A0A077ZMU0_TRITR Loading...

Ndr domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZMU0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 278 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	43.5	Very low	39.7	Very low	229 Å²	229	164.4 Å²	164.4	100%	1.128	84%	0.843	S	S	*	*				0	98.1	0	-162.4	173.9	-76.6	0	0	103.1	D3	M1-D3 PolarHBondContact O-N 3.06Å
2	E	43.9	Very low	39	Very low	195 Å²	195	156.3 Å²	156.3	91%	0.911	81%	0.812	S	S	*	*			trans	-79.5	109.8	-165.4	-71.8	168.5	172.5	0	0	109.1	L4	E2-L4 PolarHBondContact O-N 2.58Å
3	D	39.4	Very low	38.7	Very low	153 Å²	153	151.8 Å²	151.8	82%	0.818	80%	0.799	S	S	*	*			trans	-69.7	114.1	171.8	-67.1	-45.3	0	0	0	108.7	M1 E5	M1-D3 PolarHBondContact O-N 3.06Å; D3-E5 PolarHBondContact O-N 3.17Å; D3-E5 VanDerWaalsContact O-N 3.09Å
4	L	51.6	Low	38.4	Very low	171 Å²	171	145.4 Å²	145.4	90%	0.895	78%	0.778	S	S	*	*			trans	-77.4	90	176.5	-147	85.3	0	0	0	108.2	E2 L6	E2-L4 PolarHBondContact O-N 2.58Å; L4-L6 PolarHBondContact O-N 3.28Å
5	E	38.4	Very low	38.1	Very low	184 Å²	184	140 Å²	140	86%	0.86	76%	0.762	S	S	*	*			trans	-63.6	115.4	172.6	-80.9	-168.6	153.2	0	0	110	D3 G7	D3-E5 PolarHBondContact O-N 3.17Å; D3-E5 VanDerWaalsContact O-N 3.09Å; E5-G7 VanDerWaalsContact C-N 3.31Å; E5-G7 PolarHBondContact O-N 3.31Å
6	L	40	Very low	38.1	Very low	175 Å²	175	140.9 Å²	140.9	92%	0.916	77%	0.765	S	S	*	*			trans	-66.8	90.7	173.6	-155.8	79.2	0	0	0	108.3	L4 K8	L4-L6 PolarHBondContact O-N 3.28Å; L6-K8 PolarHBondContact O-N 2.96Å
7	G	36.7	Very low	37.7	Very low	65 Å²	65	140.1 Å²	140.1	67%	0.67	76%	0.759	S	S	*	*			trans	-53.1	121.2	178.7	0	0	0	0	0	111.5	E5 L9	E5-G7 VanDerWaalsContact C-N 3.31Å; E5-G7 PolarHBondContact O-N 3.31Å; G7-L9 PolarHBondContact O-N 3.11Å; G7-L9 VanDerWaalsContact O-N 3.08Å
8	K	33.7	Very low	37.6	Very low	181 Å²	181	137.8 Å²	137.8	79%	0.787	75%	0.745	S	S	*	*			trans	-31.2	105.9	168.4	-63.5	172.1	176.8	-178.2	0	112.4	L6 E10	L6-K8 PolarHBondContact O-N 2.96Å; K8-E10 HydrophobicContact CB-CG 4.28Å; K8-E10 PolarHBondContact O-N 3.46Å; K8-E10 VanDerWaalsContact O-N 3.09Å
9	L	39.8	Very low	37.2	Very low	157 Å²	157	133.8 Å²	133.8	82%	0.822	73%	0.729	S	S	*	*			trans	-79.9	80.7	161.7	-145.8	88.1	0	0	0	107.2	G7 L11	G7-L9 PolarHBondContact O-N 3.11Å; G7-L9 VanDerWaalsContact O-N 3.08Å; L9-L11 VanDerWaalsContact C-N 3.32Å; L9-L11 PolarHBondContact O-N 3Å
10	E	30.4	Very low	37.3	Very low	161 Å²	161	131.7 Å²	131.7	75%	0.752	73%	0.73	S	S	*	*			trans	-70.3	93.5	169	-70.9	-166.3	170.4	0	0	108.2	K8 S12	K8-E10 HydrophobicContact CB-CG 4.28Å; K8-E10 PolarHBondContact O-N 3.46Å; K8-E10 VanDerWaalsContact O-N 3.09Å; E10-S12 PolarHBondContact O-N 3.3Å
11	L	39.4	Very low	37.1	Very low	137 Å²	137	129.7 Å²	129.7	72%	0.717	73%	0.731	S	S	*	*			trans	-64.7	90.6	164.9	-85.4	150.3	0	0	0	107.8	L9	L9-L11 VanDerWaalsContact C-N 3.32Å; L9-L11 PolarHBondContact O-N 3Å
12	S	31.1	Very low	36.8	Very low	67 Å²	67	126.5 Å²	126.5	47%	0.469	71%	0.713	S	S	.	*			trans	-53.8	128.8	170.2	169.8	0	0	0	0	109.2	E10 A14 A15	E10-S12 PolarHBondContact O-N 3.3Å; S12-A14 PolarHBondContact O-N 3.1Å; S12-A14 VanDerWaalsContact OG-CB 3.25Å; S12-A14 WeakPolarHBondContact OG-CB 3.39Å; S12-A14 PolarHBondContact OG-N 3Å; S12-A15 WeakPolarHBondContact O-CB 3.47Å; S12-A15 PolarHBondContact O-N 2.72Å
13	P	35.3	Very low	36.6	Very low	98 Å²	98	119.6 Å²	119.6	64%	0.636	69%	0.686	S	S	*	*	G	3₁₀ helix	trans	-53.4	-16.7	171.8	-26	34	0	0	0	113.8	A15 L16 L17	P13-A15 PolarHBondContact O-N 3.21Å; P13-L16 PolarHBondContact O-N 3.41Å; P13-L17 PolarHBondContact O-N 3.38Å
14	A	34.3	Very low	36.8	Very low	62 Å²	62	120.4 Å²	120.4	51%	0.512	69%	0.685	S	S	.	*	G	3₁₀ helix	trans	-66	-20.8	173	0	0	0	0	0	113.7	S12 L16 L17	S12-A14 PolarHBondContact O-N 3.1Å; S12-A14 VanDerWaalsContact OG-CB 3.25Å; S12-A14 WeakPolarHBondContact OG-CB 3.39Å; S12-A14 PolarHBondContact OG-N 3Å; A14-L16 VanDerWaalsContact C-N 3.27Å; A14-L16 PolarHBondContact O-N 3.43Å; A14-L17 CarbonylContact O-C 3.36Å; A14-L17 PolarHBondContact O-N 2.93Å
15	A	34.6	Very low	36.8	Very low	65 Å²	65	119.4 Å²	119.4	54%	0.537	67%	0.673	S	S	.	*	G	3₁₀ helix	trans	-72.7	-20.3	174	0	0	0	0	0	113	S12 P13	S12-A15 WeakPolarHBondContact O-CB 3.47Å; S12-A15 PolarHBondContact O-N 2.72Å; P13-A15 PolarHBondContact O-N 3.21Å
16	L	37.3	Very low	38.7	Very low	155 Å²	155	116.6 Å²	116.6	81%	0.812	66%	0.664	S	S	*	*	S	Bend	trans	-92.9	-8.1	172.6	-74.6	165.3	0	0	0	112.6	P13 A14	P13-L16 PolarHBondContact O-N 3.41Å; A14-L16 VanDerWaalsContact C-N 3.27Å; A14-L16 PolarHBondContact O-N 3.43Å
17	L	30.8	Very low	41	Very low	127 Å²	127	110.2 Å²	110.2	67%	0.665	63%	0.628	S	S	*	*			trans	-117.9	65.1	178.1	-71.8	165	0	0	0	108.8	P13 A14 S19	P13-L17 PolarHBondContact O-N 3.38Å; A14-L17 CarbonylContact O-C 3.36Å; A14-L17 PolarHBondContact O-N 2.93Å; L17-S19 PolarHBondContact O-N 2.91Å
18	I	36.2	Very low	43.7	Very low	99 Å²	99	112.4 Å²	112.4	51%	0.508	62%	0.621	S	S	.	*			trans	-63.7	102.3	148.2	-64	177	0	0	0	103.8	A20	I18-A20 PolarHBondContact O-N 3.29Å
19	S	30.8	Very low	46.6	Very low	62 Å²	62	108.2 Å²	108.2	43%	0.434	60%	0.604	S	S	.	*			trans	-43.6	132	-177.3	48.7	0	0	0	0	110.6	L17 A21 E22	L17-S19 PolarHBondContact O-N 2.91Å; S19-A21 PolarHBondContact O-N 2.91Å; S19-E22 PolarHBondContact O-N 2.96Å
20	A	39.1	Very low	49.3	Very low	91 Å²	91	101.8 Å²	101.8	75%	0.752	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51	-2	168.8	0	0	0	0	0	114.7	I18	I18-A20 PolarHBondContact O-N 3.29Å
21	A	34	Very low	52.3	Low	90 Å²	90	99.4 Å²	99.4	74%	0.744	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.8	-9.2	-180	0	0	0	0	0	114.9	S19	S19-A21 PolarHBondContact O-N 2.91Å
22	E	36.4	Very low	55	Low	162 Å²	162	92.9 Å²	92.9	76%	0.757	52%	0.524	S	S	*	.	S	Bend	trans	-119.6	13.8	179.6	-73.4	-172.4	169.8	0	0	114.8	S19 H24	S19-E22 PolarHBondContact O-N 2.96Å; E22-H24 PolarHBondContact O-N 3.1Å; E22-H24 VanDerWaalsContact O-N 3.11Å
23	S	39.3	Very low	58	Low	50 Å²	50	95 Å²	95	35%	0.35	53%	0.53	S	S	.	.			trans	-78.5	93.7	164.8	71.4	0	0	0	0	109	K25	S23-K25 PolarHBondContact O-N 3.26Å
24	H	43.5	Very low	60.7	Low	169 Å²	169	91.4 Å²	91.4	78%	0.782	51%	0.507	S	S	*	.			trans	-51.7	118.6	150.4	-113.8	-95.5	0	0	0	105.9	E22 D26	E22-H24 PolarHBondContact O-N 3.1Å; E22-H24 VanDerWaalsContact O-N 3.11Å; H24-D26 PolarHBondContact O-N 3.03Å
25	K	52.9	Low	63.3	Low	150 Å²	150	93.2 Å²	93.2	65%	0.652	52%	0.516	S	S	*	.			trans	-66.7	79.3	-174.4	-71.8	-171.3	176.4	-167.7	0	109.8	S23 Y27	S23-K25 PolarHBondContact O-N 3.26Å; K25-Y27 HydrophobicContact CG-CE1 4.38Å; K25-Y27 PolarHBondContact O-N 3.42Å
26	D	77.8	Confident	65.8	Low	126 Å²	126	92 Å²	92	67%	0.674	50%	0.498	S	S	*	.			trans	-83.9	26.6	174.2	-66.4	-17.4	0	0	0	111.1	H24	H24-D26 PolarHBondContact O-N 3.03Å
27	Y	87.9	Confident	68.2	Low	41 Å²	41	86.4 Å²	86.4	16%	0.161	48%	0.478	C	S	.	.	S	Bend	trans	-132.4	146.2	176.8	64.6	-98.8	0	0	0	111.5	K25 Y42 V43	K25-Y27 HydrophobicContact CG-CE1 4.38Å; K25-Y27 PolarHBondContact O-N 3.42Å; Y27-Y42 AromaticContact CD2-CD1 3.68Å; Y27-Y42 HydrophobicContact CD2-CD1 3.68Å; Y27-Y42 HydrophobicContact CD2-CE1 4.4Å; Y27-Y42 AromaticContact CD2-CG 3.91Å; Y27-Y42 HydrophobicContact CD2-CG 3.91Å; Y27-Y42 AromaticContact CE2-CD1 3.6Å; Y27-Y42 HydrophobicContact CE2-CD1 3.6Å; Y27-Y42 AromaticContact CE2-CE1 3.86Å; Y27-Y42 HydrophobicContact CE2-CE1 3.86Å; Y27-Y42 HydrophobicContact CE2-CG 4.07Å; Y27-Y42 HydrophobicContact CG-CG 4.48Å; Y27-V43 CarbonylContact C-O 3.55Å; Y27-V43 VanDerWaalsContact CA-O 3.32Å; Y27-V43 WeakPolarHBondContact CA-O 3.38Å
28	E	93.4	Very high	71.1	Confident	110 Å²	110	86 Å²	86	51%	0.514	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	125.7	167.6	-177.7	-173.7	174.6	0	0	108.9	V30 V43	E28-V30 HydrophobicContact CG-CG2 3.97Å; E28-V43 HydrophobicContact CB-CB 4.35Å; E28-V43 PolarHBondContact N-O 3.49Å; E28-V43 PolarHBondContact O-N 2.85Å
29	E	94.4	Very high	73.9	Confident	93 Å²	93	81.2 Å²	81.2	44%	0.435	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	121.4	173.3	-175	-176.6	150.9	0	0	110.4	K31 C40 Y42	E29-K31 WeakPolarHBondContact OE1-CE 3.34Å; E29-C40 VanDerWaalsContact CG-SG 3.54Å; E29-Y42 HydrophobicContact CB-CD1 4.16Å; E29-Y42 HydrophobicContact CB-CE1 4.32Å; E29-Y42 HydrophobicContact CG-CD1 4.02Å; E29-Y42 HydrophobicContact CG-CE1 3.85Å
30	V	95.6	Very high	76.9	Confident	22 Å²	22	78.3 Å²	78.3	13%	0.133	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	125.8	179.4	-175.6	0	0	0	0	109.8	E28 V32 V41 V43 F130	E28-V30 HydrophobicContact CG-CG2 3.97Å; V30-V32 HydrophobicContact CG1-CG2 4.24Å; V30-V41 PolarHBondContact N-O 3.25Å; V30-V41 PolarHBondContact O-N 3.35Å; V30-V43 HydrophobicContact CG2-CG2 3.97Å; V30-F130 HydrophobicContact CB-CZ 4.01Å; V30-F130 HydrophobicContact CG1-CE1 4.32Å; V30-F130 HydrophobicContact CG1-CZ 3.95Å; V30-F130 HydrophobicContact CG2-CE1 4.4Å; V30-F130 HydrophobicContact CG2-CZ 4.29Å
31	K	95.1	Very high	79.7	Confident	111 Å²	111	74 Å²	74	48%	0.483	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	107.3	173.7	-65.1	-166.5	179.1	-167.1	0	110.3	E29 K38	E29-K31 WeakPolarHBondContact OE1-CE 3.34Å; K31-K38 HydrophobicContact CB-CB 4.49Å; K31-K38 HydrophobicContact CB-CD 4.45Å
32	V	96	Very high	82.6	Confident	1 Å²	1	69.9 Å²	69.9	1%	0.006	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	128.7	-178.7	-178.2	0	0	0	0	110.2	V30 T34 K38 V39 V41 I126 H129 F130	V30-V32 HydrophobicContact CG1-CG2 4.24Å; V32-T34 HydrophobicContact CG1-CG2 4.47Å; V32-K38 CarbonylContact O-C 3.55Å; V32-K38 WeakPolarHBondContact O-CA 3.17Å; V32-V39 PolarHBondContact N-O 3.07Å; V32-V39 PolarHBondContact O-N 3.46Å; V32-V41 HydrophobicContact CG2-CG2 3.96Å; V32-I126 HydrophobicContact CB-CG1 4.28Å; V32-I126 HydrophobicContact CG1-CG1 4.15Å; V32-I126 HydrophobicContact CG2-CG1 4.44Å; V32-H129 HydrophobicContact CG1-CB 3.69Å; V32-H129 HydrophobicContact CG2-CB 4.41Å; V32-F130 HydrophobicContact CG2-CE2 3.94Å; V32-F130 HydrophobicContact CG2-CZ 4.23Å
33	D	93.9	Very high	85.4	Confident	110 Å²	110	62.5 Å²	62.5	59%	0.588	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74	125.9	174.1	-74.4	-67.9	0	0	0	111.3	K38	D33-K38 WeakPolarHBondContact OD1-CE 3.13Å; D33-K38 WeakPolarHBondContact OD1-CG 3.23Å; D33-K38 IonicContact OD1-NZ 3.44Å; D33-K38 PolarHBondContact OD1-NZ 2.83Å; D33-K38 IonicContact OD2-NZ 2.7Å; D33-K38 PolarHBondContact OD2-NZ 2.9Å
34	T	91.7	Very high	88	Confident	23 Å²	23	62.5 Å²	62.5	14%	0.141	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	169.3	175.8	78.6	0	0	0	0	110.8	V32 F36 G37 V39 I122 A125	V32-T34 HydrophobicContact CG1-CG2 4.47Å; T34-F36 PolarHBondContact O-N 3.12Å; T34-F36 VanDerWaalsContact O-N 3.09Å; T34-F36 PolarHBondContact OG1-N 2.89Å; T34-G37 WeakPolarHBondContact CB-O 3.37Å; T34-G37 PolarHBondContact N-O 3.48Å; T34-G37 PolarHBondContact O-N 2.87Å; T34-G37 VanDerWaalsContact O-N 3.14Å; T34-G37 PolarHBondContact OG1-O 2.87Å; T34-V39 HydrophobicContact CG2-CB 4.27Å; T34-V39 HydrophobicContact CG2-CG2 3.88Å; T34-I122 HydrophobicContact CG2-CG2 4.27Å; T34-A125 HydrophobicContact CG2-CB 4.1Å
35	S	88.1	Confident	90.2	Very high	100 Å²	100	57 Å²	57	70%	0.699	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-19	173.2	46.4	0	0	0	0	113.6
36	F	87.3	Confident	92	Very high	41 Å²	41	53.3 Å²	53.3	18%	0.18	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	9.7	-177.6	-56.9	-77.5	0	0	0	113.2	T34 Y111 P114 E118 I122	T34-F36 PolarHBondContact O-N 3.12Å; T34-F36 VanDerWaalsContact O-N 3.09Å; T34-F36 PolarHBondContact OG1-N 2.89Å; F36-Y111 PolarHBondContact O-OH 3.35Å; F36-P114 HydrophobicContact CB-CG 3.75Å; F36-P114 HydrophobicContact CD1-CB 4.06Å; F36-P114 HydrophobicContact CD1-CG 3.65Å; F36-P114 HydrophobicContact CD2-CG 4.27Å; F36-P114 HydrophobicContact CE1-CB 4.26Å; F36-P114 HydrophobicContact CE1-CG 4.34Å; F36-P114 HydrophobicContact CG-CB 4.21Å; F36-P114 HydrophobicContact CG-CG 3.61Å; F36-E118 HydrophobicContact CE1-CB 4.12Å; F36-E118 HydrophobicContact CE1-CG 4.25Å; F36-E118 HydrophobicContact CE2-CB 3.92Å; F36-E118 HydrophobicContact CE2-CG 4.47Å; F36-E118 HydrophobicContact CZ-CB 3.49Å; F36-E118 VanDerWaalsContact CZ-CB 3.49Å; F36-E118 HydrophobicContact CZ-CG 3.66Å; F36-I122 HydrophobicContact CB-CD1 4.05Å; F36-I122 HydrophobicContact CD2-CD1 3.87Å; F36-I122 HydrophobicContact CD2-CG1 3.62Å; F36-I122 HydrophobicContact CE2-CG1 4.34Å; F36-I122 HydrophobicContact CG-CD1 4.25Å; F36-I122 HydrophobicContact CG-CG1 4.45Å
37	G	88.1	Confident	92.7	Very high	36 Å²	36	51.5 Å²	51.5	37%	0.371	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	109.5	-171.7	-176	0	0	0	0	0	112.4	T34	T34-G37 WeakPolarHBondContact CB-O 3.37Å; T34-G37 PolarHBondContact N-O 3.48Å; T34-G37 PolarHBondContact O-N 2.87Å; T34-G37 VanDerWaalsContact O-N 3.14Å; T34-G37 PolarHBondContact OG1-O 2.87Å
38	K	91.7	Very high	92.9	Very high	118 Å²	118	58.6 Å²	58.6	51%	0.513	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	133	177.4	-70.7	-176.7	-179.5	-66.1	0	109.7	K31 V32 D33	K31-K38 HydrophobicContact CB-CB 4.49Å; K31-K38 HydrophobicContact CB-CD 4.45Å; V32-K38 CarbonylContact O-C 3.55Å; V32-K38 WeakPolarHBondContact O-CA 3.17Å; D33-K38 WeakPolarHBondContact OD1-CE 3.13Å; D33-K38 WeakPolarHBondContact OD1-CG 3.23Å; D33-K38 IonicContact OD1-NZ 3.44Å; D33-K38 PolarHBondContact OD1-NZ 2.83Å; D33-K38 IonicContact OD2-NZ 2.7Å; D33-K38 PolarHBondContact OD2-NZ 2.9Å
39	V	94.5	Very high	92.7	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	129.7	178.4	178	0	0	0	0	109	V32 T34 V87 N88 P90 I122 I126	V32-V39 PolarHBondContact N-O 3.07Å; V32-V39 PolarHBondContact O-N 3.46Å; T34-V39 HydrophobicContact CG2-CB 4.27Å; T34-V39 HydrophobicContact CG2-CG2 3.88Å; V39-V87 HydrophobicContact CG1-CG1 4.17Å; V39-N88 WeakPolarHBondContact CG1-O 3.12Å; V39-P90 HydrophobicContact CG2-CG 4.12Å; V39-I122 HydrophobicContact CB-CG2 4.38Å; V39-I122 HydrophobicContact CG1-CG2 4.14Å; V39-I122 HydrophobicContact CG2-CD1 4.28Å; V39-I122 HydrophobicContact CG2-CG2 3.91Å; V39-I126 HydrophobicContact CG1-CD1 4.01Å
40	C	95.3	Very high	92.3	Very high	1 Å²	1	55.5 Å²	55.5	1%	0.007	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	127	-179.4	-175.9	0	0	0	0	110.9	E29 Y42 N88 E93	E29-C40 VanDerWaalsContact CG-SG 3.54Å; C40-Y42 WeakPolarHBondContact SG-CE1 2.89Å; C40-N88 HydrophobicContact CB-CB 4.45Å; C40-N88 WeakPolarHBondContact O-CB 3.34Å; C40-N88 PolarHBondContact O-N 3.41Å; C40-N88 PolarHBondContact O-ND2 3.28Å; C40-E93 HydrophobicContact CB-CB 3.76Å; C40-E93 HydrophobicContact CB-CG 3.91Å
41	V	96.7	Very high	92	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	125.3	175.8	-173.6	0	0	0	0	108.8	V30 V32 V43 Y85 H86 V87 I126 F130	V30-V41 PolarHBondContact N-O 3.25Å; V30-V41 PolarHBondContact O-N 3.35Å; V32-V41 HydrophobicContact CG2-CG2 3.96Å; V41-V43 HydrophobicContact CG1-CG2 4.39Å; V41-Y85 HydrophobicContact CG1-CD1 4.48Å; V41-H86 VanDerWaalsContact CA-O 3.31Å; V41-H86 WeakPolarHBondContact CA-O 3.3Å; V41-V87 HydrophobicContact CG2-CG2 4.46Å; V41-I126 HydrophobicContact CG2-CD1 3.81Å; V41-I126 HydrophobicContact CG2-CG1 4.09Å; V41-I126 HydrophobicContact CG2-CG2 4.08Å; V41-F130 HydrophobicContact CB-CE2 4.24Å; V41-F130 HydrophobicContact CB-CZ 4.45Å; V41-F130 HydrophobicContact CG1-CE2 3.99Å; V41-F130 HydrophobicContact CG1-CZ 4.35Å; V41-F130 HydrophobicContact CG2-CE2 4.39Å
42	Y	95.5	Very high	91.6	Very high	4 Å²	4	49.6 Å²	49.6	2%	0.016	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	124.5	169.7	-49.3	-48.2	0	0	0	109.5	Y27 E29 C40 A62 N63 H86 N88	Y27-Y42 AromaticContact CD2-CD1 3.68Å; Y27-Y42 HydrophobicContact CD2-CD1 3.68Å; Y27-Y42 HydrophobicContact CD2-CE1 4.4Å; Y27-Y42 AromaticContact CD2-CG 3.91Å; Y27-Y42 HydrophobicContact CD2-CG 3.91Å; Y27-Y42 AromaticContact CE2-CD1 3.6Å; Y27-Y42 HydrophobicContact CE2-CD1 3.6Å; Y27-Y42 AromaticContact CE2-CE1 3.86Å; Y27-Y42 HydrophobicContact CE2-CE1 3.86Å; Y27-Y42 HydrophobicContact CE2-CG 4.07Å; Y27-Y42 HydrophobicContact CG-CG 4.48Å; E29-Y42 HydrophobicContact CB-CD1 4.16Å; E29-Y42 HydrophobicContact CB-CE1 4.32Å; E29-Y42 HydrophobicContact CG-CD1 4.02Å; E29-Y42 HydrophobicContact CG-CE1 3.85Å; C40-Y42 WeakPolarHBondContact SG-CE1 2.89Å; Y42-A62 HydrophobicContact CD2-CB 4.38Å; Y42-N63 WeakPolarHBondContact CD2-OD1 3.24Å; Y42-H86 HydrophobicContact CD2-CB 4.45Å; Y42-H86 PolarHBondContact N-O 3.09Å; Y42-H86 WeakPolarHBondContact O-CB 3.44Å; Y42-H86 PolarHBondContact O-N 3.18Å; Y42-N88 VanDerWaalsContact CE2-ND2 3.32Å; Y42-N88 WeakPolarHBondContact CE2-ND2 3.48Å
43	V	95.5	Very high	91.5	Very high	6 Å²	6	49.6 Å²	49.6	4%	0.036	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	119.3	-178.2	-173.9	0	0	0	0	109	Y27 E28 V30 V41 Q47 Y85 F130	Y27-V43 CarbonylContact C-O 3.55Å; Y27-V43 VanDerWaalsContact CA-O 3.32Å; Y27-V43 WeakPolarHBondContact CA-O 3.38Å; E28-V43 HydrophobicContact CB-CB 4.35Å; E28-V43 PolarHBondContact N-O 3.49Å; E28-V43 PolarHBondContact O-N 2.85Å; V30-V43 HydrophobicContact CG2-CG2 3.97Å; V41-V43 HydrophobicContact CG1-CG2 4.39Å; V43-Q47 HydrophobicContact CG1-CG 4.01Å; V43-Y85 HydrophobicContact CG1-CD1 4.16Å; V43-Y85 HydrophobicContact CG1-CE1 3.86Å; V43-Y85 HydrophobicContact CG2-CD1 3.92Å; V43-Y85 HydrophobicContact CG2-CE1 4.14Å; V43-F130 HydrophobicContact CG2-CE1 3.88Å; V43-F130 HydrophobicContact CG2-CZ 3.71Å
44	V	92.4	Very high	91.4	Very high	51 Å²	51	44.3 Å²	44.3	31%	0.309	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	125.3	-179.5	-178.3	0	0	0	0	109.3	C83 V84	V44-C83 WeakPolarHBondContact O-CA 3.37Å; V44-C83 PolarHBondContact O-SG 3.06Å; V44-V84 HydrophobicContact CB-CB 4.37Å; V44-V84 PolarHBondContact N-O 2.9Å; V44-V84 PolarHBondContact O-N 3.33Å
45	G	90.4	Very high	91.5	Very high	54 Å²	54	43.5 Å²	43.5	56%	0.557	24%	0.244	S	C	*	.	S	Bend	trans	91.7	-168.3	176.8	0	0	0	0	0	115.1
46	D	90.9	Very high	91.5	Very high	71 Å²	71	39 Å²	39	38%	0.38	21%	0.211	S	C	.	.			trans	-88.8	114.5	-173.9	176.5	4.1	0	0	0	111.1	K48 K49 C83	D46-K48 PolarHBondContact O-N 3.4Å; D46-K48 WeakPolarHBondContact OD1-CB 3.42Å; D46-K48 WeakPolarHBondContact OD1-CG 3.47Å; D46-K48 PolarHBondContact OD1-N 3.39Å; D46-K49 HydrophobicContact CB-CD 4.07Å; D46-K49 HydrophobicContact CB-CG 4.18Å; D46-K49 VanDerWaalsContact O-CB 3.27Å; D46-K49 WeakPolarHBondContact O-CB 3.5Å; D46-K49 PolarHBondContact O-N 3.14Å; D46-C83 WeakPolarHBondContact O-CB 3.31Å
47	Q	93	Very high	91.5	Very high	88 Å²	88	39 Å²	39	41%	0.411	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-8.6	-179.8	-57.8	-173.6	33.5	0	0	114.6	V43 K49	V43-Q47 HydrophobicContact CG1-CG 4.01Å; Q47-K49 VanDerWaalsContact C-N 3.33Å
48	K	90.6	Very high	91.1	Very high	191 Å²	191	43.9 Å²	43.9	83%	0.83	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-17.6	170	-62.7	173.8	-176	171.7	0	113.3	D46	D46-K48 PolarHBondContact O-N 3.4Å; D46-K48 WeakPolarHBondContact OD1-CB 3.42Å; D46-K48 WeakPolarHBondContact OD1-CG 3.47Å; D46-K48 PolarHBondContact OD1-N 3.39Å
49	K	89.6	Confident	90.6	Very high	80 Å²	80	41.6 Å²	41.6	35%	0.348	24%	0.24	S	C	.	.	S	Bend	trans	-79.9	159.1	178.6	-65.8	175.9	-176.9	172.1	0	110.4	D46 Q47 D80	D46-K49 HydrophobicContact CB-CD 4.07Å; D46-K49 HydrophobicContact CB-CG 4.18Å; D46-K49 VanDerWaalsContact O-CB 3.27Å; D46-K49 WeakPolarHBondContact O-CB 3.5Å; D46-K49 PolarHBondContact O-N 3.14Å; Q47-K49 VanDerWaalsContact C-N 3.33Å; K49-D80 PolarHBondContact NZ-O 3.28Å
50	P	86.7	Confident	90.1	Very high	58 Å²	58	45 Å²	45	38%	0.377	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-53.9	144	173.4	-23.5	33.9	0	0	0	111.4	F82 C83 T235	P50-F82 HydrophobicContact CB-CD1 3.84Å; P50-F82 HydrophobicContact CB-CE1 4.03Å; P50-F82 CarbonylContact O-C 3.49Å; P50-F82 VanDerWaalsContact O-CA 3.25Å; P50-F82 WeakPolarHBondContact O-CA 3.45Å; P50-F82 WeakPolarHBondContact O-CB 3.27Å; P50-F82 WeakPolarHBondContact O-CD1 3.23Å; P50-C83 PolarHBondContact O-N 2.96Å; P50-T235 HydrophobicContact CB-CG2 3.73Å; P50-T235 HydrophobicContact CG-CG2 3.41Å; P50-T235 VanDerWaalsContact CG-CG2 3.41Å
