A0A087YCR6_POEFO Loading...

MIT, microtubule interacting and transport, domain containing 1

AlphaFold DB , UniProt , Accession A0A087YCR6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 247 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	52.7	Low	73.8	Confident	188 Å²	188	92 Å²	92	93%	0.926	52%	0.515	S	S	*	.				0	125.6	0	-64.8	-179.9	-166.5	0	0	107.6	A49	M1-A49 HydrophobicContact SD-CB 4.29Å
2	T	59.1	Low	75.2	Confident	101 Å²	101	89.7 Å²	89.7	62%	0.62	51%	0.51	S	S	*	.			trans	-78.8	152.5	179.8	49.3	0	0	0	0	110.3	N4 H5	T2-N4 PolarHBondContact O-N 2.88Å; T2-N4 VanDerWaalsContact O-N 3.17Å; T2-H5 VanDerWaalsContact O-CB 3.28Å; T2-H5 WeakPolarHBondContact O-CB 3.43Å; T2-H5 PolarHBondContact O-N 3.38Å
3	E	61.8	Low	76.6	Confident	179 Å²	179	82.8 Å²	82.8	84%	0.836	47%	0.47	S	S	*	.	H	α-helix	trans	-55.7	-33.2	180	-71.6	-179.2	155.2	0	0	113	H5 V6 S7	E3-H5 VanDerWaalsContact C-N 3.26Å; E3-H5 PolarHBondContact O-N 2.92Å; E3-V6 PolarHBondContact O-N 3.09Å; E3-S7 PolarHBondContact O-N 2.89Å
4	N	66.4	Low	77.8	Confident	139 Å²	139	81.1 Å²	81.1	74%	0.743	46%	0.463	S	S	*	.	H	α-helix	trans	-61.3	-30.7	174.3	-72.8	-9.6	0	0	0	113.5	T2 G8	T2-N4 PolarHBondContact O-N 2.88Å; T2-N4 VanDerWaalsContact O-N 3.17Å; N4-G8 PolarHBondContact O-N 3.05Å
5	H	71.5	Confident	78.8	Confident	99 Å²	99	80.9 Å²	80.9	46%	0.458	47%	0.468	S	S	.	.	H	α-helix	trans	-71.4	-38.7	178	-172.8	-81.1	0	0	0	111.6	T2 E3 G8 M9	T2-H5 VanDerWaalsContact O-CB 3.28Å; T2-H5 WeakPolarHBondContact O-CB 3.43Å; T2-H5 PolarHBondContact O-N 3.38Å; E3-H5 VanDerWaalsContact C-N 3.26Å; E3-H5 PolarHBondContact O-N 2.92Å; H5-G8 PolarHBondContact O-N 3.33Å; H5-M9 PolarHBondContact CE1-SD 3.25Å; H5-M9 PolarHBondContact ND1-SD 2.68Å; H5-M9 VanDerWaalsContact ND1-SD 3.36Å; H5-M9 WeakPolarHBondContact O-CG 3.26Å; H5-M9 PolarHBondContact O-N 3.25Å; H5-M9 VanDerWaalsContact O-N 3.16Å
6	V	75.9	Confident	79.8	Confident	20 Å²	20	77.9 Å²	77.9	12%	0.121	45%	0.452	C	S	.	.	H	α-helix	trans	-68.6	-41.1	178.5	-177.4	0	0	0	0	110.6	E3 G8 M9 E10 V46 A49 L50	E3-V6 PolarHBondContact O-N 3.09Å; V6-G8 PolarHBondContact O-N 2.78Å; V6-M9 PolarHBondContact O-N 2.92Å; V6-E10 WeakPolarHBondContact O-CB 3.12Å; V6-E10 PolarHBondContact O-N 3.44Å; V6-V46 HydrophobicContact CG1-CG1 4.21Å; V6-A49 HydrophobicContact CG2-CB 3.88Å; V6-L50 HydrophobicContact CG1-CD2 4.11Å; V6-L50 HydrophobicContact CG1-CG 4.49Å
7	S	78.1	Confident	80.7	Confident	76 Å²	76	73.6 Å²	73.6	53%	0.531	43%	0.427	S	S	.	.	H	α-helix	trans	-61	-41.6	175.6	-177.7	0	0	0	0	112.7	E3 E10 A11	E3-S7 PolarHBondContact O-N 2.89Å; S7-E10 PolarHBondContact O-N 2.92Å; S7-A11 PolarHBondContact O-N 2.87Å
8	G	84.4	Confident	81.5	Confident	38 Å²	38	76.9 Å²	76.9	39%	0.392	44%	0.435	S	S	.	.	H	α-helix	trans	-63.3	-44.3	175.1	0	0	0	0	0	113.1	N4 H5 V6 E10 A11 S12	N4-G8 PolarHBondContact O-N 3.05Å; H5-G8 PolarHBondContact O-N 3.33Å; V6-G8 PolarHBondContact O-N 2.78Å; G8-E10 VanDerWaalsContact C-N 3.32Å; G8-E10 PolarHBondContact O-N 2.84Å; G8-A11 PolarHBondContact O-N 3.16Å; G8-S12 PolarHBondContact O-N 2.86Å; G8-S12 VanDerWaalsContact O-N 3.1Å; G8-S12 PolarHBondContact O-OG 2.84Å
9	M	83.6	Confident	82.1	Confident	39 Å²	39	78.4 Å²	78.4	19%	0.192	43%	0.433	C	S	.	.	H	α-helix	trans	-62.9	-39.1	176.6	-68.6	173.6	69.8	0	0	112.3	H5 V6 S12 A13 D45 V46	H5-M9 PolarHBondContact CE1-SD 3.25Å; H5-M9 PolarHBondContact ND1-SD 2.68Å; H5-M9 VanDerWaalsContact ND1-SD 3.36Å; H5-M9 WeakPolarHBondContact O-CG 3.26Å; H5-M9 PolarHBondContact O-N 3.25Å; H5-M9 VanDerWaalsContact O-N 3.16Å; V6-M9 PolarHBondContact O-N 2.92Å; M9-S12 PolarHBondContact O-N 3.39Å; M9-A13 WeakPolarHBondContact O-CB 3.23Å; M9-A13 PolarHBondContact O-N 2.9Å; M9-D45 HydrophobicContact CE-CB 3.58Å; M9-V46 HydrophobicContact CB-CG2 3.63Å; M9-V46 HydrophobicContact CE-CG2 4.48Å
10	E	87.5	Confident	82.8	Confident	70 Å²	70	74.5 Å²	74.5	33%	0.327	41%	0.411	S	S	.	.	H	α-helix	trans	-62.1	-46.7	176	-174.3	179.9	149.1	0	0	111.5	V6 S7 G8 S12 A13 V14 V46 Y59	V6-E10 WeakPolarHBondContact O-CB 3.12Å; V6-E10 PolarHBondContact O-N 3.44Å; S7-E10 PolarHBondContact O-N 2.92Å; G8-E10 VanDerWaalsContact C-N 3.32Å; G8-E10 PolarHBondContact O-N 2.84Å; E10-S12 VanDerWaalsContact C-N 3.34Å; E10-S12 PolarHBondContact O-N 3.13Å; E10-A13 PolarHBondContact O-N 3.44Å; E10-V14 WeakPolarHBondContact O-CG2 3.46Å; E10-V14 PolarHBondContact O-N 3.48Å; E10-V46 HydrophobicContact CB-CG2 4.48Å; E10-Y59 WeakPolarHBondContact CG-OH 3.4Å; E10-Y59 PolarHBondContact OE1-OH 3.04Å; E10-Y59 PolarHBondContact OE2-OH 3.48Å; E10-Y59 VanDerWaalsContact OE2-OH 3.1Å
11	A	90.8	Very high	83.4	Confident	63 Å²	63	73 Å²	73	52%	0.521	40%	0.404	S	S	.	.	H	α-helix	trans	-60.5	-42.3	177.4	0	0	0	0	0	112.3	S7 G8 V14 S15	S7-A11 PolarHBondContact O-N 2.87Å; G8-A11 PolarHBondContact O-N 3.16Å; A11-V14 PolarHBondContact O-N 2.89Å; A11-S15 WeakPolarHBondContact O-CB 3.48Å; A11-S15 PolarHBondContact O-N 2.83Å
12	S	91.2	Very high	85.3	Confident	64 Å²	64	70.3 Å²	70.3	45%	0.448	39%	0.39	S	S	.	.	H	α-helix	trans	-62.6	-46.1	174.5	-64	0	0	0	0	112	G8 M9 E10 V14 S15 V16	G8-S12 PolarHBondContact O-N 2.86Å; G8-S12 VanDerWaalsContact O-N 3.1Å; G8-S12 PolarHBondContact O-OG 2.84Å; M9-S12 PolarHBondContact O-N 3.39Å; E10-S12 VanDerWaalsContact C-N 3.34Å; E10-S12 PolarHBondContact O-N 3.13Å; S12-V14 VanDerWaalsContact C-N 3.34Å; S12-V14 PolarHBondContact O-N 3.23Å; S12-S15 PolarHBondContact O-N 2.65Å; S12-V16 WeakPolarHBondContact O-CG2 3.3Å; S12-V16 PolarHBondContact O-N 3.38Å
13	A	92.8	Very high	86.9	Confident	0 Å²	0	66 Å²	66	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-59.8	-44.9	178.8	0	0	0	0	0	111.7	M9 E10 S15 V16 L17 L42 L43	M9-A13 WeakPolarHBondContact O-CB 3.23Å; M9-A13 PolarHBondContact O-N 2.9Å; E10-A13 PolarHBondContact O-N 3.44Å; A13-S15 PolarHBondContact O-N 3.17Å; A13-V16 PolarHBondContact O-N 3.23Å; A13-L17 WeakPolarHBondContact O-CB 3.46Å; A13-L17 WeakPolarHBondContact O-CD1 3.45Å; A13-L17 VanDerWaalsContact O-CG 3.3Å; A13-L17 WeakPolarHBondContact O-CG 3.42Å; A13-L17 PolarHBondContact O-N 2.88Å; A13-L42 HydrophobicContact CB-CB 3.68Å; A13-L43 HydrophobicContact CB-CD2 3.68Å; A13-L43 HydrophobicContact CB-CG 3.94Å
14	V	92.9	Very high	88.4	Confident	60 Å²	60	58.2 Å²	58.2	36%	0.364	33%	0.326	S	S	.	.	H	α-helix	trans	-62.5	-43.3	177.3	170.9	0	0	0	0	111.4	E10 A11 S12 L17 K18	E10-V14 WeakPolarHBondContact O-CG2 3.46Å; E10-V14 PolarHBondContact O-N 3.48Å; A11-V14 PolarHBondContact O-N 2.89Å; S12-V14 VanDerWaalsContact C-N 3.34Å; S12-V14 PolarHBondContact O-N 3.23Å; V14-L17 PolarHBondContact O-N 3.48Å; V14-K18 HydrophobicContact CG1-CD 4.15Å; V14-K18 HydrophobicContact CG1-CG 4.45Å; V14-K18 WeakPolarHBondContact O-CB 3.46Å; V14-K18 VanDerWaalsContact O-CG 3.3Å; V14-K18 WeakPolarHBondContact O-CG 3.49Å; V14-K18 PolarHBondContact O-N 2.8Å
15	S	94	Very high	89.6	Confident	78 Å²	78	59 Å²	59	55%	0.545	33%	0.326	S	S	.	.	H	α-helix	trans	-60	-48.8	177.8	-173.8	0	0	0	0	111.8	A11 S12 A13 L17 K18 R19	A11-S15 WeakPolarHBondContact O-CB 3.48Å; A11-S15 PolarHBondContact O-N 2.83Å; S12-S15 PolarHBondContact O-N 2.65Å; A13-S15 PolarHBondContact O-N 3.17Å; S15-L17 PolarHBondContact O-N 2.98Å; S15-K18 PolarHBondContact O-N 3.13Å; S15-R19 PolarHBondContact O-N 3.1Å; S15-R19 VanDerWaalsContact O-N 3.14Å
16	V	94.2	Very high	90.4	Very high	33 Å²	33	58 Å²	58	20%	0.2	33%	0.33	C	S	.	.	H	α-helix	trans	-64.6	-42.3	-179.8	175.4	0	0	0	0	111.5	S12 A13 R19 A20 C35 E38 L42	S12-V16 WeakPolarHBondContact O-CG2 3.3Å; S12-V16 PolarHBondContact O-N 3.38Å; A13-V16 PolarHBondContact O-N 3.23Å; V16-R19 PolarHBondContact O-N 2.9Å; V16-A20 PolarHBondContact O-N 2.82Å; V16-C35 HydrophobicContact CG1-CB 4.33Å; V16-C35 VanDerWaalsContact CG1-O 3.25Å; V16-C35 WeakPolarHBondContact CG1-O 3.26Å; V16-E38 HydrophobicContact CG1-CB 4.14Å; V16-L42 HydrophobicContact CG2-CD1 4.2Å
