 E255 I257	S251-R253 PolarHBondContact O-N 3.26Å; R253-E255 VanDerWaalsContact C-N 3.31Å; R253-E255 PolarHBondContact O-N 2.86Å; R253-I257 HydrophobicContact CG-CD1 4.27Å; R253-I257 VanDerWaalsContact O-CG1 3.32Å; R253-I257 WeakPolarHBondContact O-CG1 3.19Å; R253-I257 PolarHBondContact O-N 3.42Å
254	T	70.5	Confident	65.6	Low	95 Å²	95	103.7 Å²	103.7	58%	0.583	58%	0.579	S	S	*	*	H	α-helix	trans	-64.4	-36.7	176.4	39.5	0	0	0	0	111.9	S251 I257 A258	S251-T254 PolarHBondContact O-OG1 3.48Å; T254-I257 PolarHBondContact O-N 3Å; T254-A258 WeakPolarHBondContact O-CB 3.25Å; T254-A258 PolarHBondContact O-N 3.14Å
255	E	74.3	Confident	68.2	Low	131 Å²	131	104.4 Å²	104.4	61%	0.612	57%	0.572	S	S	*	*	H	α-helix	trans	-68.2	-41.7	-179.7	-148.3	176.6	-174.9	0	0	112.3	R253 A258 I259	R253-E255 VanDerWaalsContact C-N 3.31Å; R253-E255 PolarHBondContact O-N 2.86Å; E255-A258 PolarHBondContact O-N 2.94Å; E255-I259 WeakPolarHBondContact O-CG1 3.26Å; E255-I259 PolarHBondContact O-N 2.9Å
256	R	78.9	Confident	71.3	Confident	173 Å²	173	106.8 Å²	106.8	65%	0.653	56%	0.562	S	S	*	*	H	α-helix	trans	-63.2	-44.4	174.3	-77.6	-177.6	-106	-99.8	1.7	112.4	G252 A258 I259 D260	G252-R256 PolarHBondContact O-NE 3.25Å; R256-A258 VanDerWaalsContact C-N 3.3Å; R256-A258 PolarHBondContact O-N 2.93Å; R256-I259 PolarHBondContact O-N 2.92Å; R256-D260 PolarHBondContact O-N 2.86Å
257	I	81.1	Confident	74.1	Confident	88 Å²	88	105 Å²	105	45%	0.451	55%	0.552	S	S	.	*	H	α-helix	trans	-61.8	-40.2	177.4	-66.3	166.9	0	0	0	110.8	R253 T254 D260 I261	R253-I257 HydrophobicContact CG-CD1 4.27Å; R253-I257 VanDerWaalsContact O-CG1 3.32Å; R253-I257 WeakPolarHBondContact O-CG1 3.19Å; R253-I257 PolarHBondContact O-N 3.42Å; T254-I257 PolarHBondContact O-N 3Å; I257-D260 PolarHBondContact O-N 2.81Å; I257-I261 HydrophobicContact CG2-CD1 3.74Å; I257-I261 HydrophobicContact CG2-CG1 4.39Å; I257-I261 WeakPolarHBondContact O-CB 3.21Å; I257-I261 VanDerWaalsContact O-CG1 3.26Å; I257-I261 WeakPolarHBondContact O-CG1 3.25Å; I257-I261 PolarHBondContact O-N 2.77Å
258	A	83.3	Confident	76.9	Confident	52 Å²	52	104.5 Å²	104.5	43%	0.43	55%	0.545	S	S	.	.	H	α-helix	trans	-64.2	-41.1	176.7	0	0	0	0	0	112.2	T254 E255 R256 T262	T254-A258 WeakPolarHBondContact O-CB 3.25Å; T254-A258 PolarHBondContact O-N 3.14Å; E255-A258 PolarHBondContact O-N 2.94Å; R256-A258 VanDerWaalsContact C-N 3.3Å; R256-A258 PolarHBondContact O-N 2.93Å; A258-T262 WeakPolarHBondContact O-CB 3.46Å; A258-T262 PolarHBondContact O-N 2.99Å; A258-T262 PolarHBondContact O-OG1 2.76Å