51	A	89	Confident	89.8	Confident	5 Å²	5	45.7 Å²	45.7	4%	0.041	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	137.2	-172.2	0	0	0	0	0	112.9	C83 Y85 L132 F135 I136	A51-C83 CarbonylContact C-O 3.6Å; A51-C83 WeakPolarHBondContact CA-O 3.47Å; A51-Y85 HydrophobicContact CB-CD2 3.92Å; A51-Y85 HydrophobicContact CB-CE2 3.58Å; A51-L132 HydrophobicContact CB-CD1 3.91Å; A51-L132 HydrophobicContact CB-CD2 3.77Å; A51-L132 HydrophobicContact CB-CG 4.36Å; A51-F135 HydrophobicContact CB-CB 3.79Å; A51-F135 CarbonylContact O-C 3.54Å; A51-F135 VanDerWaalsContact O-CA 3.31Å; A51-F135 WeakPolarHBondContact O-CA 3.31Å; A51-I136 PolarHBondContact O-N 2.76Å
52	I	87.5	Confident	89.5	Confident	4 Å²	4	45.7 Å²	45.7	2%	0.021	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	126.1	159.8	-60.1	176.9	0	0	0	106.8	T54 F70 F82 C83 V84 Y85 I136 F138	I52-T54 HydrophobicContact CG2-CG2 4.13Å; I52-F70 HydrophobicContact CD1-CE1 4.35Å; I52-F70 HydrophobicContact CG2-CZ 4.25Å; I52-F82 HydrophobicContact CD1-CB 3.78Å; I52-F82 HydrophobicContact CD1-CD1 3.96Å; I52-F82 HydrophobicContact CD1-CD2 3.58Å; I52-F82 HydrophobicContact CD1-CE1 4.46Å; I52-F82 HydrophobicContact CD1-CE2 4.07Å; I52-F82 HydrophobicContact CD1-CG 3.51Å; I52-F82 HydrophobicContact CG1-CB 3.87Å; I52-F82 HydrophobicContact CG1-CD1 3.69Å; I52-F82 HydrophobicContact CG1-CD2 4.26Å; I52-F82 HydrophobicContact CG1-CE1 4.29Å; I52-F82 HydrophobicContact CG1-CG 3.69Å; I52-C83 PolarHBondContact N-O 3.46Å; I52-V84 HydrophobicContact CB-CG1 4.31Å; I52-V84 HydrophobicContact CB-CG2 4.39Å; I52-V84 HydrophobicContact CG2-CG1 4.34Å; I52-V84 CarbonylContact O-C 3.57Å; I52-V84 WeakPolarHBondContact O-CA 3.44Å; I52-Y85 PolarHBondContact O-N 2.81Å; I52-I136 CarbonylContact C-O 3.52Å; I52-I136 VanDerWaalsContact CA-O 3.31Å; I52-I136 WeakPolarHBondContact CA-O 3.31Å; I52-I136 HydrophobicContact CG1-CB 4.14Å; I52-I136 HydrophobicContact CG1-CD1 4.36Å; I52-I136 HydrophobicContact CG1-CG1 4.41Å; I52-F138 HydrophobicContact CG2-CB 4.13Å
53	L	93.7	Very high	89.1	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	122.7	174.9	-172.2	153.2	0	0	0	108.6	Y85 V87 V123 I126 F135 I136 G137 F138 L147	L53-Y85 WeakPolarHBondContact CA-O 3.26Å; L53-V87 HydrophobicContact CD1-CG2 4.28Å; L53-V87 HydrophobicContact CD2-CG2 3.78Å; L53-V87 HydrophobicContact CG-CG2 3.89Å; L53-V123 HydrophobicContact CD1-CG1 3.93Å; L53-V123 HydrophobicContact CD2-CG1 3.76Å; L53-V123 HydrophobicContact CD2-CG2 4.47Å; L53-I126 HydrophobicContact CD1-CG2 4.11Å; L53-F135 HydrophobicContact CB-CD2 3.49Å; L53-F135 VanDerWaalsContact CB-CD2 3.49Å; L53-F135 HydrophobicContact CB-CE2 3.76Å; L53-F135 HydrophobicContact CB-CG 4.32Å; L53-F135 HydrophobicContact CD1-CD2 4.33Å; L53-F135 HydrophobicContact CD1-CE2 4.01Å; L53-F135 HydrophobicContact CD1-CZ 4.35Å; L53-F135 HydrophobicContact CD2-CE2 4.36Å; L53-F135 HydrophobicContact CG-CD2 4.44Å; L53-F135 HydrophobicContact CG-CE2 4.27Å; L53-I136 PolarHBondContact N-O 3.27Å; L53-G137 CarbonylContact O-C 3.49Å; L53-G137 WeakPolarHBondContact O-CA 3.4Å; L53-F138 PolarHBondContact O-N 3.36Å; L53-L147 HydrophobicContact CD2-CD2 4.01Å
54	T	92.4	Very high	88.5	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	144.2	-177.5	76.7	0	0	0	0	111.9	I52 F66 F70 V84 Y85 H86 V87 F138	I52-T54 HydrophobicContact CG2-CG2 4.13Å; T54-F66 VanDerWaalsContact CB-CE2 3.45Å; T54-F66 HydrophobicContact CG2-CD1 4.49Å; T54-F66 HydrophobicContact CG2-CD2 4.43Å; T54-F66 HydrophobicContact CG2-CG 4.43Å; T54-F66 VanDerWaalsContact OG1-CD2 3.27Å; T54-F66 WeakPolarHBondContact OG1-CD2 3.27Å; T54-F66 VanDerWaalsContact OG1-CE2 3.23Å; T54-F66 WeakPolarHBondContact OG1-CE2 3.32Å; T54-F70 HydrophobicContact CG2-CE2 3.79Å; T54-F70 HydrophobicContact CG2-CZ 3.8Å; T54-V84 HydrophobicContact CG2-CG1 3.84Å; T54-Y85 PolarHBondContact N-O 2.88Å; T54-H86 WeakPolarHBondContact OG1-CA 3.34Å; T54-H86 PolarHBondContact OG1-ND1 3.38Å; T54-V87 WeakPolarHBondContact O-CB 3.45Å; T54-V87 PolarHBondContact O-N 3.42Å; T54-F138 CarbonylContact C-O 3.55Å; T54-F138 WeakPolarHBondContact CA-O 3.35Å; T54-F138 HydrophobicContact CG2-CB 4.26Å; T54-F138 HydrophobicContact CG2-CD1 4.41Å
55	F	92.7	Very high	87.9	Confident	5 Å²	5	47.4 Å²	47.4	2%	0.022	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	120.7	173.7	-153.4	-64.6	0	0	0	110.2	F66 V87 A89 L119 V123 F138 G139 V140 G143 V146 L147	F55-F66 WeakPolarHBondContact O-CZ 3.35Å; F55-V87 HydrophobicContact CD2-CB 4.26Å; F55-V87 HydrophobicContact CD2-CG1 4.07Å; F55-V87 HydrophobicContact CE2-CG1 4Å; F55-A89 HydrophobicContact CE1-CB 4.08Å; F55-A89 HydrophobicContact CZ-CB 4.1Å; F55-L119 HydrophobicContact CZ-CB 4.32Å; F55-L119 HydrophobicContact CZ-CD1 4.35Å; F55-L119 HydrophobicContact CZ-CD2 4.33Å; F55-V123 HydrophobicContact CD2-CG2 3.55Å; F55-V123 HydrophobicContact CE2-CG2 3.69Å; F55-F138 PolarHBondContact N-O 3.17Å; F55-G139 WeakPolarHBondContact O-CA 3.4Å; F55-V140 PolarHBondContact O-N 2.79Å; F55-G143 WeakPolarHBondContact O-CA 3.34Å; F55-V146 HydrophobicContact CD2-CG1 4.27Å; F55-V146 HydrophobicContact CE1-CG2 4.32Å; F55-V146 HydrophobicContact CE2-CG1 4.12Å; F55-V146 HydrophobicContact CZ-CG1 4.44Å; F55-V146 HydrophobicContact CZ-CG2 4.4Å; F55-L147 HydrophobicContact CB-CD1 4.08Å; F55-L147 HydrophobicContact CB-CG 4.16Å
56	H	88.5	Confident	87.7	Confident	5 Å²	5	44.9 Å²	44.9	2%	0.023	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-77.2	172	-169.9	63.7	81	0	0	0	113.7	L60 C65 F66 V87 A89 V140 G143	H56-L60 PolarHBondContact CE1-O 3.29Å; H56-L60 PolarHBondContact ND1-O 3.43Å; H56-C65 HydrophobicContact CB-CB 3.57Å; H56-F66 HydrophobicContact CB-CE2 3.84Å; H56-F66 HydrophobicContact CB-CZ 4.36Å; H56-V87 PolarHBondContact CD2-O 3.04Å; H56-A89 PolarHBondContact NE2-N 3.1Å; H56-V140 CarbonylContact C-O 3.53Å; H56-G143 VanDerWaalsContact O-CA 3.3Å; H56-G143 WeakPolarHBondContact O-CA 3.45Å; H56-G143 PolarHBondContact O-N 3.29Å
57	D	86.4	Confident	87.3	Confident	41 Å²	41	44 Å²	44	22%	0.219	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-85.6	169.4	173.4	-155.3	0.3	0	0	0	112.2	L60 V140 G141 A142	D57-L60 PolarHBondContact O-N 2.83Å; D57-V140 WeakPolarHBondContact CA-O 3.25Å; D57-V140 HydrophobicContact CB-CB 4.27Å; D57-V140 HydrophobicContact CB-CG1 4.08Å; D57-V140 PolarHBondContact N-O 2.92Å; D57-G141 WeakPolarHBondContact OD1-CA 3.38Å; D57-G141 WeakPolarHBondContact OD2-CA 3.21Å; D57-A142 PolarHBondContact OD1-N 2.95Å
58	L	80.8	Confident	86.4	Confident	139 Å²	139	42.3 Å²	42.3	73%	0.728	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	139.9	175.7	-58.7	175.4	0	0	0	111.3	L60 A142	L58-L60 PolarHBondContact O-N 3.06Å; L58-A142 HydrophobicContact CD1-CB 4.32Å; L58-A142 HydrophobicContact CD2-CB 3.76Å; L58-A142 HydrophobicContact CG-CB 3.61Å
59	G	81.1	Confident	85.8	Confident	70 Å²	70	33.2 Å²	33.2	72%	0.722	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.1	4.1	178	0	0	0	0	0	114.7
60	L	84.4	Confident	85.4	Confident	72 Å²	72	30.1 Å²	30.1	38%	0.377	19%	0.187	S	C	.	.			trans	-119.6	162.3	172.7	-60.9	175.1	0	0	0	109.8	H56 D57 L58 P64 C65	H56-L60 PolarHBondContact CE1-O 3.29Å; H56-L60 PolarHBondContact ND1-O 3.43Å; D57-L60 PolarHBondContact O-N 2.83Å; L58-L60 PolarHBondContact O-N 3.06Å; L60-P64 HydrophobicContact CD2-CB 4.43Å; L60-C65 HydrophobicContact CB-CB 4.11Å; L60-C65 HydrophobicContact CD1-CB 4.03Å
61	S	89.3	Confident	85.1	Confident	15 Å²	15	33.6 Å²	33.6	11%	0.105	20%	0.198	C	C	.	.			trans	-106.6	177.7	161.9	70.2	0	0	0	0	109.6	N63 P64 C65 Q92	S61-N63 PolarHBondContact O-N 3.4Å; S61-P64 WeakPolarHBondContact O-CD 3.33Å; S61-P64 WeakPolarHBondContact O-CG 3.38Å; S61-P64 WeakPolarHBondContact OG-CD 3.38Å; S61-P64 WeakPolarHBondContact OG-CG 3.21Å; S61-C65 WeakPolarHBondContact O-CB 3.39Å; S61-C65 PolarHBondContact O-N 2.83Å; S61-C65 VanDerWaalsContact O-N 3.16Å; S61-Q92 WeakPolarHBondContact CB-O 3.33Å
62	A	89.6	Confident	84.3	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-63.4	-39.8	-174.2	0	0	0	0	0	113.1	Y42 C65 F66 H86 N88	Y42-A62 HydrophobicContact CD2-CB 4.38Å; A62-C65 PolarHBondContact O-N 3.36Å; A62-F66 HydrophobicContact CB-CD2 4.38Å; A62-F66 WeakPolarHBondContact O-CB 3.35Å; A62-F66 VanDerWaalsContact O-CD2 3.23Å; A62-F66 WeakPolarHBondContact O-CD2 3.41Å; A62-F66 PolarHBondContact O-N 2.9Å; A62-H86 HydrophobicContact CB-CB 3.78Å; A62-N88 WeakPolarHBondContact CB-OD1 3.39Å; A62-N88 PolarHBondContact N-OD1 3.49Å
63	N	86.6	Confident	83.7	Confident	23 Å²	23	40.6 Å²	40.6	12%	0.123	24%	0.238	C	C	.	.	H	α-helix	trans	-59.6	-64.1	177.8	-71.5	-15.1	0	0	0	112.8	Y42 S61 C65 F66 Q67 E94	Y42-N63 WeakPolarHBondContact CD2-OD1 3.24Å; S61-N63 PolarHBondContact O-N 3.4Å; N63-C65 PolarHBondContact O-N 3.41Å; N63-C65 VanDerWaalsContact O-N 3.12Å; N63-F66 PolarHBondContact O-N 2.73Å; N63-F66 VanDerWaalsContact O-N 3.15Å; N63-Q67 WeakPolarHBondContact O-CB 3.36Å; N63-Q67 PolarHBondContact O-N 2.91Å; N63-E94 PolarHBondContact ND2-OE1 2.89Å
64	P	82.5	Confident	82.4	Confident	66 Å²	66	44.7 Å²	44.7	43%	0.429	26%	0.257	S	S	.	.	H	α-helix	trans	-62.7	-23	-179.1	27.5	-36.1	0	0	0	113	L60 S61	L60-P64 HydrophobicContact CD2-CB 4.43Å; S61-P64 WeakPolarHBondContact O-CD 3.33Å; S61-P64 WeakPolarHBondContact O-CG 3.38Å; S61-P64 WeakPolarHBondContact OG-CD 3.38Å; S61-P64 WeakPolarHBondContact OG-CG 3.21Å
65	C	81.1	Confident	81.2	Confident	9 Å²	9	44.8 Å²	44.8	6%	0.061	26%	0.258	C	S	.	.	H	α-helix	trans	-76.5	-37.4	176.4	-165.8	0	0	0	0	112.9	H56 L60 S61 A62 N63 F254	H56-C65 HydrophobicContact CB-CB 3.57Å; L60-C65 HydrophobicContact CB-CB 4.11Å; L60-C65 HydrophobicContact CD1-CB 4.03Å; S61-C65 WeakPolarHBondContact O-CB 3.39Å; S61-C65 PolarHBondContact O-N 2.83Å; S61-C65 VanDerWaalsContact O-N 3.16Å; A62-C65 PolarHBondContact O-N 3.36Å; N63-C65 PolarHBondContact O-N 3.41Å; N63-C65 VanDerWaalsContact O-N 3.12Å; C65-F254 VanDerWaalsContact O-CE1 3.24Å; C65-F254 WeakPolarHBondContact O-CE1 3.41Å
66	F	85.2	Confident	80.4	Confident	1 Å²	1	46.5 Å²	46.5	0%	0.004	27%	0.27	C	S	.	.	H	α-helix	trans	-118.9	-20.2	-167.1	-64	-60.8	0	0	0	115.3	T54 F55 H56 A62 N63 S68 F69 F70 H86 F138 V140 F254	T54-F66 VanDerWaalsContact CB-CE2 3.45Å; T54-F66 HydrophobicContact CG2-CD1 4.49Å; T54-F66 HydrophobicContact CG2-CD2 4.43Å; T54-F66 HydrophobicContact CG2-CG 4.43Å; T54-F66 VanDerWaalsContact OG1-CD2 3.27Å; T54-F66 WeakPolarHBondContact OG1-CD2 3.27Å; T54-F66 VanDerWaalsContact OG1-CE2 3.23Å; T54-F66 WeakPolarHBondContact OG1-CE2 3.32Å; F55-F66 WeakPolarHBondContact O-CZ 3.35Å; H56-F66 HydrophobicContact CB-CE2 3.84Å; H56-F66 HydrophobicContact CB-CZ 4.36Å; A62-F66 HydrophobicContact CB-CD2 4.38Å; A62-F66 WeakPolarHBondContact O-CB 3.35Å; A62-F66 VanDerWaalsContact O-CD2 3.23Å; A62-F66 WeakPolarHBondContact O-CD2 3.41Å; A62-F66 PolarHBondContact O-N 2.9Å; N63-F66 PolarHBondContact O-N 2.73Å; N63-F66 VanDerWaalsContact O-N 3.15Å; F66-S68 PolarHBondContact O-N 3.15Å; F66-F69 WeakPolarHBondContact O-CB 3.48Å; F66-F69 PolarHBondContact O-N 2.82Å; F66-F70 HydrophobicContact CB-CD2 3.83Å; F66-F70 HydrophobicContact CB-CE2 3.9Å; F66-F70 HydrophobicContact CD1-CE2 4.24Å; F66-F70 HydrophobicContact CG-CE2 4.27Å; F66-F70 WeakPolarHBondContact O-CD2 3.42Å; F66-F70 PolarHBondContact O-N 3.17Å; F66-H86 AromaticContact CD2-ND1 3.91Å; F66-F138 AromaticContact CD1-CD1 3.86Å; F66-F138 HydrophobicContact CD1-CD1 3.86Å; F66-F138 AromaticContact CD1-CE1 3.78Å; F66-F138 HydrophobicContact CD1-CE1 3.78Å; F66-F138 AromaticContact CE1-CD1 3.47Å; F66-F138 HydrophobicContact CE1-CD1 3.47Å; F66-F138 VanDerWaalsContact CE1-CD1 3.47Å; F66-F138 AromaticContact CE1-CE1 3.6Å; F66-F138 HydrophobicContact CE1-CE1 3.6Å; F66-F138 HydrophobicContact CZ-CD1 4.43Å; F66-V140 HydrophobicContact CE1-CG2 3.65Å; F66-V140 HydrophobicContact CZ-CG2 4.13Å; F66-F254 HydrophobicContact CD1-CZ 4.33Å
67	Q	81.8	Confident	79.6	Confident	52 Å²	52	49.1 Å²	49.1	24%	0.243	29%	0.293	C	S	.	.	H	α-helix	trans	-55.4	-50.2	-172.3	-176.4	-179.4	4.3	0	0	112.4	N63 F69 F70 H71	N63-Q67 WeakPolarHBondContact O-CB 3.36Å; N63-Q67 PolarHBondContact O-N 2.91Å; Q67-F69 PolarHBondContact O-N 3.31Å; Q67-F70 PolarHBondContact O-N 3Å; Q67-H71 VanDerWaalsContact CG-ND1 3.26Å; Q67-H71 WeakPolarHBondContact CG-ND1 3.25Å; Q67-H71 WeakPolarHBondContact O-CB 3.37Å; Q67-H71 PolarHBondContact O-N 3.45Å; Q67-H71 PolarHBondContact O-ND1 2.85Å
68	S	75.9	Confident	78.9	Confident	52 Å²	52	47.8 Å²	47.8	36%	0.364	29%	0.286	S	S	.	.	H	α-helix	trans	-62.3	-29.8	179.9	-57.4	0	0	0	0	112.9	F66 F72	F66-S68 PolarHBondContact O-N 3.15Å; S68-F72 PolarHBondContact O-N 2.86Å
69	F	77.7	Confident	78.8	Confident	1 Å²	1	42 Å²	42	0%	0.004	26%	0.257	C	S	.	.	H	α-helix	trans	-74.9	-48.6	177.8	175.6	-103.8	0	0	0	111.9	F66 Q67 F72 M75 F138 F247 G250 F254	F66-F69 WeakPolarHBondContact O-CB 3.48Å; F66-F69 PolarHBondContact O-N 2.82Å; Q67-F69 PolarHBondContact O-N 3.31Å; F69-F72 WeakPolarHBondContact O-CB 3.26Å; F69-F72 PolarHBondContact O-N 3.41Å; F69-M75 HydrophobicContact CD1-CG 4.18Å; F69-M75 HydrophobicContact CE1-CE 3.85Å; F69-M75 HydrophobicContact CE1-CG 3.82Å; F69-M75 HydrophobicContact CE1-SD 4.01Å; F69-M75 HydrophobicContact CE2-CG 4.42Å; F69-M75 HydrophobicContact CZ-CE 4.2Å; F69-M75 HydrophobicContact CZ-CG 3.95Å; F69-M75 HydrophobicContact CZ-SD 3.86Å; F69-M75 VanDerWaalsContact O-CB 3.27Å; F69-M75 WeakPolarHBondContact O-CB 3.42Å; F69-M75 WeakPolarHBondContact O-CG 3.33Å; F69-F138 HydrophobicContact CD1-CE1 4.07Å; F69-F138 AromaticContact CD1-CZ 3.95Å; F69-F138 HydrophobicContact CD1-CZ 3.95Å; F69-F138 HydrophobicContact CD2-CZ 4.49Å; F69-F138 HydrophobicContact CE1-CE1 4.03Å; F69-F138 AromaticContact CE1-CE2 3.86Å; F69-F138 HydrophobicContact CE1-CE2 3.86Å; F69-F138 AromaticContact CE1-CZ 3.57Å; F69-F138 HydrophobicContact CE1-CZ 3.57Å; F69-F138 HydrophobicContact CE2-CZ 4.15Å; F69-F138 HydrophobicContact CG-CZ 4.39Å; F69-F138 AromaticContact CZ-CE2 3.81Å; F69-F138 HydrophobicContact CZ-CE2 3.81Å; F69-F138 AromaticContact CZ-CZ 3.69Å; F69-F138 HydrophobicContact CZ-CZ 3.69Å; F69-F247 HydrophobicContact CZ-CD1 4.27Å; F69-F247 HydrophobicContact CZ-CE1 4.41Å; F69-G250 VanDerWaalsContact CD2-C 3.5Å; F69-G250 WeakPolarHBondContact CD2-O 3.31Å; F69-F254 HydrophobicContact CB-CE2 3.63Å; F69-F254 HydrophobicContact CB-CZ 3.68Å; F69-F254 HydrophobicContact CD1-CE2 4.35Å; F69-F254 HydrophobicContact CD2-CD2 4.14Å; F69-F254 AromaticContact CD2-CE2 3.43Å; F69-F254 HydrophobicContact CD2-CE2 3.43Å; F69-F254 VanDerWaalsContact CD2-CE2 3.43Å; F69-F254 HydrophobicContact CD2-CZ 4.33Å; F69-F254 HydrophobicContact CE2-CE2 4.14Å; F69-F254 AromaticContact CG-CE2 3.55Å; F69-F254 HydrophobicContact CG-CE2 3.55Å; F69-F254 HydrophobicContact CG-CZ 4Å
70	F	81.1	Confident	78.9	Confident	14 Å²	14	43.8 Å²	43.8	6%	0.061	25%	0.25	C	C	.	.	H	α-helix	trans	-76.1	-23	-177.1	-74.6	-79.9	0	0	0	113.8	I52 T54 F66 Q67 M75 S76 V84 H86	I52-F70 HydrophobicContact CD1-CE1 4.35Å; I52-F70 HydrophobicContact CG2-CZ 4.25Å; T54-F70 HydrophobicContact CG2-CE2 3.79Å; T54-F70 HydrophobicContact CG2-CZ 3.8Å; F66-F70 HydrophobicContact CB-CD2 3.83Å; F66-F70 HydrophobicContact CB-CE2 3.9Å; F66-F70 HydrophobicContact CD1-CE2 4.24Å; F66-F70 HydrophobicContact CG-CE2 4.27Å; F66-F70 WeakPolarHBondContact O-CD2 3.42Å; F66-F70 PolarHBondContact O-N 3.17Å; Q67-F70 PolarHBondContact O-N 3Å; F70-M75 HydrophobicContact CD1-CE 4.12Å; F70-M75 HydrophobicContact CE1-CE 3.87Å; F70-S76 WeakPolarHBondContact O-CA 3.49Å; F70-S76 PolarHBondContact O-N 3.17Å; F70-V84 HydrophobicContact CD1-CG2 4.28Å; F70-V84 HydrophobicContact CE1-CG1 4.02Å; F70-V84 HydrophobicContact CE1-CG2 3.96Å; F70-V84 HydrophobicContact CE2-CG1 4.27Å; F70-V84 HydrophobicContact CZ-CG1 3.83Å; F70-H86 AromaticContact CD2-CE1 3.66Å; F70-H86 AromaticContact CE2-CE1 3.58Å
71	H	79.1	Confident	78.8	Confident	131 Å²	131	44.3 Å²	44.3	61%	0.606	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88	-6.6	174.1	-67.1	148.2	0	0	0	114.4	Q67 S73	Q67-H71 VanDerWaalsContact CG-ND1 3.26Å; Q67-H71 WeakPolarHBondContact CG-ND1 3.25Å; Q67-H71 WeakPolarHBondContact O-CB 3.37Å; Q67-H71 PolarHBondContact O-N 3.45Å; Q67-H71 PolarHBondContact O-ND1 2.85Å; H71-S73 PolarHBondContact O-N 3.49Å
72	F	73.9	Confident	78.7	Confident	70 Å²	70	43.8 Å²	43.8	31%	0.307	25%	0.245	S	C	.	.	S	Bend	trans	-62.2	129.9	173.2	-166.1	-103	0	0	0	109.4	S68 F69 E74 M75 S76 S249 V253	S68-F72 PolarHBondContact O-N 2.86Å; F69-F72 WeakPolarHBondContact O-CB 3.26Å; F69-F72 PolarHBondContact O-N 3.41Å; F72-E74 VanDerWaalsContact C-N 3.26Å; F72-E74 HydrophobicContact CD1-CB 4.24Å; F72-E74 WeakPolarHBondContact CD1-OE2 3.36Å; F72-E74 HydrophobicContact CE1-CB 4.31Å; F72-E74 VanDerWaalsContact CE1-CD 3.42Å; F72-E74 HydrophobicContact CE1-CG 4.4Å; F72-E74 WeakPolarHBondContact CE1-OE2 3.06Å; F72-E74 PolarHBondContact O-N 3.4Å; F72-M75 HydrophobicContact CB-CB 4.4Å; F72-M75 CarbonylContact O-C 3.58Å; F72-M75 WeakPolarHBondContact O-CA 3.48Å; F72-M75 PolarHBondContact O-N 3.17Å; F72-S76 PolarHBondContact O-N 3.17Å; F72-S249 WeakPolarHBondContact CE1-OG 3.43Å; F72-V253 HydrophobicContact CD2-CG2 4.48Å
73	S	73.2	Confident	78.8	Confident	86 Å²	86	43.8 Å²	43.8	60%	0.601	25%	0.245	S	C	*	.	H	α-helix	trans	-49.7	-42.4	-165.7	33.5	0	0	0	0	114.5	H71 A77	H71-S73 PolarHBondContact O-N 3.49Å; S73-A77 PolarHBondContact O-N 2.92Å
74	E	66.9	Low	79	Confident	87 Å²	87	42.9 Å²	42.9	41%	0.407	24%	0.24	S	C	.	.	H	α-helix	trans	-72.9	-33.8	-179.5	-68.1	89.7	141.5	0	0	112.2	F72 A246	F72-E74 VanDerWaalsContact C-N 3.26Å; F72-E74 HydrophobicContact CD1-CB 4.24Å; F72-E74 WeakPolarHBondContact CD1-OE2 3.36Å; F72-E74 HydrophobicContact CE1-CB 4.31Å; F72-E74 VanDerWaalsContact CE1-CD 3.42Å; F72-E74 HydrophobicContact CE1-CG 4.4Å; F72-E74 WeakPolarHBondContact CE1-OE2 3.06Å; F72-E74 PolarHBondContact O-N 3.4Å; E74-A246 HydrophobicContact CB-CB 4.1Å; E74-A246 WeakPolarHBondContact O-CB 3.43Å
75	M	68.7	Low	79.7	Confident	1 Å²	1	39.8 Å²	39.8	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-80.5	-33	177.1	-171.8	56.9	-157	0	0	111.5	F69 F70 F72 A77 I78 S79 F247	F69-M75 HydrophobicContact CD1-CG 4.18Å; F69-M75 HydrophobicContact CE1-CE 3.85Å; F69-M75 HydrophobicContact CE1-CG 3.82Å; F69-M75 HydrophobicContact CE1-SD 4.01Å; F69-M75 HydrophobicContact CE2-CG 4.42Å; F69-M75 HydrophobicContact CZ-CE 4.2Å; F69-M75 HydrophobicContact CZ-CG 3.95Å; F69-M75 HydrophobicContact CZ-SD 3.86Å; F69-M75 VanDerWaalsContact O-CB 3.27Å; F69-M75 WeakPolarHBondContact O-CB 3.42Å; F69-M75 WeakPolarHBondContact O-CG 3.33Å; F70-M75 HydrophobicContact CD1-CE 4.12Å; F70-M75 HydrophobicContact CE1-CE 3.87Å; F72-M75 HydrophobicContact CB-CB 4.4Å; F72-M75 CarbonylContact O-C 3.58Å; F72-M75 WeakPolarHBondContact O-CA 3.48Å; F72-M75 PolarHBondContact O-N 3.17Å; M75-A77 VanDerWaalsContact C-N 3.32Å; M75-A77 PolarHBondContact O-N 2.93Å; M75-I78 HydrophobicContact CE-CB 4.42Å; M75-I78 HydrophobicContact CE-CG2 4.05Å; M75-I78 CarbonylContact O-C 3.59Å; M75-I78 WeakPolarHBondContact O-CA 3.37Å; M75-I78 WeakPolarHBondContact O-CB 3.45Å; M75-I78 PolarHBondContact O-N 3.43Å; M75-I78 HydrophobicContact SD-CB 4.18Å; M75-I78 HydrophobicContact SD-CG2 4.27Å; M75-S79 WeakPolarHBondContact O-CB 3.38Å; M75-S79 PolarHBondContact O-N 3.41Å; M75-S79 PolarHBondContact O-OG 2.9Å; M75-F247 HydrophobicContact CE-CZ 4.36Å
76	S	74	Confident	80.4	Confident	41 Å²	41	40.1 Å²	40.1	29%	0.287	22%	0.221	S	C	.	.	H	α-helix	trans	-56.9	-44.6	174.4	177.4	0	0	0	0	111.5	F70 F72 I78 S79 D80	F70-S76 WeakPolarHBondContact O-CA 3.49Å; F70-S76 PolarHBondContact O-N 3.17Å; F72-S76 PolarHBondContact O-N 3.17Å; S76-I78 PolarHBondContact O-N 2.84Å; S76-S79 WeakPolarHBondContact CA-OG 3.39Å; S76-S79 PolarHBondContact O-N 2.77Å; S76-S79 PolarHBondContact O-OG 3.22Å; S76-D80 PolarHBondContact O-N 3.44Å; S76-D80 VanDerWaalsContact O-N 3.07Å
77	A	72.5	Confident	80.9	Confident	61 Å²	61	40 Å²	40	50%	0.504	22%	0.22	S	C	.	.	H	α-helix	trans	-63	-23.9	175	0	0	0	0	0	113.9	S73 M75	S73-A77 PolarHBondContact O-N 2.92Å; M75-A77 VanDerWaalsContact C-N 3.32Å; M75-A77 PolarHBondContact O-N 2.93Å