17	L	95.3	Very high	90.9	Very high	5 Å²	5	59.2 Å²	59.2	3%	0.026	35%	0.346	C	S	.	.	H	α-helix	trans	-70.2	-32.7	179.3	-72.6	165.8	0	0	0	113.2	A13 V14 S15 A20 V21 Y36 L43 Y66	A13-L17 WeakPolarHBondContact O-CB 3.46Å; A13-L17 WeakPolarHBondContact O-CD1 3.45Å; A13-L17 VanDerWaalsContact O-CG 3.3Å; A13-L17 WeakPolarHBondContact O-CG 3.42Å; A13-L17 PolarHBondContact O-N 2.88Å; V14-L17 PolarHBondContact O-N 3.48Å; S15-L17 PolarHBondContact O-N 2.98Å; L17-A20 WeakPolarHBondContact O-CB 3.33Å; L17-A20 PolarHBondContact O-N 3.46Å; L17-V21 WeakPolarHBondContact O-CG2 2.94Å; L17-V21 PolarHBondContact O-N 2.77Å; L17-V21 VanDerWaalsContact O-N 3.13Å; L17-Y36 HydrophobicContact CD2-CD1 3.98Å; L17-L43 HydrophobicContact CD1-CD1 3.32Å; L17-L43 HydrophobicContact CD1-CG 3.75Å; L17-Y66 HydrophobicContact CD1-CD2 3.92Å; L17-Y66 HydrophobicContact CD1-CE2 3.71Å; L17-Y66 HydrophobicContact CD2-CD1 4.17Å; L17-Y66 HydrophobicContact CD2-CD2 4.01Å; L17-Y66 HydrophobicContact CD2-CE1 4.43Å; L17-Y66 HydrophobicContact CD2-CE2 4.3Å; L17-Y66 HydrophobicContact CD2-CG 3.96Å; L17-Y66 HydrophobicContact CG-CE2 4.43Å
18	K	95.5	Very high	91.4	Very high	132 Å²	132	57.7 Å²	57.7	57%	0.574	33%	0.328	S	S	*	.	H	α-helix	trans	-62.4	-47.3	171.2	-77.7	178.6	-177.7	-178.8	0	110.9	V14 S15 A20 V21 E22	V14-K18 HydrophobicContact CG1-CD 4.15Å; V14-K18 HydrophobicContact CG1-CG 4.45Å; V14-K18 WeakPolarHBondContact O-CB 3.46Å; V14-K18 VanDerWaalsContact O-CG 3.3Å; V14-K18 WeakPolarHBondContact O-CG 3.49Å; V14-K18 PolarHBondContact O-N 2.8Å; S15-K18 PolarHBondContact O-N 3.13Å; K18-A20 VanDerWaalsContact C-N 3.29Å; K18-A20 PolarHBondContact O-N 2.84Å; K18-V21 PolarHBondContact O-N 3.04Å; K18-E22 WeakPolarHBondContact O-CG 3.46Å; K18-E22 PolarHBondContact O-N 3.16Å
19	R	93.1	Very high	91.6	Very high	105 Å²	105	57 Å²	57	40%	0.396	32%	0.316	S	S	.	.	H	α-helix	trans	-58.3	-41.5	174	179.9	175.8	174.8	157.8	-0.7	111.7	S15 V16 V21 E22 L23 E31	S15-R19 PolarHBondContact O-N 3.1Å; S15-R19 VanDerWaalsContact O-N 3.14Å; V16-R19 PolarHBondContact O-N 2.9Å; R19-V21 VanDerWaalsContact C-N 3.31Å; R19-V21 PolarHBondContact O-N 3.02Å; R19-E22 PolarHBondContact O-N 2.59Å; R19-L23 HydrophobicContact CG-CD1 3.83Å; R19-L23 HydrophobicContact CG-CG 4.25Å; R19-L23 WeakPolarHBondContact O-CB 3.11Å; R19-L23 VanDerWaalsContact O-CG 3.3Å; R19-L23 WeakPolarHBondContact O-CG 3.2Å; R19-L23 PolarHBondContact O-N 2.61Å; R19-E31 IonicContact CZ-OE1 2.85Å; R19-E31 IonicContact NE-OE1 2.82Å; R19-E31 IonicContact NH2-OE1 2.78Å; R19-E31 PolarHBondContact NH2-OE1 2.88Å
20	A	95.1	Very high	91.9	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-56.6	-45.2	176.6	0	0	0	0	0	112	V16 L17 K18 L23 D24 S32 C35 Y36	V16-A20 PolarHBondContact O-N 2.82Å; L17-A20 WeakPolarHBondContact O-CB 3.33Å; L17-A20 PolarHBondContact O-N 3.46Å; K18-A20 VanDerWaalsContact C-N 3.29Å; K18-A20 PolarHBondContact O-N 2.84Å; A20-L23 PolarHBondContact O-N 3.32Å; A20-D24 WeakPolarHBondContact O-CB 3.4Å; A20-D24 PolarHBondContact O-N 2.8Å; A20-S32 WeakPolarHBondContact O-CB 3.44Å; A20-C35 HydrophobicContact CB-CB 3.54Å; A20-Y36 HydrophobicContact CB-CD1 3.61Å; A20-Y36 HydrophobicContact CB-CD2 3.97Å; A20-Y36 HydrophobicContact CB-CE1 3.67Å; A20-Y36 HydrophobicContact CB-CE2 4.04Å; A20-Y36 HydrophobicContact CB-CG 3.75Å
21	V	95.1	Very high	92.1	Very high	45 Å²	45	53.1 Å²	53.1	27%	0.273	30%	0.297	S	S	.	.	H	α-helix	trans	-66.2	-40	178.2	173.5	0	0	0	0	112.1	L17 K18 R19 D24 H25 Y36 Y66	L17-V21 WeakPolarHBondContact O-CG2 2.94Å; L17-V21 PolarHBondContact O-N 2.77Å; L17-V21 VanDerWaalsContact O-N 3.13Å; K18-V21 PolarHBondContact O-N 3.04Å; R19-V21 VanDerWaalsContact C-N 3.31Å; R19-V21 PolarHBondContact O-N 3.02Å; V21-D24 PolarHBondContact O-N 2.69Å; V21-H25 WeakPolarHBondContact CG1-CE1 3.12Å; V21-H25 PolarHBondContact O-N 3.41Å; V21-H25 PolarHBondContact O-ND1 3.22Å; V21-H25 VanDerWaalsContact O-ND1 3.13Å; V21-Y36 HydrophobicContact CG2-CE1 4.2Å; V21-Y36 WeakPolarHBondContact CG2-OH 3.42Å; V21-Y66 HydrophobicContact CG2-CE1 4.47Å
22	E	94.2	Very high	92.2	Very high	131 Å²	131	50.1 Å²	50.1	61%	0.612	27%	0.272	S	S	*	.	H	α-helix	trans	-64.8	-41.6	176.8	-69.9	167.8	-174	0	0	112.1	K18 R19 H25 S26	K18-E22 WeakPolarHBondContact O-CG 3.46Å; K18-E22 PolarHBondContact O-N 3.16Å; R19-E22 PolarHBondContact O-N 2.59Å; E22-H25 PolarHBondContact O-N 2.86Å; E22-S26 PolarHBondContact O-N 3.08Å; E22-S26 VanDerWaalsContact O-N 3.08Å; E22-S26 PolarHBondContact O-OG 2.75Å
23	L	91.9	Very high	92.3	Very high	11 Å²	11	47.6 Å²	47.6	6%	0.058	25%	0.254	C	S	.	.	H	α-helix	trans	-66.2	-41.7	176.1	-70.1	168.8	0	0	0	111.8	R19 A20 S26 G27 R28 E31 C35	R19-L23 HydrophobicContact CG-CD1 3.83Å; R19-L23 HydrophobicContact CG-CG 4.25Å; R19-L23 WeakPolarHBondContact O-CB 3.11Å; R19-L23 VanDerWaalsContact O-CG 3.3Å; R19-L23 WeakPolarHBondContact O-CG 3.2Å; R19-L23 PolarHBondContact O-N 2.61Å; A20-L23 PolarHBondContact O-N 3.32Å; L23-S26 WeakPolarHBondContact CA-OG 3.49Å; L23-S26 PolarHBondContact O-N 2.83Å; L23-S26 PolarHBondContact O-OG 2.85Å; L23-G27 PolarHBondContact O-N 2.97Å; L23-G27 VanDerWaalsContact O-N 3.17Å; L23-R28 HydrophobicContact CB-CB 4.25Å; L23-R28 HydrophobicContact CD2-CB 3.92Å; L23-R28 HydrophobicContact CD2-CG 4.39Å; L23-R28 PolarHBondContact O-N 2.77Å; L23-E31 HydrophobicContact CD1-CB 4.06Å; L23-E31 HydrophobicContact CD1-CG 3.59Å; L23-E31 HydrophobicContact CD2-CG 4.43Å; L23-C35 HydrophobicContact CD1-CB 4.47Å
24	D	92.6	Very high	92.3	Very high	14 Å²	14	48.7 Å²	48.7	8%	0.075	26%	0.26	C	S	.	.	H	α-helix	trans	-59.7	-48.5	175.7	-173.5	12.5	0	0	0	111.3	A20 V21 S26 G27 Y36 R69 I73	A20-D24 WeakPolarHBondContact O-CB 3.4Å; A20-D24 PolarHBondContact O-N 2.8Å; V21-D24 PolarHBondContact O-N 2.69Å; D24-S26 VanDerWaalsContact C-N 3.26Å; D24-S26 PolarHBondContact O-N 2.79Å; D24-G27 PolarHBondContact O-N 3.08Å; D24-G27 VanDerWaalsContact O-N 3.1Å; D24-Y36 HydrophobicContact CB-CE2 4.18Å; D24-R69 VanDerWaalsContact CG-NH2 3.27Å; D24-R69 IonicContact OD1-CZ 3.85Å; D24-R69 IonicContact OD1-NE 3.47Å; D24-R69 IonicContact OD1-NH2 3.66Å; D24-R69 PolarHBondContact OD1-NH2 2.91Å; D24-R69 IonicContact OD2-CZ 3.09Å; D24-R69 VanDerWaalsContact OD2-CZ 3.27Å; D24-R69 IonicContact OD2-NE 3.94Å; D24-R69 PolarHBondContact OD2-NE 3.41Å; D24-R69 IonicContact OD2-NH2 3.79Å; D24-R69 PolarHBondContact OD2-NH2 2.68Å; D24-I73 HydrophobicContact CB-CD1 4.44Å
25	H	91.8	Very high	92.4	Very high	157 Å²	157	46.3 Å²	46.3	73%	0.727	25%	0.247	S	C	*	.	H	α-helix	trans	-64.6	-27.3	176.6	-68.1	142.6	0	0	0	114.2	V21 E22 G27	V21-H25 WeakPolarHBondContact CG1-CE1 3.12Å; V21-H25 PolarHBondContact O-N 3.41Å; V21-H25 PolarHBondContact O-ND1 3.22Å; V21-H25 VanDerWaalsContact O-ND1 3.13Å; E22-H25 PolarHBondContact O-N 2.86Å; H25-G27 VanDerWaalsContact C-N 3.32Å
26	S	87.8	Confident	92.5	Very high	77 Å²	77	43 Å²	43	54%	0.538	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	0.4	176.4	58.9	0	0	0	0	113.9	E22 L23 D24 R28	E22-S26 PolarHBondContact O-N 3.08Å; E22-S26 VanDerWaalsContact O-N 3.08Å; E22-S26 PolarHBondContact O-OG 2.75Å; L23-S26 WeakPolarHBondContact CA-OG 3.49Å; L23-S26 PolarHBondContact O-N 2.83Å; L23-S26 PolarHBondContact O-OG 2.85Å; D24-S26 VanDerWaalsContact C-N 3.26Å; D24-S26 PolarHBondContact O-N 2.79Å; S26-R28 VanDerWaalsContact C-N 3.31Å
27	G	86.3	Confident	92.5	Very high	45 Å²	45	46.2 Å²	46.2	46%	0.464	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.6	8	179	0	0	0	0	0	114.6	L23 D24 H25 L29	L23-G27 PolarHBondContact O-N 2.97Å; L23-G27 VanDerWaalsContact O-N 3.17Å; D24-G27 PolarHBondContact O-N 3.08Å; D24-G27 VanDerWaalsContact O-N 3.1Å; H25-G27 VanDerWaalsContact C-N 3.32Å; G27-L29 PolarHBondContact O-N 3.06Å
28	R	88.6	Confident	92.4	Very high	44 Å²	44	49.4 Å²	49.4	17%	0.166	25%	0.25	C	C	.	.			trans	-81.1	66.6	175.3	-67	178.3	68.4	174.7	8.1	110.2	L23 S26 Q30 E31 S32 E88	L23-R28 HydrophobicContact CB-CB 4.25Å; L23-R28 HydrophobicContact CD2-CB 3.92Å; L23-R28 HydrophobicContact CD2-CG 4.39Å; L23-R28 PolarHBondContact O-N 2.77Å; S26-R28 VanDerWaalsContact C-N 3.31Å; R28-Q30 PolarHBondContact O-N 3.15Å; R28-E31 IonicContact CZ-OE2 3.91Å; R28-E31 IonicContact NE-OE2 3.4Å; R28-E31 PolarHBondContact NE-OE2 3Å; R28-E31 IonicContact NH1-OE2 3.69Å; R28-E31 IonicContact NH2-OE1 3.76Å; R28-E31 IonicContact NH2-OE2 3.27Å; R28-E31 PolarHBondContact NH2-OE2 3.14Å; R28-E31 PolarHBondContact O-N 2.87Å; R28-S32 WeakPolarHBondContact O-CB 3.45Å; R28-S32 PolarHBondContact O-N 3.13Å; R28-E88 WeakPolarHBondContact CA-OE1 3.31Å; R28-E88 WeakPolarHBondContact CB-OE1 3.46Å; R28-E88 WeakPolarHBondContact CG-OE1 3.21Å; R28-E88 IonicContact NE-OE1 3.63Å