259	I	86.9	Confident	79.7	Confident	93 Å²	93	98.8 Å²	98.8	48%	0.477	53%	0.527	S	S	.	.	H	α-helix	trans	-63.6	-45.5	176.1	-67.6	165.5	0	0	0	110.8	E255 R256 I261 T262 L263	E255-I259 WeakPolarHBondContact O-CG1 3.26Å; E255-I259 PolarHBondContact O-N 2.9Å; R256-I259 PolarHBondContact O-N 2.92Å; I259-I261 PolarHBondContact O-N 3.27Å; I259-T262 PolarHBondContact O-N 3.19Å; I259-L263 HydrophobicContact CG2-CD1 3.99Å; I259-L263 WeakPolarHBondContact O-CB 3.39Å; I259-L263 PolarHBondContact O-N 2.92Å
260	D	84.6	Confident	82.3	Confident	103 Å²	103	100.1 Å²	100.1	55%	0.551	53%	0.527	S	S	*	.	H	α-helix	trans	-63.7	-42.7	-179.7	-69.6	-27.1	0	0	0	111.9	R256 I257 T262 L263 A264	R256-D260 PolarHBondContact O-N 2.86Å; I257-D260 PolarHBondContact O-N 2.81Å; D260-T262 VanDerWaalsContact C-N 3.34Å; D260-T262 PolarHBondContact O-N 2.83Å; D260-L263 PolarHBondContact O-N 3.09Å; D260-A264 WeakPolarHBondContact O-CB 3.33Å; D260-A264 PolarHBondContact O-N 2.84Å
261	I	90.4	Very high	84.5	Confident	113 Å²	113	98.5 Å²	98.5	58%	0.579	52%	0.517	S	S	*	.	H	α-helix	trans	-63.8	-41.3	175.5	-68.4	170.1	0	0	0	110.8	I257 I259 A264 F265	I257-I261 HydrophobicContact CG2-CD1 3.74Å; I257-I261 HydrophobicContact CG2-CG1 4.39Å; I257-I261 WeakPolarHBondContact O-CB 3.21Å; I257-I261 VanDerWaalsContact O-CG1 3.26Å; I257-I261 WeakPolarHBondContact O-CG1 3.25Å; I257-I261 PolarHBondContact O-N 2.77Å; I259-I261 PolarHBondContact O-N 3.27Å; I261-A264 PolarHBondContact O-N 2.89Å; I261-F265 PolarHBondContact O-N 3.31Å
262	T	91.8	Very high	86.5	Confident	72 Å²	72	99 Å²	99	44%	0.442	52%	0.517	S	S	.	.	H	α-helix	trans	-65.7	-45.1	179.4	-55.9	0	0	0	0	111	A258 I259 D260 A264 F265 F266	A258-T262 WeakPolarHBondContact O-CB 3.46Å; A258-T262 PolarHBondContact O-N 2.99Å; A258-T262 PolarHBondContact O-OG1 2.76Å; I259-T262 PolarHBondContact O-N 3.19Å; D260-T262 VanDerWaalsContact C-N 3.34Å; D260-T262 PolarHBondContact O-N 2.83Å; T262-A264 PolarHBondContact O-N 2.49Å; T262-F265 PolarHBondContact O-N 3.18Å; T262-F266 HydrophobicContact CG2-CD2 3.82Å; T262-F266 HydrophobicContact CG2-CE2 3.61Å; T262-F266 WeakPolarHBondContact O-CD2 3.45Å; T262-F266 PolarHBondContact O-N 3.21Å
263	L	92.7	Very high	88.4	Confident	96 Å²	96	102.4 Å²	102.4	50%	0.503	53%	0.529	S	S	.	.	H	α-helix	trans	-60.3	-44.3	174.8	-85.7	166.6	0	0	0	111.8	I259 D260 F265 F266 I267	I259-L263 HydrophobicContact CG2-CD1 3.99Å; I259-L263 WeakPolarHBondContact O-CB 3.39Å; I259-L263 PolarHBondContact O-N 2.92Å; D260-L263 PolarHBondContact O-N 3.09Å; L263-F265 VanDerWaalsContact C-N 3.35Å; L263-F265 PolarHBondContact O-N 3.33Å; L263-F266 PolarHBondContact O-N 3.15Å; L263-I267 VanDerWaalsContact O-CG1 3.29Å; L263-I267 WeakPolarHBondContact O-CG1 3.45Å; L263-I267 PolarHBondContact O-N 2.93Å
264	A	92.7	Very high	89.8	Confident	53 Å²	53	97.7 Å²	97.7	44%	0.438	52%	0.519	S	S	.	.	H	α-helix	trans	-60.4	-43	176.5	0	0	0	0	0	112.1	D260 I261 T262 I267 V268	D260-A264 WeakPolarHBondContact O-CB 3.33Å; D260-A264 PolarHBondContact O-N 2.84Å; I261-A264 PolarHBondContact O-N 2.89Å; T262-A264 PolarHBondContact O-N 2.49Å; A264-I267 PolarHBondContact O-N 3.4Å; A264-V268 WeakPolarHBondContact O-CG2 3.35Å; A264-V268 PolarHBondContact O-N 3.33Å