78	I	72.1	Confident	81.5	Confident	12 Å²	12	37.6 Å²	37.6	6%	0.062	21%	0.209	C	C	.	.	H	α-helix	trans	-87.2	-44.5	175.3	-67.5	-166	0	0	0	110.9	M75 S76 D80 K81 F82 L236 A246	M75-I78 HydrophobicContact CE-CB 4.42Å; M75-I78 HydrophobicContact CE-CG2 4.05Å; M75-I78 CarbonylContact O-C 3.59Å; M75-I78 WeakPolarHBondContact O-CA 3.37Å; M75-I78 WeakPolarHBondContact O-CB 3.45Å; M75-I78 PolarHBondContact O-N 3.43Å; M75-I78 HydrophobicContact SD-CB 4.18Å; M75-I78 HydrophobicContact SD-CG2 4.27Å; S76-I78 PolarHBondContact O-N 2.84Å; I78-D80 PolarHBondContact O-N 3.18Å; I78-K81 WeakPolarHBondContact O-CB 3.5Å; I78-K81 PolarHBondContact O-N 3.13Å; I78-F82 HydrophobicContact CG2-CD2 4.24Å; I78-F82 HydrophobicContact CG2-CE2 3.75Å; I78-F82 VanDerWaalsContact O-CD2 3.25Å; I78-F82 WeakPolarHBondContact O-CD2 3.38Å; I78-L236 HydrophobicContact CG2-CD1 3.82Å; I78-A246 HydrophobicContact CD1-CB 3.22Å; I78-A246 HydrophobicContact CG1-CB 4.02Å
79	S	77.5	Confident	82.3	Confident	18 Å²	18	35.4 Å²	35.4	13%	0.126	19%	0.194	C	C	.	.	H	α-helix	trans	-63.2	-32	-177.5	65.4	0	0	0	0	112	M75 S76 K81 F82	M75-S79 WeakPolarHBondContact O-CB 3.38Å; M75-S79 PolarHBondContact O-N 3.41Å; M75-S79 PolarHBondContact O-OG 2.9Å; S76-S79 WeakPolarHBondContact CA-OG 3.39Å; S76-S79 PolarHBondContact O-N 2.77Å; S76-S79 PolarHBondContact O-OG 3.22Å; S79-K81 PolarHBondContact O-N 3.02Å; S79-F82 PolarHBondContact O-N 2.57Å; S79-F82 VanDerWaalsContact O-O 3.14Å
80	D	83.8	Confident	83	Confident	107 Å²	107	35.5 Å²	35.5	57%	0.572	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-21	171.8	-82.8	-9.1	0	0	0	113.9	K49 S76 I78	K49-D80 PolarHBondContact NZ-O 3.28Å; S76-D80 PolarHBondContact O-N 3.44Å; S76-D80 VanDerWaalsContact O-N 3.07Å; I78-D80 PolarHBondContact O-N 3.18Å
81	K	83.4	Confident	83.4	Confident	84 Å²	84	35.8 Å²	35.8	37%	0.365	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-4.3	177.8	-58.6	179.5	-177.1	179.7	0	113.3	I78 S79 L236	I78-K81 WeakPolarHBondContact O-CB 3.5Å; I78-K81 PolarHBondContact O-N 3.13Å; S79-K81 PolarHBondContact O-N 3.02Å; K81-L236 HydrophobicContact CB-CD2 3.32Å; K81-L236 HydrophobicContact CD-CB 4.08Å; K81-L236 HydrophobicContact CD-CD2 3.54Å; K81-L236 HydrophobicContact CD-CG 4.33Å; K81-L236 HydrophobicContact CG-CD2 4.07Å; K81-L236 PolarHBondContact NZ-O 2.95Å
82	F	86.2	Confident	84	Confident	3 Å²	3	33.2 Å²	33.2	1%	0.013	19%	0.19	C	C	.	.	S	Bend	trans	-116.4	167.6	178.3	-65.1	-84.9	0	0	0	111	P50 I52 I78 S79 I136 I232 T235 L236	P50-F82 HydrophobicContact CB-CD1 3.84Å; P50-F82 HydrophobicContact CB-CE1 4.03Å; P50-F82 CarbonylContact O-C 3.49Å; P50-F82 VanDerWaalsContact O-CA 3.25Å; P50-F82 WeakPolarHBondContact O-CA 3.45Å; P50-F82 WeakPolarHBondContact O-CB 3.27Å; P50-F82 WeakPolarHBondContact O-CD1 3.23Å; I52-F82 HydrophobicContact CD1-CB 3.78Å; I52-F82 HydrophobicContact CD1-CD1 3.96Å; I52-F82 HydrophobicContact CD1-CD2 3.58Å; I52-F82 HydrophobicContact CD1-CE1 4.46Å; I52-F82 HydrophobicContact CD1-CE2 4.07Å; I52-F82 HydrophobicContact CD1-CG 3.51Å; I52-F82 HydrophobicContact CG1-CB 3.87Å; I52-F82 HydrophobicContact CG1-CD1 3.69Å; I52-F82 HydrophobicContact CG1-CD2 4.26Å; I52-F82 HydrophobicContact CG1-CE1 4.29Å; I52-F82 HydrophobicContact CG1-CG 3.69Å; I78-F82 HydrophobicContact CG2-CD2 4.24Å; I78-F82 HydrophobicContact CG2-CE2 3.75Å; I78-F82 VanDerWaalsContact O-CD2 3.25Å; I78-F82 WeakPolarHBondContact O-CD2 3.38Å; S79-F82 PolarHBondContact O-N 2.57Å; S79-F82 VanDerWaalsContact O-O 3.14Å; F82-I136 HydrophobicContact CD1-CD1 4.44Å; F82-I136 HydrophobicContact CE1-CD1 3.61Å; F82-I136 HydrophobicContact CE1-CG1 4.47Å; F82-I136 HydrophobicContact CZ-CD1 3.89Å; F82-I232 HydrophobicContact CZ-CG2 4.17Å; F82-T235 HydrophobicContact CE1-CG2 4.2Å; F82-L236 HydrophobicContact CD2-CD2 3.87Å; F82-L236 HydrophobicContact CE1-CD2 4.12Å; F82-L236 HydrophobicContact CE2-CD1 3.74Å; F82-L236 HydrophobicContact CE2-CD2 3.13Å; F82-L236 HydrophobicContact CE2-CG 3.76Å; F82-L236 HydrophobicContact CZ-CD1 3.92Å; F82-L236 HydrophobicContact CZ-CD2 3.27Å; F82-L236 HydrophobicContact CZ-CG 3.62Å
83	C	91.4	Very high	84.8	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	129.4	155.1	-172.5	0	0	0	0	107.8	V44 D46 P50 A51 I52 Y85	V44-C83 WeakPolarHBondContact O-CA 3.37Å; V44-C83 PolarHBondContact O-SG 3.06Å; D46-C83 WeakPolarHBondContact O-CB 3.31Å; P50-C83 PolarHBondContact O-N 2.96Å; A51-C83 CarbonylContact C-O 3.6Å; A51-C83 WeakPolarHBondContact CA-O 3.47Å; I52-C83 PolarHBondContact N-O 3.46Å; C83-Y85 HydrophobicContact CB-CE2 3.89Å; C83-Y85 VanDerWaalsContact SG-CZ 3.57Å
84	V	92.2	Very high	85.4	Confident	4 Å²	4	31.2 Å²	31.2	2%	0.024	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	126	-177.3	-166.8	0	0	0	0	109.4	V44 I52 T54 F70 H86	V44-V84 HydrophobicContact CB-CB 4.37Å; V44-V84 PolarHBondContact N-O 2.9Å; V44-V84 PolarHBondContact O-N 3.33Å; I52-V84 HydrophobicContact CB-CG1 4.31Å; I52-V84 HydrophobicContact CB-CG2 4.39Å; I52-V84 HydrophobicContact CG2-CG1 4.34Å; I52-V84 CarbonylContact O-C 3.57Å; I52-V84 WeakPolarHBondContact O-CA 3.44Å; T54-V84 HydrophobicContact CG2-CG1 3.84Å; F70-V84 HydrophobicContact CD1-CG2 4.28Å; F70-V84 HydrophobicContact CE1-CG1 4.02Å; F70-V84 HydrophobicContact CE1-CG2 3.96Å; F70-V84 HydrophobicContact CE2-CG1 4.27Å; F70-V84 HydrophobicContact CZ-CG1 3.83Å; V84-H86 WeakPolarHBondContact CG1-CE1 3.32Å; V84-H86 WeakPolarHBondContact CG1-NE2 3.3Å
85	Y	95.9	Very high	86.3	Confident	1 Å²	1	35 Å²	35	0%	0.004	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	101.6	179.3	-61.1	-92.2	0	0	0	108.5	V41 V43 A51 I52 L53 T54 C83 V87 F130 L132	V41-Y85 HydrophobicContact CG1-CD1 4.48Å; V43-Y85 HydrophobicContact CG1-CD1 4.16Å; V43-Y85 HydrophobicContact CG1-CE1 3.86Å; V43-Y85 HydrophobicContact CG2-CD1 3.92Å; V43-Y85 HydrophobicContact CG2-CE1 4.14Å; A51-Y85 HydrophobicContact CB-CD2 3.92Å; A51-Y85 HydrophobicContact CB-CE2 3.58Å; I52-Y85 PolarHBondContact O-N 2.81Å; L53-Y85 WeakPolarHBondContact CA-O 3.26Å; T54-Y85 PolarHBondContact N-O 2.88Å; C83-Y85 HydrophobicContact CB-CE2 3.89Å; C83-Y85 VanDerWaalsContact SG-CZ 3.57Å; Y85-V87 PolarHBondContact O-N 2.94Å; Y85-F130 HydrophobicContact CD1-CD1 4.18Å; Y85-F130 AromaticContact CD1-CD2 3.7Å; Y85-F130 HydrophobicContact CD1-CD2 3.7Å; Y85-F130 HydrophobicContact CD1-CE1 4.3Å; Y85-F130 AromaticContact CD1-CE2 3.85Å; Y85-F130 HydrophobicContact CD1-CE2 3.85Å; Y85-F130 AromaticContact CD1-CG 3.88Å; Y85-F130 HydrophobicContact CD1-CG 3.88Å; Y85-F130 HydrophobicContact CD1-CZ 4.14Å; Y85-F130 HydrophobicContact CE1-CB 3.9Å; Y85-F130 AromaticContact CE1-CD1 3.54Å; Y85-F130 HydrophobicContact CE1-CD1 3.54Å; Y85-F130 AromaticContact CE1-CD2 3.81Å; Y85-F130 HydrophobicContact CE1-CD2 3.81Å; Y85-F130 AromaticContact CE1-CE1 3.94Å; Y85-F130 HydrophobicContact CE1-CE1 3.94Å; Y85-F130 HydrophobicContact CE1-CE2 4.2Å; Y85-F130 AromaticContact CE1-CG 3.47Å; Y85-F130 HydrophobicContact CE1-CG 3.47Å; Y85-F130 VanDerWaalsContact CE1-CG 3.47Å; Y85-F130 HydrophobicContact CE1-CZ 4.25Å; Y85-L132 HydrophobicContact CD2-CD1 4.08Å; Y85-L132 HydrophobicContact CE2-CD1 4.09Å; Y85-L132 HydrophobicContact CE2-CD2 3.95Å; Y85-L132 HydrophobicContact CG-CD1 4.46Å
86	H	95.4	Very high	87.1	Confident	16 Å²	16	36.4 Å²	36.4	7%	0.074	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	99.8	-178	-70.9	-57.9	0	0	0	110.6	V41 Y42 T54 A62 F66 F70 V84	V41-H86 VanDerWaalsContact CA-O 3.31Å; V41-H86 WeakPolarHBondContact CA-O 3.3Å; Y42-H86 HydrophobicContact CD2-CB 4.45Å; Y42-H86 PolarHBondContact N-O 3.09Å; Y42-H86 WeakPolarHBondContact O-CB 3.44Å; Y42-H86 PolarHBondContact O-N 3.18Å; T54-H86 WeakPolarHBondContact OG1-CA 3.34Å; T54-H86 PolarHBondContact OG1-ND1 3.38Å; A62-H86 HydrophobicContact CB-CB 3.78Å; F66-H86 AromaticContact CD2-ND1 3.91Å; F70-H86 AromaticContact CD2-CE1 3.66Å; F70-H86 AromaticContact CE2-CE1 3.58Å; V84-H86 WeakPolarHBondContact CG1-CE1 3.32Å; V84-H86 WeakPolarHBondContact CG1-NE2 3.3Å
87	V	96.3	Very high	87.6	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	122.6	-179.7	-177.1	0	0	0	0	109.9	V39 V41 L53 T54 F55 H56 Y85 I126	V39-V87 HydrophobicContact CG1-CG1 4.17Å; V41-V87 HydrophobicContact CG2-CG2 4.46Å; L53-V87 HydrophobicContact CD1-CG2 4.28Å; L53-V87 HydrophobicContact CD2-CG2 3.78Å; L53-V87 HydrophobicContact CG-CG2 3.89Å; T54-V87 WeakPolarHBondContact O-CB 3.45Å; T54-V87 PolarHBondContact O-N 3.42Å; F55-V87 HydrophobicContact CD2-CB 4.26Å; F55-V87 HydrophobicContact CD2-CG1 4.07Å; F55-V87 HydrophobicContact CE2-CG1 4Å; H56-V87 PolarHBondContact CD2-O 3.04Å; Y85-V87 PolarHBondContact O-N 2.94Å; V87-I126 HydrophobicContact CB-CD1 4.24Å; V87-I126 HydrophobicContact CG1-CD1 3.45Å; V87-I126 VanDerWaalsContact CG1-CD1 3.45Å; V87-I126 HydrophobicContact CG2-CD1 3.76Å; V87-I126 HydrophobicContact CG2-CG2 4.23Å
88	N	94.4	Very high	88	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-87.5	132.5	164.1	-64.8	-76.3	0	0	0	108.8	V39 C40 Y42 A62 E93	V39-N88 WeakPolarHBondContact CG1-O 3.12Å; C40-N88 HydrophobicContact CB-CB 4.45Å; C40-N88 WeakPolarHBondContact O-CB 3.34Å; C40-N88 PolarHBondContact O-N 3.41Å; C40-N88 PolarHBondContact O-ND2 3.28Å; Y42-N88 VanDerWaalsContact CE2-ND2 3.32Å; Y42-N88 WeakPolarHBondContact CE2-ND2 3.48Å; A62-N88 WeakPolarHBondContact CB-OD1 3.39Å; A62-N88 PolarHBondContact N-OD1 3.49Å; N88-E93 HydrophobicContact CB-CB 4Å
89	A	93.1	Very high	88.4	Confident	6 Å²	6	47.2 Å²	47.2	5%	0.05	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-62	153.6	169.8	0	0	0	0	0	109.6	F55 H56 G91 Q92	F55-A89 HydrophobicContact CE1-CB 4.08Å; F55-A89 HydrophobicContact CZ-CB 4.1Å; H56-A89 PolarHBondContact NE2-N 3.1Å; A89-G91 PolarHBondContact O-N 2.89Å; A89-Q92 HydrophobicContact CB-CB 4.33Å; A89-Q92 HydrophobicContact CB-CG 3.94Å; A89-Q92 VanDerWaalsContact O-CB 3.32Å; A89-Q92 WeakPolarHBondContact O-CB 3.49Å; A89-Q92 PolarHBondContact O-N 3.37Å
90	P	91.9	Very high	88	Confident	4 Å²	4	49.4 Å²	49.4	3%	0.026	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	125.6	-176.4	-28	33.8	0	0	0	112.8	V39 Q92 Y113 P114 L119 I122	V39-P90 HydrophobicContact CG2-CG 4.12Å; P90-Q92 VanDerWaalsContact C-N 3.26Å; P90-Q92 PolarHBondContact O-N 3.45Å; P90-Y113 HydrophobicContact CB-CE2 4.11Å; P90-Y113 VanDerWaalsContact O-CE2 3.28Å; P90-Y113 WeakPolarHBondContact O-CE2 3.32Å; P90-Y113 PolarHBondContact O-OH 3.02Å; P90-P114 HydrophobicContact CG-CG 4.31Å; P90-L119 HydrophobicContact CG-CD2 4.49Å; P90-I122 HydrophobicContact CG-CD1 3.63Å
91	G	88.9	Confident	86.7	Confident	20 Å²	20	48.8 Å²	48.8	21%	0.206	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.1	20	178.9	0	0	0	0	0	114.4	A89 E93	A89-G91 PolarHBondContact O-N 2.89Å; G91-E93 WeakPolarHBondContact CA-OE2 3.32Å; G91-E93 PolarHBondContact N-OE2 3.37Å
92	Q	91.8	Very high	85.3	Confident	77 Å²	77	52 Å²	52	36%	0.36	28%	0.281	S	S	.	.			trans	-112.5	0.4	176.8	-57.9	-61.6	-76	0	0	112.5	S61 A89 P90	S61-Q92 WeakPolarHBondContact CB-O 3.33Å; A89-Q92 HydrophobicContact CB-CB 4.33Å; A89-Q92 HydrophobicContact CB-CG 3.94Å; A89-Q92 VanDerWaalsContact O-CB 3.32Å; A89-Q92 WeakPolarHBondContact O-CB 3.49Å; A89-Q92 PolarHBondContact O-N 3.37Å; P90-Q92 VanDerWaalsContact C-N 3.26Å; P90-Q92 PolarHBondContact O-N 3.45Å
93	E	90.7	Very high	83.5	Confident	31 Å²	31	60.1 Å²	60.1	15%	0.145	31%	0.313	C	S	.	.	S	Bend	trans	-67.4	160.5	171	69.8	-85.1	-156.1	0	0	112.3	C40 N88 G91 D95 A96	C40-E93 HydrophobicContact CB-CB 3.76Å; C40-E93 HydrophobicContact CB-CG 3.91Å; N88-E93 HydrophobicContact CB-CB 4Å; G91-E93 WeakPolarHBondContact CA-OE2 3.32Å; G91-E93 PolarHBondContact N-OE2 3.37Å; E93-D95 PolarHBondContact O-N 3.43Å; E93-A96 HydrophobicContact CG-CB 3.83Å; E93-A96 WeakPolarHBondContact O-CB 3.48Å; E93-A96 PolarHBondContact O-N 3.4Å
94	E	85.6	Confident	81.3	Confident	82 Å²	82	64.1 Å²	64.1	38%	0.383	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	135.5	172	-69.3	173.5	-158.3	0	0	109.9	N63 A96	N63-E94 PolarHBondContact ND2-OE1 2.89Å; E94-A96 PolarHBondContact O-N 2.99Å
95	D	85.8	Confident	79.7	Confident	166 Å²	166	73.9 Å²	73.9	89%	0.888	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	27.1	-177.4	-53.2	-43.3	0	0	0	114.7	E93 E97	E93-D95 PolarHBondContact O-N 3.43Å; D95-E97 PolarHBondContact O-N 2.85Å
96	A	85.3	Confident	77.9	Confident	32 Å²	32	80 Å²	80	26%	0.264	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-57.5	127.9	174.2	0	0	0	0	0	111.6	E93 E94	E93-A96 HydrophobicContact CG-CB 3.83Å; E93-A96 WeakPolarHBondContact O-CB 3.48Å; E93-A96 PolarHBondContact O-N 3.4Å; E94-A96 PolarHBondContact O-N 2.99Å
97	E	85.1	Confident	76.2	Confident	161 Å²	161	86.9 Å²	86.9	75%	0.752	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-64.2	144	169.3	-71.2	-67.6	161.3	0	0	110	D95 L99	D95-E97 PolarHBondContact O-N 2.85Å; E97-L99 PolarHBondContact O-N 2.85Å
98	P	80.4	Confident	74.4	Confident	110 Å²	110	91.1 Å²	91.1	71%	0.714	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-51.5	129.8	173.7	-25.8	34.2	0	0	0	110.8	A100	P98-A100 PolarHBondContact O-N 2.84Å
99	L	81	Confident	72.8	Confident	69 Å²	69	95.7 Å²	95.7	36%	0.361	50%	0.498	S	S	.	.			trans	-57.5	113.1	179.9	-65.6	171.7	0	0	0	109	E97 E101 Y111 Y113	E97-L99 PolarHBondContact O-N 2.85Å; L99-E101 PolarHBondContact O-N 3.05Å; L99-Y111 HydrophobicContact CB-CD1 4Å; L99-Y111 HydrophobicContact CB-CD2 4.45Å; L99-Y111 HydrophobicContact CB-CE1 4.49Å; L99-Y111 HydrophobicContact CB-CG 3.97Å; L99-Y111 HydrophobicContact CD1-CD1 3.77Å; L99-Y111 HydrophobicContact CD1-CE1 3.66Å; L99-Y111 HydrophobicContact CD2-CE1 4.49Å; L99-Y111 HydrophobicContact CG-CD1 4.39Å; L99-Y111 HydrophobicContact CG-CE1 4.44Å; L99-Y113 HydrophobicContact CD1-CD2 3.86Å; L99-Y113 HydrophobicContact CD1-CE2 3.9Å
100	A	68.9	Low	71.7	Confident	65 Å²	65	100.1 Å²	100.1	54%	0.537	53%	0.525	S	S	.	.			trans	-58.5	128.3	-163.2	0	0	0	0	0	112.7	P98 K102	P98-A100 PolarHBondContact O-N 2.84Å; A100-K102 PolarHBondContact O-N 3.32Å; A100-K102 VanDerWaalsContact O-N 3.16Å
101	E	57.7	Low	71	Confident	93 Å²	93	103.4 Å²	103.4	44%	0.435	54%	0.537	S	S	.	.			trans	-62.1	109	153.9	-71.1	178.9	-176.3	0	0	107.5	L99 Y103 I108	L99-E101 PolarHBondContact O-N 3.05Å; E101-Y103 HydrophobicContact CB-CE2 4.33Å; E101-Y103 WeakPolarHBondContact O-CD2 3.44Å; E101-Y103 PolarHBondContact O-N 3.03Å; E101-Y103 VanDerWaalsContact O-N 3.1Å; E101-Y103 PolarHBondContact OE2-OH 3.32Å; E101-I108 HydrophobicContact CB-CG2 4.05Å; E101-I108 HydrophobicContact CG-CG2 3.89Å
102	K	54	Low	70.8	Confident	151 Å²	151	108 Å²	108	66%	0.657	56%	0.561	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-74.8	106.8	174.7	-79.8	-173.3	-179.6	177.7	0	107.8	A100 T104 L109	A100-K102 PolarHBondContact O-N 3.32Å; A100-K102 VanDerWaalsContact O-N 3.16Å; K102-T104 PolarHBondContact O-N 2.81Å; K102-L109 HydrophobicContact CB-CB 4.31Å; K102-L109 PolarHBondContact N-O 3.1Å; K102-L109 WeakPolarHBondContact O-CB 3.41Å; K102-L109 PolarHBondContact O-N 2.86Å; K102-L109 VanDerWaalsContact O-N 3.15Å
103	Y	47.8	Very low	70.6	Confident	175 Å²	175	108.9 Å²	108.9	69%	0.686	56%	0.562	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-69.7	112.3	167.1	-66.1	-85.5	0	0	0	108.6	E101 I108	E101-Y103 HydrophobicContact CB-CE2 4.33Å; E101-Y103 WeakPolarHBondContact O-CD2 3.44Å; E101-Y103 PolarHBondContact O-N 3.03Å; E101-Y103 VanDerWaalsContact O-N 3.1Å; E101-Y103 PolarHBondContact OE2-OH 3.32Å; Y103-I108 HydrophobicContact CE1-CG1 4.06Å
104	T	45.7	Very low	70.7	Confident	83 Å²	83	107.7 Å²	107.7	51%	0.509	56%	0.557	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-130.4	120.4	167.1	-62.3	0	0	0	0	108	K102 S106 F107	K102-T104 PolarHBondContact O-N 2.81Å; T104-S106 PolarHBondContact O-N 3.4Å; T104-F107 PolarHBondContact N-O 3.38Å; T104-F107 PolarHBondContact O-N 2.82Å; T104-F107 VanDerWaalsContact O-N 3.14Å
105	F	58.8	Low	70.9	Confident	210 Å²	210	107.6 Å²	107.6	92%	0.921	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	47.6	58	168.2	-152.2	-96.6	0	0	0	114.4	F107	F105-F107 PolarHBondContact O-N 2.81Å; F105-F107 VanDerWaalsContact O-N 3.17Å
106	S	58.2	Low	70.9	Confident	130 Å²	130	102.1 Å²	102.1	91%	0.909	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.2	12.1	176	-165.5	0	0	0	0	116.5	T104	T104-S106 PolarHBondContact O-N 3.4Å
107	F	59.3	Low	70.9	Confident	159 Å²	159	103.5 Å²	103.5	70%	0.697	53%	0.534	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.4	136.9	169.4	-124.4	-102.5	0	0	0	110.5	T104 F105 L109	T104-F107 PolarHBondContact N-O 3.38Å; T104-F107 PolarHBondContact O-N 2.82Å; T104-F107 VanDerWaalsContact O-N 3.14Å; F105-F107 PolarHBondContact O-N 2.81Å; F105-F107 VanDerWaalsContact O-N 3.17Å; F107-L109 PolarHBondContact O-N 2.77Å
108	I	58.9	Low	71.2	Confident	90 Å²	90	99 Å²	99	46%	0.462	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	107.8	170.7	-65.6	169.5	0	0	0	106.4	E101 Y103 T110	E101-I108 HydrophobicContact CB-CG2 4.05Å; E101-I108 HydrophobicContact CG-CG2 3.89Å; Y103-I108 HydrophobicContact CE1-CG1 4.06Å; I108-T110 HydrophobicContact CG2-CG2 4.25Å; I108-T110 PolarHBondContact O-N 3.2Å
109	L	60.6	Low	71.8	Confident	95 Å²	95	94.3 Å²	94.3	50%	0.497	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	101.9	165.3	-65.3	173	0	0	0	107.2	K102 F107 Y111	K102-L109 HydrophobicContact CB-CB 4.31Å; K102-L109 PolarHBondContact N-O 3.1Å; K102-L109 WeakPolarHBondContact O-CB 3.41Å; K102-L109 PolarHBondContact O-N 2.86Å; K102-L109 VanDerWaalsContact O-N 3.15Å; F107-L109 PolarHBondContact O-N 2.77Å; L109-Y111 PolarHBondContact O-N 2.6Å
110	T	69.6	Low	72.2	Confident	99 Å²	99	91.1 Å²	91.1	61%	0.607	47%	0.466	S	S	*	.			trans	-61	133.3	171	50.5	0	0	0	0	109.2	I108 V112	I108-T110 HydrophobicContact CG2-CG2 4.25Å; I108-T110 PolarHBondContact O-N 3.2Å; T110-V112 PolarHBondContact O-N 2.78Å
111	Y	77.5	Confident	73.3	Confident	73 Å²	73	91.5 Å²	91.5	29%	0.286	46%	0.459	S	S	.	.			trans	-55.4	124.3	172.3	179.3	-93.2	0	0	0	109.8	F36 L99 L109 Y113	F36-Y111 PolarHBondContact O-OH 3.35Å; L99-Y111 HydrophobicContact CB-CD1 4Å; L99-Y111 HydrophobicContact CB-CD2 4.45Å; L99-Y111 HydrophobicContact CB-CE1 4.49Å; L99-Y111 HydrophobicContact CB-CG 3.97Å; L99-Y111 HydrophobicContact CD1-CD1 3.77Å; L99-Y111 HydrophobicContact CD1-CE1 3.66Å; L99-Y111 HydrophobicContact CD2-CE1 4.49Å; L99-Y111 HydrophobicContact CG-CD1 4.39Å; L99-Y111 HydrophobicContact CG-CE1 4.44Å; L109-Y111 PolarHBondContact O-N 2.6Å; Y111-Y113 HydrophobicContact CD1-CD2 4.35Å; Y111-Y113 AromaticContact CE1-CD2 3.8Å; Y111-Y113 HydrophobicContact CE1-CD2 3.8Å; Y111-Y113 HydrophobicContact CE1-CG 4.4Å; Y111-Y113 PolarHBondContact O-N 2.83Å
112	V	84.4	Confident	75	Confident	118 Å²	118	87.1 Å²	87.1	72%	0.715	44%	0.439	S	S	*	.			trans	-86.2	108.5	174.7	-178.8	0	0	0	0	107.3	T110	T110-V112 PolarHBondContact O-N 2.78Å
113	Y	88.2	Confident	76.9	Confident	94 Å²	94	79.9 Å²	79.9	37%	0.369	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-67.1	139.8	178.8	-159.2	-92.8	0	0	0	111.2	P90 L99 Y111 L119	P90-Y113 HydrophobicContact CB-CE2 4.11Å; P90-Y113 VanDerWaalsContact O-CE2 3.28Å; P90-Y113 WeakPolarHBondContact O-CE2 3.32Å; P90-Y113 PolarHBondContact O-OH 3.02Å; L99-Y113 HydrophobicContact CD1-CD2 3.86Å; L99-Y113 HydrophobicContact CD1-CE2 3.9Å; Y111-Y113 HydrophobicContact CD1-CD2 4.35Å; Y111-Y113 AromaticContact CE1-CD2 3.8Å; Y111-Y113 HydrophobicContact CE1-CD2 3.8Å; Y111-Y113 HydrophobicContact CE1-CG 4.4Å; Y111-Y113 PolarHBondContact O-N 2.83Å; Y113-L119 HydrophobicContact CE1-CD2 4.37Å
114	P	90.9	Very high	79	Confident	7 Å²	7	74.7 Å²	74.7	5%	0.045	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-59.8	141	-180	-20.4	30.5	0	0	0	112.3	F36 P90 E118 L119 I122	F36-P114 HydrophobicContact CB-CG 3.75Å; F36-P114 HydrophobicContact CD1-CB 4.06Å; F36-P114 HydrophobicContact CD1-CG 3.65Å; F36-P114 HydrophobicContact CD2-CG 4.27Å; F36-P114 HydrophobicContact CE1-CB 4.26Å; F36-P114 HydrophobicContact CE1-CG 4.34Å; F36-P114 HydrophobicContact CG-CB 4.21Å; F36-P114 HydrophobicContact CG-CG 3.61Å; P90-P114 HydrophobicContact CG-CG 4.31Å; P114-E118 HydrophobicContact CB-CB 3.86Å; P114-L119 HydrophobicContact CB-CD2 3.88Å; P114-L119 HydrophobicContact CB-CG 4.14Å; P114-L119 HydrophobicContact CG-CD2 4.17Å; P114-I122 HydrophobicContact CG-CD1 4.05Å