29	L	90.1	Very high	92.4	Very high	24 Å²	24	43.1 Å²	43.1	13%	0.126	22%	0.222	C	C	.	.	H	α-helix	trans	-66	-40.3	-164.6	-63.5	-178	0	0	0	113.7	G27 S32 L33 I73 V77 M80	G27-L29 PolarHBondContact O-N 3.06Å; L29-S32 PolarHBondContact O-OG 3.5Å; L29-L33 WeakPolarHBondContact O-CB 3.44Å; L29-L33 PolarHBondContact O-N 3.03Å; L29-I73 HydrophobicContact CB-CG2 4.04Å; L29-I73 HydrophobicContact CD2-CG2 4.4Å; L29-I73 WeakPolarHBondContact O-CG2 3.5Å; L29-V77 HydrophobicContact CB-CG2 3.68Å; L29-V77 HydrophobicContact CD1-CG2 4.28Å; L29-M80 HydrophobicContact CD1-SD 4.38Å
30	Q	90.1	Very high	92.5	Very high	21 Å²	21	38.8 Å²	38.8	10%	0.098	21%	0.207	C	C	.	.	H	α-helix	trans	-69.4	-40.5	-179.1	-179.4	65.4	24.1	0	0	111.3	R28 V34 Y86 P107 Y108 W201	R28-Q30 PolarHBondContact O-N 3.15Å; Q30-V34 WeakPolarHBondContact O-CG2 3.44Å; Q30-V34 PolarHBondContact O-N 3.01Å; Q30-Y86 WeakPolarHBondContact CB-OH 3.39Å; Q30-P107 HydrophobicContact CG-CB 4.18Å; Q30-P107 WeakPolarHBondContact CG-O 3.19Å; Q30-P107 PolarHBondContact NE2-O 3.43Å; Q30-Y108 HydrophobicContact CB-CE1 4.01Å; Q30-Y108 HydrophobicContact CG-CD1 3.89Å; Q30-Y108 HydrophobicContact CG-CE1 3.67Å; Q30-W201 HydrophobicContact CB-CH2 4.32Å; Q30-W201 HydrophobicContact CG-CH2 3.98Å; Q30-W201 HydrophobicContact CG-CZ2 3.85Å
31	E	90.1	Very high	92.5	Very high	7 Å²	7	43.2 Å²	43.2	3%	0.033	23%	0.227	C	C	.	.	H	α-helix	trans	-70.1	-40.5	175.6	-165.6	-176.5	159.6	0	0	111.9	R19 L23 R28 L33 V34 C35 P107	R19-E31 IonicContact CZ-OE1 2.85Å; R19-E31 IonicContact NE-OE1 2.82Å; R19-E31 IonicContact NH2-OE1 2.78Å; R19-E31 PolarHBondContact NH2-OE1 2.88Å; L23-E31 HydrophobicContact CD1-CB 4.06Å; L23-E31 HydrophobicContact CD1-CG 3.59Å; L23-E31 HydrophobicContact CD2-CG 4.43Å; R28-E31 IonicContact CZ-OE2 3.91Å; R28-E31 IonicContact NE-OE2 3.4Å; R28-E31 PolarHBondContact NE-OE2 3Å; R28-E31 IonicContact NH1-OE2 3.69Å; R28-E31 IonicContact NH2-OE1 3.76Å; R28-E31 IonicContact NH2-OE2 3.27Å; R28-E31 PolarHBondContact NH2-OE2 3.14Å; R28-E31 PolarHBondContact O-N 2.87Å; E31-L33 VanDerWaalsContact C-N 3.28Å; E31-L33 PolarHBondContact O-N 3.12Å; E31-V34 PolarHBondContact O-N 3.3Å; E31-C35 PolarHBondContact O-N 2.83Å; E31-P107 HydrophobicContact CB-CB 4.38Å; E31-P107 HydrophobicContact CB-CG 4.08Å; E31-P107 HydrophobicContact CG-CG 3.81Å
32	S	94	Very high	92.5	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-59.9	-41.3	176.1	80.2	0	0	0	0	111.2	A20 R28 L29 V34 C35 Y36	A20-S32 WeakPolarHBondContact O-CB 3.44Å; R28-S32 WeakPolarHBondContact O-CB 3.45Å; R28-S32 PolarHBondContact O-N 3.13Å; L29-S32 PolarHBondContact O-OG 3.5Å; S32-V34 VanDerWaalsContact C-N 3.34Å; S32-V34 PolarHBondContact O-N 3Å; S32-C35 PolarHBondContact O-N 3.49Å; S32-Y36 WeakPolarHBondContact O-CD2 3.37Å; S32-Y36 PolarHBondContact O-N 3.49Å
33	L	93.9	Very high	92.4	Very high	10 Å²	10	37.5 Å²	37.5	5%	0.052	20%	0.2	C	C	.	.	H	α-helix	trans	-58.1	-45.3	175.8	177.7	60	0	0	0	111.9	L29 E31 Y36 Q37 A70 I73 K74	L29-L33 WeakPolarHBondContact O-CB 3.44Å; L29-L33 PolarHBondContact O-N 3.03Å; E31-L33 VanDerWaalsContact C-N 3.28Å; E31-L33 PolarHBondContact O-N 3.12Å; L33-Y36 PolarHBondContact O-N 3.02Å; L33-Q37 HydrophobicContact CD1-CG 4.49Å; L33-Q37 VanDerWaalsContact O-CG 3.31Å; L33-Q37 WeakPolarHBondContact O-CG 3.34Å; L33-Q37 PolarHBondContact O-N 3.23Å; L33-A70 HydrophobicContact CD1-CB 4.04Å; L33-A70 VanDerWaalsContact CD1-O 3.29Å; L33-A70 WeakPolarHBondContact CD1-O 3.08Å; L33-I73 HydrophobicContact CB-CG2 4.05Å; L33-K74 HydrophobicContact CD1-CB 4.04Å; L33-K74 HydrophobicContact CD2-CB 3.9Å; L33-K74 HydrophobicContact CD2-CG 4.18Å
34	V	92.6	Very high	92.4	Very high	23 Å²	23	39.3 Å²	39.3	14%	0.139	21%	0.209	C	C	.	.	H	α-helix	trans	-65.2	-45.4	178.6	173.4	0	0	0	0	110.3	Q30 E31 S32 Y36 Q37 E38 P107	Q30-V34 WeakPolarHBondContact O-CG2 3.44Å; Q30-V34 PolarHBondContact O-N 3.01Å; E31-V34 PolarHBondContact O-N 3.3Å; S32-V34 VanDerWaalsContact C-N 3.34Å; S32-V34 PolarHBondContact O-N 3Å; V34-Y36 VanDerWaalsContact C-N 3.32Å; V34-Y36 PolarHBondContact O-N 3.35Å; V34-Q37 PolarHBondContact O-N 3.45Å; V34-E38 WeakPolarHBondContact O-CG 3.46Å; V34-E38 PolarHBondContact O-N 2.93Å; V34-P107 HydrophobicContact CG2-CB 4.17Å
35	C	94.1	Very high	92.4	Very high	11 Å²	11	41 Å²	41	7%	0.074	22%	0.217	C	C	.	.	H	α-helix	trans	-61.9	-38.5	175.4	-69.3	0	0	0	0	112.2	V16 A20 L23 E31 S32 G39	V16-C35 HydrophobicContact CG1-CB 4.33Å; V16-C35 VanDerWaalsContact CG1-O 3.25Å; V16-C35 WeakPolarHBondContact CG1-O 3.26Å; A20-C35 HydrophobicContact CB-CB 3.54Å; L23-C35 HydrophobicContact CD1-CB 4.47Å; E31-C35 PolarHBondContact O-N 2.83Å; S32-C35 PolarHBondContact O-N 3.49Å; C35-G39 PolarHBondContact O-N 3.21Å
36	Y	96.8	Very high	92.3	Very high	7 Å²	7	33.5 Å²	33.5	3%	0.027	18%	0.183	C	C	.	.	H	α-helix	trans	-61.5	-47.5	173.2	-81.3	-57.8	0	0	0	111.4	L17 A20 V21 D24 S32 L33 V34 E38 G39 I40 Y66 R69 A70 I73	L17-Y36 HydrophobicContact CD2-CD1 3.98Å; A20-Y36 HydrophobicContact CB-CD1 3.61Å; A20-Y36 HydrophobicContact CB-CD2 3.97Å; A20-Y36 HydrophobicContact CB-CE1 3.67Å; A20-Y36 HydrophobicContact CB-CE2 4.04Å; A20-Y36 HydrophobicContact CB-CG 3.75Å; V21-Y36 HydrophobicContact CG2-CE1 4.2Å; V21-Y36 WeakPolarHBondContact CG2-OH 3.42Å; D24-Y36 HydrophobicContact CB-CE2 4.18Å; S32-Y36 WeakPolarHBondContact O-CD2 3.37Å; S32-Y36 PolarHBondContact O-N 3.49Å; L33-Y36 PolarHBondContact O-N 3.02Å; V34-Y36 VanDerWaalsContact C-N 3.32Å; V34-Y36 PolarHBondContact O-N 3.35Å; Y36-E38 PolarHBondContact O-N 3Å; Y36-G39 PolarHBondContact O-N 3.45Å; Y36-I40 VanDerWaalsContact O-CB 3.24Å; Y36-I40 WeakPolarHBondContact O-CB 3.49Å; Y36-I40 VanDerWaalsContact O-CD1 3.23Å; Y36-I40 WeakPolarHBondContact O-CD1 3.41Å; Y36-I40 WeakPolarHBondContact O-CG1 3.4Å; Y36-I40 PolarHBondContact O-N 3.18Å; Y36-Y66 HydrophobicContact CD1-CD1 4.02Å; Y36-Y66 AromaticContact CE1-CD1 3.64Å; Y36-Y66 HydrophobicContact CE1-CD1 3.64Å; Y36-Y66 HydrophobicContact CE1-CE1 4.19Å; Y36-R69 HydrophobicContact CE2-CG 4.2Å; Y36-A70 HydrophobicContact CG-CB 4.44Å; Y36-I73 HydrophobicContact CD2-CD1 3.81Å; Y36-I73 HydrophobicContact CE2-CD1 3.52Å
37	Q	94.1	Very high	92.4	Very high	101 Å²	101	31 Å²	31	47%	0.472	16%	0.163	S	C	.	.	H	α-helix	trans	-59.7	-47.4	179.7	-72.4	172.2	-9.1	0	0	112.1	L33 V34 Q41	L33-Q37 HydrophobicContact CD1-CG 4.49Å; L33-Q37 VanDerWaalsContact O-CG 3.31Å; L33-Q37 WeakPolarHBondContact O-CG 3.34Å; L33-Q37 PolarHBondContact O-N 3.23Å; V34-Q37 PolarHBondContact O-N 3.45Å; Q37-Q41 WeakPolarHBondContact O-CB 3.08Å; Q37-Q41 PolarHBondContact O-N 3.46Å
38	E	93.6	Very high	92.6	Very high	73 Å²	73	35.6 Å²	35.6	34%	0.341	17%	0.171	S	C	.	.	H	α-helix	trans	-64.3	-46.5	177.8	-69.1	-176.6	166.7	0	0	111.8	V16 V34 Y36 I40 Q41 L42 K106	V16-E38 HydrophobicContact CG1-CB 4.14Å; V34-E38 WeakPolarHBondContact O-CG 3.46Å; V34-E38 PolarHBondContact O-N 2.93Å; Y36-E38 PolarHBondContact O-N 3Å; E38-I40 PolarHBondContact O-N 2.93Å; E38-Q41 PolarHBondContact O-N 2.99Å; E38-L42 WeakPolarHBondContact O-CG 3.39Å; E38-L42 PolarHBondContact O-N 3.25Å; E38-K106 WeakPolarHBondContact OE1-CE 3.44Å; E38-K106 IonicContact OE1-NZ 3.04Å; E38-K106 PolarHBondContact OE1-NZ 2.98Å; E38-K106 IonicContact OE2-NZ 3.53Å
39	G	95.1	Very high	92.5	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-63.4	-40.4	178.9	0	0	0	0	0	113.1	C35 Y36 L42 L43	C35-G39 PolarHBondContact O-N 3.21Å; Y36-G39 PolarHBondContact O-N 3.45Å; G39-L42 PolarHBondContact O-N 3.49Å; G39-L43 PolarHBondContact O-N 2.94Å
40	I	95.6	Very high	92.5	Very high	14 Å²	14	35.1 Å²	35.1	7%	0.072	18%	0.175	C	C	.	.	H	α-helix	trans	-63.5	-45	174	-71.6	160.7	0	0	0	110.4	Y36 E38 L42 L43 I44 I63 M67 A70	Y36-I40 VanDerWaalsContact O-CB 3.24Å; Y36-I40 WeakPolarHBondContact O-CB 3.49Å; Y36-I40 VanDerWaalsContact O-CD1 3.23Å; Y36-I40 WeakPolarHBondContact O-CD1 3.41Å; Y36-I40 WeakPolarHBondContact O-CG1 3.4Å; Y36-I40 PolarHBondContact O-N 3.18Å; E38-I40 PolarHBondContact O-N 2.93Å; I40-L42 VanDerWaalsContact C-N 3.33Å; I40-L42 PolarHBondContact O-N 2.95Å; I40-L43 PolarHBondContact O-N 2.49Å; I40-I44 HydrophobicContact CG2-CD1 3.82Å; I40-I44 HydrophobicContact CG2-CG1 4.35Å; I40-I44 WeakPolarHBondContact O-CG1 3.33Å; I40-I44 PolarHBondContact O-N 3.19Å; I40-I63 HydrophobicContact CG2-CG2 4.16Å; I40-M67 HydrophobicContact CD1-CB 4.46Å; I40-M67 HydrophobicContact CD1-CG 3.84Å; I40-M67 HydrophobicContact CG1-CG 4.41Å; I40-M67 HydrophobicContact CG2-CG 3.92Å; I40-M67 HydrophobicContact CG2-SD 4.42Å; I40-A70 HydrophobicContact CD1-CB 4.32Å