265	F	95.7	Very high	90.8	Very high	135 Å²	135	98.2 Å²	98.2	59%	0.592	52%	0.518	S	S	*	.	H	α-helix	trans	-61.1	-45.1	176.1	-177.7	-94.2	0	0	0	112.2	I261 T262 L263 V268 L269	I261-F265 PolarHBondContact O-N 3.31Å; T262-F265 PolarHBondContact O-N 3.18Å; L263-F265 VanDerWaalsContact C-N 3.35Å; L263-F265 PolarHBondContact O-N 3.33Å; F265-V268 PolarHBondContact O-N 3.31Å; F265-L269 WeakPolarHBondContact O-CB 3.43Å; F265-L269 PolarHBondContact O-N 3.23Å
266	F	95.6	Very high	91.7	Very high	123 Å²	123	100.3 Å²	100.3	54%	0.539	52%	0.52	S	S	.	.	H	α-helix	trans	-65.3	-38.6	177.3	-82.2	-69.6	0	0	0	112.7	T262 L263 L269 L270	T262-F266 HydrophobicContact CG2-CD2 3.82Å; T262-F266 HydrophobicContact CG2-CE2 3.61Å; T262-F266 WeakPolarHBondContact O-CD2 3.45Å; T262-F266 PolarHBondContact O-N 3.21Å; L263-F266 PolarHBondContact O-N 3.15Å; F266-L269 PolarHBondContact O-N 2.95Å; F266-L270 WeakPolarHBondContact O-CB 3.29Å; F266-L270 PolarHBondContact O-N 3.09Å
267	I	95.4	Very high	92.4	Very high	107 Å²	107	100.5 Å²	100.5	55%	0.549	52%	0.521	S	S	.	.	H	α-helix	trans	-62.2	-46.6	175.6	-69.4	166.2	0	0	0	110.3	L263 A264 L270 V271	L263-I267 VanDerWaalsContact O-CG1 3.29Å; L263-I267 WeakPolarHBondContact O-CG1 3.45Å; L263-I267 PolarHBondContact O-N 2.93Å; A264-I267 PolarHBondContact O-N 3.4Å; I267-L270 PolarHBondContact O-N 3.45Å; I267-V271 WeakPolarHBondContact O-CG2 3.49Å; I267-V271 PolarHBondContact O-N 3.44Å
268	V	95.6	Very high	92.8	Very high	93 Å²	93	100 Å²	100	56%	0.564	52%	0.521	S	S	*	.	H	α-helix	trans	-62.3	-44.5	177.3	173.3	0	0	0	0	111.1	A264 F265 L270 V271 V272	A264-V268 WeakPolarHBondContact O-CG2 3.35Å; A264-V268 PolarHBondContact O-N 3.33Å; F265-V268 PolarHBondContact O-N 3.31Å; V268-L270 VanDerWaalsContact C-N 3.33Å; V268-L270 PolarHBondContact O-N 3.17Å; V268-V271 PolarHBondContact O-N 3.33Å; V268-V272 WeakPolarHBondContact O-CG2 3.42Å; V268-V272 PolarHBondContact O-N 3Å
269	L	96.4	Very high	93.1	Very high	78 Å²	78	104.6 Å²	104.6	41%	0.408	53%	0.529	S	S	.	.	H	α-helix	trans	-58.6	-44.8	175.8	-168.1	91.3	0	0	0	111.4	F265 F266 V272 L273	F265-L269 WeakPolarHBondContact O-CB 3.43Å; F265-L269 PolarHBondContact O-N 3.23Å; F266-L269 PolarHBondContact O-N 2.95Å; L269-V272 PolarHBondContact O-N 3.4Å; L269-L273 HydrophobicContact CD2-CD1 4.28Å; L269-L273 HydrophobicContact CG-CD1 4.32Å; L269-L273 VanDerWaalsContact O-CG 3.28Å; L269-L273 WeakPolarHBondContact O-CG 3.46Å; L269-L273 PolarHBondContact O-N 2.93Å