115	T	91	Very high	81.3	Confident	79 Å²	79	72.3 Å²	72.3	49%	0.485	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-67.2	166.8	167.7	63.2	0	0	0	0	111.3	D117 E118 L119	T115-D117 PolarHBondContact O-N 3.37Å; T115-E118 WeakPolarHBondContact CB-OE2 3.38Å; T115-E118 VanDerWaalsContact CG2-OE2 3.32Å; T115-E118 WeakPolarHBondContact CG2-OE2 3.08Å; T115-E118 PolarHBondContact N-OE2 3.04Å; T115-E118 PolarHBondContact O-N 3.48Å; T115-E118 VanDerWaalsContact O-N 3.11Å; T115-E118 VanDerWaalsContact OG1-CD 3.32Å; T115-E118 VanDerWaalsContact OG1-CG 3.3Å; T115-E118 WeakPolarHBondContact OG1-CG 3.32Å; T115-E118 PolarHBondContact OG1-N 3Å; T115-E118 PolarHBondContact OG1-OE2 3.21Å; T115-L119 WeakPolarHBondContact O-CG 3.29Å; T115-L119 PolarHBondContact O-N 3.14Å
116	M	85.4	Confident	83	Confident	52 Å²	52	62.3 Å²	62.3	26%	0.256	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-29.3	179.2	-66.1	-60.9	-75.9	0	0	113.9	L119 A142 N145 V146	M116-L119 HydrophobicContact SD-CD1 4Å; M116-A142 HydrophobicContact CE-CB 4.01Å; M116-A142 VanDerWaalsContact CE-O 3.31Å; M116-A142 WeakPolarHBondContact CE-O 3.44Å; M116-N145 HydrophobicContact CE-CB 3.76Å; M116-N145 WeakPolarHBondContact CE-ND2 3.18Å; M116-V146 HydrophobicContact CE-CG2 3.65Å; M116-V146 HydrophobicContact SD-CG2 4.27Å
117	D	86	Confident	84.7	Confident	60 Å²	60	56.6 Å²	56.6	32%	0.321	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-41.2	176.2	-64.6	-42.1	0	0	0	110.5	T115 L119 G120 D121 R149	T115-D117 PolarHBondContact O-N 3.37Å; D117-L119 PolarHBondContact O-N 3.22Å; D117-G120 VanDerWaalsContact O-CA 3.27Å; D117-G120 WeakPolarHBondContact O-CA 3.1Å; D117-G120 PolarHBondContact O-N 3.39Å; D117-D121 PolarHBondContact O-N 2.82Å; D117-R149 VanDerWaalsContact OD1-CD 3.29Å; D117-R149 WeakPolarHBondContact OD1-CD 3.21Å; D117-R149 IonicContact OD1-CZ 2.74Å; D117-R149 IonicContact OD1-NE 2.66Å; D117-R149 IonicContact OD1-NH1 3.29Å; D117-R149 PolarHBondContact OD1-NH1 2.9Å; D117-R149 IonicContact OD2-NH1 2.89Å; D117-R149 PolarHBondContact OD2-NH1 2.89Å
118	E	91.2	Very high	86.2	Confident	68 Å²	68	53.8 Å²	53.8	32%	0.318	29%	0.288	S	S	.	.	H	α-helix	trans	-68.2	-29.9	175.6	-71.8	168.6	141.6	0	0	113.2	F36 P114 T115 G120 D121 I122	F36-E118 HydrophobicContact CE1-CB 4.12Å; F36-E118 HydrophobicContact CE1-CG 4.25Å; F36-E118 HydrophobicContact CE2-CB 3.92Å; F36-E118 HydrophobicContact CE2-CG 4.47Å; F36-E118 HydrophobicContact CZ-CB 3.49Å; F36-E118 VanDerWaalsContact CZ-CB 3.49Å; F36-E118 HydrophobicContact CZ-CG 3.66Å; P114-E118 HydrophobicContact CB-CB 3.86Å; T115-E118 WeakPolarHBondContact CB-OE2 3.38Å; T115-E118 VanDerWaalsContact CG2-OE2 3.32Å; T115-E118 WeakPolarHBondContact CG2-OE2 3.08Å; T115-E118 PolarHBondContact N-OE2 3.04Å; T115-E118 PolarHBondContact O-N 3.48Å; T115-E118 VanDerWaalsContact O-N 3.11Å; T115-E118 VanDerWaalsContact OG1-CD 3.32Å; T115-E118 VanDerWaalsContact OG1-CG 3.3Å; T115-E118 WeakPolarHBondContact OG1-CG 3.32Å; T115-E118 PolarHBondContact OG1-N 3Å; T115-E118 PolarHBondContact OG1-OE2 3.21Å; E118-G120 PolarHBondContact O-N 3.4Å; E118-D121 WeakPolarHBondContact O-CB 3.3Å; E118-D121 PolarHBondContact O-N 3.34Å; E118-I122 PolarHBondContact O-N 2.92Å; E118-I122 VanDerWaalsContact O-N 3.16Å
119	L	92.2	Very high	88	Confident	10 Å²	10	53.9 Å²	53.9	5%	0.052	29%	0.287	C	S	.	.	H	α-helix	trans	-60.8	-29.5	166.3	-70.9	179	0	0	0	111.4	F55 P90 Y113 P114 T115 M116 D117 D121 I122 V123 V146	F55-L119 HydrophobicContact CZ-CB 4.32Å; F55-L119 HydrophobicContact CZ-CD1 4.35Å; F55-L119 HydrophobicContact CZ-CD2 4.33Å; P90-L119 HydrophobicContact CG-CD2 4.49Å; Y113-L119 HydrophobicContact CE1-CD2 4.37Å; P114-L119 HydrophobicContact CB-CD2 3.88Å; P114-L119 HydrophobicContact CB-CG 4.14Å; P114-L119 HydrophobicContact CG-CD2 4.17Å; T115-L119 WeakPolarHBondContact O-CG 3.29Å; T115-L119 PolarHBondContact O-N 3.14Å; M116-L119 HydrophobicContact SD-CD1 4Å; D117-L119 PolarHBondContact O-N 3.22Å; L119-D121 VanDerWaalsContact C-N 3.35Å; L119-I122 HydrophobicContact CD2-CD1 3.98Å; L119-I122 WeakPolarHBondContact O-CB 3.4Å; L119-I122 PolarHBondContact O-N 3.29Å; L119-V123 PolarHBondContact O-N 2.93Å; L119-V146 HydrophobicContact CB-CG1 3.92Å; L119-V146 HydrophobicContact CB-CG2 3.73Å; L119-V146 HydrophobicContact CD1-CG2 3.85Å; L119-V146 HydrophobicContact CG-CG2 4.47Å
120	G	91.1	Very high	89.6	Confident	3 Å²	3	50.5 Å²	50.5	3%	0.031	27%	0.268	C	S	.	.	H	α-helix	trans	-64.8	-38.8	171.3	0	0	0	0	0	112.1	D117 E118 I122 V123 I124	D117-G120 VanDerWaalsContact O-CA 3.27Å; D117-G120 WeakPolarHBondContact O-CA 3.1Å; D117-G120 PolarHBondContact O-N 3.39Å; E118-G120 PolarHBondContact O-N 3.4Å; G120-I122 VanDerWaalsContact C-N 3.31Å; G120-I122 PolarHBondContact O-N 2.78Å; G120-V123 WeakPolarHBondContact O-CB 3.35Å; G120-V123 PolarHBondContact O-N 3.26Å; G120-V123 VanDerWaalsContact O-N 3.13Å; G120-I124 WeakPolarHBondContact O-CG1 3.24Å; G120-I124 PolarHBondContact O-N 3.46Å
121	D	91.1	Very high	90.7	Very high	72 Å²	72	52.6 Å²	52.6	39%	0.385	27%	0.269	S	S	.	.	H	α-helix	trans	-65.7	-34.4	175.8	-64.1	-29.9	0	0	0	112.1	D117 E118 L119 V123 I124 A125	D117-D121 PolarHBondContact O-N 2.82Å; E118-D121 WeakPolarHBondContact O-CB 3.3Å; E118-D121 PolarHBondContact O-N 3.34Å; L119-D121 VanDerWaalsContact C-N 3.35Å; D121-V123 VanDerWaalsContact C-N 3.32Å; D121-V123 PolarHBondContact O-N 2.96Å; D121-I124 WeakPolarHBondContact O-CB 3.33Å; D121-I124 PolarHBondContact O-N 3.2Å; D121-A125 PolarHBondContact O-N 2.85Å
122	I	94	Very high	91.2	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-59.4	-44.8	170.9	-69.2	178.3	0	0	0	110.6	T34 F36 V39 P90 P114 E118 L119 G120 I124 A125 I126	T34-I122 HydrophobicContact CG2-CG2 4.27Å; F36-I122 HydrophobicContact CB-CD1 4.05Å; F36-I122 HydrophobicContact CD2-CD1 3.87Å; F36-I122 HydrophobicContact CD2-CG1 3.62Å; F36-I122 HydrophobicContact CE2-CG1 4.34Å; F36-I122 HydrophobicContact CG-CD1 4.25Å; F36-I122 HydrophobicContact CG-CG1 4.45Å; V39-I122 HydrophobicContact CB-CG2 4.38Å; V39-I122 HydrophobicContact CG1-CG2 4.14Å; V39-I122 HydrophobicContact CG2-CD1 4.28Å; V39-I122 HydrophobicContact CG2-CG2 3.91Å; P90-I122 HydrophobicContact CG-CD1 3.63Å; P114-I122 HydrophobicContact CG-CD1 4.05Å; E118-I122 PolarHBondContact O-N 2.92Å; E118-I122 VanDerWaalsContact O-N 3.16Å; L119-I122 HydrophobicContact CD2-CD1 3.98Å; L119-I122 WeakPolarHBondContact O-CB 3.4Å; L119-I122 PolarHBondContact O-N 3.29Å; G120-I122 VanDerWaalsContact C-N 3.31Å; G120-I122 PolarHBondContact O-N 2.78Å; I122-I124 VanDerWaalsContact C-N 3.3Å; I122-I124 PolarHBondContact O-N 2.87Å; I122-A125 PolarHBondContact O-N 3.34Å; I122-I126 HydrophobicContact CG2-CD1 3.75Å; I122-I126 HydrophobicContact CG2-CG1 4.47Å; I122-I126 VanDerWaalsContact O-CG1 3.3Å; I122-I126 WeakPolarHBondContact O-CG1 3.32Å; I122-I126 PolarHBondContact O-N 3.36Å
123	V	93.7	Very high	91.1	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-62.6	-38.8	177	176.8	0	0	0	0	111.2	L53 F55 L119 G120 D121 I126 A127 F135 V146 L147 L150	L53-V123 HydrophobicContact CD1-CG1 3.93Å; L53-V123 HydrophobicContact CD2-CG1 3.76Å; L53-V123 HydrophobicContact CD2-CG2 4.47Å; F55-V123 HydrophobicContact CD2-CG2 3.55Å; F55-V123 HydrophobicContact CE2-CG2 3.69Å; L119-V123 PolarHBondContact O-N 2.93Å; G120-V123 WeakPolarHBondContact O-CB 3.35Å; G120-V123 PolarHBondContact O-N 3.26Å; G120-V123 VanDerWaalsContact O-N 3.13Å; D121-V123 VanDerWaalsContact C-N 3.32Å; D121-V123 PolarHBondContact O-N 2.96Å; V123-I126 PolarHBondContact O-N 2.83Å; V123-A127 WeakPolarHBondContact O-CB 3.38Å; V123-A127 PolarHBondContact O-N 2.89Å; V123-F135 HydrophobicContact CG1-CE2 4.4Å; V123-F135 HydrophobicContact CG1-CZ 4.11Å; V123-V146 HydrophobicContact CG2-CG1 4.13Å; V123-L147 HydrophobicContact CG1-CD2 4Å; V123-L147 HydrophobicContact CG2-CD2 4.35Å; V123-L150 HydrophobicContact CB-CD2 3.85Å; V123-L150 HydrophobicContact CG1-CD2 3.44Å; V123-L150 VanDerWaalsContact CG1-CD2 3.44Å
124	I	91.4	Very high	90.6	Very high	65 Å²	65	50.9 Å²	50.9	33%	0.333	26%	0.263	S	S	.	.	H	α-helix	trans	-62	-46.5	174	-64.2	171.3	0	0	0	110.7	G120 D121 I122 I126 A127 D128 L150	G120-I124 WeakPolarHBondContact O-CG1 3.24Å; G120-I124 PolarHBondContact O-N 3.46Å; D121-I124 WeakPolarHBondContact O-CB 3.33Å; D121-I124 PolarHBondContact O-N 3.2Å; I122-I124 VanDerWaalsContact C-N 3.3Å; I122-I124 PolarHBondContact O-N 2.87Å; I124-I126 VanDerWaalsContact C-N 3.31Å; I124-I126 PolarHBondContact O-N 3.27Å; I124-A127 PolarHBondContact O-N 3.42Å; I124-D128 PolarHBondContact O-N 3.21Å; I124-L150 HydrophobicContact CD1-CD1 3.51Å; I124-L150 HydrophobicContact CG1-CD1 3.38Å; I124-L150 HydrophobicContact CG1-CD2 4.37Å
125	A	93.3	Very high	90.3	Very high	34 Å²	34	51.1 Å²	51.1	28%	0.281	26%	0.264	S	S	.	.	H	α-helix	trans	-61.3	-40.2	179.2	0	0	0	0	0	111.8	T34 D121 I122 D128 H129	T34-A125 HydrophobicContact CG2-CB 4.1Å; D121-A125 PolarHBondContact O-N 2.85Å; I122-A125 PolarHBondContact O-N 3.34Å; A125-D128 PolarHBondContact O-N 3.23Å; A125-H129 WeakPolarHBondContact O-CB 3.44Å; A125-H129 PolarHBondContact O-N 2.69Å
126	I	95.7	Very high	89.9	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-65.1	-46.4	174.8	-69.4	167	0	0	0	110.8	V32 V39 V41 L53 V87 I122 V123 I124 D128 H129 F130	V32-I126 HydrophobicContact CB-CG1 4.28Å; V32-I126 HydrophobicContact CG1-CG1 4.15Å; V32-I126 HydrophobicContact CG2-CG1 4.44Å; V39-I126 HydrophobicContact CG1-CD1 4.01Å; V41-I126 HydrophobicContact CG2-CD1 3.81Å; V41-I126 HydrophobicContact CG2-CG1 4.09Å; V41-I126 HydrophobicContact CG2-CG2 4.08Å; L53-I126 HydrophobicContact CD1-CG2 4.11Å; V87-I126 HydrophobicContact CB-CD1 4.24Å; V87-I126 HydrophobicContact CG1-CD1 3.45Å; V87-I126 VanDerWaalsContact CG1-CD1 3.45Å; V87-I126 HydrophobicContact CG2-CD1 3.76Å; V87-I126 HydrophobicContact CG2-CG2 4.23Å; I122-I126 HydrophobicContact CG2-CD1 3.75Å; I122-I126 HydrophobicContact CG2-CG1 4.47Å; I122-I126 VanDerWaalsContact O-CG1 3.3Å; I122-I126 WeakPolarHBondContact O-CG1 3.32Å; I122-I126 PolarHBondContact O-N 3.36Å; V123-I126 PolarHBondContact O-N 2.83Å; I124-I126 VanDerWaalsContact C-N 3.31Å; I124-I126 PolarHBondContact O-N 3.27Å; I126-D128 VanDerWaalsContact C-N 3.3Å; I126-D128 PolarHBondContact O-N 3.04Å; I126-H129 WeakPolarHBondContact O-CB 3.35Å; I126-H129 PolarHBondContact O-N 2.79Å; I126-F130 HydrophobicContact CG2-CD2 3.86Å; I126-F130 HydrophobicContact CG2-CE2 3.94Å; I126-F130 VanDerWaalsContact O-CD2 3.3Å; I126-F130 WeakPolarHBondContact O-CD2 3.36Å; I126-F130 PolarHBondContact O-N 2.9Å; I126-F130 VanDerWaalsContact O-N 3.1Å
127	A	92.2	Very high	89.9	Confident	9 Å²	9	45.4 Å²	45.4	7%	0.074	23%	0.231	C	C	.	.	H	α-helix	trans	-60.1	-40.8	177	0	0	0	0	0	111.6	V123 I124 K131 L132 F135	V123-A127 WeakPolarHBondContact O-CB 3.38Å; V123-A127 PolarHBondContact O-N 2.89Å; I124-A127 PolarHBondContact O-N 3.42Å; A127-K131 PolarHBondContact O-N 2.89Å; A127-L132 HydrophobicContact CB-CB 4.27Å; A127-L132 PolarHBondContact O-N 3.02Å; A127-F135 HydrophobicContact CB-CD1 4.39Å; A127-F135 HydrophobicContact CB-CE1 3.82Å; A127-F135 HydrophobicContact CB-CZ 4.43Å
128	D	92.3	Very high	89.9	Confident	100 Å²	100	42.7 Å²	42.7	54%	0.535	22%	0.216	S	C	.	.	H	α-helix	trans	-68.8	-39.4	174.6	-177.8	50.7	0	0	0	112.4	I124 A125 I126 F130 K131	I124-D128 PolarHBondContact O-N 3.21Å; A125-D128 PolarHBondContact O-N 3.23Å; I126-D128 VanDerWaalsContact C-N 3.3Å; I126-D128 PolarHBondContact O-N 3.04Å; D128-F130 VanDerWaalsContact C-N 3.32Å; D128-F130 PolarHBondContact O-N 3.39Å; D128-K131 VanDerWaalsContact O-CD 3.25Å; D128-K131 WeakPolarHBondContact O-CD 3.27Å; D128-K131 WeakPolarHBondContact O-CE 3.42Å; D128-K131 PolarHBondContact O-N 3.41Å; D128-K131 PolarHBondContact O-NZ 3.02Å; D128-K131 IonicContact OD1-NZ 2.63Å; D128-K131 PolarHBondContact OD1-NZ 3.34Å; D128-K131 IonicContact OD2-NZ 3.06Å; D128-K131 PolarHBondContact OD2-NZ 2.88Å
129	H	95.5	Very high	89.5	Confident	93 Å²	93	39.5 Å²	39.5	43%	0.431	20%	0.201	S	C	.	.	H	α-helix	trans	-55.8	-47.9	177.1	-177.3	86.2	0	0	0	111.5	V32 A125 I126 K131	V32-H129 HydrophobicContact CG1-CB 3.69Å; V32-H129 HydrophobicContact CG2-CB 4.41Å; A125-H129 WeakPolarHBondContact O-CB 3.44Å; A125-H129 PolarHBondContact O-N 2.69Å; I126-H129 WeakPolarHBondContact O-CB 3.35Å; I126-H129 PolarHBondContact O-N 2.79Å; H129-K131 VanDerWaalsContact C-N 3.29Å; H129-K131 PolarHBondContact O-N 2.86Å
130	F	95.3	Very high	88.7	Confident	24 Å²	24	39.1 Å²	39.1	11%	0.105	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	4.6	177.9	-65.2	-69.6	0	0	0	114	V30 V32 V41 V43 Y85 I126 D128 L132	V30-F130 HydrophobicContact CB-CZ 4.01Å; V30-F130 HydrophobicContact CG1-CE1 4.32Å; V30-F130 HydrophobicContact CG1-CZ 3.95Å; V30-F130 HydrophobicContact CG2-CE1 4.4Å; V30-F130 HydrophobicContact CG2-CZ 4.29Å; V32-F130 HydrophobicContact CG2-CE2 3.94Å; V32-F130 HydrophobicContact CG2-CZ 4.23Å; V41-F130 HydrophobicContact CB-CE2 4.24Å; V41-F130 HydrophobicContact CB-CZ 4.45Å; V41-F130 HydrophobicContact CG1-CE2 3.99Å; V41-F130 HydrophobicContact CG1-CZ 4.35Å; V41-F130 HydrophobicContact CG2-CE2 4.39Å; V43-F130 HydrophobicContact CG2-CE1 3.88Å; V43-F130 HydrophobicContact CG2-CZ 3.71Å; Y85-F130 HydrophobicContact CD1-CD1 4.18Å; Y85-F130 AromaticContact CD1-CD2 3.7Å; Y85-F130 HydrophobicContact CD1-CD2 3.7Å; Y85-F130 HydrophobicContact CD1-CE1 4.3Å; Y85-F130 AromaticContact CD1-CE2 3.85Å; Y85-F130 HydrophobicContact CD1-CE2 3.85Å; Y85-F130 AromaticContact CD1-CG 3.88Å; Y85-F130 HydrophobicContact CD1-CG 3.88Å; Y85-F130 HydrophobicContact CD1-CZ 4.14Å; Y85-F130 HydrophobicContact CE1-CB 3.9Å; Y85-F130 AromaticContact CE1-CD1 3.54Å; Y85-F130 HydrophobicContact CE1-CD1 3.54Å; Y85-F130 AromaticContact CE1-CD2 3.81Å; Y85-F130 HydrophobicContact CE1-CD2 3.81Å; Y85-F130 AromaticContact CE1-CE1 3.94Å; Y85-F130 HydrophobicContact CE1-CE1 3.94Å; Y85-F130 HydrophobicContact CE1-CE2 4.2Å; Y85-F130 AromaticContact CE1-CG 3.47Å; Y85-F130 HydrophobicContact CE1-CG 3.47Å; Y85-F130 VanDerWaalsContact CE1-CG 3.47Å; Y85-F130 HydrophobicContact CE1-CZ 4.25Å; I126-F130 HydrophobicContact CG2-CD2 3.86Å; I126-F130 HydrophobicContact CG2-CE2 3.94Å; I126-F130 VanDerWaalsContact O-CD2 3.3Å; I126-F130 WeakPolarHBondContact O-CD2 3.36Å; I126-F130 PolarHBondContact O-N 2.9Å; I126-F130 VanDerWaalsContact O-N 3.1Å; D128-F130 VanDerWaalsContact C-N 3.32Å; D128-F130 PolarHBondContact O-N 3.39Å; F130-L132 VanDerWaalsContact C-N 3.25Å; F130-L132 HydrophobicContact CB-CD1 4.28Å; F130-L132 HydrophobicContact CB-CD2 3.92Å; F130-L132 HydrophobicContact CB-CG 3.8Å; F130-L132 PolarHBondContact O-N 2.69Å
131	K	92.7	Very high	88.2	Confident	142 Å²	142	40 Å²	40	62%	0.617	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.8	38	179.5	-53.6	-65.3	162.6	-143.8	0	113.5	A127 D128 H129 K133	A127-K131 PolarHBondContact O-N 2.89Å; D128-K131 VanDerWaalsContact O-CD 3.25Å; D128-K131 WeakPolarHBondContact O-CD 3.27Å; D128-K131 WeakPolarHBondContact O-CE 3.42Å; D128-K131 PolarHBondContact O-N 3.41Å; D128-K131 PolarHBondContact O-NZ 3.02Å; D128-K131 IonicContact OD1-NZ 2.63Å; D128-K131 PolarHBondContact OD1-NZ 3.34Å; D128-K131 IonicContact OD2-NZ 3.06Å; D128-K131 PolarHBondContact OD2-NZ 2.88Å; H129-K131 VanDerWaalsContact C-N 3.29Å; H129-K131 PolarHBondContact O-N 2.86Å; K131-K133 PolarHBondContact O-N 2.85Å
132	L	88.1	Confident	87.8	Confident	28 Å²	28	37.2 Å²	37.2	15%	0.147	20%	0.195	C	C	.	.			trans	-77.8	104.3	178.4	-51.4	-175.4	0	0	0	110.2	A51 Y85 A127 F130 F135	A51-L132 HydrophobicContact CB-CD1 3.91Å; A51-L132 HydrophobicContact CB-CD2 3.77Å; A51-L132 HydrophobicContact CB-CG 4.36Å; Y85-L132 HydrophobicContact CD2-CD1 4.08Å; Y85-L132 HydrophobicContact CE2-CD1 4.09Å; Y85-L132 HydrophobicContact CE2-CD2 3.95Å; Y85-L132 HydrophobicContact CG-CD1 4.46Å; A127-L132 HydrophobicContact CB-CB 4.27Å; A127-L132 PolarHBondContact O-N 3.02Å; F130-L132 VanDerWaalsContact C-N 3.25Å; F130-L132 HydrophobicContact CB-CD1 4.28Å; F130-L132 HydrophobicContact CB-CD2 3.92Å; F130-L132 HydrophobicContact CB-CG 3.8Å; F130-L132 PolarHBondContact O-N 2.69Å; L132-F135 HydrophobicContact CB-CD1 4.26Å; L132-F135 HydrophobicContact CD1-CB 4.44Å
133	K	81.1	Confident	87.3	Confident	142 Å²	142	37.2 Å²	37.2	62%	0.617	20%	0.195	S	C	*	.	S	Bend	trans	-71.7	-38.8	171.9	-63.3	-173.6	178.5	-174.1	0	112.2	K131 S266	K131-K133 PolarHBondContact O-N 2.85Å; K133-S266 WeakPolarHBondContact O-CB 3.32Å; K133-S266 PolarHBondContact O-N 3.21Å; K133-S266 PolarHBondContact O-OG 3.41Å; K133-S266 VanDerWaalsContact O-OG 3.1Å
134	T	78.3	Confident	86.6	Confident	79 Å²	79	37.2 Å²	37.2	49%	0.485	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	135.7	-178.2	64.1	0	0	0	0	109.1	L264 S265	T134-L264 CarbonylContact C-O 3.56Å; T134-L264 WeakPolarHBondContact CA-O 3.28Å; T134-S265 VanDerWaalsContact CG2-OG 3.3Å; T134-S265 WeakPolarHBondContact CG2-OG 3.46Å
135	F	84.3	Confident	86	Confident	13 Å²	13	37 Å²	37	6%	0.057	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	159.3	176.9	63.7	-88.8	0	0	0	111.5	A51 L53 V123 A127 L132 L150 L264	A51-F135 HydrophobicContact CB-CB 3.79Å; A51-F135 CarbonylContact O-C 3.54Å; A51-F135 VanDerWaalsContact O-CA 3.31Å; A51-F135 WeakPolarHBondContact O-CA 3.31Å; L53-F135 HydrophobicContact CB-CD2 3.49Å; L53-F135 VanDerWaalsContact CB-CD2 3.49Å; L53-F135 HydrophobicContact CB-CE2 3.76Å; L53-F135 HydrophobicContact CB-CG 4.32Å; L53-F135 HydrophobicContact CD1-CD2 4.33Å; L53-F135 HydrophobicContact CD1-CE2 4.01Å; L53-F135 HydrophobicContact CD1-CZ 4.35Å; L53-F135 HydrophobicContact CD2-CE2 4.36Å; L53-F135 HydrophobicContact CG-CD2 4.44Å; L53-F135 HydrophobicContact CG-CE2 4.27Å; V123-F135 HydrophobicContact CG1-CE2 4.4Å; V123-F135 HydrophobicContact CG1-CZ 4.11Å; A127-F135 HydrophobicContact CB-CD1 4.39Å; A127-F135 HydrophobicContact CB-CE1 3.82Å; A127-F135 HydrophobicContact CB-CZ 4.43Å; L132-F135 HydrophobicContact CB-CD1 4.26Å; L132-F135 HydrophobicContact CD1-CB 4.44Å; F135-L150 HydrophobicContact CZ-CD2 4.38Å; F135-L264 HydrophobicContact CD1-CB 4.28Å; F135-L264 HydrophobicContact CD2-CB 4.19Å; F135-L264 HydrophobicContact CD2-CD1 4.14Å; F135-L264 HydrophobicContact CE1-CB 3.94Å; F135-L264 HydrophobicContact CE1-CD1 4.4Å; F135-L264 HydrophobicContact CE2-CB 3.91Å; F135-L264 HydrophobicContact CE2-CD1 3.24Å; F135-L264 HydrophobicContact CE2-CG 4.1Å; F135-L264 HydrophobicContact CG-CB 4.4Å; F135-L264 HydrophobicContact CZ-CB 3.76Å; F135-L264 HydrophobicContact CZ-CD1 3.39Å; F135-L264 HydrophobicContact CZ-CG 4.17Å; F135-L264 PolarHBondContact N-O 3.2Å; F135-L264 PolarHBondContact O-N 2.93Å
136	I	83.3	Confident	85.6	Confident	11 Å²	11	35.3 Å²	35.3	6%	0.056	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	111.3	171.1	-45.4	-168.9	0	0	0	107.4	A51 I52 L53 F82 I232 V261 C262 L263	A51-I136 PolarHBondContact O-N 2.76Å; I52-I136 CarbonylContact C-O 3.52Å; I52-I136 VanDerWaalsContact CA-O 3.31Å; I52-I136 WeakPolarHBondContact CA-O 3.31Å; I52-I136 HydrophobicContact CG1-CB 4.14Å; I52-I136 HydrophobicContact CG1-CD1 4.36Å; I52-I136 HydrophobicContact CG1-CG1 4.41Å; L53-I136 PolarHBondContact N-O 3.27Å; F82-I136 HydrophobicContact CD1-CD1 4.44Å; F82-I136 HydrophobicContact CE1-CD1 3.61Å; F82-I136 HydrophobicContact CE1-CG1 4.47Å; F82-I136 HydrophobicContact CZ-CD1 3.89Å; I136-I232 HydrophobicContact CD1-CD1 4.17Å; I136-I232 HydrophobicContact CD1-CG1 3.82Å; I136-V261 HydrophobicContact CG2-CG1 3.79Å; I136-C262 CarbonylContact C-O 3.56Å; I136-L263 HydrophobicContact CB-CD2 4.03Å; I136-L263 HydrophobicContact CD1-CD2 3.97Å; I136-L263 HydrophobicContact CG1-CD2 3.51Å; I136-L263 HydrophobicContact CG2-CD2 3.96Å
137	G	85.5	Confident	85.1	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	127.1	168.4	0	0	0	0	0	111	L53 V261 C262	L53-G137 CarbonylContact O-C 3.49Å; L53-G137 WeakPolarHBondContact O-CA 3.4Å; G137-V261 WeakPolarHBondContact O-CA 3.34Å; G137-C262 WeakPolarHBondContact CA-O 3.49Å; G137-C262 PolarHBondContact N-O 3.34Å; G137-C262 PolarHBondContact O-N 3.23Å