41	Q	94.4	Very high	92.2	Very high	92 Å²	92	43.7 Å²	43.7	43%	0.43	21%	0.213	S	C	.	.	H	α-helix	trans	-60.2	-44.2	178.3	-176.2	55	54.9	0	0	111.2	Q37 E38 L43 I44 D45	Q37-Q41 WeakPolarHBondContact O-CB 3.08Å; Q37-Q41 PolarHBondContact O-N 3.46Å; E38-Q41 PolarHBondContact O-N 2.99Å; Q41-L43 PolarHBondContact O-N 3.26Å; Q41-I44 WeakPolarHBondContact O-CB 3.32Å; Q41-I44 PolarHBondContact O-N 3.3Å; Q41-D45 PolarHBondContact NE2-OD1 2.91Å; Q41-D45 PolarHBondContact NE2-OD2 2.87Å; Q41-D45 VanDerWaalsContact NE2-OD2 3.07Å; Q41-D45 PolarHBondContact O-N 3.2Å
42	L	94	Very high	92.1	Very high	52 Å²	52	46.9 Å²	46.9	27%	0.272	23%	0.23	S	C	.	.	H	α-helix	trans	-60.2	-44.1	174.1	-69.1	171.9	0	0	0	112.1	A13 V16 E38 G39 I40 I44 D45 V46	A13-L42 HydrophobicContact CB-CB 3.68Å; V16-L42 HydrophobicContact CG2-CD1 4.2Å; E38-L42 WeakPolarHBondContact O-CG 3.39Å; E38-L42 PolarHBondContact O-N 3.25Å; G39-L42 PolarHBondContact O-N 3.49Å; I40-L42 VanDerWaalsContact C-N 3.33Å; I40-L42 PolarHBondContact O-N 2.95Å; L42-I44 VanDerWaalsContact C-N 3.34Å; L42-I44 PolarHBondContact O-N 3.47Å; L42-D45 PolarHBondContact O-N 3.13Å; L42-V46 WeakPolarHBondContact O-CG2 3.49Å; L42-V46 PolarHBondContact O-N 2.8Å
43	L	92.9	Very high	91.7	Very high	5 Å²	5	52.8 Å²	52.8	3%	0.026	26%	0.262	C	S	.	.	H	α-helix	trans	-63.8	-37	175.8	-77.5	-173.9	0	0	0	112.9	A13 L17 G39 I40 Q41 D45 V46 L47 Y59 I63 Y66	A13-L43 HydrophobicContact CB-CD2 3.68Å; A13-L43 HydrophobicContact CB-CG 3.94Å; L17-L43 HydrophobicContact CD1-CD1 3.32Å; L17-L43 HydrophobicContact CD1-CG 3.75Å; G39-L43 PolarHBondContact O-N 2.94Å; I40-L43 PolarHBondContact O-N 2.49Å; Q41-L43 PolarHBondContact O-N 3.26Å; L43-D45 VanDerWaalsContact C-N 3.3Å; L43-D45 PolarHBondContact O-N 3.4Å; L43-V46 PolarHBondContact O-N 3.23Å; L43-L47 WeakPolarHBondContact O-CB 3.42Å; L43-L47 PolarHBondContact O-N 3.46Å; L43-Y59 HydrophobicContact CD2-CD1 3.96Å; L43-Y59 HydrophobicContact CD2-CE1 4.02Å; L43-I63 HydrophobicContact CB-CD1 3.97Å; L43-I63 HydrophobicContact CB-CG1 3.73Å; L43-I63 HydrophobicContact CD1-CG1 4.04Å; L43-Y66 HydrophobicContact CD1-CD2 4.18Å; L43-Y66 HydrophobicContact CD1-CE2 4.28Å
44	I	92.6	Very high	91.3	Very high	48 Å²	48	57.1 Å²	57.1	25%	0.246	29%	0.292	C	S	.	.	H	α-helix	trans	-61.8	-41.6	174.5	-73.4	168.5	0	0	0	110.1	I40 Q41 L42 L47 K48 I63	I40-I44 HydrophobicContact CG2-CD1 3.82Å; I40-I44 HydrophobicContact CG2-CG1 4.35Å; I40-I44 WeakPolarHBondContact O-CG1 3.33Å; I40-I44 PolarHBondContact O-N 3.19Å; Q41-I44 WeakPolarHBondContact O-CB 3.32Å; Q41-I44 PolarHBondContact O-N 3.3Å; L42-I44 VanDerWaalsContact C-N 3.34Å; L42-I44 PolarHBondContact O-N 3.47Å; I44-L47 WeakPolarHBondContact O-CB 3.49Å; I44-L47 PolarHBondContact O-N 2.93Å; I44-K48 WeakPolarHBondContact O-CG 3.42Å; I44-K48 PolarHBondContact O-N 2.65Å; I44-I63 HydrophobicContact CG1-CD1 4.02Å; I44-I63 HydrophobicContact CG1-CG2 4.36Å
45	D	91.4	Very high	91	Very high	49 Å²	49	61.6 Å²	61.6	26%	0.262	31%	0.31	S	S	.	.	H	α-helix	trans	-71.9	-35	179.7	-63.9	-33.7	0	0	0	112.1	M9 Q41 L42 L43 K48 A49	M9-D45 HydrophobicContact CE-CB 3.58Å; Q41-D45 PolarHBondContact NE2-OD1 2.91Å; Q41-D45 PolarHBondContact NE2-OD2 2.87Å; Q41-D45 VanDerWaalsContact NE2-OD2 3.07Å; Q41-D45 PolarHBondContact O-N 3.2Å; L42-D45 PolarHBondContact O-N 3.13Å; L43-D45 VanDerWaalsContact C-N 3.3Å; L43-D45 PolarHBondContact O-N 3.4Å; D45-K48 PolarHBondContact O-N 2.79Å; D45-K48 IonicContact OD1-NZ 3Å; D45-K48 PolarHBondContact OD1-NZ 2.94Å; D45-A49 PolarHBondContact O-N 3.39Å
46	V	90.4	Very high	90.8	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-59.1	-47.8	166.8	171.5	0	0	0	0	110.5	V6 M9 E10 L42 L43 K48 A49 L50 Y59	V6-V46 HydrophobicContact CG1-CG1 4.21Å; M9-V46 HydrophobicContact CB-CG2 3.63Å; M9-V46 HydrophobicContact CE-CG2 4.48Å; E10-V46 HydrophobicContact CB-CG2 4.48Å; L42-V46 WeakPolarHBondContact O-CG2 3.49Å; L42-V46 PolarHBondContact O-N 2.8Å; L43-V46 PolarHBondContact O-N 3.23Å; V46-K48 VanDerWaalsContact C-N 3.29Å; V46-K48 PolarHBondContact O-N 2.83Å; V46-A49 PolarHBondContact O-N 3.48Å; V46-L50 HydrophobicContact CG1-CD1 3.92Å; V46-L50 HydrophobicContact CG1-CG 4.22Å; V46-L50 WeakPolarHBondContact O-CG 3.47Å; V46-L50 PolarHBondContact O-N 3.21Å; V46-Y59 HydrophobicContact CG1-CE2 4.46Å
47	L	90.2	Very high	90.4	Very high	24 Å²	24	64.8 Å²	64.8	13%	0.126	33%	0.331	C	S	.	.	H	α-helix	trans	-59.5	-37.7	179.1	-178.2	70.5	0	0	0	112.2	L43 I44 A49 R56 R60 I63	L43-L47 WeakPolarHBondContact O-CB 3.42Å; L43-L47 PolarHBondContact O-N 3.46Å; I44-L47 WeakPolarHBondContact O-CB 3.49Å; I44-L47 PolarHBondContact O-N 2.93Å; L47-A49 VanDerWaalsContact C-N 3.29Å; L47-A49 PolarHBondContact O-N 2.81Å; L47-R56 HydrophobicContact CD1-CB 3.77Å; L47-R56 HydrophobicContact CD1-CG 3.89Å; L47-R56 WeakPolarHBondContact CD1-O 3.5Å; L47-R56 PolarHBondContact O-NH1 3.15Å; L47-R60 HydrophobicContact CD1-CG 4.19Å; L47-R60 HydrophobicContact CD2-CG 3.72Å; L47-I63 HydrophobicContact CB-CD1 4.42Å; L47-I63 HydrophobicContact CD2-CD1 4.1Å
48	K	89.3	Confident	90.2	Very high	143 Å²	143	64.8 Å²	64.8	62%	0.622	33%	0.33	S	S	*	.	H	α-helix	trans	-65.4	-32.3	175.4	-71.2	170.6	-168.3	158.4	0	112.5	I44 D45 V46	I44-K48 WeakPolarHBondContact O-CG 3.42Å; I44-K48 PolarHBondContact O-N 2.65Å; D45-K48 PolarHBondContact O-N 2.79Å; D45-K48 IonicContact OD1-NZ 3Å; D45-K48 PolarHBondContact OD1-NZ 2.94Å; V46-K48 VanDerWaalsContact C-N 3.29Å; V46-K48 PolarHBondContact O-N 2.83Å
49	A	88.3	Confident	90.1	Very high	31 Å²	31	62.6 Å²	62.6	26%	0.256	32%	0.319	S	S	.	.	H	α-helix	trans	-83.8	-22.4	-178.8	0	0	0	0	0	113.9	M1 V6 D45 V46 L47	M1-A49 HydrophobicContact SD-CB 4.29Å; V6-A49 HydrophobicContact CG2-CB 3.88Å; D45-A49 PolarHBondContact O-N 3.39Å; V46-A49 PolarHBondContact O-N 3.48Å; L47-A49 VanDerWaalsContact C-N 3.29Å; L47-A49 PolarHBondContact O-N 2.81Å
50	L	88	Confident	90	Very high	26 Å²	26	68.7 Å²	68.7	14%	0.136	34%	0.342	C	S	.	.			trans	-73.7	135.9	-178.4	-74.1	170.5	0	0	0	113.1	V6 V46 K55 R56 Y59	V6-L50 HydrophobicContact CG1-CD2 4.11Å; V6-L50 HydrophobicContact CG1-CG 4.49Å; V46-L50 HydrophobicContact CG1-CD1 3.92Å; V46-L50 HydrophobicContact CG1-CG 4.22Å; V46-L50 WeakPolarHBondContact O-CG 3.47Å; V46-L50 PolarHBondContact O-N 3.21Å; L50-K55 HydrophobicContact CD1-CB 4.48Å; L50-R56 HydrophobicContact CB-CG 3.87Å; L50-R56 WeakPolarHBondContact O-CD 3.46Å; L50-R56 PolarHBondContact O-NH1 3.07Å; L50-Y59 HydrophobicContact CD1-CD2 3.32Å; L50-Y59 HydrophobicContact CD1-CE2 3.48Å; L50-Y59 VanDerWaalsContact CD1-CE2 3.48Å; L50-Y59 HydrophobicContact CD1-CG 4.47Å
51	K	84.6	Confident	89.9	Confident	202 Å²	202	75 Å²	75	88%	0.878	37%	0.371	S	S	*	.			trans	-98.5	-21.2	174.5	-61.2	-177.9	-179	179.1	0	114
52	D	88	Confident	89.9	Confident	73 Å²	73	75.2 Å²	75.2	39%	0.39	37%	0.371	S	S	.	.			trans	-79.4	115.9	-177.4	179.4	-40.5	0	0	0	111.3	S54 K55 R56	D52-S54 PolarHBondContact O-N 3.34Å; D52-S54 WeakPolarHBondContact OD1-CA 3.35Å; D52-S54 WeakPolarHBondContact OD1-CB 3.4Å; D52-S54 PolarHBondContact OD1-N 3.1Å; D52-K55 HydrophobicContact CB-CB 4.15Å; D52-K55 HydrophobicContact CB-CD 4.23Å; D52-K55 HydrophobicContact CB-CG 4.27Å; D52-K55 PolarHBondContact O-N 2.91Å; D52-K55 PolarHBondContact OD1-N 3.45Å; D52-R56 WeakPolarHBondContact O-CB 3.14Å; D52-R56 WeakPolarHBondContact O-CD 3.36Å; D52-R56 WeakPolarHBondContact O-CG 3.49Å; D52-R56 PolarHBondContact O-N 3.1Å
53	D	85.1	Confident	89.9	Confident	125 Å²	125	73.3 Å²	73.3	67%	0.668	36%	0.361	S	S	*	.	H	α-helix	trans	-67.2	-30.5	-176.2	-81.1	-28.6	0	0	0	114.7	R56 G57	D53-R56 IonicContact OD1-NE 2.92Å; D53-G57 PolarHBondContact O-N 3.12Å
54	S	85.7	Confident	90.1	Very high	100 Å²	100	79.5 Å²	79.5	70%	0.699	39%	0.388	S	S	*	.	H	α-helix	trans	-69.4	-47.9	176.9	-177.3	0	0	0	0	110.7	D52 R56 G57 H58	D52-S54 PolarHBondContact O-N 3.34Å; D52-S54 WeakPolarHBondContact OD1-CA 3.35Å; D52-S54 WeakPolarHBondContact OD1-CB 3.4Å; D52-S54 PolarHBondContact OD1-N 3.1Å; S54-R56 VanDerWaalsContact C-N 3.31Å; S54-R56 PolarHBondContact O-N 2.79Å; S54-G57 PolarHBondContact O-N 3.48Å; S54-G57 VanDerWaalsContact O-N 3.14Å; S54-H58 PolarHBondContact O-N 3.03Å; S54-H58 VanDerWaalsContact O-N 3.12Å