270	L	96.6	Very high	93.1	Very high	112 Å²	112	103.5 Å²	103.5	59%	0.586	53%	0.526	S	S	*	.	H	α-helix	trans	-64.1	-43.4	179.8	-153.6	166.5	0	0	0	110.8	F266 I267 V268 V272 L273 V274	F266-L270 WeakPolarHBondContact O-CB 3.29Å; F266-L270 PolarHBondContact O-N 3.09Å; I267-L270 PolarHBondContact O-N 3.45Å; V268-L270 VanDerWaalsContact C-N 3.33Å; V268-L270 PolarHBondContact O-N 3.17Å; L270-V272 PolarHBondContact O-N 3.25Å; L270-L273 PolarHBondContact O-N 3.26Å; L270-V274 HydrophobicContact CD2-CG2 3.82Å; L270-V274 WeakPolarHBondContact O-CG2 3.5Å; L270-V274 PolarHBondContact O-N 3.11Å
271	V	95.5	Very high	93	Very high	77 Å²	77	104.4 Å²	104.4	47%	0.467	53%	0.527	S	S	.	.	H	α-helix	trans	-59.7	-45.7	173.9	171.7	0	0	0	0	111.2	I267 V268 L273 V274 I275	I267-V271 WeakPolarHBondContact O-CG2 3.49Å; I267-V271 PolarHBondContact O-N 3.44Å; V268-V271 PolarHBondContact O-N 3.33Å; V271-L273 PolarHBondContact O-N 3.2Å; V271-V274 PolarHBondContact O-N 3.2Å; V271-I275 HydrophobicContact CG1-CD1 3.77Å; V271-I275 HydrophobicContact CG1-CG1 4.42Å; V271-I275 VanDerWaalsContact O-CG1 3.31Å; V271-I275 WeakPolarHBondContact O-CG1 3.29Å; V271-I275 PolarHBondContact O-N 2.82Å
272	V	95.4	Very high	92.5	Very high	84 Å²	84	102.7 Å²	102.7	51%	0.509	52%	0.519	S	S	.	.	H	α-helix	trans	-61.8	-41.7	176.7	171.1	0	0	0	0	111.6	V268 L269 L270 I275 R276	V268-V272 WeakPolarHBondContact O-CG2 3.42Å; V268-V272 PolarHBondContact O-N 3Å; L269-V272 PolarHBondContact O-N 3.4Å; L270-V272 PolarHBondContact O-N 3.25Å; V272-I275 PolarHBondContact O-N 3.26Å; V272-R276 VanDerWaalsContact O-CB 3.31Å; V272-R276 WeakPolarHBondContact O-CB 3.3Å; V272-R276 PolarHBondContact O-N 3.38Å
273	L	96.4	Very high	91.6	Very high	96 Å²	96	104.2 Å²	104.2	50%	0.503	52%	0.521	S	S	.	.	H	α-helix	trans	-65.8	-38.7	177.1	-70.6	174.8	0	0	0	112.2	L269 L270 V271 R277	L269-L273 HydrophobicContact CD2-CD1 4.28Å; L269-L273 HydrophobicContact CG-CD1 4.32Å; L269-L273 VanDerWaalsContact O-CG 3.28Å; L269-L273 WeakPolarHBondContact O-CG 3.46Å; L269-L273 PolarHBondContact O-N 2.93Å; L270-L273 PolarHBondContact O-N 3.26Å; V271-L273 PolarHBondContact O-N 3.2Å; L273-R277 VanDerWaalsContact O-CB 3.32Å; L273-R277 WeakPolarHBondContact O-CB 3.31Å; L273-R277 PolarHBondContact O-N 3.44Å
274	V	95	Very high	89.9	Confident	78 Å²	78	108.3 Å²	108.3	47%	0.473	53%	0.53	S	S	.	.	H	α-helix	trans	-65.7	-47.1	174.6	170.4	0	0	0	0	110.6	L270 V271 R276 R277 V278	L270-V274 HydrophobicContact CD2-CG2 3.82Å; L270-V274 WeakPolarHBondContact O-CG2 3.5Å; L270-V274 PolarHBondContact O-N 3.11Å; V271-V274 PolarHBondContact O-N 3.2Å; V274-R276 PolarHBondContact O-N 2.79Å; V274-R277 PolarHBondContact O-N 3.01Å; V274-V278 HydrophobicContact CG1-CG2 4.46Å; V274-V278 WeakPolarHBondContact O-CG2 3.04Å; V274-V278 PolarHBondContact O-N 2.78Å