138	F	85.3	Confident	84.3	Confident	3 Å²	3	35.4 Å²	35.4	1%	0.013	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	106.4	176.7	-172.7	-90.5	0	0	0	109.9	I52 L53 T54 F55 F66 F69 F247 F254 V259 V261	I52-F138 HydrophobicContact CG2-CB 4.13Å; L53-F138 PolarHBondContact O-N 3.36Å; T54-F138 CarbonylContact C-O 3.55Å; T54-F138 WeakPolarHBondContact CA-O 3.35Å; T54-F138 HydrophobicContact CG2-CB 4.26Å; T54-F138 HydrophobicContact CG2-CD1 4.41Å; F55-F138 PolarHBondContact N-O 3.17Å; F66-F138 AromaticContact CD1-CD1 3.86Å; F66-F138 HydrophobicContact CD1-CD1 3.86Å; F66-F138 AromaticContact CD1-CE1 3.78Å; F66-F138 HydrophobicContact CD1-CE1 3.78Å; F66-F138 AromaticContact CE1-CD1 3.47Å; F66-F138 HydrophobicContact CE1-CD1 3.47Å; F66-F138 VanDerWaalsContact CE1-CD1 3.47Å; F66-F138 AromaticContact CE1-CE1 3.6Å; F66-F138 HydrophobicContact CE1-CE1 3.6Å; F66-F138 HydrophobicContact CZ-CD1 4.43Å; F69-F138 HydrophobicContact CD1-CE1 4.07Å; F69-F138 AromaticContact CD1-CZ 3.95Å; F69-F138 HydrophobicContact CD1-CZ 3.95Å; F69-F138 HydrophobicContact CD2-CZ 4.49Å; F69-F138 HydrophobicContact CE1-CE1 4.03Å; F69-F138 AromaticContact CE1-CE2 3.86Å; F69-F138 HydrophobicContact CE1-CE2 3.86Å; F69-F138 AromaticContact CE1-CZ 3.57Å; F69-F138 HydrophobicContact CE1-CZ 3.57Å; F69-F138 HydrophobicContact CE2-CZ 4.15Å; F69-F138 HydrophobicContact CG-CZ 4.39Å; F69-F138 AromaticContact CZ-CE2 3.81Å; F69-F138 HydrophobicContact CZ-CE2 3.81Å; F69-F138 AromaticContact CZ-CZ 3.69Å; F69-F138 HydrophobicContact CZ-CZ 3.69Å; F138-F247 HydrophobicContact CD2-CE1 4.49Å; F138-F247 HydrophobicContact CE2-CE1 4.35Å; F138-F254 HydrophobicContact CE1-CE2 4.06Å; F138-F254 HydrophobicContact CE1-CZ 4.01Å; F138-F254 AromaticContact CZ-CE2 3.84Å; F138-F254 HydrophobicContact CZ-CE2 3.84Å; F138-F254 HydrophobicContact CZ-CZ 4.28Å; F138-V259 HydrophobicContact CE1-CG1 4.11Å; F138-V259 HydrophobicContact CE2-CG1 3.76Å; F138-V259 HydrophobicContact CZ-CG1 3.49Å; F138-V259 VanDerWaalsContact CZ-CG1 3.49Å; F138-V261 HydrophobicContact CD2-CG1 4.47Å; F138-V261 HydrophobicContact CD2-CG2 3.62Å; F138-V261 HydrophobicContact CE2-CG2 3.74Å
139	G	82.8	Confident	83.7	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	150.7	-172.7	0	0	0	0	0	113.2	F55 A144 R260	F55-G139 WeakPolarHBondContact O-CA 3.4Å; G139-A144 WeakPolarHBondContact O-CB 3.31Å; G139-R260 PolarHBondContact N-O 2.98Å; G139-R260 PolarHBondContact O-N 2.74Å
140	V	76.7	Confident	83	Confident	3 Å²	3	28.6 Å²	28.6	2%	0.018	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	132.5	174.1	-172.3	0	0	0	0	108.7	F55 H56 D57 F66 A142 G143 A144 F254 V257 V259	F55-V140 PolarHBondContact O-N 2.79Å; H56-V140 CarbonylContact C-O 3.53Å; D57-V140 WeakPolarHBondContact CA-O 3.25Å; D57-V140 HydrophobicContact CB-CB 4.27Å; D57-V140 HydrophobicContact CB-CG1 4.08Å; D57-V140 PolarHBondContact N-O 2.92Å; F66-V140 HydrophobicContact CE1-CG2 3.65Å; F66-V140 HydrophobicContact CZ-CG2 4.13Å; V140-A142 PolarHBondContact O-N 2.83Å; V140-G143 PolarHBondContact O-N 2.82Å; V140-A144 PolarHBondContact O-N 3.21Å; V140-F254 HydrophobicContact CG2-CD1 4.36Å; V140-F254 HydrophobicContact CG2-CE1 3.85Å; V140-F254 HydrophobicContact CG2-CZ 4.22Å; V140-V257 HydrophobicContact CG1-CB 4.42Å; V140-V257 HydrophobicContact CG1-CG1 3.32Å; V140-V259 HydrophobicContact CG2-CG2 4.25Å
141	G	80.2	Confident	82	Confident	20 Å²	20	27.7 Å²	27.7	21%	0.206	14%	0.142	C	C	.	.	H	α-helix	trans	48.8	-109.6	177	0	0	0	0	0	114.6	D57 A144 N145 P258	D57-G141 WeakPolarHBondContact OD1-CA 3.38Å; D57-G141 WeakPolarHBondContact OD2-CA 3.21Å; G141-A144 VanDerWaalsContact O-CB 3.3Å; G141-A144 WeakPolarHBondContact O-CB 3.44Å; G141-A144 PolarHBondContact O-N 2.89Å; G141-N145 PolarHBondContact O-N 3.42Å; G141-P258 PolarHBondContact N-O 2.97Å
142	A	82.4	Confident	80.8	Confident	15 Å²	15	21.5 Å²	21.5	12%	0.124	12%	0.115	C	C	.	.	H	α-helix	trans	-60.1	-44.2	176	0	0	0	0	0	113	D57 L58 M116 V140 A144 N145 V146	D57-A142 PolarHBondContact OD1-N 2.95Å; L58-A142 HydrophobicContact CD1-CB 4.32Å; L58-A142 HydrophobicContact CD2-CB 3.76Å; L58-A142 HydrophobicContact CG-CB 3.61Å; M116-A142 HydrophobicContact CE-CB 4.01Å; M116-A142 VanDerWaalsContact CE-O 3.31Å; M116-A142 WeakPolarHBondContact CE-O 3.44Å; V140-A142 PolarHBondContact O-N 2.83Å; A142-A144 VanDerWaalsContact C-N 3.26Å; A142-A144 PolarHBondContact O-N 3.49Å; A142-N145 WeakPolarHBondContact O-CA 3.46Å; A142-N145 VanDerWaalsContact O-CB 3.3Å; A142-N145 WeakPolarHBondContact O-CB 3.3Å; A142-N145 PolarHBondContact O-N 2.82Å; A142-V146 WeakPolarHBondContact O-CG2 3.43Å; A142-V146 PolarHBondContact O-N 3.36Å
143	G	83.7	Confident	80.1	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-64.5	-32.5	175.9	0	0	0	0	0	113.4	F55 H56 V140 N145 V146 L147	F55-G143 WeakPolarHBondContact O-CA 3.34Å; H56-G143 VanDerWaalsContact O-CA 3.3Å; H56-G143 WeakPolarHBondContact O-CA 3.45Å; H56-G143 PolarHBondContact O-N 3.29Å; V140-G143 PolarHBondContact O-N 2.82Å; G143-N145 VanDerWaalsContact C-N 3.33Å; G143-N145 PolarHBondContact O-N 3.01Å; G143-V146 PolarHBondContact O-N 2.87Å; G143-L147 WeakPolarHBondContact O-CG 3.35Å; G143-L147 PolarHBondContact O-N 3.04Å
144	A	77.9	Confident	79.5	Confident	1 Å²	1	18.7 Å²	18.7	1%	0.008	10%	0.102	C	C	.	.	H	α-helix	trans	-62.4	-41.2	170.7	0	0	0	0	0	111.8	G139 V140 G141 A142 C148 R260	G139-A144 WeakPolarHBondContact O-CB 3.31Å; V140-A144 PolarHBondContact O-N 3.21Å; G141-A144 VanDerWaalsContact O-CB 3.3Å; G141-A144 WeakPolarHBondContact O-CB 3.44Å; G141-A144 PolarHBondContact O-N 2.89Å; A142-A144 VanDerWaalsContact C-N 3.26Å; A142-A144 PolarHBondContact O-N 3.49Å; A144-C148 VanDerWaalsContact O-CB 3.31Å; A144-C148 WeakPolarHBondContact O-CB 3.48Å; A144-C148 PolarHBondContact O-N 3.38Å; A144-C148 PolarHBondContact O-SG 2.97Å; A144-R260 HydrophobicContact CB-CB 3.84Å; A144-R260 HydrophobicContact CB-CG 3.76Å
145	N	78.9	Confident	78.7	Confident	59 Å²	59	17.3 Å²	17.3	32%	0.316	9%	0.09	S	C	.	.	H	α-helix	trans	-65.2	-45.5	176.3	-176.2	10.8	0	0	0	111.5	M116 G141 A142 G143 C148 R149	M116-N145 HydrophobicContact CE-CB 3.76Å; M116-N145 WeakPolarHBondContact CE-ND2 3.18Å; G141-N145 PolarHBondContact O-N 3.42Å; A142-N145 WeakPolarHBondContact O-CA 3.46Å; A142-N145 VanDerWaalsContact O-CB 3.3Å; A142-N145 WeakPolarHBondContact O-CB 3.3Å; A142-N145 PolarHBondContact O-N 2.82Å; G143-N145 VanDerWaalsContact C-N 3.33Å; G143-N145 PolarHBondContact O-N 3.01Å; N145-C148 PolarHBondContact O-N 2.88Å; N145-R149 VanDerWaalsContact O-CG 3.32Å; N145-R149 WeakPolarHBondContact O-CG 3.44Å; N145-R149 PolarHBondContact O-N 3.43Å; N145-R149 WeakPolarHBondContact OD1-CD 3.44Å; N145-R149 PolarHBondContact OD1-NE 3.42Å
146	V	85.9	Confident	77.7	Confident	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-57.1	-52.8	175.7	173.8	0	0	0	0	111	F55 M116 L119 V123 A142 G143 C148 R149 L150	F55-V146 HydrophobicContact CD2-CG1 4.27Å; F55-V146 HydrophobicContact CE1-CG2 4.32Å; F55-V146 HydrophobicContact CE2-CG1 4.12Å; F55-V146 HydrophobicContact CZ-CG1 4.44Å; F55-V146 HydrophobicContact CZ-CG2 4.4Å; M116-V146 HydrophobicContact CE-CG2 3.65Å; M116-V146 HydrophobicContact SD-CG2 4.27Å; L119-V146 HydrophobicContact CB-CG1 3.92Å; L119-V146 HydrophobicContact CB-CG2 3.73Å; L119-V146 HydrophobicContact CD1-CG2 3.85Å; L119-V146 HydrophobicContact CG-CG2 4.47Å; V123-V146 HydrophobicContact CG2-CG1 4.13Å; A142-V146 WeakPolarHBondContact O-CG2 3.43Å; A142-V146 PolarHBondContact O-N 3.36Å; G143-V146 PolarHBondContact O-N 2.87Å; V146-C148 VanDerWaalsContact C-N 3.32Å; V146-C148 PolarHBondContact O-N 2.78Å; V146-R149 WeakPolarHBondContact O-CB 3.25Å; V146-R149 PolarHBondContact O-N 3.45Å; V146-L150 PolarHBondContact O-N 3.24Å
147	L	84.6	Confident	76.9	Confident	2 Å²	2	21.5 Å²	21.5	1%	0.01	11%	0.109	C	C	.	.	H	α-helix	trans	-65	-35.1	-178.9	-67.7	175.4	0	0	0	112.6	L53 F55 V123 G143 L150 A151 L264	L53-L147 HydrophobicContact CD2-CD2 4.01Å; F55-L147 HydrophobicContact CB-CD1 4.08Å; F55-L147 HydrophobicContact CB-CG 4.16Å; V123-L147 HydrophobicContact CG1-CD2 4Å; V123-L147 HydrophobicContact CG2-CD2 4.35Å; G143-L147 WeakPolarHBondContact O-CG 3.35Å; G143-L147 PolarHBondContact O-N 3.04Å; L147-L150 PolarHBondContact O-N 3.05Å; L147-A151 WeakPolarHBondContact O-CB 3.35Å; L147-A151 PolarHBondContact O-N 3.1Å; L147-L264 HydrophobicContact CD2-CD1 4.25Å
148	C	75.7	Confident	75.6	Confident	8 Å²	8	22.7 Å²	22.7	5%	0.054	12%	0.115	C	C	.	.	H	α-helix	trans	-67.1	-40.2	174.7	-73.1	0	0	0	0	112.5	A144 N145 V146 A151 V152 R260	A144-C148 VanDerWaalsContact O-CB 3.31Å; A144-C148 WeakPolarHBondContact O-CB 3.48Å; A144-C148 PolarHBondContact O-N 3.38Å; A144-C148 PolarHBondContact O-SG 2.97Å; N145-C148 PolarHBondContact O-N 2.88Å; V146-C148 VanDerWaalsContact C-N 3.32Å; V146-C148 PolarHBondContact O-N 2.78Å; C148-A151 WeakPolarHBondContact O-CB 3.29Å; C148-A151 PolarHBondContact O-N 3.2Å; C148-V152 WeakPolarHBondContact O-CG2 3.26Å; C148-V152 PolarHBondContact O-N 2.87Å; C148-R260 WeakPolarHBondContact SG-CD 3.4Å
149	R	78.8	Confident	74.4	Confident	45 Å²	45	25.1 Å²	25.1	17%	0.17	13%	0.126	C	C	.	.	H	α-helix	trans	-62	-47.1	174.9	-74.6	164.3	177.4	-88.7	-2	110.6	D117 N145 V146 A151 V152 Y153 M182	D117-R149 VanDerWaalsContact OD1-CD 3.29Å; D117-R149 WeakPolarHBondContact OD1-CD 3.21Å; D117-R149 IonicContact OD1-CZ 2.74Å; D117-R149 IonicContact OD1-NE 2.66Å; D117-R149 IonicContact OD1-NH1 3.29Å; D117-R149 PolarHBondContact OD1-NH1 2.9Å; D117-R149 IonicContact OD2-NH1 2.89Å; D117-R149 PolarHBondContact OD2-NH1 2.89Å; N145-R149 VanDerWaalsContact O-CG 3.32Å; N145-R149 WeakPolarHBondContact O-CG 3.44Å; N145-R149 PolarHBondContact O-N 3.43Å; N145-R149 WeakPolarHBondContact OD1-CD 3.44Å; N145-R149 PolarHBondContact OD1-NE 3.42Å; V146-R149 WeakPolarHBondContact O-CB 3.25Å; V146-R149 PolarHBondContact O-N 3.45Å; R149-A151 VanDerWaalsContact C-N 3.33Å; R149-A151 PolarHBondContact O-N 3.39Å; R149-V152 PolarHBondContact O-N 3.02Å; R149-Y153 WeakPolarHBondContact O-CB 3.44Å; R149-Y153 PolarHBondContact O-N 3.22Å; R149-M182 HydrophobicContact CG-CE 3.97Å
150	L	82	Confident	73.1	Confident	5 Å²	5	25.9 Å²	25.9	3%	0.026	13%	0.132	C	C	.	.	H	α-helix	trans	-57.6	-45.5	174.6	178.3	59.7	0	0	0	111.8	V123 I124 F135 V146 L147 V152 Y153 M154 L264	V123-L150 HydrophobicContact CB-CD2 3.85Å; V123-L150 HydrophobicContact CG1-CD2 3.44Å; V123-L150 VanDerWaalsContact CG1-CD2 3.44Å; I124-L150 HydrophobicContact CD1-CD1 3.51Å; I124-L150 HydrophobicContact CG1-CD1 3.38Å; I124-L150 HydrophobicContact CG1-CD2 4.37Å; F135-L150 HydrophobicContact CZ-CD2 4.38Å; V146-L150 PolarHBondContact O-N 3.24Å; L147-L150 PolarHBondContact O-N 3.05Å; L150-V152 VanDerWaalsContact C-N 3.33Å; L150-V152 PolarHBondContact O-N 3.04Å; L150-Y153 PolarHBondContact O-N 3.42Å; L150-M154 HydrophobicContact CD1-CG 3.9Å; L150-M154 HydrophobicContact CD1-SD 4.01Å; L150-M154 HydrophobicContact CG-CG 4.34Å; L150-M154 HydrophobicContact CG-SD 4.05Å; L150-M154 WeakPolarHBondContact O-CG 3.4Å; L150-M154 PolarHBondContact O-N 2.9Å; L150-L264 HydrophobicContact CD2-CD1 4.02Å; L150-L264 HydrophobicContact CG-CD1 4.46Å
151	A	73.2	Confident	72.2	Confident	6 Å²	6	31 Å²	31	5%	0.05	15%	0.154	C	C	.	.	H	α-helix	trans	-56.9	-45.8	177.4	0	0	0	0	0	112.4	L147 C148 R149 Q155 L264 F271	L147-A151 WeakPolarHBondContact O-CB 3.35Å; L147-A151 PolarHBondContact O-N 3.1Å; C148-A151 WeakPolarHBondContact O-CB 3.29Å; C148-A151 PolarHBondContact O-N 3.2Å; R149-A151 VanDerWaalsContact C-N 3.33Å; R149-A151 PolarHBondContact O-N 3.39Å; A151-Q155 VanDerWaalsContact O-CG 3.32Å; A151-Q155 WeakPolarHBondContact O-CG 3.25Å; A151-Q155 PolarHBondContact O-N 3.46Å; A151-Q155 VanDerWaalsContact O-N 3.1Å; A151-L264 VanDerWaalsContact CA-CD2 3.44Å; A151-L264 HydrophobicContact CB-CD2 3.6Å; A151-F271 HydrophobicContact CB-CD1 3.7Å; A151-F271 HydrophobicContact CB-CE1 4.28Å; A151-F271 WeakPolarHBondContact O-CD1 3.33Å; A151-F271 WeakPolarHBondContact O-CE1 3.48Å
152	V	68.7	Low	71.1	Confident	11 Å²	11	37.6 Å²	37.6	7%	0.067	18%	0.177	C	C	.	.	H	α-helix	trans	-66.9	-42.9	178.1	173.9	0	0	0	0	110.6	C148 R149 L150 Q155 I156 M182 F216	C148-V152 WeakPolarHBondContact O-CG2 3.26Å; C148-V152 PolarHBondContact O-N 2.87Å; R149-V152 PolarHBondContact O-N 3.02Å; L150-V152 VanDerWaalsContact C-N 3.33Å; L150-V152 PolarHBondContact O-N 3.04Å; V152-Q155 WeakPolarHBondContact O-CB 3.19Å; V152-Q155 PolarHBondContact O-N 2.92Å; V152-I156 HydrophobicContact CG1-CD1 3.86Å; V152-I156 WeakPolarHBondContact O-CG1 3.49Å; V152-I156 PolarHBondContact O-N 2.75Å; V152-M182 HydrophobicContact CG2-CE 4.48Å; V152-F216 HydrophobicContact CG2-CE2 3.77Å; V152-F216 HydrophobicContact CG2-CZ 3.85Å
153	Y	72.8	Confident	69.7	Low	76 Å²	76	43.4 Å²	43.4	30%	0.298	20%	0.2	S	C	.	.	H	α-helix	trans	-60.8	-48	178.7	-176.3	-105	0	0	0	111.9	R149 L150 Q155 I156 F157	R149-Y153 WeakPolarHBondContact O-CB 3.44Å; R149-Y153 PolarHBondContact O-N 3.22Å; L150-Y153 PolarHBondContact O-N 3.42Å; Y153-Q155 VanDerWaalsContact C-N 3.35Å; Y153-Q155 PolarHBondContact O-N 3.13Å; Y153-I156 PolarHBondContact O-N 3.46Å; Y153-F157 WeakPolarHBondContact O-CB 3.47Å; Y153-F157 PolarHBondContact O-N 3.14Å
154	M	67.9	Low	68.1	Low	36 Å²	36	44.7 Å²	44.7	18%	0.177	21%	0.209	C	C	.	.	H	α-helix	trans	-63.5	-37.7	177.4	-67.7	-176.9	81.5	0	0	112.2	L150 F157 L158 L264 F271	L150-M154 HydrophobicContact CD1-CG 3.9Å; L150-M154 HydrophobicContact CD1-SD 4.01Å; L150-M154 HydrophobicContact CG-CG 4.34Å; L150-M154 HydrophobicContact CG-SD 4.05Å; L150-M154 WeakPolarHBondContact O-CG 3.4Å; L150-M154 PolarHBondContact O-N 2.9Å; M154-F157 PolarHBondContact O-N 2.63Å; M154-L158 WeakPolarHBondContact O-CB 3.42Å; M154-L158 WeakPolarHBondContact O-CG 3.45Å; M154-L158 PolarHBondContact O-N 2.98Å; M154-L264 HydrophobicContact SD-CD2 4.21Å; M154-F271 HydrophobicContact CB-CE1 3.81Å; M154-F271 HydrophobicContact CB-CZ 3.61Å
155	Q	63.1	Low	66.7	Low	49 Å²	49	50 Å²	50	23%	0.229	25%	0.246	C	C	.	.	H	α-helix	trans	-60.6	-48.5	173.8	-78.8	175.6	43	0	0	112.3	A151 V152 Y153 F157 L158 F159 F271	A151-Q155 VanDerWaalsContact O-CG 3.32Å; A151-Q155 WeakPolarHBondContact O-CG 3.25Å; A151-Q155 PolarHBondContact O-N 3.46Å; A151-Q155 VanDerWaalsContact O-N 3.1Å; V152-Q155 WeakPolarHBondContact O-CB 3.19Å; V152-Q155 PolarHBondContact O-N 2.92Å; Y153-Q155 VanDerWaalsContact C-N 3.35Å; Y153-Q155 PolarHBondContact O-N 3.13Å; Q155-F157 VanDerWaalsContact C-N 3.27Å; Q155-F157 PolarHBondContact O-N 3.13Å; Q155-L158 PolarHBondContact O-N 3.48Å; Q155-F159 VanDerWaalsContact O-CB 3.26Å; Q155-F159 WeakPolarHBondContact O-CB 3.35Å; Q155-F159 PolarHBondContact O-N 3.38Å; Q155-F271 HydrophobicContact CB-CD2 4.46Å; Q155-F271 HydrophobicContact CB-CE2 4.36Å; Q155-F271 HydrophobicContact CG-CB 4.14Å; Q155-F271 HydrophobicContact CG-CD1 4.12Å; Q155-F271 HydrophobicContact CG-CD2 3.13Å; Q155-F271 HydrophobicContact CG-CE1 4.31Å; Q155-F271 HydrophobicContact CG-CE2 3.38Å; Q155-F271 HydrophobicContact CG-CG 3.54Å; Q155-F271 HydrophobicContact CG-CZ 3.99Å; Q155-F271 VanDerWaalsContact NE2-CG 3.28Å
156	I	63.1	Low	65.1	Low	34 Å²	34	52.7 Å²	52.7	17%	0.174	26%	0.26	C	S	.	.	H	α-helix	trans	-61.6	-43.1	-179.5	-67.6	167.7	0	0	0	109.4	V152 Y153 F159 A160	V152-I156 HydrophobicContact CG1-CD1 3.86Å; V152-I156 WeakPolarHBondContact O-CG1 3.49Å; V152-I156 PolarHBondContact O-N 2.75Å; Y153-I156 PolarHBondContact O-N 3.46Å; I156-F159 PolarHBondContact O-N 3.21Å; I156-A160 VanDerWaalsContact O-CB 3.23Å; I156-A160 WeakPolarHBondContact O-CB 3.11Å; I156-A160 PolarHBondContact O-N 2.87Å
157	F	65.7	Low	63.1	Low	78 Å²	78	61.8 Å²	61.8	34%	0.342	30%	0.303	S	S	.	.	H	α-helix	trans	-63.3	-45.6	177.8	-175.1	-107.9	0	0	0	112.9	Y153 M154 Q155 A160 K161	Y153-F157 WeakPolarHBondContact O-CB 3.47Å; Y153-F157 PolarHBondContact O-N 3.14Å; M154-F157 PolarHBondContact O-N 2.63Å; Q155-F157 VanDerWaalsContact C-N 3.27Å; Q155-F157 PolarHBondContact O-N 3.13Å; F157-A160 PolarHBondContact O-N 2.74Å; F157-K161 HydrophobicContact CD1-CD 4.23Å; F157-K161 HydrophobicContact CE1-CD 3.79Å; F157-K161 VanDerWaalsContact CE1-NZ 3.27Å; F157-K161 HydrophobicContact CZ-CD 4.15Å; F157-K161 PolarHBondContact O-N 2.83Å
158	L	59.2	Low	61	Low	25 Å²	25	65.4 Å²	65.4	13%	0.131	33%	0.328	C	S	.	.	H	α-helix	trans	-65.4	-43.4	176.6	-74.5	175.1	0	0	0	112.4	M154 Q155 A160 K161 K162 S266 F271	M154-L158 WeakPolarHBondContact O-CB 3.42Å; M154-L158 WeakPolarHBondContact O-CG 3.45Å; M154-L158 PolarHBondContact O-N 2.98Å; Q155-L158 PolarHBondContact O-N 3.48Å; L158-A160 VanDerWaalsContact C-N 3.32Å; L158-A160 PolarHBondContact O-N 2.84Å; L158-K161 PolarHBondContact O-N 2.77Å; L158-K162 WeakPolarHBondContact O-CB 3.33Å; L158-K162 PolarHBondContact O-N 3.49Å; L158-S266 WeakPolarHBondContact CD2-O 3.39Å; L158-F271 HydrophobicContact CD1-CE2 4.12Å; L158-F271 HydrophobicContact CD1-CZ 4.25Å
159	F	58.5	Low	59.4	Low	54 Å²	54	65.8 Å²	65.8	24%	0.237	33%	0.332	C	S	.	.	H	α-helix	trans	-61.5	-43	176.5	-177.9	-101.6	0	0	0	111.3	Q155 I156 K162 K163	Q155-F159 VanDerWaalsContact O-CB 3.26Å; Q155-F159 WeakPolarHBondContact O-CB 3.35Å; Q155-F159 PolarHBondContact O-N 3.38Å; I156-F159 PolarHBondContact O-N 3.21Å; F159-K162 PolarHBondContact O-N 3.47Å; F159-K163 HydrophobicContact CE1-CG 4.07Å; F159-K163 HydrophobicContact CE2-CG 4.45Å; F159-K163 HydrophobicContact CZ-CG 4.04Å; F159-K163 PolarHBondContact O-N 2.84Å
160	A	56	Low	57.6	Low	17 Å²	17	73 Å²	73	14%	0.14	36%	0.359	C	S	.	.	H	α-helix	trans	-61.6	-46.4	174.4	0	0	0	0	0	112.4	I156 F157 L158 K162 K163 S164 L172	I156-A160 VanDerWaalsContact O-CB 3.23Å; I156-A160 WeakPolarHBondContact O-CB 3.11Å; I156-A160 PolarHBondContact O-N 2.87Å; F157-A160 PolarHBondContact O-N 2.74Å; L158-A160 VanDerWaalsContact C-N 3.32Å; L158-A160 PolarHBondContact O-N 2.84Å; A160-K162 VanDerWaalsContact C-N 3.34Å; A160-K162 PolarHBondContact O-N 2.86Å; A160-K163 PolarHBondContact O-N 2.8Å; A160-S164 VanDerWaalsContact O-CB 3.24Å; A160-S164 WeakPolarHBondContact O-CB 3.29Å; A160-S164 PolarHBondContact O-N 3.34Å; A160-L172 HydrophobicContact CB-CD1 3.34Å
161	K	58.2	Low	55.6	Low	109 Å²	109	77.4 Å²	77.4	47%	0.474	38%	0.378	S	S	.	.	H	α-helix	trans	-57.2	-45.7	174.6	-83.9	-173.8	166.9	178.5	0	112	F157 L158 K163 S164	F157-K161 HydrophobicContact CD1-CD 4.23Å; F157-K161 HydrophobicContact CE1-CD 3.79Å; F157-K161 VanDerWaalsContact CE1-NZ 3.27Å; F157-K161 HydrophobicContact CZ-CD 4.15Å; F157-K161 PolarHBondContact O-N 2.83Å; L158-K161 PolarHBondContact O-N 2.77Å; K161-K163 VanDerWaalsContact C-N 3.35Å; K161-K163 PolarHBondContact O-N 2.96Å; K161-S164 PolarHBondContact O-N 3Å; K161-S164 VanDerWaalsContact O-N 3.11Å
162	K	56.4	Low	54.1	Low	160 Å²	160	80.1 Å²	80.1	70%	0.696	39%	0.392	S	S	*	.	H	α-helix	trans	-66.5	-34.6	-179.7	-168.4	173.5	-175.6	173.8	0	113	L158 F159 A160 S164	L158-K162 WeakPolarHBondContact O-CB 3.33Å; L158-K162 PolarHBondContact O-N 3.49Å; F159-K162 PolarHBondContact O-N 3.47Å; A160-K162 VanDerWaalsContact C-N 3.34Å; A160-K162 PolarHBondContact O-N 2.86Å; K162-S164 VanDerWaalsContact C-N 3.31Å
163	K	52.9	Low	53.1	Low	136 Å²	136	85.5 Å²	85.5	59%	0.591	42%	0.416	S	S	*	.	H	α-helix	trans	-74.7	-22.4	173.1	-78.3	-75.2	-176.5	178.2	0	112.8	F159 A160 K161 S165	F159-K163 HydrophobicContact CE1-CG 4.07Å; F159-K163 HydrophobicContact CE2-CG 4.45Å; F159-K163 HydrophobicContact CZ-CG 4.04Å; F159-K163 PolarHBondContact O-N 2.84Å; A160-K163 PolarHBondContact O-N 2.8Å; K161-K163 VanDerWaalsContact C-N 3.35Å; K161-K163 PolarHBondContact O-N 2.96Å; K163-S165 VanDerWaalsContact C-N 3.32Å; K163-S165 PolarHBondContact O-N 3Å