55	K	86.7	Confident	90.2	Very high	117 Å²	117	79.1 Å²	79.1	51%	0.509	40%	0.396	S	S	.	.	H	α-helix	trans	-62.7	-38.1	174.9	-68.7	-176	-179.2	-178	0	111.8	L50 D52 G57 H58 Y59	L50-K55 HydrophobicContact CD1-CB 4.48Å; D52-K55 HydrophobicContact CB-CB 4.15Å; D52-K55 HydrophobicContact CB-CD 4.23Å; D52-K55 HydrophobicContact CB-CG 4.27Å; D52-K55 PolarHBondContact O-N 2.91Å; D52-K55 PolarHBondContact OD1-N 3.45Å; K55-G57 VanDerWaalsContact C-N 3.31Å; K55-G57 PolarHBondContact O-N 2.99Å; K55-H58 PolarHBondContact O-N 3.06Å; K55-Y59 WeakPolarHBondContact O-CD2 3.46Å; K55-Y59 PolarHBondContact O-N 3.28Å
56	R	89.4	Confident	90.5	Very high	53 Å²	53	79.8 Å²	79.8	20%	0.2	40%	0.395	C	S	.	.	H	α-helix	trans	-61.2	-40.2	174.5	-71	161.9	68.9	69.3	9.7	111.8	L47 L50 D52 D53 S54 R60	L47-R56 HydrophobicContact CD1-CB 3.77Å; L47-R56 HydrophobicContact CD1-CG 3.89Å; L47-R56 WeakPolarHBondContact CD1-O 3.5Å; L47-R56 PolarHBondContact O-NH1 3.15Å; L50-R56 HydrophobicContact CB-CG 3.87Å; L50-R56 WeakPolarHBondContact O-CD 3.46Å; L50-R56 PolarHBondContact O-NH1 3.07Å; D52-R56 WeakPolarHBondContact O-CB 3.14Å; D52-R56 WeakPolarHBondContact O-CD 3.36Å; D52-R56 WeakPolarHBondContact O-CG 3.49Å; D52-R56 PolarHBondContact O-N 3.1Å; D53-R56 IonicContact OD1-NE 2.92Å; S54-R56 VanDerWaalsContact C-N 3.31Å; S54-R56 PolarHBondContact O-N 2.79Å; R56-R60 WeakPolarHBondContact O-CG 3.35Å; R56-R60 PolarHBondContact O-N 2.84Å; R56-R60 VanDerWaalsContact O-N 3.08Å
57	G	89.2	Confident	90.7	Very high	33 Å²	33	84.4 Å²	84.4	34%	0.34	42%	0.418	S	S	.	.	H	α-helix	trans	-57.6	-51.3	172.6	0	0	0	0	0	112.2	D53 S54 K55 Y59 R60 E61	D53-G57 PolarHBondContact O-N 3.12Å; S54-G57 PolarHBondContact O-N 3.48Å; S54-G57 VanDerWaalsContact O-N 3.14Å; K55-G57 VanDerWaalsContact C-N 3.31Å; K55-G57 PolarHBondContact O-N 2.99Å; G57-Y59 PolarHBondContact O-N 3.2Å; G57-R60 PolarHBondContact O-N 2.9Å; G57-E61 PolarHBondContact O-N 3.47Å
58	H	90.1	Very high	91.1	Very high	100 Å²	100	87.2 Å²	87.2	46%	0.463	43%	0.433	S	S	.	.	H	α-helix	trans	-57.2	-47.3	178.8	-177.4	71	0	0	0	112.9	S54 K55 R60 E61 K62	S54-H58 PolarHBondContact O-N 3.03Å; S54-H58 VanDerWaalsContact O-N 3.12Å; K55-H58 PolarHBondContact O-N 3.06Å; H58-R60 PolarHBondContact O-N 3.34Å; H58-E61 PolarHBondContact O-N 2.97Å; H58-K62 PolarHBondContact O-N 2.89Å; H58-K62 VanDerWaalsContact O-N 3.08Å
59	Y	90.4	Very high	91.4	Very high	28 Å²	28	85 Å²	85	11%	0.11	42%	0.42	C	S	.	.	H	α-helix	trans	-67.6	-35.3	-179.8	-76.5	-59	0	0	0	113.2	E10 L43 V46 L50 K55 G57 E61 K62 I63	E10-Y59 WeakPolarHBondContact CG-OH 3.4Å; E10-Y59 PolarHBondContact OE1-OH 3.04Å; E10-Y59 PolarHBondContact OE2-OH 3.48Å; E10-Y59 VanDerWaalsContact OE2-OH 3.1Å; L43-Y59 HydrophobicContact CD2-CD1 3.96Å; L43-Y59 HydrophobicContact CD2-CE1 4.02Å; V46-Y59 HydrophobicContact CG1-CE2 4.46Å; L50-Y59 HydrophobicContact CD1-CD2 3.32Å; L50-Y59 HydrophobicContact CD1-CE2 3.48Å; L50-Y59 VanDerWaalsContact CD1-CE2 3.48Å; L50-Y59 HydrophobicContact CD1-CG 4.47Å; K55-Y59 WeakPolarHBondContact O-CD2 3.46Å; K55-Y59 PolarHBondContact O-N 3.28Å; G57-Y59 PolarHBondContact O-N 3.2Å; Y59-E61 VanDerWaalsContact C-N 3.33Å; Y59-E61 PolarHBondContact O-N 2.96Å; Y59-K62 PolarHBondContact O-N 3.05Å; Y59-I63 WeakPolarHBondContact O-CB 3.42Å; Y59-I63 WeakPolarHBondContact O-CD1 3.32Å; Y59-I63 WeakPolarHBondContact O-CG1 3.33Å; Y59-I63 PolarHBondContact O-N 2.68Å
60	R	92.8	Very high	91.7	Very high	127 Å²	127	83.9 Å²	83.9	48%	0.479	41%	0.412	S	S	.	.	H	α-helix	trans	-61.1	-43	174.3	-76.7	177	-172.2	139.4	-3.4	111.9	L47 R56 G57 H58 I63 K64	L47-R60 HydrophobicContact CD1-CG 4.19Å; L47-R60 HydrophobicContact CD2-CG 3.72Å; R56-R60 WeakPolarHBondContact O-CG 3.35Å; R56-R60 PolarHBondContact O-N 2.84Å; R56-R60 VanDerWaalsContact O-N 3.08Å; G57-R60 PolarHBondContact O-N 2.9Å; H58-R60 PolarHBondContact O-N 3.34Å; R60-I63 PolarHBondContact O-N 2.9Å; R60-K64 WeakPolarHBondContact O-CB 3.35Å; R60-K64 PolarHBondContact O-N 3.37Å
61	E	94.3	Very high	92.1	Very high	146 Å²	146	87.8 Å²	87.8	68%	0.682	43%	0.429	S	S	*	.	H	α-helix	trans	-64.3	-44	177.9	-172.5	176.2	-165.7	0	0	111.4	G57 H58 Y59 K64 G65	G57-E61 PolarHBondContact O-N 3.47Å; H58-E61 PolarHBondContact O-N 2.97Å; Y59-E61 VanDerWaalsContact C-N 3.33Å; Y59-E61 PolarHBondContact O-N 2.96Å; E61-K64 PolarHBondContact O-N 3.42Å; E61-G65 PolarHBondContact O-N 2.9Å
62	K	94	Very high	92.6	Very high	97 Å²	97	83.4 Å²	83.4	42%	0.422	41%	0.412	S	S	.	.	H	α-helix	trans	-61.8	-47.4	174.8	-71.8	-67.6	-174.6	-179.3	0	112.6	H58 Y59 K64 G65 Y66	H58-K62 PolarHBondContact O-N 2.89Å; H58-K62 VanDerWaalsContact O-N 3.08Å; Y59-K62 PolarHBondContact O-N 3.05Å; K62-K64 VanDerWaalsContact C-N 3.29Å; K62-K64 PolarHBondContact O-N 3.07Å; K62-G65 PolarHBondContact O-N 3.29Å; K62-Y66 HydrophobicContact CB-CD2 4.5Å; K62-Y66 HydrophobicContact CB-CE2 4.27Å; K62-Y66 WeakPolarHBondContact O-CD2 3.25Å; K62-Y66 PolarHBondContact O-N 3.49Å
63	I	94.8	Very high	92.9	Very high	13 Å²	13	80.2 Å²	80.2	7%	0.067	40%	0.395	C	S	.	.	H	α-helix	trans	-56.6	-46.6	176.6	-73.3	162.9	0	0	0	109.9	I40 L43 I44 L47 Y59 R60 G65 Y66 M67	I40-I63 HydrophobicContact CG2-CG2 4.16Å; L43-I63 HydrophobicContact CB-CD1 3.97Å; L43-I63 HydrophobicContact CB-CG1 3.73Å; L43-I63 HydrophobicContact CD1-CG1 4.04Å; I44-I63 HydrophobicContact CG1-CD1 4.02Å; I44-I63 HydrophobicContact CG1-CG2 4.36Å; L47-I63 HydrophobicContact CB-CD1 4.42Å; L47-I63 HydrophobicContact CD2-CD1 4.1Å; Y59-I63 WeakPolarHBondContact O-CB 3.42Å; Y59-I63 WeakPolarHBondContact O-CD1 3.32Å; Y59-I63 WeakPolarHBondContact O-CG1 3.33Å; Y59-I63 PolarHBondContact O-N 2.68Å; R60-I63 PolarHBondContact O-N 2.9Å; I63-G65 PolarHBondContact O-N 3.08Å; I63-Y66 PolarHBondContact O-N 2.99Å; I63-M67 HydrophobicContact CG2-CG 4.13Å; I63-M67 HydrophobicContact CG2-SD 3.65Å; I63-M67 WeakPolarHBondContact O-CB 3.32Å; I63-M67 VanDerWaalsContact O-CG 3.27Å; I63-M67 WeakPolarHBondContact O-CG 3.41Å; I63-M67 PolarHBondContact O-N 2.84Å
64	K	96.3	Very high	93.2	Very high	135 Å²	135	78 Å²	78	59%	0.587	38%	0.379	S	S	*	.	H	α-helix	trans	-57.8	-49.5	177.3	-174.7	-177.2	175.7	-173.4	0	111.6	R60 E61 K62 Y66 M67 D68	R60-K64 WeakPolarHBondContact O-CB 3.35Å; R60-K64 PolarHBondContact O-N 3.37Å; E61-K64 PolarHBondContact O-N 3.42Å; K62-K64 VanDerWaalsContact C-N 3.29Å; K62-K64 PolarHBondContact O-N 3.07Å; K64-Y66 VanDerWaalsContact C-N 3.35Å; K64-Y66 PolarHBondContact O-N 3.47Å; K64-M67 PolarHBondContact O-N 3.46Å; K64-D68 WeakPolarHBondContact O-CB 3.24Å; K64-D68 VanDerWaalsContact O-CG 3.23Å; K64-D68 PolarHBondContact O-N 3.09Å
65	G	96.2	Very high	93.6	Very high	40 Å²	40	76.8 Å²	76.8	41%	0.412	37%	0.371	S	S	.	.	H	α-helix	trans	-59.8	-41.8	178.7	0	0	0	0	0	113.5	E61 K62 I63 R69	E61-G65 PolarHBondContact O-N 2.9Å; K62-G65 PolarHBondContact O-N 3.29Å; I63-G65 PolarHBondContact O-N 3.08Å; G65-R69 PolarHBondContact O-N 3.35Å; G65-R69 VanDerWaalsContact O-N 3.16Å
66	Y	96.8	Very high	93.8	Very high	62 Å²	62	75.9 Å²	75.9	24%	0.243	37%	0.368	C	S	.	.	H	α-helix	trans	-69.7	-38.3	176	-67.8	-53.5	0	0	0	112.7	L17 V21 Y36 L43 K62 I63 K64 R69 A70	L17-Y66 HydrophobicContact CD1-CD2 3.92Å; L17-Y66 HydrophobicContact CD1-CE2 3.71Å; L17-Y66 HydrophobicContact CD2-CD1 4.17Å; L17-Y66 HydrophobicContact CD2-CD2 4.01Å; L17-Y66 HydrophobicContact CD2-CE1 4.43Å; L17-Y66 HydrophobicContact CD2-CE2 4.3Å; L17-Y66 HydrophobicContact CD2-CG 3.96Å; L17-Y66 HydrophobicContact CG-CE2 4.43Å; V21-Y66 HydrophobicContact CG2-CE1 4.47Å; Y36-Y66 HydrophobicContact CD1-CD1 4.02Å; Y36-Y66 AromaticContact CE1-CD1 3.64Å; Y36-Y66 HydrophobicContact CE1-CD1 3.64Å; Y36-Y66 HydrophobicContact CE1-CE1 4.19Å; L43-Y66 HydrophobicContact CD1-CD2 4.18Å; L43-Y66 HydrophobicContact CD1-CE2 4.28Å; K62-Y66 HydrophobicContact CB-CD2 4.5Å; K62-Y66 HydrophobicContact CB-CE2 4.27Å; K62-Y66 WeakPolarHBondContact O-CD2 3.25Å; K62-Y66 PolarHBondContact O-N 3.49Å; I63-Y66 PolarHBondContact O-N 2.99Å; K64-Y66 VanDerWaalsContact C-N 3.35Å; K64-Y66 PolarHBondContact O-N 3.47Å; Y66-R69 PolarHBondContact O-N 3.42Å; Y66-A70 WeakPolarHBondContact O-CB 3.34Å; Y66-A70 PolarHBondContact O-N 2.82Å