275	I	93.3	Very high	88.4	Confident	106 Å²	106	115.5 Å²	115.5	54%	0.544	55%	0.546	S	S	.	.	H	α-helix	trans	-59.9	-46.5	176.6	-68.1	168.4	0	0	0	110.3	V271 V272 R277 V278 Y279	V271-I275 HydrophobicContact CG1-CD1 3.77Å; V271-I275 HydrophobicContact CG1-CG1 4.42Å; V271-I275 VanDerWaalsContact O-CG1 3.31Å; V271-I275 WeakPolarHBondContact O-CG1 3.29Å; V271-I275 PolarHBondContact O-N 2.82Å; V272-I275 PolarHBondContact O-N 3.26Å; I275-R277 VanDerWaalsContact C-N 3.32Å; I275-R277 PolarHBondContact O-N 2.85Å; I275-V278 PolarHBondContact O-N 3.14Å; I275-Y279 WeakPolarHBondContact O-CB 3.5Å; I275-Y279 PolarHBondContact O-N 2.8Å
276	R	92.8	Very high	86.7	Confident	174 Å²	174	117.3 Å²	117.3	66%	0.657	55%	0.554	S	S	*	*	H	α-helix	trans	-60	-42.4	176.8	-175.4	179.9	176.8	-175.3	-0.7	111.5	V272 V274 Y279 V280	V272-R276 VanDerWaalsContact O-CB 3.31Å; V272-R276 WeakPolarHBondContact O-CB 3.3Å; V272-R276 PolarHBondContact O-N 3.38Å; V274-R276 PolarHBondContact O-N 2.79Å; R276-Y279 PolarHBondContact O-N 3.18Å; R276-V280 HydrophobicContact CG-CG2 4.35Å; R276-V280 WeakPolarHBondContact O-CB 3.31Å; R276-V280 VanDerWaalsContact O-CG2 3.25Å; R276-V280 WeakPolarHBondContact O-CG2 3.49Å; R276-V280 PolarHBondContact O-N 2.91Å
277	R	92.3	Very high	85.2	Confident	178 Å²	178	119.1 Å²	119.1	67%	0.672	56%	0.564	S	S	*	*	H	α-helix	trans	-64.3	-43.1	177.8	-175.4	174.9	-178.7	167.1	2.8	111.8	L273 V274 I275 Q281	L273-R277 VanDerWaalsContact O-CB 3.32Å; L273-R277 WeakPolarHBondContact O-CB 3.31Å; L273-R277 PolarHBondContact O-N 3.44Å; V274-R277 PolarHBondContact O-N 3.01Å; I275-R277 VanDerWaalsContact C-N 3.32Å; I275-R277 PolarHBondContact O-N 2.85Å; R277-Q281 WeakPolarHBondContact O-CB 3.24Å; R277-Q281 PolarHBondContact O-N 3.32Å
278	V	91.5	Very high	83.2	Confident	76 Å²	76	124.7 Å²	124.7	46%	0.461	59%	0.587	S	S	.	*	H	α-helix	trans	-64.6	-43.1	176.2	172.1	0	0	0	0	110.8	V274 I275 Q281 N282	V274-V278 HydrophobicContact CG1-CG2 4.46Å; V274-V278 WeakPolarHBondContact O-CG2 3.04Å; V274-V278 PolarHBondContact O-N 2.78Å; I275-V278 PolarHBondContact O-N 3.14Å; V278-Q281 PolarHBondContact O-N 2.74Å; V278-N282 WeakPolarHBondContact O-CB 3.4Å; V278-N282 PolarHBondContact O-N 3.27Å
279	Y	88.5	Confident	82.6	Confident	150 Å²	150	126.3 Å²	126.3	59%	0.588	59%	0.588	S	S	*	*	H	α-helix	trans	-64.5	-47.4	179.1	-163.8	-91.6	0	0	0	111.7	I275 R276 Q281 N282 E283	I275-Y279 WeakPolarHBondContact O-CB 3.5Å; I275-Y279 PolarHBondContact O-N 2.8Å; R276-Y279 PolarHBondContact O-N 3.18Å; Y279-Q281 PolarHBondContact O-N 3.46Å; Y279-N282 PolarHBondContact O-N 2.96Å; Y279-N282 VanDerWaalsContact O-N 3.12Å; Y279-E283 HydrophobicContact CD1-CG 4.35Å; Y279-E283 HydrophobicContact CE1-CG 3.99Å; Y279-E283 PolarHBondContact O-N 2.86Å