164	S	50.4	Low	51.6	Low	28 Å²	28	92.2 Å²	92.2	20%	0.196	44%	0.441	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	35.5	-173.8	-169.4	0	0	0	0	115.7	A160 K161 K162 D166 A169	A160-S164 VanDerWaalsContact O-CB 3.24Å; A160-S164 WeakPolarHBondContact O-CB 3.29Å; A160-S164 PolarHBondContact O-N 3.34Å; K161-S164 PolarHBondContact O-N 3Å; K161-S164 VanDerWaalsContact O-N 3.11Å; K162-S164 VanDerWaalsContact C-N 3.31Å; S164-D166 WeakPolarHBondContact CA-O 3.35Å; S164-D166 PolarHBondContact O-N 3.41Å; S164-D166 PolarHBondContact OG-O 2.94Å; S164-D166 VanDerWaalsContact OG-O 3.06Å; S164-A169 VanDerWaalsContact OG-CA 3.3Å; S164-A169 WeakPolarHBondContact OG-CA 3.5Å; S164-A169 WeakPolarHBondContact OG-CB 3.42Å; S164-A169 PolarHBondContact OG-N 2.92Å
165	S	48.1	Very low	50.3	Low	112 Å²	112	96.5 Å²	96.5	78%	0.783	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-19.3	144	52.9	0	0	0	0	111.5	K163	K163-S165 VanDerWaalsContact C-N 3.32Å; K163-S165 PolarHBondContact O-N 3Å
166	D	46.5	Very low	48.9	Very low	116 Å²	116	97.1 Å²	97.1	62%	0.62	48%	0.48	S	S	*	.	S	Bend	trans	-104.6	122.1	170.6	-70.2	-36.8	0	0	0	111	S164 S168	S164-D166 WeakPolarHBondContact CA-O 3.35Å; S164-D166 PolarHBondContact O-N 3.41Å; S164-D166 PolarHBondContact OG-O 2.94Å; S164-D166 VanDerWaalsContact OG-O 3.06Å; D166-S168 PolarHBondContact O-N 3.08Å; D166-S168 PolarHBondContact O-OG 3.49Å
167	Q	42.8	Very low	47.5	Very low	191 Å²	191	100.5 Å²	100.5	89%	0.893	51%	0.507	S	S	*	.	S	Bend	trans	1.6	-17.9	172.1	-71.5	-177.4	-5.2	0	0	123
168	S	42	Very low	46.1	Very low	77 Å²	77	98.9 Å²	98.9	54%	0.538	50%	0.503	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-25.9	-171.1	-37.2	0	0	0	0	116.2	D166 R170 F171	D166-S168 PolarHBondContact O-N 3.08Å; D166-S168 PolarHBondContact O-OG 3.49Å; S168-R170 VanDerWaalsContact C-N 3.31Å; S168-R170 PolarHBondContact O-N 2.98Å; S168-F171 WeakPolarHBondContact O-CB 3.33Å; S168-F171 PolarHBondContact O-N 3.07Å
169	A	41.8	Very low	44.7	Very low	16 Å²	16	100.5 Å²	100.5	13%	0.132	51%	0.512	C	S	.	.	H	α-helix	trans	-67	-32.2	-179.9	0	0	0	0	0	112.4	S164 F171 L172 E173	S164-A169 VanDerWaalsContact OG-CA 3.3Å; S164-A169 WeakPolarHBondContact OG-CA 3.5Å; S164-A169 WeakPolarHBondContact OG-CB 3.42Å; S164-A169 PolarHBondContact OG-N 2.92Å; A169-F171 PolarHBondContact O-N 3.11Å; A169-F171 VanDerWaalsContact O-N 3.09Å; A169-L172 PolarHBondContact O-N 3.03Å; A169-E173 WeakPolarHBondContact O-CG 3.36Å; A169-E173 PolarHBondContact O-N 3.36Å
170	R	39.9	Very low	43.4	Very low	197 Å²	197	99.6 Å²	99.6	74%	0.743	51%	0.512	S	S	*	.	H	α-helix	trans	-61.4	-21.1	176.7	-70.7	-174.6	176.2	-179.3	-0.5	112.5	S168 R174	S168-R170 VanDerWaalsContact C-N 3.31Å; S168-R170 PolarHBondContact O-N 2.98Å; R170-R174 WeakPolarHBondContact O-CG 3.41Å
171	F	41.3	Very low	42.1	Very low	97 Å²	97	104.6 Å²	104.6	43%	0.425	53%	0.527	S	S	.	.	H	α-helix	trans	-79.4	-41.7	174.5	-172.4	-94.9	0	0	0	111.6	S168 A169 E173 R174 E175	S168-F171 WeakPolarHBondContact O-CB 3.33Å; S168-F171 PolarHBondContact O-N 3.07Å; A169-F171 PolarHBondContact O-N 3.11Å; A169-F171 VanDerWaalsContact O-N 3.09Å; F171-E173 VanDerWaalsContact C-N 3.35Å; F171-R174 PolarHBondContact O-N 3.07Å; F171-E175 HydrophobicContact CE1-CG 4.26Å; F171-E175 HydrophobicContact CZ-CG 4.1Å; F171-E175 PolarHBondContact O-N 2.87Å; F171-E175 VanDerWaalsContact O-N 3.14Å
172	L	41.5	Very low	40.7	Very low	64 Å²	64	101.2 Å²	101.2	34%	0.335	51%	0.514	S	S	.	.	H	α-helix	trans	-71.7	-28.1	177.6	-70.8	167.7	0	0	0	112.9	A160 A169 R174 V178	A160-L172 HydrophobicContact CB-CD1 3.34Å; A169-L172 PolarHBondContact O-N 3.03Å; L172-R174 VanDerWaalsContact C-N 3.32Å; L172-V178 HydrophobicContact CD2-CG2 4.17Å
173	E	46.6	Very low	39.4	Very low	124 Å²	124	99 Å²	99	58%	0.579	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-24.4	171.4	-72	174.5	171.1	0	0	113	A169 F171	A169-E173 WeakPolarHBondContact O-CG 3.36Å; A169-E173 PolarHBondContact O-N 3.36Å; F171-E173 VanDerWaalsContact C-N 3.35Å
174	R	41	Very low	38.4	Very low	216 Å²	216	99.8 Å²	99.8	82%	0.815	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-32.6	179.7	-81.9	-178.1	175.9	-168.9	-1.6	113.4	R170 F171 L172	R170-R174 WeakPolarHBondContact O-CG 3.41Å; F171-R174 PolarHBondContact O-N 3.07Å; L172-R174 VanDerWaalsContact C-N 3.32Å
175	E	41.8	Very low	37.3	Very low	126 Å²	126	102.3 Å²	102.3	59%	0.589	55%	0.55	S	S	*	*	S	Bend	trans	-102.9	66.3	178.4	-66.4	-71.3	145.8	0	0	109.4	F171 S177	F171-E175 HydrophobicContact CE1-CG 4.26Å; F171-E175 HydrophobicContact CZ-CG 4.1Å; F171-E175 PolarHBondContact O-N 2.87Å; F171-E175 VanDerWaalsContact O-N 3.14Å; E175-S177 PolarHBondContact O-N 3.49Å
176	G	34	Very low	36.2	Very low	63 Å²	63	100.4 Å²	100.4	65%	0.649	55%	0.548	S	S	*	.			trans	-66.9	37.8	-175.4	0	0	0	0	0	116.1
177	S	33.2	Very low	35.2	Very low	105 Å²	105	103.2 Å²	103.2	73%	0.734	56%	0.562	S	S	*	*			trans	-152.4	77.7	171.6	-156.8	0	0	0	0	109.5	E175 D179	E175-S177 PolarHBondContact O-N 3.49Å; S177-D179 VanDerWaalsContact C-N 3.25Å; S177-D179 PolarHBondContact O-N 3.42Å
178	V	36.1	Very low	34.5	Very low	43 Å²	43	101.5 Å²	101.5	26%	0.261	56%	0.559	S	S	.	*			trans	-75.5	91.4	163.7	-175.3	0	0	0	0	106.5	L172 C180 F205	L172-V178 HydrophobicContact CD2-CG2 4.17Å; V178-C180 VanDerWaalsContact C-N 3.34Å; V178-C180 PolarHBondContact O-N 2.79Å; V178-C180 PolarHBondContact O-SG 3.04Å; V178-C180 VanDerWaalsContact O-SG 3.36Å; V178-F205 HydrophobicContact CG1-CE2 4.47Å
179	D	29.5	Very low	33.8	Very low	59 Å²	59	102.6 Å²	102.6	32%	0.316	56%	0.558	S	S	.	*			trans	-55.1	94.3	172.8	179.8	1.4	0	0	0	110.4	S177 R181	S177-D179 VanDerWaalsContact C-N 3.25Å; S177-D179 PolarHBondContact O-N 3.42Å; D179-R181 VanDerWaalsContact CG-NE 3.34Å; D179-R181 PolarHBondContact O-N 2.85Å; D179-R181 WeakPolarHBondContact OD1-CB 3.44Å; D179-R181 WeakPolarHBondContact OD1-CG 3.45Å; D179-R181 PolarHBondContact OD1-N 3.43Å; D179-R181 VanDerWaalsContact OD1-N 3.13Å; D179-R181 IonicContact OD1-NE 2.89Å; D179-R181 PolarHBondContact OD1-NE 2.93Å; D179-R181 VanDerWaalsContact OD1-NE 3.14Å; D179-R181 IonicContact OD2-CZ 3.69Å; D179-R181 IonicContact OD2-NE 2.97Å; D179-R181 PolarHBondContact OD2-NE 3.46Å; D179-R181 IonicContact OD2-NH2 3.88Å; D179-R181 PolarHBondContact OD2-NH2 3.37Å
180	C	31.1	Very low	33.1	Very low	36 Å²	36	106.4 Å²	106.4	24%	0.243	58%	0.58	C	S	.	*			trans	-92.3	53.4	173.7	-65.6	0	0	0	0	109.5	V178 M182	V178-C180 VanDerWaalsContact C-N 3.34Å; V178-C180 PolarHBondContact O-N 2.79Å; V178-C180 PolarHBondContact O-SG 3.04Å; V178-C180 VanDerWaalsContact O-SG 3.36Å; C180-M182 PolarHBondContact O-N 3.27Å
181	R	29.5	Very low	32.6	Very low	121 Å²	121	104.4 Å²	104.4	46%	0.457	58%	0.583	S	S	.	*			trans	-56.9	98.4	167.8	-95.9	-178.7	-78.6	-168.1	-3.3	110.3	D179 L189	D179-R181 VanDerWaalsContact CG-NE 3.34Å; D179-R181 PolarHBondContact O-N 2.85Å; D179-R181 WeakPolarHBondContact OD1-CB 3.44Å; D179-R181 WeakPolarHBondContact OD1-CG 3.45Å; D179-R181 PolarHBondContact OD1-N 3.43Å; D179-R181 VanDerWaalsContact OD1-N 3.13Å; D179-R181 IonicContact OD1-NE 2.89Å; D179-R181 PolarHBondContact OD1-NE 2.93Å; D179-R181 VanDerWaalsContact OD1-NE 3.14Å; D179-R181 IonicContact OD2-CZ 3.69Å; D179-R181 IonicContact OD2-NE 2.97Å; D179-R181 PolarHBondContact OD2-NE 3.46Å; D179-R181 IonicContact OD2-NH2 3.88Å; D179-R181 PolarHBondContact OD2-NH2 3.37Å; R181-L189 HydrophobicContact CB-CD1 4.3Å; R181-L189 HydrophobicContact CB-CD2 4.12Å
182	M	29.1	Very low	32	Very low	38 Å²	38	104.5 Å²	104.5	19%	0.187	60%	0.596	C	S	.	*			trans	-74.3	130.9	170	-70	-157.6	-108.2	0	0	109.9	R149 V152 C180 F184 F216	R149-M182 HydrophobicContact CG-CE 3.97Å; V152-M182 HydrophobicContact CG2-CE 4.48Å; C180-M182 PolarHBondContact O-N 3.27Å; M182-F184 HydrophobicContact CB-CD2 4.5Å; M182-F184 PolarHBondContact O-N 3Å; M182-F184 VanDerWaalsContact O-N 3.11Å; M182-F216 HydrophobicContact CE-CE1 4.12Å; M182-F216 HydrophobicContact CE-CE2 3.94Å; M182-F216 HydrophobicContact CE-CZ 3.41Å; M182-F216 VanDerWaalsContact CE-CZ 3.41Å; M182-F216 HydrophobicContact SD-CD1 4.33Å; M182-F216 HydrophobicContact SD-CD2 4Å; M182-F216 HydrophobicContact SD-CE1 3.73Å; M182-F216 HydrophobicContact SD-CE2 3.3Å; M182-F216 WeakPolarHBondContact SD-CE2 3.32Å; M182-F216 HydrophobicContact SD-CZ 3.21Å; M182-F216 WeakPolarHBondContact SD-CZ 3.47Å
183	P	28	Very low	31.7	Very low	113 Å²	113	105.1 Å²	105.1	73%	0.734	61%	0.611	S	S	*	*			trans	-79.9	99.1	177.6	31.9	-29.9	0	0	0	108.7
184	F	32.3	Very low	31.2	Very low	153 Å²	153	103 Å²	103	67%	0.671	60%	0.602	S	S	*	*			trans	-120.4	111.4	154.6	-76.2	-77	0	0	0	107.8	M182	M182-F184 HydrophobicContact CB-CD2 4.5Å; M182-F184 PolarHBondContact O-N 3Å; M182-F184 VanDerWaalsContact O-N 3.11Å
185	G	28	Very low	31	Very low	82 Å²	82	97.5 Å²	97.5	85%	0.845	60%	0.602	S	S	*	*	S	Bend	trans	77.1	75.3	161.8	0	0	0	0	0	116.8
186	G	24	Very low	30.8	Very low	72 Å²	72	95 Å²	95	74%	0.742	61%	0.61	S	S	*	*	S	Bend	trans	60.7	79.9	142.4	0	0	0	0	0	118.9
187	L	26.6	Very low	31.3	Very low	175 Å²	175	94.8 Å²	94.8	92%	0.916	59%	0.594	S	S	*	*				-173.5	138.1	129.3	-119.2	89.4	0	0	0	108.9
188	N	26.2	Very low	32	Very low	154 Å²	154	92.6 Å²	92.6	82%	0.824	58%	0.579	S	S	*	*			trans	-37	125.9	-170.2	-68.7	-54.8	0	0	0	118	T190	N188-T190 PolarHBondContact O-N 3.21Å
189	L	28.3	Very low	32.6	Very low	100 Å²	100	95.2 Å²	95.2	52%	0.524	60%	0.598	S	S	.	*			trans	-75.3	114.4	157.4	-98.3	119	0	0	0	109.5	R181 L191	R181-L189 HydrophobicContact CB-CD1 4.3Å; R181-L189 HydrophobicContact CB-CD2 4.12Å; L189-L191 PolarHBondContact O-N 3.02Å
190	T	26.7	Very low	33.3	Very low	97 Å²	97	98.1 Å²	98.1	60%	0.595	61%	0.614	S	S	*	*			trans	-67.9	125.7	168.3	30.5	0	0	0	0	111.2	N188 S192	N188-T190 PolarHBondContact O-N 3.21Å; T190-S192 PolarHBondContact O-N 3.15Å
191	L	30.4	Very low	33.7	Very low	154 Å²	154	98.7 Å²	98.7	81%	0.806	61%	0.613	S	S	*	*	G	3₁₀ helix	trans	-60.3	7.1	178.6	-143.6	85.2	0	0	0	115.4	L189	L189-L191 PolarHBondContact O-N 3.02Å
192	S	27.5	Very low	34.3	Very low	99 Å²	99	95.3 Å²	95.3	69%	0.692	60%	0.604	S	S	*	*	G	3₁₀ helix	trans	-79.1	-19.2	-165.8	56.3	0	0	0	0	115.1	T190	T190-S192 PolarHBondContact O-N 3.15Å
193	A	36.8	Very low	35.3	Very low	78 Å²	78	98 Å²	98	65%	0.645	62%	0.618	S	S	*	*	G	3₁₀ helix	trans	-86.6	-11.8	-179	0	0	0	0	0	114.5
194	M	35.6	Very low	35.8	Very low	80 Å²	80	96.2 Å²	96.2	39%	0.394	61%	0.605	S	S	.	*	S	Bend	trans	-89.4	-8.2	-175.9	-67.1	-168.7	178.1	0	0	114.5	G196 L197 F205	M194-G196 PolarHBondContact O-N 3.41Å; M194-L197 PolarHBondContact O-N 2.66Å; M194-F205 HydrophobicContact CE-CD1 4.08Å; M194-F205 HydrophobicContact CE-CE1 3.35Å; M194-F205 HydrophobicContact CE-CZ 3.95Å
195	A	35.7	Very low	36.2	Very low	99 Å²	99	91.2 Å²	91.2	82%	0.818	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.3	-12	-173	0	0	0	0	0	114.9
196	G	38.1	Very low	36.9	Very low	73 Å²	73	95 Å²	95	75%	0.753	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.7	-3.2	-179.3	0	0	0	0	0	115.7	M194	M194-G196 PolarHBondContact O-N 3.41Å
197	L	44.7	Very low	38	Very low	59 Å²	59	96.2 Å²	96.2	31%	0.309	56%	0.561	S	S	.	*			trans	-86.3	131	-172.1	-65.4	173.7	0	0	0	111.6	M194 Q201 L202	M194-L197 PolarHBondContact O-N 2.66Å; L197-Q201 VanDerWaalsContact CA-OE1 3.3Å; L197-Q201 HydrophobicContact CB-CB 3.96Å; L197-Q201 HydrophobicContact CD2-CB 3.91Å; L197-Q201 HydrophobicContact CD2-CG 4.48Å; L197-Q201 HydrophobicContact CG-CB 4.43Å; L197-L202 HydrophobicContact CB-CD1 3.99Å
198	S	47.9	Very low	38.7	Very low	60 Å²	60	89 Å²	89	42%	0.42	53%	0.525	S	S	.	.			trans	-62.7	158.4	169.6	68	0	0	0	0	111	N200 Q201 L202	S198-N200 PolarHBondContact O-N 2.93Å; S198-N200 VanDerWaalsContact O-N 3.1Å; S198-Q201 WeakPolarHBondContact O-CA 3.35Å; S198-Q201 WeakPolarHBondContact O-CB 3.35Å; S198-Q201 PolarHBondContact O-N 3.42Å; S198-Q201 WeakPolarHBondContact OG-CG 3.15Å; S198-Q201 PolarHBondContact OG-N 2.89Å; S198-L202 PolarHBondContact O-N 3.21Å
199	S	49.2	Very low	39.5	Very low	97 Å²	97	85.3 Å²	85.3	68%	0.678	50%	0.503	S	S	*	.	H	α-helix	trans	-53.2	-36.4	178.3	-52.9	0	0	0	0	112.7	L202 I203	S199-L202 PolarHBondContact O-N 3.33Å; S199-I203 WeakPolarHBondContact O-CD1 3.49Å; S199-I203 VanDerWaalsContact O-CG1 3.27Å; S199-I203 WeakPolarHBondContact O-CG1 3.33Å; S199-I203 PolarHBondContact O-N 3.16Å
200	N	43.4	Very low	40.2	Very low	121 Å²	121	84.6 Å²	84.6	65%	0.647	50%	0.497	S	S	*	.	H	α-helix	trans	-66.4	-40.4	175.6	-69.9	-13	0	0	0	112.3	S198 I203 V204	S198-N200 PolarHBondContact O-N 2.93Å; S198-N200 VanDerWaalsContact O-N 3.1Å; N200-I203 WeakPolarHBondContact O-CB 3.49Å; N200-I203 PolarHBondContact O-N 3.06Å; N200-V204 WeakPolarHBondContact O-CG2 3.3Å; N200-V204 PolarHBondContact O-N 3.48Å
201	Q	39.7	Very low	40.9	Very low	47 Å²	47	86.9 Å²	86.9	22%	0.22	49%	0.494	C	S	.	.	H	α-helix	trans	-67.6	-37.5	176.9	-72.7	171.7	-18.1	0	0	111.8	L197 S198 I203 V204 F205	L197-Q201 VanDerWaalsContact CA-OE1 3.3Å; L197-Q201 HydrophobicContact CB-CB 3.96Å; L197-Q201 HydrophobicContact CD2-CB 3.91Å; L197-Q201 HydrophobicContact CD2-CG 4.48Å; L197-Q201 HydrophobicContact CG-CB 4.43Å; S198-Q201 WeakPolarHBondContact O-CA 3.35Å; S198-Q201 WeakPolarHBondContact O-CB 3.35Å; S198-Q201 PolarHBondContact O-N 3.42Å; S198-Q201 WeakPolarHBondContact OG-CG 3.15Å; S198-Q201 PolarHBondContact OG-N 2.89Å; Q201-I203 VanDerWaalsContact C-N 3.3Å; Q201-I203 PolarHBondContact O-N 3.26Å; Q201-V204 PolarHBondContact O-N 3.39Å; Q201-F205 VanDerWaalsContact O-CB 3.31Å; Q201-F205 WeakPolarHBondContact O-CB 3.38Å; Q201-F205 PolarHBondContact O-N 3.37Å
202	L	42	Very low	41.3	Very low	51 Å²	51	80.7 Å²	80.7	27%	0.267	47%	0.465	S	S	.	.	H	α-helix	trans	-63.2	-37.5	173.2	-125.5	112.8	0	0	0	111.9	L197 S198 S199 R206	L197-L202 HydrophobicContact CB-CD1 3.99Å; S198-L202 PolarHBondContact O-N 3.21Å; S199-L202 PolarHBondContact O-N 3.33Å; L202-R206 WeakPolarHBondContact O-CB 3.38Å; L202-R206 WeakPolarHBondContact O-CG 3.27Å; L202-R206 PolarHBondContact O-N 2.89Å
203	I	50.4	Low	41.7	Very low	94 Å²	94	81 Å²	81	48%	0.482	45%	0.454	S	S	.	.	H	α-helix	trans	-65.4	-47.4	176	-70.6	162.5	0	0	0	110.7	S199 N200 Q201 R206 L207	S199-I203 WeakPolarHBondContact O-CD1 3.49Å; S199-I203 VanDerWaalsContact O-CG1 3.27Å; S199-I203 WeakPolarHBondContact O-CG1 3.33Å; S199-I203 PolarHBondContact O-N 3.16Å; N200-I203 WeakPolarHBondContact O-CB 3.49Å; N200-I203 PolarHBondContact O-N 3.06Å; Q201-I203 VanDerWaalsContact C-N 3.3Å; Q201-I203 PolarHBondContact O-N 3.26Å; I203-R206 PolarHBondContact O-N 3.29Å; I203-L207 HydrophobicContact CG2-CD1 3.69Å; I203-L207 HydrophobicContact CG2-CG 4.44Å; I203-L207 WeakPolarHBondContact O-CB 3.37Å; I203-L207 WeakPolarHBondContact O-CG 3.24Å; I203-L207 PolarHBondContact O-N 2.9Å
204	V	39.4	Very low	41.7	Very low	76 Å²	76	83 Å²	83	46%	0.461	45%	0.45	S	S	.	.	H	α-helix	trans	-61.8	-45.6	177.2	175.6	0	0	0	0	110.4	N200 Q201 R206 L207 C208	N200-V204 WeakPolarHBondContact O-CG2 3.3Å; N200-V204 PolarHBondContact O-N 3.48Å; Q201-V204 PolarHBondContact O-N 3.39Å; V204-R206 PolarHBondContact O-N 3.41Å; V204-L207 PolarHBondContact O-N 3.19Å; V204-C208 WeakPolarHBondContact O-CB 3.45Å; V204-C208 PolarHBondContact O-N 3.41Å; V204-C208 PolarHBondContact O-SG 3.47Å; V204-C208 VanDerWaalsContact O-SG 3.4Å
205	F	40.5	Very low	41.6	Very low	48 Å²	48	80.7 Å²	80.7	21%	0.211	44%	0.438	C	S	.	.	H	α-helix	trans	-61.2	-45.8	177.8	-172.8	-95.6	0	0	0	112	V178 M194 Q201 C208 Q209	V178-F205 HydrophobicContact CG1-CE2 4.47Å; M194-F205 HydrophobicContact CE-CD1 4.08Å; M194-F205 HydrophobicContact CE-CE1 3.35Å; M194-F205 HydrophobicContact CE-CZ 3.95Å; Q201-F205 VanDerWaalsContact O-CB 3.31Å; Q201-F205 WeakPolarHBondContact O-CB 3.38Å; Q201-F205 PolarHBondContact O-N 3.37Å; F205-C208 PolarHBondContact O-N 3.07Å; F205-Q209 HydrophobicContact CD1-CG 4.17Å; F205-Q209 HydrophobicContact CE1-CG 3.81Å; F205-Q209 HydrophobicContact CZ-CG 4.15Å; F205-Q209 WeakPolarHBondContact O-CB 3.5Å; F205-Q209 WeakPolarHBondContact O-CG 3.42Å; F205-Q209 PolarHBondContact O-N 2.84Å
206	R	42.7	Very low	41.5	Very low	160 Å²	160	77.3 Å²	77.3	60%	0.604	41%	0.405	S	S	*	.	H	α-helix	trans	-62.9	-41.4	174.4	-77	-171.5	-162.3	-119.4	4.6	112.3	L202 I203 V204 Q209 E210	L202-R206 WeakPolarHBondContact O-CB 3.38Å; L202-R206 WeakPolarHBondContact O-CG 3.27Å; L202-R206 PolarHBondContact O-N 2.89Å; I203-R206 PolarHBondContact O-N 3.29Å; V204-R206 PolarHBondContact O-N 3.41Å; R206-Q209 PolarHBondContact O-N 3.11Å; R206-E210 WeakPolarHBondContact O-CB 3.35Å; R206-E210 WeakPolarHBondContact O-CG 3.36Å; R206-E210 PolarHBondContact O-N 2.87Å
207	L	45.4	Very low	41.4	Very low	99 Å²	99	82 Å²	82	52%	0.518	41%	0.407	S	S	.	.	H	α-helix	trans	-63.6	-42	176.6	-81.4	163.4	0	0	0	111.6	I203 V204 R211	I203-L207 HydrophobicContact CG2-CD1 3.69Å; I203-L207 HydrophobicContact CG2-CG 4.44Å; I203-L207 WeakPolarHBondContact O-CB 3.37Å; I203-L207 WeakPolarHBondContact O-CG 3.24Å; I203-L207 PolarHBondContact O-N 2.9Å; V204-L207 PolarHBondContact O-N 3.19Å; L207-R211 WeakPolarHBondContact O-CB 3.39Å; L207-R211 WeakPolarHBondContact O-CG 3.47Å; L207-R211 PolarHBondContact O-N 3.05Å
208	C	42.1	Very low	40.9	Very low	22 Å²	22	81.2 Å²	81.2	15%	0.149	41%	0.409	C	S	.	.	H	α-helix	trans	-64.2	-45.2	174.3	-76.2	0	0	0	0	111.2	V204 F205 R211 A212	V204-C208 WeakPolarHBondContact O-CB 3.45Å; V204-C208 PolarHBondContact O-N 3.41Å; V204-C208 PolarHBondContact O-SG 3.47Å; V204-C208 VanDerWaalsContact O-SG 3.4Å; F205-C208 PolarHBondContact O-N 3.07Å; C208-R211 PolarHBondContact O-N 3.36Å; C208-A212 WeakPolarHBondContact O-CB 3.38Å; C208-A212 PolarHBondContact O-N 2.8Å
209	Q	42.9	Very low	40.7	Very low	78 Å²	78	78.8 Å²	78.8	36%	0.364	39%	0.392	S	S	.	.	H	α-helix	trans	-62.8	-43.3	175.6	-78.3	-165	-31.7	0	0	112.4	F205 R206 A212 K213	F205-Q209 HydrophobicContact CD1-CG 4.17Å; F205-Q209 HydrophobicContact CE1-CG 3.81Å; F205-Q209 HydrophobicContact CZ-CG 4.15Å; F205-Q209 WeakPolarHBondContact O-CB 3.5Å; F205-Q209 WeakPolarHBondContact O-CG 3.42Å; F205-Q209 PolarHBondContact O-N 2.84Å; R206-Q209 PolarHBondContact O-N 3.11Å; Q209-A212 PolarHBondContact O-N 3.05Å; Q209-K213 WeakPolarHBondContact O-CB 3.16Å; Q209-K213 VanDerWaalsContact O-CG 3.29Å; Q209-K213 WeakPolarHBondContact O-CG 2.94Å; Q209-K213 PolarHBondContact O-N 2.81Å
210	E	43.1	Very low	40.5	Very low	85 Å²	85	77.8 Å²	77.8	40%	0.397	39%	0.385	S	S	.	.	H	α-helix	trans	-67.9	-38.2	177.5	-76.1	-57.3	132.1	0	0	111.7	R206 K213 Q214	R206-E210 WeakPolarHBondContact O-CB 3.35Å; R206-E210 WeakPolarHBondContact O-CG 3.36Å; R206-E210 PolarHBondContact O-N 2.87Å; E210-K213 PolarHBondContact O-N 2.91Å; E210-K213 IonicContact OE1-NZ 3.81Å; E210-K213 PolarHBondContact OE1-NZ 2.99Å; E210-Q214 WeakPolarHBondContact O-CB 3.43Å; E210-Q214 VanDerWaalsContact O-CG 3.25Å; E210-Q214 WeakPolarHBondContact O-CG 3.32Å; E210-Q214 PolarHBondContact O-N 3.2Å
211	R	41.1	Very low	40.7	Very low	145 Å²	145	74.3 Å²	74.3	55%	0.547	37%	0.37	S	S	.	.	H	α-helix	trans	-66.4	-40.4	172.4	-80.8	-170.5	173.3	-167.6	-2.1	112.3	L207 C208 Q214 F215	L207-R211 WeakPolarHBondContact O-CB 3.39Å; L207-R211 WeakPolarHBondContact O-CG 3.47Å; L207-R211 PolarHBondContact O-N 3.05Å; C208-R211 PolarHBondContact O-N 3.36Å; R211-Q214 PolarHBondContact O-N 3.2Å; R211-F215 VanDerWaalsContact O-CB 3.27Å; R211-F215 WeakPolarHBondContact O-CB 3.3Å; R211-F215 PolarHBondContact O-N 2.84Å
212	A	38.4	Very low	40.9	Very low	24 Å²	24	81.6 Å²	81.6	20%	0.198	40%	0.396	C	S	.	.	H	α-helix	trans	-60.5	-52.5	172.6	0	0	0	0	0	109.5	C208 Q209 Q214 F215 F216	C208-A212 WeakPolarHBondContact O-CB 3.38Å; C208-A212 PolarHBondContact O-N 2.8Å; Q209-A212 PolarHBondContact O-N 3.05Å; A212-Q214 VanDerWaalsContact C-N 3.34Å; A212-Q214 PolarHBondContact O-N 3.48Å; A212-F215 CarbonylContact O-C 3.54Å; A212-F215 WeakPolarHBondContact O-CA 3.27Å; A212-F215 VanDerWaalsContact O-CB 3.3Å; A212-F215 WeakPolarHBondContact O-CB 3.43Å; A212-F215 PolarHBondContact O-N 3.04Å; A212-F216 HydrophobicContact CB-CD2 4.42Å; A212-F216 WeakPolarHBondContact O-CD2 3.34Å; A212-F216 PolarHBondContact O-N 3Å