67	M	95.6	Very high	93.8	Very high	97 Å²	97	73.4 Å²	73.4	48%	0.478	36%	0.359	S	S	.	.	H	α-helix	trans	-63.2	-44.6	174.9	-76.3	-180	67.5	0	0	111.7	I40 I63 K64 R69 A70 E71	I40-M67 HydrophobicContact CD1-CB 4.46Å; I40-M67 HydrophobicContact CD1-CG 3.84Å; I40-M67 HydrophobicContact CG1-CG 4.41Å; I40-M67 HydrophobicContact CG2-CG 3.92Å; I40-M67 HydrophobicContact CG2-SD 4.42Å; I63-M67 HydrophobicContact CG2-CG 4.13Å; I63-M67 HydrophobicContact CG2-SD 3.65Å; I63-M67 WeakPolarHBondContact O-CB 3.32Å; I63-M67 VanDerWaalsContact O-CG 3.27Å; I63-M67 WeakPolarHBondContact O-CG 3.41Å; I63-M67 PolarHBondContact O-N 2.84Å; K64-M67 PolarHBondContact O-N 3.46Å; M67-R69 VanDerWaalsContact C-N 3.31Å; M67-R69 PolarHBondContact O-N 3.15Å; M67-A70 PolarHBondContact O-N 2.97Å; M67-E71 PolarHBondContact O-N 2.78Å
68	D	96.9	Very high	93.8	Very high	84 Å²	84	74.9 Å²	74.9	45%	0.449	36%	0.359	S	S	.	.	H	α-helix	trans	-60.5	-43.1	178.1	-69.2	-19.3	0	0	0	110.5	K64 E71 Q72	K64-D68 WeakPolarHBondContact O-CB 3.24Å; K64-D68 VanDerWaalsContact O-CG 3.23Å; K64-D68 PolarHBondContact O-N 3.09Å; D68-E71 PolarHBondContact O-N 2.84Å; D68-Q72 VanDerWaalsContact O-CG 3.32Å; D68-Q72 WeakPolarHBondContact O-CG 3.26Å; D68-Q72 PolarHBondContact O-N 2.89Å; D68-Q72 VanDerWaalsContact O-N 3.16Å
69	R	96	Very high	93.7	Very high	95 Å²	95	74.5 Å²	74.5	36%	0.358	36%	0.357	S	S	.	.	H	α-helix	trans	-66.2	-43.5	175.8	-176.7	56.7	179.9	169.5	4.4	112.4	D24 Y36 G65 Y66 M67 E71 Q72 I73	D24-R69 VanDerWaalsContact CG-NH2 3.27Å; D24-R69 IonicContact OD1-CZ 3.85Å; D24-R69 IonicContact OD1-NE 3.47Å; D24-R69 IonicContact OD1-NH2 3.66Å; D24-R69 PolarHBondContact OD1-NH2 2.91Å; D24-R69 IonicContact OD2-CZ 3.09Å; D24-R69 VanDerWaalsContact OD2-CZ 3.27Å; D24-R69 IonicContact OD2-NE 3.94Å; D24-R69 PolarHBondContact OD2-NE 3.41Å; D24-R69 IonicContact OD2-NH2 3.79Å; D24-R69 PolarHBondContact OD2-NH2 2.68Å; Y36-R69 HydrophobicContact CE2-CG 4.2Å; G65-R69 PolarHBondContact O-N 3.35Å; G65-R69 VanDerWaalsContact O-N 3.16Å; Y66-R69 PolarHBondContact O-N 3.42Å; M67-R69 VanDerWaalsContact C-N 3.31Å; M67-R69 PolarHBondContact O-N 3.15Å; R69-E71 VanDerWaalsContact C-N 3.31Å; R69-E71 PolarHBondContact O-N 2.82Å; R69-Q72 WeakPolarHBondContact O-CB 3.37Å; R69-Q72 PolarHBondContact O-N 2.92Å; R69-I73 HydrophobicContact CG-CD1 3.99Å; R69-I73 WeakPolarHBondContact O-CG1 3.21Å; R69-I73 PolarHBondContact O-N 3.08Å
70	A	95.3	Very high	93.5	Very high	9 Å²	9	76 Å²	76	7%	0.074	37%	0.366	C	S	.	.	H	α-helix	trans	-60.3	-40.6	177.9	0	0	0	0	0	111.8	L33 Y36 I40 Y66 M67 I73 K74	L33-A70 HydrophobicContact CD1-CB 4.04Å; L33-A70 VanDerWaalsContact CD1-O 3.29Å; L33-A70 WeakPolarHBondContact CD1-O 3.08Å; Y36-A70 HydrophobicContact CG-CB 4.44Å; I40-A70 HydrophobicContact CD1-CB 4.32Å; Y66-A70 WeakPolarHBondContact O-CB 3.34Å; Y66-A70 PolarHBondContact O-N 2.82Å; M67-A70 PolarHBondContact O-N 2.97Å; A70-I73 PolarHBondContact O-N 3.38Å; A70-K74 VanDerWaalsContact O-CB 3.3Å; A70-K74 WeakPolarHBondContact O-CB 3.38Å; A70-K74 PolarHBondContact O-N 2.94Å
71	E	95.5	Very high	93.2	Very high	108 Å²	108	71.2 Å²	71.2	51%	0.505	35%	0.349	S	S	.	.	H	α-helix	trans	-68.3	-37.6	177.9	-165.4	60.9	-153	0	0	112	M67 D68 R69 K74 S75	M67-E71 PolarHBondContact O-N 2.78Å; D68-E71 PolarHBondContact O-N 2.84Å; R69-E71 VanDerWaalsContact C-N 3.31Å; R69-E71 PolarHBondContact O-N 2.82Å; E71-K74 PolarHBondContact O-N 2.83Å; E71-K74 IonicContact OE1-NZ 2.55Å; E71-K74 IonicContact OE2-NZ 3.99Å; E71-S75 WeakPolarHBondContact O-CB 3.35Å; E71-S75 PolarHBondContact O-N 3.36Å
72	Q	95.2	Very high	92.7	Very high	110 Å²	110	69.2 Å²	69.2	51%	0.514	34%	0.34	S	S	.	.	H	α-helix	trans	-60.6	-47.9	172.6	-70.4	169	12.8	0	0	111.9	D68 R69 K74 S75 H76	D68-Q72 VanDerWaalsContact O-CG 3.32Å; D68-Q72 WeakPolarHBondContact O-CG 3.26Å; D68-Q72 PolarHBondContact O-N 2.89Å; D68-Q72 VanDerWaalsContact O-N 3.16Å; R69-Q72 WeakPolarHBondContact O-CB 3.37Å; R69-Q72 PolarHBondContact O-N 2.92Å; Q72-K74 VanDerWaalsContact C-N 3.34Å; Q72-K74 PolarHBondContact O-N 3.34Å; Q72-S75 PolarHBondContact O-N 2.84Å; Q72-H76 WeakPolarHBondContact O-CB 3.46Å; Q72-H76 PolarHBondContact O-N 2.92Å
73	I	93.9	Very high	92.3	Very high	5 Å²	5	68.6 Å²	68.6	3%	0.026	34%	0.341	C	S	.	.	H	α-helix	trans	-60.6	-47.6	178.1	-67.2	165.9	0	0	0	109.7	D24 L29 L33 Y36 R69 A70 S75 H76 V77	D24-I73 HydrophobicContact CB-CD1 4.44Å; L29-I73 HydrophobicContact CB-CG2 4.04Å; L29-I73 HydrophobicContact CD2-CG2 4.4Å; L29-I73 WeakPolarHBondContact O-CG2 3.5Å; L33-I73 HydrophobicContact CB-CG2 4.05Å; Y36-I73 HydrophobicContact CD2-CD1 3.81Å; Y36-I73 HydrophobicContact CE2-CD1 3.52Å; R69-I73 HydrophobicContact CG-CD1 3.99Å; R69-I73 WeakPolarHBondContact O-CG1 3.21Å; R69-I73 PolarHBondContact O-N 3.08Å; A70-I73 PolarHBondContact O-N 3.38Å; I73-S75 PolarHBondContact O-N 3.02Å; I73-H76 PolarHBondContact O-N 2.99Å; I73-H76 VanDerWaalsContact O-N 3.15Å; I73-V77 HydrophobicContact CG2-CG2 4.15Å; I73-V77 WeakPolarHBondContact O-CB 3.39Å; I73-V77 VanDerWaalsContact O-CG2 3.31Å; I73-V77 WeakPolarHBondContact O-CG2 3.4Å; I73-V77 PolarHBondContact O-N 3.12Å
74	K	93.3	Very high	91.7	Very high	78 Å²	78	70.4 Å²	70.4	34%	0.339	36%	0.363	S	S	.	.	H	α-helix	trans	-58.2	-45.8	178.2	-177.5	-175.8	170.8	-159.9	0	112.2	L33 A70 E71 Q72 H76 V77 N78	L33-K74 HydrophobicContact CD1-CB 4.04Å; L33-K74 HydrophobicContact CD2-CB 3.9Å; L33-K74 HydrophobicContact CD2-CG 4.18Å; A70-K74 VanDerWaalsContact O-CB 3.3Å; A70-K74 WeakPolarHBondContact O-CB 3.38Å; A70-K74 PolarHBondContact O-N 2.94Å; E71-K74 PolarHBondContact O-N 2.83Å; E71-K74 IonicContact OE1-NZ 2.55Å; E71-K74 IonicContact OE2-NZ 3.99Å; Q72-K74 VanDerWaalsContact C-N 3.34Å; Q72-K74 PolarHBondContact O-N 3.34Å; K74-H76 VanDerWaalsContact C-N 3.32Å; K74-H76 PolarHBondContact O-N 3.47Å; K74-V77 PolarHBondContact O-N 2.77Å; K74-N78 WeakPolarHBondContact O-CB 3.44Å; K74-N78 PolarHBondContact O-N 2.77Å; K74-N78 PolarHBondContact O-ND2 3.4Å
75	S	93.1	Very high	91.1	Very high	76 Å²	76	71.6 Å²	71.6	53%	0.531	37%	0.368	S	S	.	.	H	α-helix	trans	-61	-42.4	176.2	-172.7	0	0	0	0	111.6	E71 Q72 I73 N78 Q79	E71-S75 WeakPolarHBondContact O-CB 3.35Å; E71-S75 PolarHBondContact O-N 3.36Å; Q72-S75 PolarHBondContact O-N 2.84Å; I73-S75 PolarHBondContact O-N 3.02Å; S75-N78 PolarHBondContact O-N 3.23Å; S75-Q79 PolarHBondContact O-N 3.3Å
76	H	91.3	Very high	90.7	Very high	98 Å²	98	70.1 Å²	70.1	45%	0.454	35%	0.35	S	S	.	.	H	α-helix	trans	-67.1	-45.1	179.6	-172.7	52.5	0	0	0	112.4	Q72 I73 K74 N78 Q79 M80	Q72-H76 WeakPolarHBondContact O-CB 3.46Å; Q72-H76 PolarHBondContact O-N 2.92Å; I73-H76 PolarHBondContact O-N 2.99Å; I73-H76 VanDerWaalsContact O-N 3.15Å; K74-H76 VanDerWaalsContact C-N 3.32Å; K74-H76 PolarHBondContact O-N 3.47Å; H76-N78 VanDerWaalsContact C-N 3.33Å; H76-N78 PolarHBondContact O-N 3.33Å; H76-Q79 WeakPolarHBondContact O-CB 3.31Å; H76-Q79 PolarHBondContact O-N 3.07Å; H76-M80 WeakPolarHBondContact NE2-CE 3.48Å; H76-M80 WeakPolarHBondContact O-CG 3.28Å; H76-M80 PolarHBondContact O-N 3.31Å
77	V	88.9	Confident	90.4	Very high	0 Å²	0	72.1 Å²	72.1	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-60	-44.9	175.2	167.8	0	0	0	0	110.7	L29 I73 K74 Q79 M80 K81 Y86	L29-V77 HydrophobicContact CB-CG2 3.68Å; L29-V77 HydrophobicContact CD1-CG2 4.28Å; I73-V77 HydrophobicContact CG2-CG2 4.15Å; I73-V77 WeakPolarHBondContact O-CB 3.39Å; I73-V77 VanDerWaalsContact O-CG2 3.31Å; I73-V77 WeakPolarHBondContact O-CG2 3.4Å; I73-V77 PolarHBondContact O-N 3.12Å; K74-V77 PolarHBondContact O-N 2.77Å; V77-Q79 VanDerWaalsContact C-N 3.34Å; V77-Q79 PolarHBondContact O-N 3.46Å; V77-M80 PolarHBondContact O-N 3.2Å; V77-K81 HydrophobicContact CG1-CD 4.04Å; V77-K81 HydrophobicContact CG1-CG 4.43Å; V77-K81 VanDerWaalsContact O-CG 3.25Å; V77-K81 WeakPolarHBondContact O-CG 3.36Å; V77-K81 PolarHBondContact O-N 2.97Å; V77-Y86 HydrophobicContact CB-CE2 4.42Å; V77-Y86 HydrophobicContact CG1-CD2 4.16Å; V77-Y86 HydrophobicContact CG1-CE2 3.78Å; V77-Y86 HydrophobicContact CG2-CE2 4.19Å