280	V	87.2	Confident	81.9	Confident	70 Å²	70	128.8 Å²	128.8	42%	0.424	60%	0.598	S	S	.	*	H	α-helix	trans	-65	-38.5	177.6	173.3	0	0	0	0	111.5	R276 N282 W284	R276-V280 HydrophobicContact CG-CG2 4.35Å; R276-V280 WeakPolarHBondContact O-CB 3.31Å; R276-V280 VanDerWaalsContact O-CG2 3.25Å; R276-V280 WeakPolarHBondContact O-CG2 3.49Å; R276-V280 PolarHBondContact O-N 2.91Å; V280-N282 VanDerWaalsContact C-N 3.28Å; V280-N282 PolarHBondContact O-N 3.47Å; V280-W284 VanDerWaalsContact O-CD1 3.25Å
281	Q	81.3	Confident	81	Confident	121 Å²	121	129.7 Å²	129.7	57%	0.565	60%	0.598	S	S	*	*	H	α-helix	trans	-67.2	-29.3	174.2	-81.8	-170.8	-76	0	0	112.8	R277 V278 Y279	R277-Q281 WeakPolarHBondContact O-CB 3.24Å; R277-Q281 PolarHBondContact O-N 3.32Å; V278-Q281 PolarHBondContact O-N 2.74Å; Y279-Q281 PolarHBondContact O-N 3.46Å
282	N	80.1	Confident	80.2	Confident	78 Å²	78	132.8 Å²	132.8	42%	0.417	61%	0.606	S	S	.	*	H	α-helix	trans	-83.9	-29	179.8	-79.6	-0	0	0	0	113.6	V278 Y279 V280 W284 R285 F286	V278-N282 WeakPolarHBondContact O-CB 3.4Å; V278-N282 PolarHBondContact O-N 3.27Å; Y279-N282 PolarHBondContact O-N 2.96Å; Y279-N282 VanDerWaalsContact O-N 3.12Å; V280-N282 VanDerWaalsContact C-N 3.28Å; V280-N282 PolarHBondContact O-N 3.47Å; N282-W284 PolarHBondContact O-N 3.4Å; N282-R285 PolarHBondContact O-N 3.25Å; N282-F286 WeakPolarHBondContact O-CD2 3.2Å
283	E	74.4	Confident	79.2	Confident	104 Å²	104	135.9 Å²	135.9	49%	0.486	61%	0.612	S	S	.	*	H	α-helix	trans	-60.7	-33.2	174.2	-89.5	-159	145.7	0	0	112.5	Y279 R285 F286	Y279-E283 HydrophobicContact CD1-CG 4.35Å; Y279-E283 HydrophobicContact CE1-CG 3.99Å; Y279-E283 PolarHBondContact O-N 2.86Å; E283-R285 PolarHBondContact O-N 2.74Å; E283-F286 PolarHBondContact O-N 3.47Å
284	W	56.9	Low	78.1	Confident	181 Å²	181	138.5 Å²	138.5	69%	0.686	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.9	-18.2	174.2	-73.4	101.8	0	0	0	113.9	V280 N282	V280-W284 VanDerWaalsContact O-CD1 3.25Å; N282-W284 PolarHBondContact O-N 3.4Å
285	R	61.2	Low	76.9	Confident	204 Å²	204	142.9 Å²	142.9	77%	0.77	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.2	-12.3	176.3	-77.2	-158.9	-171.6	-161.2	4.3	114.3	N282 E283	N282-R285 PolarHBondContact O-N 3.25Å; E283-R285 PolarHBondContact O-N 2.74Å
286	F	59.5	Low	75.6	Confident	173 Å²	173	145.7 Å²	145.7	76%	0.759	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.4	-7	179.4	-70.4	-73.3	0	0	0	113.8	N282 E283	N282-F286 WeakPolarHBondContact O-CD2 3.2Å; E283-F286 PolarHBondContact O-N 3.47Å
287	H	64.5	Low	74.2	Confident	162 Å²	162	143.3 Å²	143.3	75%	0.75	64%	0.635	S	S	*	*			trans	-112.1	18.5	179.3	-82.7	-64	0	0	0	115
288	Q	52.9	Low	72.5	Confident	223 Å²	223	140.2 Å²	140.2	100%	1.042	63%	0.632	S	S	*	*			trans	-126.8	0	166.1	-73.3	-171	-14.6	0	0	109.9

Retrieved 288 of 288 residues in 71.9 ms (Link to these results)

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