213	K	36.2	Very low	41.2	Very low	104 Å²	104	81.8 Å²	81.8	45%	0.452	41%	0.405	S	S	.	.	H	α-helix	trans	-55.6	-44.3	176.1	-73.8	174.9	-169.4	170.2	0	112.8	Q209 E210 F215 F216 H217	Q209-K213 WeakPolarHBondContact O-CB 3.16Å; Q209-K213 VanDerWaalsContact O-CG 3.29Å; Q209-K213 WeakPolarHBondContact O-CG 2.94Å; Q209-K213 PolarHBondContact O-N 2.81Å; E210-K213 PolarHBondContact O-N 2.91Å; E210-K213 IonicContact OE1-NZ 3.81Å; E210-K213 PolarHBondContact OE1-NZ 2.99Å; K213-F215 VanDerWaalsContact C-N 3.35Å; K213-F216 CarbonylContact O-C 3.54Å; K213-F216 PolarHBondContact O-N 3.27Å; K213-H217 WeakPolarHBondContact O-CB 3.3Å; K213-H217 PolarHBondContact O-N 3.33Å
214	Q	36.5	Very low	41	Very low	122 Å²	122	80.5 Å²	80.5	57%	0.57	39%	0.393	S	S	*	.	H	α-helix	trans	-64.3	-39.7	174.9	-74.5	177.6	23.7	0	0	111.6	E210 R211 A212 F216 H217 A218	E210-Q214 WeakPolarHBondContact O-CB 3.43Å; E210-Q214 VanDerWaalsContact O-CG 3.25Å; E210-Q214 WeakPolarHBondContact O-CG 3.32Å; E210-Q214 PolarHBondContact O-N 3.2Å; R211-Q214 PolarHBondContact O-N 3.2Å; A212-Q214 VanDerWaalsContact C-N 3.34Å; A212-Q214 PolarHBondContact O-N 3.48Å; Q214-F216 VanDerWaalsContact C-N 3.28Å; Q214-F216 PolarHBondContact O-N 3.02Å; Q214-H217 PolarHBondContact O-N 3.25Å; Q214-A218 WeakPolarHBondContact O-CB 3.3Å; Q214-A218 PolarHBondContact O-N 3.33Å
215	F	34.8	Very low	41.4	Very low	30 Å²	30	78.6 Å²	78.6	13%	0.132	38%	0.382	C	S	.	.	H	α-helix	trans	-61	-40.9	173.3	-173.4	-94.9	0	0	0	110.8	R211 A212 K213 S219 R224 D273	R211-F215 VanDerWaalsContact O-CB 3.27Å; R211-F215 WeakPolarHBondContact O-CB 3.3Å; R211-F215 PolarHBondContact O-N 2.84Å; A212-F215 CarbonylContact O-C 3.54Å; A212-F215 WeakPolarHBondContact O-CA 3.27Å; A212-F215 VanDerWaalsContact O-CB 3.3Å; A212-F215 WeakPolarHBondContact O-CB 3.43Å; A212-F215 PolarHBondContact O-N 3.04Å; K213-F215 VanDerWaalsContact C-N 3.35Å; F215-S219 PolarHBondContact O-OG 3.45Å; F215-R224 PolarHBondContact O-NH1 3.32Å; F215-D273 HydrophobicContact CE1-CB 3.61Å; F215-D273 HydrophobicContact CZ-CB 4.05Å
216	F	33.6	Very low	42	Very low	28 Å²	28	81.2 Å²	81.2	12%	0.123	40%	0.395	C	S	.	.	H	α-helix	trans	-77.1	-29.3	-179.3	-79.6	-83.2	0	0	0	114.3	V152 M182 A212 K213 Q214 S219 R275	V152-F216 HydrophobicContact CG2-CE2 3.77Å; V152-F216 HydrophobicContact CG2-CZ 3.85Å; M182-F216 HydrophobicContact CE-CE1 4.12Å; M182-F216 HydrophobicContact CE-CE2 3.94Å; M182-F216 HydrophobicContact CE-CZ 3.41Å; M182-F216 VanDerWaalsContact CE-CZ 3.41Å; M182-F216 HydrophobicContact SD-CD1 4.33Å; M182-F216 HydrophobicContact SD-CD2 4Å; M182-F216 HydrophobicContact SD-CE1 3.73Å; M182-F216 HydrophobicContact SD-CE2 3.3Å; M182-F216 WeakPolarHBondContact SD-CE2 3.32Å; M182-F216 HydrophobicContact SD-CZ 3.21Å; M182-F216 WeakPolarHBondContact SD-CZ 3.47Å; A212-F216 HydrophobicContact CB-CD2 4.42Å; A212-F216 WeakPolarHBondContact O-CD2 3.34Å; A212-F216 PolarHBondContact O-N 3Å; K213-F216 CarbonylContact O-C 3.54Å; K213-F216 PolarHBondContact O-N 3.27Å; Q214-F216 VanDerWaalsContact C-N 3.28Å; Q214-F216 PolarHBondContact O-N 3.02Å; F216-S219 VanDerWaalsContact C-OG 3.26Å; F216-S219 WeakPolarHBondContact CA-OG 3.37Å; F216-S219 PolarHBondContact O-OG 3.34Å; F216-R275 VanDerWaalsContact O-CZ 3.25Å; F216-R275 PolarHBondContact O-NH1 3.36Å; F216-R275 PolarHBondContact O-NH2 3.31Å
217	H	35.2	Very low	42.6	Very low	172 Å²	172	79.3 Å²	79.3	80%	0.796	39%	0.391	S	S	*	.	H	α-helix	trans	-88.4	-28.6	175.9	-94.8	-77.2	0	0	0	113.1	K213 Q214 S219	K213-H217 WeakPolarHBondContact O-CB 3.3Å; K213-H217 PolarHBondContact O-N 3.33Å; Q214-H217 PolarHBondContact O-N 3.25Å; H217-S219 VanDerWaalsContact C-N 3.31Å
218	A	35.6	Very low	43	Very low	43 Å²	43	75 Å²	75	36%	0.355	37%	0.369	S	S	.	.	S	Bend	trans	-89.1	9.5	178.3	0	0	0	0	0	113.6	Q214 S220 S221	Q214-A218 WeakPolarHBondContact O-CB 3.3Å; Q214-A218 PolarHBondContact O-N 3.33Å; A218-S220 PolarHBondContact O-N 3.36Å; A218-S221 PolarHBondContact O-N 2.78Å
219	S	42.4	Very low	43.7	Very low	9 Å²	9	75 Å²	75	6%	0.063	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	7.2	-172.7	-32.3	0	0	0	0	115.3	F215 F216 H217 R275	F215-S219 PolarHBondContact O-OG 3.45Å; F216-S219 VanDerWaalsContact C-OG 3.26Å; F216-S219 WeakPolarHBondContact CA-OG 3.37Å; F216-S219 PolarHBondContact O-OG 3.34Å; H217-S219 VanDerWaalsContact C-N 3.31Å; S219-R275 PolarHBondContact OG-NH2 3.34Å
220	S	45	Very low	44.4	Very low	76 Å²	76	74.8 Å²	74.8	53%	0.531	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	5.4	175.1	-63.6	0	0	0	0	114.1	A218 R222 Q276	A218-S220 PolarHBondContact O-N 3.36Å; S220-R222 PolarHBondContact O-N 3.04Å; S220-Q276 PolarHBondContact OG-OE1 3.32Å
221	S	47	Very low	45.1	Very low	47 Å²	47	71.6 Å²	71.6	33%	0.329	35%	0.354	S	S	.	.			trans	-80.4	114.2	-174.4	77.1	0	0	0	0	112.4	A218 A223 R224	A218-S221 PolarHBondContact O-N 2.78Å; S221-A223 PolarHBondContact O-N 3.38Å; S221-R224 PolarHBondContact O-N 3.4Å; S221-R224 WeakPolarHBondContact OG-CG 3.31Å
222	R	45.5	Very low	45.7	Very low	201 Å²	201	64.7 Å²	64.7	76%	0.758	33%	0.328	S	S	*	.	H	α-helix	trans	-40.9	-38.7	170.3	-75.4	-178.7	173.7	168.8	-2.7	113.6	S220 R224 V225 E226	S220-R222 PolarHBondContact O-N 3.04Å; R222-R224 PolarHBondContact O-N 3.19Å; R222-V225 PolarHBondContact O-N 3.35Å; R222-E226 WeakPolarHBondContact O-CG 3.48Å; R222-E226 PolarHBondContact O-N 2.89Å
223	A	47.8	Very low	46.6	Very low	55 Å²	55	63.7 Å²	63.7	46%	0.455	32%	0.32	S	S	.	.	H	α-helix	trans	-57.8	-29.6	179.1	0	0	0	0	0	114.7	S221 K227	S221-A223 PolarHBondContact O-N 3.38Å; A223-K227 WeakPolarHBondContact O-CG 3.39Å; A223-K227 PolarHBondContact O-N 3.47Å; A223-K227 VanDerWaalsContact O-N 3.1Å
224	R	45.3	Very low	47.7	Very low	66 Å²	66	67.6 Å²	67.6	25%	0.249	33%	0.332	C	S	.	.	H	α-helix	trans	-79.3	-40	177.6	-75.2	-177.7	-162.4	179.9	5.2	111.9	F215 S221 R222 E226 K227 L228 F272	F215-R224 PolarHBondContact O-NH1 3.32Å; S221-R224 PolarHBondContact O-N 3.4Å; S221-R224 WeakPolarHBondContact OG-CG 3.31Å; R222-R224 PolarHBondContact O-N 3.19Å; R224-E226 VanDerWaalsContact C-N 3.3Å; R224-K227 WeakPolarHBondContact O-CB 3.4Å; R224-K227 PolarHBondContact O-N 2.88Å; R224-L228 PolarHBondContact O-N 3.09Å; R224-F272 HydrophobicContact CB-CD1 3.89Å; R224-F272 HydrophobicContact CB-CE1 4.33Å; R224-F272 HydrophobicContact CG-CD1 4.15Å; R224-F272 HydrophobicContact CG-CE1 4.33Å
225	V	49	Very low	48.4	Very low	36 Å²	36	65.3 Å²	65.3	22%	0.218	33%	0.326	C	S	.	.	H	α-helix	trans	-62.6	-41.7	172.5	177.9	0	0	0	0	109.8	R222 K227 L228 L229 A274 F278	R222-V225 PolarHBondContact O-N 3.35Å; V225-K227 VanDerWaalsContact C-N 3.33Å; V225-K227 PolarHBondContact O-N 3.09Å; V225-L228 WeakPolarHBondContact O-CB 3.46Å; V225-L228 PolarHBondContact O-N 2.98Å; V225-L229 HydrophobicContact CG1-CD1 4.11Å; V225-L229 HydrophobicContact CG1-CG 4.34Å; V225-L229 WeakPolarHBondContact O-CB 3.3Å; V225-L229 WeakPolarHBondContact O-CG 3.3Å; V225-L229 PolarHBondContact O-N 2.77Å; V225-A274 HydrophobicContact CG2-CB 4.27Å; V225-F278 HydrophobicContact CG1-CE1 3.52Å; V225-F278 HydrophobicContact CG1-CZ 3.52Å
226	E	52.2	Low	49.3	Very low	104 Å²	104	64.4 Å²	64.4	49%	0.486	32%	0.323	S	S	.	.	H	α-helix	trans	-60.1	-40.8	172.4	-73.9	174.2	176	0	0	112.3	R222 R224 L229 Q230	R222-E226 WeakPolarHBondContact O-CG 3.48Å; R222-E226 PolarHBondContact O-N 2.89Å; R224-E226 VanDerWaalsContact C-N 3.3Å; E226-L229 PolarHBondContact O-N 2.86Å; E226-Q230 VanDerWaalsContact O-CB 3.23Å; E226-Q230 WeakPolarHBondContact O-CB 3.23Å; E226-Q230 WeakPolarHBondContact O-CG 3.39Å; E226-Q230 PolarHBondContact O-N 3.18Å
227	K	56.1	Low	50.4	Low	119 Å²	119	72.7 Å²	72.7	52%	0.517	36%	0.359	S	S	.	.	H	α-helix	trans	-64.5	-38.1	174.4	-79.2	-178.4	-179.2	-173.2	0	112.8	A223 R224 V225 Q230 A231 F272	A223-K227 WeakPolarHBondContact O-CG 3.39Å; A223-K227 PolarHBondContact O-N 3.47Å; A223-K227 VanDerWaalsContact O-N 3.1Å; R224-K227 WeakPolarHBondContact O-CB 3.4Å; R224-K227 PolarHBondContact O-N 2.88Å; V225-K227 VanDerWaalsContact C-N 3.33Å; V225-K227 PolarHBondContact O-N 3.09Å; K227-Q230 PolarHBondContact O-N 2.71Å; K227-A231 WeakPolarHBondContact O-CB 3.42Å; K227-A231 PolarHBondContact O-N 3.14Å; K227-F272 HydrophobicContact CB-CE1 3.82Å; K227-F272 HydrophobicContact CB-CE2 4.34Å; K227-F272 HydrophobicContact CB-CZ 3.6Å; K227-F272 HydrophobicContact CD-CE1 4.11Å; K227-F272 HydrophobicContact CD-CZ 4.15Å
228	L	52.7	Low	51.4	Low	10 Å²	10	65.5 Å²	65.5	5%	0.052	33%	0.327	C	S	.	.	H	α-helix	trans	-63.1	-52.3	173.6	173.6	61.7	0	0	0	110.4	R224 V225 Q230 A231 I232 V261 L263 F272	R224-L228 PolarHBondContact O-N 3.09Å; V225-L228 WeakPolarHBondContact O-CB 3.46Å; V225-L228 PolarHBondContact O-N 2.98Å; L228-Q230 PolarHBondContact O-N 2.86Å; L228-A231 PolarHBondContact O-N 2.85Å; L228-I232 HydrophobicContact CD1-CD1 3.74Å; L228-I232 HydrophobicContact CD1-CG1 4.09Å; L228-I232 HydrophobicContact CG-CD1 3.88Å; L228-I232 WeakPolarHBondContact O-CB 3.4Å; L228-I232 WeakPolarHBondContact O-CG1 3.23Å; L228-I232 PolarHBondContact O-N 2.78Å; L228-V261 HydrophobicContact CD2-CB 4.08Å; L228-V261 HydrophobicContact CD2-CG1 3.95Å; L228-L263 HydrophobicContact CD1-CD1 3.52Å; L228-L263 HydrophobicContact CD1-CD2 3.81Å; L228-L263 HydrophobicContact CD1-CG 3.39Å; L228-F272 HydrophobicContact CB-CD2 4.24Å; L228-F272 HydrophobicContact CB-CG 4.43Å; L228-F272 HydrophobicContact CD1-CD2 4.45Å
229	L	56.6	Low	52.3	Low	20 Å²	20	67 Å²	67	11%	0.105	33%	0.332	C	S	.	.	H	α-helix	trans	-60.5	-33.4	176.5	-66.7	176.5	0	0	0	111.7	V225 E226 G233 N240 V243 F278	V225-L229 HydrophobicContact CG1-CD1 4.11Å; V225-L229 HydrophobicContact CG1-CG 4.34Å; V225-L229 WeakPolarHBondContact O-CB 3.3Å; V225-L229 WeakPolarHBondContact O-CG 3.3Å; V225-L229 PolarHBondContact O-N 2.77Å; E226-L229 PolarHBondContact O-N 2.86Å; L229-G233 WeakPolarHBondContact O-CA 3.43Å; L229-G233 PolarHBondContact O-N 2.81Å; L229-N240 HydrophobicContact CB-CB 4.17Å; L229-N240 PolarHBondContact O-OD1 2.84Å; L229-V243 HydrophobicContact CD2-CB 4.22Å; L229-V243 HydrophobicContact CD2-CG1 3.63Å; L229-F278 HydrophobicContact CD1-CE1 4.31Å; L229-F278 HydrophobicContact CD1-CZ 4.33Å
230	Q	59.3	Low	53	Low	74 Å²	74	69.5 Å²	69.5	35%	0.346	35%	0.345	S	S	.	.	H	α-helix	trans	-69.4	-39.4	171.9	-78.2	169.2	22	0	0	113.2	E226 K227 L228 R234 N240	E226-Q230 VanDerWaalsContact O-CB 3.23Å; E226-Q230 WeakPolarHBondContact O-CB 3.23Å; E226-Q230 WeakPolarHBondContact O-CG 3.39Å; E226-Q230 PolarHBondContact O-N 3.18Å; K227-Q230 PolarHBondContact O-N 2.71Å; L228-Q230 PolarHBondContact O-N 2.86Å; Q230-R234 WeakPolarHBondContact O-CB 3.24Å; Q230-R234 WeakPolarHBondContact O-CG 3.42Å; Q230-R234 PolarHBondContact O-N 2.9Å; Q230-R234 PolarHBondContact O-NE 3.31Å; Q230-N240 VanDerWaalsContact CA-OD1 3.26Å; Q230-N240 WeakPolarHBondContact CA-OD1 3.27Å; Q230-N240 WeakPolarHBondContact CG-ND2 3.35Å
231	A	56.4	Low	53.6	Low	18 Å²	18	70.3 Å²	70.3	15%	0.149	35%	0.346	C	S	.	.	H	α-helix	trans	-67.6	-47.3	175.8	0	0	0	0	0	110.3	K227 L228 R234 T235 L263	K227-A231 WeakPolarHBondContact O-CB 3.42Å; K227-A231 PolarHBondContact O-N 3.14Å; L228-A231 PolarHBondContact O-N 2.85Å; A231-R234 PolarHBondContact O-N 2.91Å; A231-T235 PolarHBondContact O-N 3.02Å; A231-T235 PolarHBondContact O-OG1 2.96Å; A231-L263 HydrophobicContact CB-CD1 3.58Å
232	I	55.3	Low	54.1	Low	1 Å²	1	73.5 Å²	73.5	1%	0.005	36%	0.356	C	S	.	.	H	α-helix	trans	-61.4	-48.2	174.9	-64.7	175.6	0	0	0	110.4	F82 I136 L228 R234 T235 L236 V243 F247	F82-I232 HydrophobicContact CZ-CG2 4.17Å; I136-I232 HydrophobicContact CD1-CD1 4.17Å; I136-I232 HydrophobicContact CD1-CG1 3.82Å; L228-I232 HydrophobicContact CD1-CD1 3.74Å; L228-I232 HydrophobicContact CD1-CG1 4.09Å; L228-I232 HydrophobicContact CG-CD1 3.88Å; L228-I232 WeakPolarHBondContact O-CB 3.4Å; L228-I232 WeakPolarHBondContact O-CG1 3.23Å; L228-I232 PolarHBondContact O-N 2.78Å; I232-R234 VanDerWaalsContact C-N 3.35Å; I232-R234 PolarHBondContact O-N 2.87Å; I232-T235 WeakPolarHBondContact O-CB 3.37Å; I232-T235 PolarHBondContact O-N 3.32Å; I232-T235 VanDerWaalsContact O-N 3.14Å; I232-L236 HydrophobicContact CG2-CD1 3.43Å; I232-L236 VanDerWaalsContact CG2-CD1 3.43Å; I232-L236 HydrophobicContact CG2-CG 4.02Å; I232-L236 VanDerWaalsContact O-CB 3.32Å; I232-L236 WeakPolarHBondContact O-CB 3.41Å; I232-L236 WeakPolarHBondContact O-CG 3.5Å; I232-L236 PolarHBondContact O-N 3.18Å; I232-V243 HydrophobicContact CB-CG1 3.99Å; I232-V243 HydrophobicContact CG2-CB 4.43Å; I232-V243 HydrophobicContact CG2-CG1 3.37Å; I232-V243 HydrophobicContact CG2-CG2 4.17Å; I232-F247 HydrophobicContact CD1-CE2 4.03Å; I232-F247 HydrophobicContact CD1-CZ 4.02Å; I232-F247 HydrophobicContact CG2-CE2 4.43Å
233	G	55.9	Low	54.7	Low	3 Å²	3	63.9 Å²	63.9	3%	0.031	32%	0.32	C	S	.	.	H	α-helix	trans	-59.6	-42	177.6	0	0	0	0	0	112.7	L229 L236 K237 T238	L229-G233 WeakPolarHBondContact O-CA 3.43Å; L229-G233 PolarHBondContact O-N 2.81Å; G233-L236 PolarHBondContact O-N 2.73Å; G233-K237 WeakPolarHBondContact O-CA 3.23Å; G233-K237 PolarHBondContact O-N 2.89Å; G233-T238 CarbonylContact C-O 3.48Å; G233-T238 VanDerWaalsContact CA-O 3.31Å; G233-T238 WeakPolarHBondContact CA-O 3.23Å; G233-T238 PolarHBondContact O-N 3.16Å; G233-T238 VanDerWaalsContact O-N 3.15Å
234	R	59.1	Low	54.9	Low	186 Å²	186	61.8 Å²	61.8	70%	0.702	30%	0.303	S	S	*	.	H	α-helix	trans	-60.7	-45.4	172.6	-81.3	-176.8	-74.7	175.6	-1.6	111.8	Q230 A231 I232 L236	Q230-R234 WeakPolarHBondContact O-CB 3.24Å; Q230-R234 WeakPolarHBondContact O-CG 3.42Å; Q230-R234 PolarHBondContact O-N 2.9Å; Q230-R234 PolarHBondContact O-NE 3.31Å; A231-R234 PolarHBondContact O-N 2.91Å; I232-R234 VanDerWaalsContact C-N 3.35Å; I232-R234 PolarHBondContact O-N 2.87Å; R234-L236 VanDerWaalsContact C-N 3.34Å
235	T	52.6	Low	55.7	Low	73 Å²	73	65.2 Å²	65.2	45%	0.448	32%	0.32	S	S	.	.	H	α-helix	trans	-62.3	-42.1	176.5	-62.5	0	0	0	0	111.7	P50 F82 A231 I232	P50-T235 HydrophobicContact CB-CG2 3.73Å; P50-T235 HydrophobicContact CG-CG2 3.41Å; P50-T235 VanDerWaalsContact CG-CG2 3.41Å; F82-T235 HydrophobicContact CE1-CG2 4.2Å; A231-T235 PolarHBondContact O-N 3.02Å; A231-T235 PolarHBondContact O-OG1 2.96Å; I232-T235 WeakPolarHBondContact O-CB 3.37Å; I232-T235 PolarHBondContact O-N 3.32Å; I232-T235 VanDerWaalsContact O-N 3.14Å
236	L	53.8	Low	56	Low	11 Å²	11	63.8 Å²	63.8	6%	0.058	31%	0.311	C	S	.	.	H	α-helix	trans	-88.9	-2.8	-173.7	-64.5	178.1	0	0	0	114.6	I78 K81 F82 I232 G233 R234 T238 V243	I78-L236 HydrophobicContact CG2-CD1 3.82Å; K81-L236 HydrophobicContact CB-CD2 3.32Å; K81-L236 HydrophobicContact CD-CB 4.08Å; K81-L236 HydrophobicContact CD-CD2 3.54Å; K81-L236 HydrophobicContact CD-CG 4.33Å; K81-L236 HydrophobicContact CG-CD2 4.07Å; K81-L236 PolarHBondContact NZ-O 2.95Å; F82-L236 HydrophobicContact CD2-CD2 3.87Å; F82-L236 HydrophobicContact CE1-CD2 4.12Å; F82-L236 HydrophobicContact CE2-CD1 3.74Å; F82-L236 HydrophobicContact CE2-CD2 3.13Å; F82-L236 HydrophobicContact CE2-CG 3.76Å; F82-L236 HydrophobicContact CZ-CD1 3.92Å; F82-L236 HydrophobicContact CZ-CD2 3.27Å; F82-L236 HydrophobicContact CZ-CG 3.62Å; I232-L236 HydrophobicContact CG2-CD1 3.43Å; I232-L236 VanDerWaalsContact CG2-CD1 3.43Å; I232-L236 HydrophobicContact CG2-CG 4.02Å; I232-L236 VanDerWaalsContact O-CB 3.32Å; I232-L236 WeakPolarHBondContact O-CB 3.41Å; I232-L236 WeakPolarHBondContact O-CG 3.5Å; I232-L236 PolarHBondContact O-N 3.18Å; G233-L236 PolarHBondContact O-N 2.73Å; R234-L236 VanDerWaalsContact C-N 3.34Å; L236-T238 HydrophobicContact CB-CG2 3.26Å; L236-T238 HydrophobicContact CD1-CG2 3.91Å; L236-T238 HydrophobicContact CG-CG2 4.27Å; L236-T238 PolarHBondContact O-N 3.39Å; L236-V243 HydrophobicContact CD1-CG2 3.91Å
237	K	56.5	Low	56.4	Low	202 Å²	202	59.4 Å²	59.4	88%	0.878	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.7	35.7	-170.5	-57.5	179.4	-178.6	176.2	0	112.9	G233	G233-K237 WeakPolarHBondContact O-CA 3.23Å; G233-K237 PolarHBondContact O-N 2.89Å
238	T	56.1	Low	56.5	Low	21 Å²	21	58 Å²	58	13%	0.129	29%	0.286	C	S	.	.	S	Bend	trans	-123.2	160.4	177.3	160.3	0	0	0	0	109.7	G233 L236 E242 V243	G233-T238 CarbonylContact C-O 3.48Å; G233-T238 VanDerWaalsContact CA-O 3.31Å; G233-T238 WeakPolarHBondContact CA-O 3.23Å; G233-T238 PolarHBondContact O-N 3.16Å; G233-T238 VanDerWaalsContact O-N 3.15Å; L236-T238 HydrophobicContact CB-CG2 3.26Å; L236-T238 HydrophobicContact CD1-CG2 3.91Å; L236-T238 HydrophobicContact CG-CG2 4.27Å; L236-T238 PolarHBondContact O-N 3.39Å; T238-E242 WeakPolarHBondContact OG1-CB 3.47Å; T238-E242 PolarHBondContact OG1-OE2 3.08Å; T238-V243 HydrophobicContact CG2-CG2 3.6Å
239	T	53.9	Low	56.8	Low	76 Å²	76	58.6 Å²	58.6	47%	0.466	29%	0.291	S	S	.	.			trans	-68.8	146.5	179.1	69.7	0	0	0	0	110.9	V241 E242 V243	T239-V241 PolarHBondContact O-N 3.02Å; T239-E242 PolarHBondContact O-N 3.46Å; T239-E242 VanDerWaalsContact O-N 3.13Å; T239-E242 PolarHBondContact OG1-N 3.45Å; T239-V243 PolarHBondContact O-N 3.41Å
240	N	57.4	Low	56.6	Low	61 Å²	61	57.7 Å²	57.7	33%	0.326	29%	0.286	S	S	.	.	H	α-helix	trans	-56.8	-24.4	176.7	-52	-25	0	0	0	112.6	L229 Q230 G244	L229-N240 HydrophobicContact CB-CB 4.17Å; L229-N240 PolarHBondContact O-OD1 2.84Å; Q230-N240 VanDerWaalsContact CA-OD1 3.26Å; Q230-N240 WeakPolarHBondContact CA-OD1 3.27Å; Q230-N240 WeakPolarHBondContact CG-ND2 3.35Å; N240-G244 PolarHBondContact O-N 3.12Å
241	V	57.7	Low	56.5	Low	92 Å²	92	56.3 Å²	56.3	56%	0.558	28%	0.278	S	S	*	.	H	α-helix	trans	-70.9	-45.7	179.6	179.9	0	0	0	0	111.2	T239 G244 K245	T239-V241 PolarHBondContact O-N 3.02Å; V241-G244 PolarHBondContact O-N 3.43Å; V241-K245 HydrophobicContact CG1-CD 4.31Å; V241-K245 WeakPolarHBondContact O-CB 3.31Å; V241-K245 VanDerWaalsContact O-CG 3.32Å; V241-K245 WeakPolarHBondContact O-CG 3.32Å; V241-K245 PolarHBondContact O-N 3.3Å
242	E	57.8	Low	56.5	Low	114 Å²	114	61.4 Å²	61.4	53%	0.533	30%	0.303	S	S	.	.	H	α-helix	trans	-65.5	-45.2	178	-75.7	171	-172.5	0	0	111.1	T238 T239 G244 K245 A246	T238-E242 WeakPolarHBondContact OG1-CB 3.47Å; T238-E242 PolarHBondContact OG1-OE2 3.08Å; T239-E242 PolarHBondContact O-N 3.46Å; T239-E242 VanDerWaalsContact O-N 3.13Å; T239-E242 PolarHBondContact OG1-N 3.45Å; E242-G244 PolarHBondContact O-N 3.19Å; E242-K245 PolarHBondContact O-N 2.96Å; E242-A246 PolarHBondContact O-N 3.15Å
243	V	56.6	Low	56.5	Low	0 Å²	0	64 Å²	64	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-58.4	-49.6	174	-178.6	0	0	0	0	110.3	L229 I232 L236 T238 T239 K245 A246 F247	L229-V243 HydrophobicContact CD2-CB 4.22Å; L229-V243 HydrophobicContact CD2-CG1 3.63Å; I232-V243 HydrophobicContact CB-CG1 3.99Å; I232-V243 HydrophobicContact CG2-CB 4.43Å; I232-V243 HydrophobicContact CG2-CG1 3.37Å; I232-V243 HydrophobicContact CG2-CG2 4.17Å; L236-V243 HydrophobicContact CD1-CG2 3.91Å; T238-V243 HydrophobicContact CG2-CG2 3.6Å; T239-V243 PolarHBondContact O-N 3.41Å; V243-K245 VanDerWaalsContact C-N 3.34Å; V243-K245 PolarHBondContact O-N 3.22Å; V243-A246 PolarHBondContact O-N 2.7Å; V243-F247 HydrophobicContact CG1-CD2 3.71Å; V243-F247 HydrophobicContact CG1-CE2 3.82Å; V243-F247 WeakPolarHBondContact O-CD2 3.36Å; V243-F247 PolarHBondContact O-N 2.71Å
244	G	52.2	Low	56.5	Low	10 Å²	10	64.9 Å²	64.9	10%	0.103	32%	0.321	C	S	.	.	H	α-helix	trans	-58.7	-43.9	179.5	0	0	0	0	0	112.8	N240 V241 E242 Q248	N240-G244 PolarHBondContact O-N 3.12Å; V241-G244 PolarHBondContact O-N 3.43Å; E242-G244 PolarHBondContact O-N 3.19Å; G244-Q248 VanDerWaalsContact O-CB 3.24Å; G244-Q248 WeakPolarHBondContact O-CB 3.05Å; G244-Q248 PolarHBondContact O-N 3.38Å
245	K	61.7	Low	55.9	Low	138 Å²	138	59.6 Å²	59.6	60%	0.6	32%	0.318	S	S	*	.	H	α-helix	trans	-63.4	-45.9	178.8	-78	179.3	179.3	-175.4	0	112.7	V241 E242 V243 Q248 S249	V241-K245 HydrophobicContact CG1-CD 4.31Å; V241-K245 WeakPolarHBondContact O-CB 3.31Å; V241-K245 VanDerWaalsContact O-CG 3.32Å; V241-K245 WeakPolarHBondContact O-CG 3.32Å; V241-K245 PolarHBondContact O-N 3.3Å; E242-K245 PolarHBondContact O-N 2.96Å; V243-K245 VanDerWaalsContact C-N 3.34Å; V243-K245 PolarHBondContact O-N 3.22Å; K245-Q248 PolarHBondContact O-N 2.87Å; K245-S249 WeakPolarHBondContact O-CB 3.33Å; K245-S249 PolarHBondContact O-N 3.34Å; K245-S249 PolarHBondContact O-OG 3.26Å