78	N	88.6	Confident	90.1	Very high	65 Å²	65	68 Å²	68	35%	0.348	34%	0.341	S	S	.	.	H	α-helix	trans	-61.8	-41.9	177	-72.7	-14.9	0	0	0	111.7	K74 S75 H76 M80 K81 E82	K74-N78 WeakPolarHBondContact O-CB 3.44Å; K74-N78 PolarHBondContact O-N 2.77Å; K74-N78 PolarHBondContact O-ND2 3.4Å; S75-N78 PolarHBondContact O-N 3.23Å; H76-N78 VanDerWaalsContact C-N 3.33Å; H76-N78 PolarHBondContact O-N 3.33Å; N78-M80 PolarHBondContact O-N 3.02Å; N78-K81 WeakPolarHBondContact O-CB 3.38Å; N78-K81 PolarHBondContact O-N 2.88Å; N78-E82 WeakPolarHBondContact O-CB 3.2Å; N78-E82 WeakPolarHBondContact O-CG 3.45Å; N78-E82 PolarHBondContact O-N 3.45Å
79	Q	88.2	Confident	89.9	Confident	91 Å²	91	69.6 Å²	69.6	43%	0.425	35%	0.346	S	S	.	.	H	α-helix	trans	-61.3	-45.1	174.4	-171	64.8	59.9	0	0	111.9	S75 H76 V77 K81 E82 D83	S75-Q79 PolarHBondContact O-N 3.3Å; H76-Q79 WeakPolarHBondContact O-CB 3.31Å; H76-Q79 PolarHBondContact O-N 3.07Å; V77-Q79 VanDerWaalsContact C-N 3.34Å; V77-Q79 PolarHBondContact O-N 3.46Å; Q79-K81 VanDerWaalsContact C-N 3.31Å; Q79-K81 PolarHBondContact O-N 3.11Å; Q79-E82 PolarHBondContact O-N 3.36Å; Q79-E82 VanDerWaalsContact O-N 3.13Å; Q79-D83 PolarHBondContact NE2-OD1 3.27Å; Q79-D83 WeakPolarHBondContact O-CB 3.48Å; Q79-D83 VanDerWaalsContact O-CG 3.3Å; Q79-D83 PolarHBondContact O-N 3.26Å
80	M	87.1	Confident	89.8	Confident	59 Å²	59	65.3 Å²	65.3	29%	0.291	33%	0.33	S	S	.	.	H	α-helix	trans	-61	-39.8	177.1	-74.3	177	162.6	0	0	112.4	L29 H76 V77 N78 G84 K85 Y86	L29-M80 HydrophobicContact CD1-SD 4.38Å; H76-M80 WeakPolarHBondContact NE2-CE 3.48Å; H76-M80 WeakPolarHBondContact O-CG 3.28Å; H76-M80 PolarHBondContact O-N 3.31Å; V77-M80 PolarHBondContact O-N 3.2Å; N78-M80 PolarHBondContact O-N 3.02Å; M80-G84 PolarHBondContact O-N 3.21Å; M80-K85 PolarHBondContact O-N 2.93Å; M80-Y86 HydrophobicContact CB-CD2 4.01Å; M80-Y86 PolarHBondContact O-N 3.33Å; M80-Y86 HydrophobicContact SD-CD2 4.42Å
81	K	86.6	Confident	89.8	Confident	28 Å²	28	71 Å²	71	12%	0.122	35%	0.353	C	S	.	.	H	α-helix	trans	-64.6	-42.3	173.5	-69.4	172.6	179.6	171	0	111.1	V77 N78 Q79 D83 G84 Y86 H240	V77-K81 HydrophobicContact CG1-CD 4.04Å; V77-K81 HydrophobicContact CG1-CG 4.43Å; V77-K81 VanDerWaalsContact O-CG 3.25Å; V77-K81 WeakPolarHBondContact O-CG 3.36Å; V77-K81 PolarHBondContact O-N 2.97Å; N78-K81 WeakPolarHBondContact O-CB 3.38Å; N78-K81 PolarHBondContact O-N 2.88Å; Q79-K81 VanDerWaalsContact C-N 3.31Å; Q79-K81 PolarHBondContact O-N 3.11Å; K81-D83 VanDerWaalsContact C-N 3.32Å; K81-D83 PolarHBondContact O-N 3.45Å; K81-G84 PolarHBondContact O-N 3.49Å; K81-G84 VanDerWaalsContact O-N 3.17Å; K81-Y86 HydrophobicContact CG-CD2 4.21Å; K81-Y86 HydrophobicContact CG-CG 4.41Å; K81-H240 HydrophobicContact CG-CB 3.91Å
82	E	84.1	Confident	89.9	Confident	104 Å²	104	65.9 Å²	65.9	49%	0.486	33%	0.329	S	S	.	.	H	α-helix	trans	-65.2	-36.9	179.6	-78.4	179.1	-168.6	0	0	113	N78 Q79 G84 K242	N78-E82 WeakPolarHBondContact O-CB 3.2Å; N78-E82 WeakPolarHBondContact O-CG 3.45Å; N78-E82 PolarHBondContact O-N 3.45Å; Q79-E82 PolarHBondContact O-N 3.36Å; Q79-E82 VanDerWaalsContact O-N 3.13Å; E82-G84 PolarHBondContact O-N 2.9Å; E82-K242 WeakPolarHBondContact O-CE 3.05Å; E82-K242 PolarHBondContact O-NZ 3.47Å
83	D	84	Confident	90	Very high	83 Å²	83	63.7 Å²	63.7	44%	0.444	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-8.1	177.1	-68.8	1	0	0	0	112.7	Q79 K81 K85	Q79-D83 PolarHBondContact NE2-OD1 3.27Å; Q79-D83 WeakPolarHBondContact O-CB 3.48Å; Q79-D83 VanDerWaalsContact O-CG 3.3Å; Q79-D83 PolarHBondContact O-N 3.26Å; K81-D83 VanDerWaalsContact C-N 3.32Å; K81-D83 PolarHBondContact O-N 3.45Å; D83-K85 HydrophobicContact CB-CB 4.32Å; D83-K85 HydrophobicContact CB-CD 4Å; D83-K85 HydrophobicContact CB-CG 4.04Å; D83-K85 PolarHBondContact O-N 2.94Å
84	G	82.4	Confident	90.2	Very high	52 Å²	52	68 Å²	68	54%	0.536	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.3	22	-173.9	0	0	0	0	0	113.6	M80 K81 E82	M80-G84 PolarHBondContact O-N 3.21Å; K81-G84 PolarHBondContact O-N 3.49Å; K81-G84 VanDerWaalsContact O-N 3.17Å; E82-G84 PolarHBondContact O-N 2.9Å
85	K	83.9	Confident	90.4	Very high	159 Å²	159	68.1 Å²	68.1	69%	0.691	35%	0.35	S	S	*	.			trans	-107.2	5	-175.4	-66.9	177.1	-174.1	167	0	113.3	M80 D83 H87	M80-K85 PolarHBondContact O-N 2.93Å; D83-K85 HydrophobicContact CB-CB 4.32Å; D83-K85 HydrophobicContact CB-CD 4Å; D83-K85 HydrophobicContact CB-CG 4.04Å; D83-K85 PolarHBondContact O-N 2.94Å; K85-H87 PolarHBondContact O-N 2.91Å; K85-H87 VanDerWaalsContact O-N 3.13Å
86	Y	88.2	Confident	90.7	Very high	9 Å²	9	65.6 Å²	65.6	4%	0.035	33%	0.334	C	S	.	.			trans	-67.3	114.5	177.7	-166	-76.2	0	0	0	110	Q30 V77 M80 K81 E88 W201 I238 H240	Q30-Y86 WeakPolarHBondContact CB-OH 3.39Å; V77-Y86 HydrophobicContact CB-CE2 4.42Å; V77-Y86 HydrophobicContact CG1-CD2 4.16Å; V77-Y86 HydrophobicContact CG1-CE2 3.78Å; V77-Y86 HydrophobicContact CG2-CE2 4.19Å; M80-Y86 HydrophobicContact CB-CD2 4.01Å; M80-Y86 PolarHBondContact O-N 3.33Å; M80-Y86 HydrophobicContact SD-CD2 4.42Å; K81-Y86 HydrophobicContact CG-CD2 4.21Å; K81-Y86 HydrophobicContact CG-CG 4.41Å; Y86-E88 HydrophobicContact CE1-CB 3.82Å; Y86-E88 PolarHBondContact OH-OE2 3.42Å; Y86-W201 HydrophobicContact CD1-CH2 4.15Å; Y86-W201 AromaticContact CD1-CZ3 3.58Å; Y86-W201 HydrophobicContact CD1-CZ3 3.58Å; Y86-W201 HydrophobicContact CD2-CH2 4.46Å; Y86-W201 AromaticContact CE1-CH2 3.82Å; Y86-W201 HydrophobicContact CE1-CH2 3.82Å; Y86-W201 AromaticContact CE1-CZ3 3.44Å; Y86-W201 HydrophobicContact CE1-CZ3 3.44Å; Y86-W201 VanDerWaalsContact CE1-CZ3 3.44Å; Y86-W201 HydrophobicContact CE2-CH2 4.12Å; Y86-W201 HydrophobicContact CE2-CZ3 4.49Å; Y86-W201 HydrophobicContact CG-CH2 4.48Å; Y86-W201 HydrophobicContact CG-CZ3 4.2Å; Y86-W201 AromaticContact CZ-CH2 3.8Å; Y86-W201 AromaticContact CZ-CZ3 3.94Å; Y86-I238 HydrophobicContact CE1-CG2 4.21Å; Y86-H240 HydrophobicContact CD1-CB 4.49Å; Y86-H240 HydrophobicContact CG-CB 4.32Å
87	H	89.9	Confident	91	Very high	104 Å²	104	64.2 Å²	64.2	48%	0.481	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	127.3	169	174	-132.7	0	0	0	108.4	K85 D237 I238 F239	K85-H87 PolarHBondContact O-N 2.91Å; K85-H87 VanDerWaalsContact O-N 3.13Å; H87-D237 IonicContact CE1-OD1 3.81Å; H87-D237 IonicContact NE2-OD1 2.65Å; H87-D237 PolarHBondContact NE2-OD1 3.48Å; H87-D237 VanDerWaalsContact NE2-OD1 3.09Å; H87-I238 VanDerWaalsContact CA-O 3.32Å; H87-I238 WeakPolarHBondContact CA-O 3.3Å; H87-F239 HydrophobicContact CB-CD1 4.43Å; H87-F239 HydrophobicContact CB-CE1 4.48Å; H87-F239 AromaticContact CD2-CD1 3.9Å; H87-F239 AromaticContact CD2-CE1 3.4Å; H87-F239 VanDerWaalsContact CD2-CE1 3.4Å; H87-F239 WeakPolarHBondContact CD2-CE1 3.45Å; H87-F239 AromaticContact CD2-CZ 3.83Å; H87-F239 AromaticContact NE2-CE1 4Å
88	E	90.4	Very high	91.3	Very high	10 Å²	10	65.6 Å²	65.6	5%	0.047	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	136.1	172.6	177.8	176.9	165.1	0	0	108.3	R28 Y86 I238	R28-E88 WeakPolarHBondContact CA-OE1 3.31Å; R28-E88 WeakPolarHBondContact CB-OE1 3.46Å; R28-E88 WeakPolarHBondContact CG-OE1 3.21Å; R28-E88 IonicContact NE-OE1 3.63Å; Y86-E88 HydrophobicContact CE1-CB 3.82Å; Y86-E88 PolarHBondContact OH-OE2 3.42Å; E88-I238 HydrophobicContact CB-CB 4.28Å; E88-I238 HydrophobicContact CB-CD1 4.37Å; E88-I238 HydrophobicContact CG-CD1 4.27Å; E88-I238 PolarHBondContact N-O 3.12Å; E88-I238 PolarHBondContact O-N 3.41Å
89	Q	92.3	Very high	91.7	Very high	118 Å²	118	64.7 Å²	64.7	55%	0.551	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.6	126.7	177	-175.7	175.7	78.4	0	0	110.1	V236 D237	Q89-V236 CarbonylContact C-O 3.57Å; Q89-V236 WeakPolarHBondContact CA-O 3.21Å; Q89-D237 PolarHBondContact NE2-OD1 2.84Å
90	I	93.7	Very high	92.2	Very high	5 Å²	5	60.8 Å²	60.8	3%	0.026	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	123.5	173.2	-55.1	166.7	0	0	0	107.6	Y99 L104 V236 I238	I90-Y99 HydrophobicContact CG2-CE1 3.93Å; I90-L104 HydrophobicContact CD1-CD1 3.97Å; I90-V236 HydrophobicContact CB-CB 4.2Å; I90-V236 PolarHBondContact N-O 2.97Å; I90-V236 PolarHBondContact O-N 3.44Å; I90-I238 HydrophobicContact CD1-CD1 3.63Å; I90-I238 HydrophobicContact CG1-CD1 4.03Å