246	A	56.7	Low	55.8	Low	6 Å²	6	62.5 Å²	62.5	5%	0.05	33%	0.33	C	S	.	.	H	α-helix	trans	-67.4	-40.6	179.9	0	0	0	0	0	112.4	E74 I78 E242 V243 Q248 S249 G250	E74-A246 HydrophobicContact CB-CB 4.1Å; E74-A246 WeakPolarHBondContact O-CB 3.43Å; I78-A246 HydrophobicContact CD1-CB 3.22Å; I78-A246 HydrophobicContact CG1-CB 4.02Å; E242-A246 PolarHBondContact O-N 3.15Å; V243-A246 PolarHBondContact O-N 2.7Å; A246-Q248 VanDerWaalsContact C-N 3.34Å; A246-S249 WeakPolarHBondContact CA-OG 3.38Å; A246-S249 PolarHBondContact O-N 3.45Å; A246-S249 PolarHBondContact O-OG 2.93Å; A246-G250 PolarHBondContact O-N 3.19Å
247	F	60	Low	55.4	Low	12 Å²	12	64.6 Å²	64.6	5%	0.053	34%	0.344	C	S	.	.	H	α-helix	trans	-62.6	-43.2	172	-90.3	-89.4	0	0	0	110.9	F69 M75 F138 I232 V243 W251 V261	F69-F247 HydrophobicContact CZ-CD1 4.27Å; F69-F247 HydrophobicContact CZ-CE1 4.41Å; M75-F247 HydrophobicContact CE-CZ 4.36Å; F138-F247 HydrophobicContact CD2-CE1 4.49Å; F138-F247 HydrophobicContact CE2-CE1 4.35Å; I232-F247 HydrophobicContact CD1-CE2 4.03Å; I232-F247 HydrophobicContact CD1-CZ 4.02Å; I232-F247 HydrophobicContact CG2-CE2 4.43Å; V243-F247 HydrophobicContact CG1-CD2 3.71Å; V243-F247 HydrophobicContact CG1-CE2 3.82Å; V243-F247 WeakPolarHBondContact O-CD2 3.36Å; V243-F247 PolarHBondContact O-N 2.71Å; F247-W251 VanDerWaalsContact O-CB 3.26Å; F247-W251 WeakPolarHBondContact O-CB 3.32Å; F247-W251 PolarHBondContact O-N 3.06Å; F247-V261 HydrophobicContact CE1-CG2 4.46Å
248	Q	58.8	Low	55	Low	91 Å²	91	58.9 Å²	58.9	43%	0.425	33%	0.327	S	S	.	.	H	α-helix	trans	-65.3	-41.8	178.6	-173.7	176.7	15.7	0	0	112.5	G244 K245 A246 W251 N252 F278	G244-Q248 VanDerWaalsContact O-CB 3.24Å; G244-Q248 WeakPolarHBondContact O-CB 3.05Å; G244-Q248 PolarHBondContact O-N 3.38Å; K245-Q248 PolarHBondContact O-N 2.87Å; A246-Q248 VanDerWaalsContact C-N 3.34Å; Q248-W251 WeakPolarHBondContact O-CB 3.38Å; Q248-W251 PolarHBondContact O-N 3.36Å; Q248-N252 PolarHBondContact O-N 3.11Å; Q248-F278 HydrophobicContact CB-CD2 4.41Å; Q248-F278 HydrophobicContact CG-CB 4.47Å; Q248-F278 HydrophobicContact CG-CD2 4.5Å
249	S	58	Low	54.7	Low	22 Å²	22	58.1 Å²	58.1	15%	0.154	32%	0.323	C	S	.	.	H	α-helix	trans	-67.9	-43.5	179	65.4	0	0	0	0	111.3	F72 K245 A246 W251 N252	F72-S249 WeakPolarHBondContact CE1-OG 3.43Å; K245-S249 WeakPolarHBondContact O-CB 3.33Å; K245-S249 PolarHBondContact O-N 3.34Å; K245-S249 PolarHBondContact O-OG 3.26Å; A246-S249 WeakPolarHBondContact CA-OG 3.38Å; A246-S249 PolarHBondContact O-N 3.45Å; A246-S249 PolarHBondContact O-OG 2.93Å; S249-W251 VanDerWaalsContact C-N 3.3Å; S249-W251 PolarHBondContact O-N 2.92Å; S249-N252 PolarHBondContact O-N 3.09Å
250	G	52.7	Low	54.7	Low	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-63.9	-34.4	171.3	0	0	0	0	0	112.5	F69 A246 N252 V253	F69-G250 VanDerWaalsContact CD2-C 3.5Å; F69-G250 WeakPolarHBondContact CD2-O 3.31Å; A246-G250 PolarHBondContact O-N 3.19Å; G250-N252 PolarHBondContact O-N 3.21Å; G250-V253 WeakPolarHBondContact O-CB 3.48Å; G250-V253 VanDerWaalsContact O-CG2 3.24Å; G250-V253 WeakPolarHBondContact O-CG2 3.17Å; G250-V253 PolarHBondContact O-N 3.46Å
251	W	58.2	Low	54.6	Low	46 Å²	46	54.4 Å²	54.4	17%	0.174	30%	0.296	C	S	.	.	H	α-helix	trans	-59.6	-32.9	179.8	-155.9	-77.3	0	0	0	112.9	F247 Q248 S249 V253 F254 V259 V261	F247-W251 VanDerWaalsContact O-CB 3.26Å; F247-W251 WeakPolarHBondContact O-CB 3.32Å; F247-W251 PolarHBondContact O-N 3.06Å; Q248-W251 WeakPolarHBondContact O-CB 3.38Å; Q248-W251 PolarHBondContact O-N 3.36Å; S249-W251 VanDerWaalsContact C-N 3.3Å; S249-W251 PolarHBondContact O-N 2.92Å; W251-V253 PolarHBondContact O-N 2.89Å; W251-V253 VanDerWaalsContact O-N 3.15Å; W251-F254 PolarHBondContact O-N 2.99Å; W251-V259 HydrophobicContact CE3-CG1 4.39Å; W251-V259 HydrophobicContact CH2-CB 3.64Å; W251-V259 HydrophobicContact CH2-CG1 3.78Å; W251-V259 VanDerWaalsContact CH2-O 3.29Å; W251-V259 WeakPolarHBondContact CH2-O 3.04Å; W251-V259 HydrophobicContact CZ2-CB 3.56Å; W251-V259 HydrophobicContact CZ2-CG1 4.21Å; W251-V259 HydrophobicContact CZ2-CG2 4.49Å; W251-V259 WeakPolarHBondContact CZ2-O 3.26Å; W251-V259 HydrophobicContact CZ3-CB 4.15Å; W251-V259 HydrophobicContact CZ3-CG1 3.87Å; W251-V261 HydrophobicContact CZ3-CG2 4Å
252	N	55.6	Low	54.6	Low	125 Å²	125	50.2 Å²	50.2	67%	0.668	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-61.7	-21.4	178	-68.2	-28.8	0	0	0	112.6	Q248 S249 G250 F254 A255	Q248-N252 PolarHBondContact O-N 3.11Å; S249-N252 PolarHBondContact O-N 3.09Å; G250-N252 PolarHBondContact O-N 3.21Å; N252-F254 PolarHBondContact O-N 3.21Å; N252-A255 PolarHBondContact O-N 3.49Å
253	V	56.3	Low	54.4	Low	56 Å²	56	45.8 Å²	45.8	34%	0.339	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-64.9	-29.7	174.7	-178.2	0	0	0	0	111.6	F72 G250 W251 A255	F72-V253 HydrophobicContact CD2-CG2 4.48Å; G250-V253 WeakPolarHBondContact O-CB 3.48Å; G250-V253 VanDerWaalsContact O-CG2 3.24Å; G250-V253 WeakPolarHBondContact O-CG2 3.17Å; G250-V253 PolarHBondContact O-N 3.46Å; W251-V253 PolarHBondContact O-N 2.89Å; W251-V253 VanDerWaalsContact O-N 3.15Å; V253-A255 VanDerWaalsContact C-N 3.31Å; V253-A255 PolarHBondContact O-N 3.23Å
254	F	55.1	Low	54.4	Low	20 Å²	20	45.9 Å²	45.9	9%	0.088	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-87.1	10.8	-176.5	-69.1	-72.1	0	0	0	114.6	C65 F66 F69 F138 V140 W251 N252 D256 V257 V259	C65-F254 VanDerWaalsContact O-CE1 3.24Å; C65-F254 WeakPolarHBondContact O-CE1 3.41Å; F66-F254 HydrophobicContact CD1-CZ 4.33Å; F69-F254 HydrophobicContact CB-CE2 3.63Å; F69-F254 HydrophobicContact CB-CZ 3.68Å; F69-F254 HydrophobicContact CD1-CE2 4.35Å; F69-F254 HydrophobicContact CD2-CD2 4.14Å; F69-F254 AromaticContact CD2-CE2 3.43Å; F69-F254 HydrophobicContact CD2-CE2 3.43Å; F69-F254 VanDerWaalsContact CD2-CE2 3.43Å; F69-F254 HydrophobicContact CD2-CZ 4.33Å; F69-F254 HydrophobicContact CE2-CE2 4.14Å; F69-F254 AromaticContact CG-CE2 3.55Å; F69-F254 HydrophobicContact CG-CE2 3.55Å; F69-F254 HydrophobicContact CG-CZ 4Å; F138-F254 HydrophobicContact CE1-CE2 4.06Å; F138-F254 HydrophobicContact CE1-CZ 4.01Å; F138-F254 AromaticContact CZ-CE2 3.84Å; F138-F254 HydrophobicContact CZ-CE2 3.84Å; F138-F254 HydrophobicContact CZ-CZ 4.28Å; V140-F254 HydrophobicContact CG2-CD1 4.36Å; V140-F254 HydrophobicContact CG2-CE1 3.85Å; V140-F254 HydrophobicContact CG2-CZ 4.22Å; W251-F254 PolarHBondContact O-N 2.99Å; N252-F254 PolarHBondContact O-N 3.21Å; F254-D256 PolarHBondContact O-N 3.32Å; F254-V257 HydrophobicContact CB-CB 4.44Å; F254-V257 VanDerWaalsContact O-CB 3.23Å; F254-V257 WeakPolarHBondContact O-CB 3.44Å; F254-V257 VanDerWaalsContact O-CG2 3.23Å; F254-V257 WeakPolarHBondContact O-CG2 3.34Å; F254-V257 PolarHBondContact O-N 3.2Å; F254-V259 HydrophobicContact CB-CG2 3.59Å; F254-V259 HydrophobicContact CD1-CG2 3.97Å; F254-V259 HydrophobicContact CD2-CG2 3.57Å; F254-V259 HydrophobicContact CE2-CG2 4.18Å; F254-V259 HydrophobicContact CG-CG2 3.44Å; F254-V259 VanDerWaalsContact CG-CG2 3.44Å
255	A	46.9	Very low	54.5	Low	75 Å²	75	45.9 Å²	45.9	62%	0.62	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	19.9	74.6	167.8	0	0	0	0	0	116	N252 V253 V257	N252-A255 PolarHBondContact O-N 3.49Å; V253-A255 VanDerWaalsContact C-N 3.31Å; V253-A255 PolarHBondContact O-N 3.23Å; A255-V257 VanDerWaalsContact C-N 3.32Å; A255-V257 PolarHBondContact O-N 3.24Å
256	D	51	Low	54.2	Low	134 Å²	134	41.6 Å²	41.6	72%	0.717	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.4	4.5	178.2	-61	-39.8	0	0	0	118.2	F254 K277	F254-D256 PolarHBondContact O-N 3.32Å; D256-K277 WeakPolarHBondContact OD1-CE 3.43Å; D256-K277 IonicContact OD1-NZ 2.95Å; D256-K277 PolarHBondContact OD1-NZ 3.36Å
257	V	45.6	Very low	53.8	Low	55 Å²	55	46.7 Å²	46.7	33%	0.333	26%	0.263	S	S	.	.			trans	-76.2	134.2	172.8	-172.9	0	0	0	0	110.1	V140 F254 A255 V259	V140-V257 HydrophobicContact CG1-CB 4.42Å; V140-V257 HydrophobicContact CG1-CG1 3.32Å; F254-V257 HydrophobicContact CB-CB 4.44Å; F254-V257 VanDerWaalsContact O-CB 3.23Å; F254-V257 WeakPolarHBondContact O-CB 3.44Å; F254-V257 VanDerWaalsContact O-CG2 3.23Å; F254-V257 WeakPolarHBondContact O-CG2 3.34Å; F254-V257 PolarHBondContact O-N 3.2Å; A255-V257 VanDerWaalsContact C-N 3.32Å; A255-V257 PolarHBondContact O-N 3.24Å; V257-V259 PolarHBondContact O-N 3.44Å
258	P	47.6	Very low	53.2	Low	83 Å²	83	52.2 Å²	52.2	54%	0.539	29%	0.289	S	S	.	.			trans	-69.4	96.6	176.2	28.1	-34.1	0	0	0	110.7	G141	G141-P258 PolarHBondContact N-O 2.97Å
259	V	48.6	Very low	52.5	Low	5 Å²	5	52.9 Å²	52.9	3%	0.03	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	140.8	168.5	-178.7	0	0	0	0	109.2	F138 V140 W251 F254 V257	F138-V259 HydrophobicContact CE1-CG1 4.11Å; F138-V259 HydrophobicContact CE2-CG1 3.76Å; F138-V259 HydrophobicContact CZ-CG1 3.49Å; F138-V259 VanDerWaalsContact CZ-CG1 3.49Å; V140-V259 HydrophobicContact CG2-CG2 4.25Å; W251-V259 HydrophobicContact CE3-CG1 4.39Å; W251-V259 HydrophobicContact CH2-CB 3.64Å; W251-V259 HydrophobicContact CH2-CG1 3.78Å; W251-V259 VanDerWaalsContact CH2-O 3.29Å; W251-V259 WeakPolarHBondContact CH2-O 3.04Å; W251-V259 HydrophobicContact CZ2-CB 3.56Å; W251-V259 HydrophobicContact CZ2-CG1 4.21Å; W251-V259 HydrophobicContact CZ2-CG2 4.49Å; W251-V259 WeakPolarHBondContact CZ2-O 3.26Å; W251-V259 HydrophobicContact CZ3-CB 4.15Å; W251-V259 HydrophobicContact CZ3-CG1 3.87Å; F254-V259 HydrophobicContact CB-CG2 3.59Å; F254-V259 HydrophobicContact CD1-CG2 3.97Å; F254-V259 HydrophobicContact CD2-CG2 3.57Å; F254-V259 HydrophobicContact CE2-CG2 4.18Å; F254-V259 HydrophobicContact CG-CG2 3.44Å; F254-V259 VanDerWaalsContact CG-CG2 3.44Å; V257-V259 PolarHBondContact O-N 3.44Å
260	R	55.2	Low	51.7	Low	55 Å²	55	54 Å²	54	21%	0.208	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	139.4	172.7	-58.2	-177	-174.9	-126.7	8.9	110.8	G139 A144 C148 D273 R275	G139-R260 PolarHBondContact N-O 2.98Å; G139-R260 PolarHBondContact O-N 2.74Å; A144-R260 HydrophobicContact CB-CB 3.84Å; A144-R260 HydrophobicContact CB-CG 3.76Å; C148-R260 WeakPolarHBondContact SG-CD 3.4Å; R260-D273 WeakPolarHBondContact CD-OD1 3.39Å; R260-D273 IonicContact CZ-OD1 2.75Å; R260-D273 IonicContact NH1-OD1 3.14Å; R260-D273 PolarHBondContact NH1-OD1 3.32Å; R260-D273 IonicContact NH1-OD2 2.83Å; R260-D273 PolarHBondContact NH1-OD2 2.97Å; R260-R275 VanDerWaalsContact NH1-CD 3.34Å
261	V	55.3	Low	51.4	Low	4 Å²	4	54.6 Å²	54.6	2%	0.024	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	126.4	175.4	-169.8	0	0	0	0	108.2	I136 G137 F138 L228 F247 W251	I136-V261 HydrophobicContact CG2-CG1 3.79Å; G137-V261 WeakPolarHBondContact O-CA 3.34Å; F138-V261 HydrophobicContact CD2-CG1 4.47Å; F138-V261 HydrophobicContact CD2-CG2 3.62Å; F138-V261 HydrophobicContact CE2-CG2 3.74Å; L228-V261 HydrophobicContact CD2-CB 4.08Å; L228-V261 HydrophobicContact CD2-CG1 3.95Å; F247-V261 HydrophobicContact CE1-CG2 4.46Å; W251-V261 HydrophobicContact CZ3-CG2 4Å
262	C	57.2	Low	50.7	Low	4 Å²	4	53.7 Å²	53.7	3%	0.027	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	142.4	174.5	59.9	0	0	0	0	111.7	I136 G137 F272	I136-C262 CarbonylContact C-O 3.56Å; G137-C262 WeakPolarHBondContact CA-O 3.49Å; G137-C262 PolarHBondContact N-O 3.34Å; G137-C262 PolarHBondContact O-N 3.23Å; C262-F272 WeakPolarHBondContact CA-O 3.34Å; C262-F272 WeakPolarHBondContact CB-O 3.25Å
263	L	53.8	Low	50.3	Low	21 Å²	21	48.1 Å²	48.1	11%	0.11	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	134.1	163.7	-64.1	175.1	0	0	0	108	I136 L228 A231 V270 F271 F272	I136-L263 HydrophobicContact CB-CD2 4.03Å; I136-L263 HydrophobicContact CD1-CD2 3.97Å; I136-L263 HydrophobicContact CG1-CD2 3.51Å; I136-L263 HydrophobicContact CG2-CD2 3.96Å; L228-L263 HydrophobicContact CD1-CD1 3.52Å; L228-L263 HydrophobicContact CD1-CD2 3.81Å; L228-L263 HydrophobicContact CD1-CG 3.39Å; A231-L263 HydrophobicContact CB-CD1 3.58Å; L263-V270 CarbonylContact C-O 3.42Å; L263-V270 HydrophobicContact CB-CG1 4.4Å; L263-V270 WeakPolarHBondContact CB-O 2.93Å; L263-V270 HydrophobicContact CD1-CG1 3.99Å; L263-F271 WeakPolarHBondContact O-CA 3.37Å; L263-F271 WeakPolarHBondContact O-CD1 2.97Å; L263-F272 HydrophobicContact CB-CD2 4.48Å; L263-F272 HydrophobicContact CD1-CD2 3.92Å; L263-F272 HydrophobicContact CD1-CE2 4.03Å; L263-F272 HydrophobicContact CG-CD2 4.34Å
264	L	56.5	Low	49.4	Very low	2 Å²	2	46.2 Å²	46.2	1%	0.01	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	121.4	178.5	-67.1	171.2	0	0	0	107.3	T134 F135 L147 L150 A151 M154 F271	T134-L264 CarbonylContact C-O 3.56Å; T134-L264 WeakPolarHBondContact CA-O 3.28Å; F135-L264 HydrophobicContact CD1-CB 4.28Å; F135-L264 HydrophobicContact CD2-CB 4.19Å; F135-L264 HydrophobicContact CD2-CD1 4.14Å; F135-L264 HydrophobicContact CE1-CB 3.94Å; F135-L264 HydrophobicContact CE1-CD1 4.4Å; F135-L264 HydrophobicContact CE2-CB 3.91Å; F135-L264 HydrophobicContact CE2-CD1 3.24Å; F135-L264 HydrophobicContact CE2-CG 4.1Å; F135-L264 HydrophobicContact CG-CB 4.4Å; F135-L264 HydrophobicContact CZ-CB 3.76Å; F135-L264 HydrophobicContact CZ-CD1 3.39Å; F135-L264 HydrophobicContact CZ-CG 4.17Å; F135-L264 PolarHBondContact N-O 3.2Å; F135-L264 PolarHBondContact O-N 2.93Å; L147-L264 HydrophobicContact CD2-CD1 4.25Å; L150-L264 HydrophobicContact CD2-CD1 4.02Å; L150-L264 HydrophobicContact CG-CD1 4.46Å; A151-L264 VanDerWaalsContact CA-CD2 3.44Å; A151-L264 HydrophobicContact CB-CD2 3.6Å; M154-L264 HydrophobicContact SD-CD2 4.21Å; L264-F271 HydrophobicContact CD2-CD1 3.63Å; L264-F271 HydrophobicContact CD2-CE1 3.43Å; L264-F271 VanDerWaalsContact CD2-CE1 3.43Å
265	S	54.8	Low	48.6	Very low	9 Å²	9	48.4 Å²	48.4	6%	0.063	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	134.4	177.9	174	0	0	0	0	109.8	T134 D267 E268	T134-S265 VanDerWaalsContact CG2-OG 3.3Å; T134-S265 WeakPolarHBondContact CG2-OG 3.46Å; S265-D267 PolarHBondContact O-N 3.15Å; S265-D267 PolarHBondContact OG-N 3.1Å; S265-E268 PolarHBondContact OG-N 3.16Å; S265-E268 VanDerWaalsContact OG-N 3.12Å
266	S	53.7	Low	48	Very low	48 Å²	48	52 Å²	52	34%	0.336	27%	0.27	S	S	.	.	S	Bend	trans	-72.3	-18.8	174.7	68.9	0	0	0	0	113.1	K133 L158	K133-S266 WeakPolarHBondContact O-CB 3.32Å; K133-S266 PolarHBondContact O-N 3.21Å; K133-S266 PolarHBondContact O-OG 3.41Å; K133-S266 VanDerWaalsContact O-OG 3.1Å; L158-S266 WeakPolarHBondContact CD2-O 3.39Å
267	D	50	Low	47.1	Very low	114 Å²	114	52.6 Å²	52.6	61%	0.61	27%	0.266	S	S	*	.	S	Bend	trans	-120.1	-16.5	-166.6	-61.9	-13.2	0	0	0	112.8	S265	S265-D267 PolarHBondContact O-N 3.15Å; S265-D267 PolarHBondContact OG-N 3.1Å
268	E	47.6	Very low	46.6	Very low	127 Å²	127	56.6 Å²	56.6	59%	0.593	28%	0.279	S	S	*	.	S	Bend	trans	-134.3	146	-176	-62.9	-167.6	158.9	0	0	113.6	S265 V270	S265-E268 PolarHBondContact OG-N 3.16Å; S265-E268 VanDerWaalsContact OG-N 3.12Å; E268-V270 HydrophobicContact CB-CG2 4.14Å; E268-V270 PolarHBondContact O-N 3.01Å
269	E	43.3	Very low	46.5	Very low	105 Å²	105	55.3 Å²	55.3	49%	0.491	27%	0.266	S	S	.	.			trans	-73.3	58	173.2	-69.8	-176.9	158.9	0	0	112
270	V	41.7	Very low	46.4	Very low	45 Å²	45	57.9 Å²	57.9	27%	0.273	28%	0.279	S	S	.	.			trans	-116.2	94	177.5	-172.6	0	0	0	0	109.6	L263 E268 F272	L263-V270 CarbonylContact C-O 3.42Å; L263-V270 HydrophobicContact CB-CG1 4.4Å; L263-V270 WeakPolarHBondContact CB-O 2.93Å; L263-V270 HydrophobicContact CD1-CG1 3.99Å; E268-V270 HydrophobicContact CB-CG2 4.14Å; E268-V270 PolarHBondContact O-N 3.01Å; V270-F272 HydrophobicContact CG1-CD2 4.14Å; V270-F272 HydrophobicContact CG1-CE2 3.34Å; V270-F272 HydrophobicContact CG1-CZ 4.02Å
271	F	45.5	Very low	45.9	Very low	13 Å²	13	58.1 Å²	58.1	6%	0.057	28%	0.283	C	S	.	.			trans	-133.3	136.2	179.8	-61.1	-94.9	0	0	0	109.9	A151 M154 Q155 L158 L263 L264	A151-F271 HydrophobicContact CB-CD1 3.7Å; A151-F271 HydrophobicContact CB-CE1 4.28Å; A151-F271 WeakPolarHBondContact O-CD1 3.33Å; A151-F271 WeakPolarHBondContact O-CE1 3.48Å; M154-F271 HydrophobicContact CB-CE1 3.81Å; M154-F271 HydrophobicContact CB-CZ 3.61Å; Q155-F271 HydrophobicContact CB-CD2 4.46Å; Q155-F271 HydrophobicContact CB-CE2 4.36Å; Q155-F271 HydrophobicContact CG-CB 4.14Å; Q155-F271 HydrophobicContact CG-CD1 4.12Å; Q155-F271 HydrophobicContact CG-CD2 3.13Å; Q155-F271 HydrophobicContact CG-CE1 4.31Å; Q155-F271 HydrophobicContact CG-CE2 3.38Å; Q155-F271 HydrophobicContact CG-CG 3.54Å; Q155-F271 HydrophobicContact CG-CZ 3.99Å; Q155-F271 VanDerWaalsContact NE2-CG 3.28Å; L158-F271 HydrophobicContact CD1-CE2 4.12Å; L158-F271 HydrophobicContact CD1-CZ 4.25Å; L263-F271 WeakPolarHBondContact O-CA 3.37Å; L263-F271 WeakPolarHBondContact O-CD1 2.97Å; L264-F271 HydrophobicContact CD2-CD1 3.63Å; L264-F271 HydrophobicContact CD2-CE1 3.43Å; L264-F271 VanDerWaalsContact CD2-CE1 3.43Å
272	F	44.3	Very low	45.4	Very low	27 Å²	27	61.3 Å²	61.3	12%	0.118	30%	0.298	C	S	.	.			trans	-136.4	132.7	178.7	-59.6	-73.3	0	0	0	108.8	R224 K227 L228 C262 L263 V270	R224-F272 HydrophobicContact CB-CD1 3.89Å; R224-F272 HydrophobicContact CB-CE1 4.33Å; R224-F272 HydrophobicContact CG-CD1 4.15Å; R224-F272 HydrophobicContact CG-CE1 4.33Å; K227-F272 HydrophobicContact CB-CE1 3.82Å; K227-F272 HydrophobicContact CB-CE2 4.34Å; K227-F272 HydrophobicContact CB-CZ 3.6Å; K227-F272 HydrophobicContact CD-CE1 4.11Å; K227-F272 HydrophobicContact CD-CZ 4.15Å; L228-F272 HydrophobicContact CB-CD2 4.24Å; L228-F272 HydrophobicContact CB-CG 4.43Å; L228-F272 HydrophobicContact CD1-CD2 4.45Å; C262-F272 WeakPolarHBondContact CA-O 3.34Å; C262-F272 WeakPolarHBondContact CB-O 3.25Å; L263-F272 HydrophobicContact CB-CD2 4.48Å; L263-F272 HydrophobicContact CD1-CD2 3.92Å; L263-F272 HydrophobicContact CD1-CE2 4.03Å; L263-F272 HydrophobicContact CG-CD2 4.34Å; V270-F272 HydrophobicContact CG1-CD2 4.14Å; V270-F272 HydrophobicContact CG1-CE2 3.34Å; V270-F272 HydrophobicContact CG1-CZ 4.02Å
273	D	45.6	Very low	44.6	Very low	8 Å²	8	64.9 Å²	64.9	4%	0.043	32%	0.315	C	S	.	.			trans	-110.7	105.1	167.3	171.6	26.1	0	0	0	105.3	F215 R260 R275	F215-D273 HydrophobicContact CE1-CB 3.61Å; F215-D273 HydrophobicContact CZ-CB 4.05Å; R260-D273 WeakPolarHBondContact CD-OD1 3.39Å; R260-D273 IonicContact CZ-OD1 2.75Å; R260-D273 IonicContact NH1-OD1 3.14Å; R260-D273 PolarHBondContact NH1-OD1 3.32Å; R260-D273 IonicContact NH1-OD2 2.83Å; R260-D273 PolarHBondContact NH1-OD2 2.97Å; D273-R275 PolarHBondContact O-N 3.4Å; D273-R275 IonicContact OD2-CZ 2.87Å; D273-R275 IonicContact OD2-NE 3.36Å; D273-R275 PolarHBondContact OD2-NE 3.17Å; D273-R275 IonicContact OD2-NH2 2.85Å; D273-R275 PolarHBondContact OD2-NH2 3.14Å
274	A	37.9	Very low	44	Very low	16 Å²	16	67.8 Å²	67.8	13%	0.132	33%	0.329	C	S	.	.			trans	-80.8	104.1	172.3	0	0	0	0	0	108.4	V225	V225-A274 HydrophobicContact CG2-CB 4.27Å
275	R	38.6	Very low	43.1	Very low	67 Å²	67	72.5 Å²	72.5	25%	0.253	35%	0.351	S	S	.	.			trans	-105.6	110.5	164.9	-91.1	-173.1	-96.6	148	12.2	109.2	F216 S219 R260 D273	F216-R275 VanDerWaalsContact O-CZ 3.25Å; F216-R275 PolarHBondContact O-NH1 3.36Å; F216-R275 PolarHBondContact O-NH2 3.31Å; S219-R275 PolarHBondContact OG-NH2 3.34Å; R260-R275 VanDerWaalsContact NH1-CD 3.34Å; D273-R275 PolarHBondContact O-N 3.4Å; D273-R275 IonicContact OD2-CZ 2.87Å; D273-R275 IonicContact OD2-NE 3.36Å; D273-R275 PolarHBondContact OD2-NE 3.17Å; D273-R275 IonicContact OD2-NH2 2.85Å; D273-R275 PolarHBondContact OD2-NH2 3.14Å
276	Q	35	Very low	42.2	Very low	150 Å²	150	77.4 Å²	77.4	70%	0.701	37%	0.373	S	S	*	.	S	Bend	trans	126.5	143.7	161.8	-74.1	174	-23.2	0	0	113.7	S220	S220-Q276 PolarHBondContact OG-OE1 3.32Å
277	K	32.2	Very low	41.3	Very low	146 Å²	146	79.8 Å²	79.8	64%	0.635	38%	0.377	S	S	*	.			trans	-45	137.4	168.4	-68.1	177.1	172.7	-177.6	0	110.3	D256	D256-K277 WeakPolarHBondContact OD1-CE 3.43Å; D256-K277 IonicContact OD1-NZ 2.95Å; D256-K277 PolarHBondContact OD1-NZ 3.36Å
278	F	33.6	Very low	40.5	Very low	140 Å²	140	76.7 Å²	76.7	61%	0.614	36%	0.355	S	S	*	.			trans	-57.4	0	166.1	-77.1	-83.6	0	0	0	111.3	V225 L229 Q248	V225-F278 HydrophobicContact CG1-CE1 3.52Å; V225-F278 HydrophobicContact CG1-CZ 3.52Å; L229-F278 HydrophobicContact CD1-CE1 4.31Å; L229-F278 HydrophobicContact CD1-CZ 4.33Å; Q248-F278 HydrophobicContact CB-CD2 4.41Å; Q248-F278 HydrophobicContact CG-CB 4.47Å; Q248-F278 HydrophobicContact CG-CD2 4.5Å

Retrieved 278 of 278 residues in 223.8 ms (Link to these results)

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