91	K	95.8	Very high	92.7	Very high	129 Å²	129	58.4 Å²	58.4	56%	0.561	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.2	116.5	172	-170.3	175	-179.2	-175.6	0	109.7	E233	K91-E233 WeakPolarHBondContact CE-OE1 3.47Å; K91-E233 IonicContact NZ-OE1 3.85Å; K91-E233 PolarHBondContact NZ-OE1 3.22Å
92	I	97.5	Very high	93	Very high	0 Å²	0	60 Å²	60	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	110.1	170.6	-56.5	-177.9	0	0	0	106.7	A96 Y99 Y211 C231 E233 T234 V236	I92-A96 HydrophobicContact CG2-CB 4.22Å; I92-Y99 HydrophobicContact CD1-CD1 3.84Å; I92-Y99 HydrophobicContact CD1-CE1 4.47Å; I92-Y99 HydrophobicContact CD1-CG 3.92Å; I92-Y99 HydrophobicContact CG1-CD1 3.81Å; I92-Y99 HydrophobicContact CG1-CD2 4.43Å; I92-Y99 HydrophobicContact CG1-CE1 3.94Å; I92-Y99 HydrophobicContact CG1-CG 4.07Å; I92-Y99 HydrophobicContact CG2-CD2 4.02Å; I92-Y99 HydrophobicContact CG2-CE2 4.27Å; I92-Y99 HydrophobicContact CG2-CG 4.34Å; I92-Y211 HydrophobicContact CD1-CD2 4.21Å; I92-Y211 HydrophobicContact CD1-CE2 4.18Å; I92-C231 HydrophobicContact CG2-CB 3.57Å; I92-E233 VanDerWaalsContact O-CA 3.28Å; I92-E233 WeakPolarHBondContact O-CA 3.28Å; I92-E233 WeakPolarHBondContact O-CG 3.38Å; I92-T234 HydrophobicContact CB-CG2 3.91Å; I92-T234 HydrophobicContact CD1-CG2 3.84Å; I92-T234 HydrophobicContact CG1-CG2 4.18Å; I92-T234 PolarHBondContact N-O 3.36Å; I92-T234 PolarHBondContact O-N 2.77Å; I92-V236 HydrophobicContact CD1-CG2 4.05Å; I92-V236 HydrophobicContact CG1-CG2 4.49Å
93	S	97.9	Very high	93.5	Very high	65 Å²	65	56.6 Å²	56.6	46%	0.455	30%	0.304	S	S	.	.			trans	-70.4	156.7	176.6	-59.4	0	0	0	0	111.5	D95 A96	S93-D95 PolarHBondContact O-N 2.83Å; S93-A96 WeakPolarHBondContact O-CB 3.38Å; S93-A96 PolarHBondContact O-N 3.36Å; S93-A96 VanDerWaalsContact O-N 3.11Å
94	E	98	Very high	94	Very high	95 Å²	95	52.9 Å²	52.9	44%	0.444	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	135	171.8	-171.2	67.8	-175.3	0	0	110.9	A96 K213 E233	E94-A96 PolarHBondContact O-N 3.44Å; E94-A96 VanDerWaalsContact O-N 3.13Å; E94-K213 VanDerWaalsContact CD-NZ 3.33Å; E94-K213 WeakPolarHBondContact OE1-CE 3.44Å; E94-K213 IonicContact OE1-NZ 2.64Å; E94-K213 PolarHBondContact OE1-NZ 2.96Å; E94-E233 HydrophobicContact CB-CB 4.22Å; E94-E233 PolarHBondContact OE2-N 3.16Å
95	D	97.5	Very high	94.6	Very high	80 Å²	80	50.4 Å²	50.4	43%	0.428	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.8	8.1	-178.5	-73.1	-53.3	0	0	0	116.1	S93 K213 H230 C231	S93-D95 PolarHBondContact O-N 2.83Å; D95-K213 WeakPolarHBondContact OD1-CD 3.25Å; D95-K213 WeakPolarHBondContact OD1-CE 3.45Å; D95-K213 IonicContact OD1-NZ 3.82Å; D95-K213 PolarHBondContact OD1-NZ 3.12Å; D95-K213 IonicContact OD2-NZ 2.71Å; D95-K213 PolarHBondContact OD2-NZ 3.28Å; D95-H230 IonicContact OD1-CD2 2.76Å; D95-C231 WeakPolarHBondContact CA-O 3.37Å; D95-C231 PolarHBondContact N-O 3.33Å
96	A	97.8	Very high	94.9	Very high	23 Å²	23	46.4 Å²	46.4	19%	0.19	24%	0.241	C	C	.	.			trans	-64.2	150.6	175.4	0	0	0	0	0	112.1	I92 S93 E94 Y99 H230 C231	I92-A96 HydrophobicContact CG2-CB 4.22Å; S93-A96 WeakPolarHBondContact O-CB 3.38Å; S93-A96 PolarHBondContact O-N 3.36Å; S93-A96 VanDerWaalsContact O-N 3.11Å; E94-A96 PolarHBondContact O-N 3.44Å; E94-A96 VanDerWaalsContact O-N 3.13Å; A96-Y99 HydrophobicContact CB-CD2 4.23Å; A96-Y99 HydrophobicContact CB-CE2 3.83Å; A96-H230 CarbonylContact O-C 3.16Å; A96-H230 WeakPolarHBondContact O-CA 3.37Å; A96-C231 WeakPolarHBondContact O-CB 3.42Å; A96-C231 PolarHBondContact O-N 3.46Å; A96-C231 PolarHBondContact O-SG 3.31Å; A96-C231 VanDerWaalsContact O-SG 3.4Å
97	T	97.8	Very high	95.1	Very high	69 Å²	69	46.5 Å²	46.5	42%	0.423	24%	0.243	S	C	.	.			trans	-121.8	172.8	175.5	60	0	0	0	0	109.9	Y99 D227	T97-Y99 WeakPolarHBondContact O-CD2 3.41Å; T97-Y99 WeakPolarHBondContact O-CE2 3.28Å; T97-D227 WeakPolarHBondContact CB-O 3.47Å
98	G	95.9	Very high	95.2	Very high	30 Å²	30	41.7 Å²	41.7	31%	0.309	22%	0.22	S	C	.	.			trans	84.8	20.5	178.8	0	0	0	0	0	114.5	V103 D227	G98-V103 WeakPolarHBondContact O-CG1 3.16Å; G98-D227 WeakPolarHBondContact CA-O 3.28Å; G98-D227 PolarHBondContact N-O 3.42Å
99	Y	97	Very high	95.3	Very high	45 Å²	45	42.3 Å²	42.3	18%	0.176	22%	0.224	C	C	.	.			trans	-118.7	42	-178.4	-64.2	-83.9	0	0	0	111.6	I90 I92 A96 T97 Y211 F212	I90-Y99 HydrophobicContact CG2-CE1 3.93Å; I92-Y99 HydrophobicContact CD1-CD1 3.84Å; I92-Y99 HydrophobicContact CD1-CE1 4.47Å; I92-Y99 HydrophobicContact CD1-CG 3.92Å; I92-Y99 HydrophobicContact CG1-CD1 3.81Å; I92-Y99 HydrophobicContact CG1-CD2 4.43Å; I92-Y99 HydrophobicContact CG1-CE1 3.94Å; I92-Y99 HydrophobicContact CG1-CG 4.07Å; I92-Y99 HydrophobicContact CG2-CD2 4.02Å; I92-Y99 HydrophobicContact CG2-CE2 4.27Å; I92-Y99 HydrophobicContact CG2-CG 4.34Å; A96-Y99 HydrophobicContact CB-CD2 4.23Å; A96-Y99 HydrophobicContact CB-CE2 3.83Å; T97-Y99 WeakPolarHBondContact O-CD2 3.41Å; T97-Y99 WeakPolarHBondContact O-CE2 3.28Å; Y99-Y211 VanDerWaalsContact O-CE2 3.3Å; Y99-Y211 WeakPolarHBondContact O-CE2 3.42Å; Y99-Y211 PolarHBondContact O-OH 3.42Å; Y99-F212 WeakPolarHBondContact O-CZ 3.39Å
100	S	97.7	Very high	95	Very high	10 Å²	10	38.7 Å²	38.7	7%	0.07	21%	0.212	C	C	.	.			trans	-57.9	162	167	68.7	0	0	0	0	110.8	E102 V103 L104 D227	S100-E102 PolarHBondContact O-N 3.03Å; S100-V103 PolarHBondContact O-N 2.99Å; S100-V103 PolarHBondContact OG-N 2.93Å; S100-L104 WeakPolarHBondContact O-CB 3.22Å; S100-L104 PolarHBondContact O-N 3.01Å; S100-D227 WeakPolarHBondContact CB-OD1 3.4Å; S100-D227 PolarHBondContact N-OD1 3.42Å; S100-D227 VanDerWaalsContact OG-CG 3.28Å; S100-D227 PolarHBondContact OG-OD1 3.1Å; S100-D227 PolarHBondContact OG-OD2 3.4Å
101	Y	97.6	Very high	94.5	Very high	8 Å²	8	43.1 Å²	43.1	3%	0.031	24%	0.243	C	C	.	.	H	α-helix	trans	-59.4	-35.9	174.3	-60.2	-37.6	0	0	0	112.4	V103 L104 F105 N131 R134 F135 M138 L209 Y211 F212	Y101-V103 PolarHBondContact O-N 3.39Å; Y101-L104 PolarHBondContact O-N 2.97Å; Y101-F105 HydrophobicContact CD1-CD2 4.31Å; Y101-F105 AromaticContact CD1-CE2 3.66Å; Y101-F105 HydrophobicContact CD1-CE2 3.66Å; Y101-F105 HydrophobicContact CE1-CE2 4.49Å; Y101-F105 HydrophobicContact CG-CD2 4.42Å; Y101-F105 HydrophobicContact CG-CE2 4.13Å; Y101-F105 WeakPolarHBondContact O-CB 3.46Å; Y101-F105 VanDerWaalsContact O-CD2 3.22Å; Y101-F105 WeakPolarHBondContact O-CD2 3.17Å; Y101-F105 PolarHBondContact O-N 2.95Å; Y101-N131 HydrophobicContact CE2-CB 4.45Å; Y101-N131 WeakPolarHBondContact CE2-O 3.38Å; Y101-N131 WeakPolarHBondContact OH-CB 3.49Å; Y101-N131 VanDerWaalsContact OH-CG 3.26Å; Y101-N131 PolarHBondContact OH-OD1 2.87Å; Y101-R134 HydrophobicContact CD2-CB 4.03Å; Y101-R134 HydrophobicContact CE2-CB 4.05Å; Y101-F135 HydrophobicContact CD2-CB 3.99Å; Y101-F135 HydrophobicContact CE2-CB 4.19Å; Y101-M138 VanDerWaalsContact O-SD 3.39Å; Y101-L209 HydrophobicContact CD1-CD2 4.31Å; Y101-L209 HydrophobicContact CE1-CB 4.44Å; Y101-L209 HydrophobicContact CE1-CD2 3.72Å; Y101-L209 PolarHBondContact OH-O 2.72Å; Y101-Y211 HydrophobicContact CD1-CE1 4.23Å; Y101-Y211 WeakPolarHBondContact CD1-OH 3.35Å; Y101-Y211 AromaticContact CE1-CE1 3.7Å; Y101-Y211 HydrophobicContact CE1-CE1 3.7Å; Y101-Y211 AromaticContact CE1-CZ 3.9Å; Y101-F212 HydrophobicContact CD1-CE2 4.22Å; Y101-F212 HydrophobicContact CD1-CZ 4.4Å; Y101-F212 AromaticContact CE1-CE2 3.56Å; Y101-F212 HydrophobicContact CE1-CE2 3.56Å; Y101-F212 HydrophobicContact CE1-CZ 4.14Å; Y101-F212 HydrophobicContact CE2-CE2 4.17Å; Y101-F212 AromaticContact CZ-CE2 3.53Å
102	E	94.6	Very high	94	Very high	63 Å²	63	40.1 Å²	40.1	29%	0.294	24%	0.243	S	C	.	.	H	α-helix	trans	-60.1	-48.8	176.3	-173.7	168	-172.2	0	0	110.7	S100 L104 K106 M138 K141	S100-E102 PolarHBondContact O-N 3.03Å; E102-L104 VanDerWaalsContact C-N 3.35Å; E102-L104 PolarHBondContact O-N 3.06Å; E102-K106 WeakPolarHBondContact O-CB 3.2Å; E102-K106 PolarHBondContact O-N 3.16Å; E102-K106 VanDerWaalsContact O-N 3.09Å; E102-M138 HydrophobicContact CB-CG 3.98Å; E102-M138 HydrophobicContact CG-CG 4.46Å; E102-K141 IonicContact OE1-NZ 3.52Å; E102-K141 PolarHBondContact OE1-NZ 3.03Å; E102-K141 IonicContact OE2-NZ 2.7Å; E102-K141 PolarHBondContact OE2-NZ 2.85Å
103	V	92.9	Very high	93.7	Very high	32 Å²	32	40.1 Å²	40.1	19%	0.194	24%	0.243	C	C	.	.	H	α-helix	trans	-63.2	-42.8	177.2	175.6	0	0	0	0	111.6	G98 S100 Y101 D227	G98-V103 WeakPolarHBondContact O-CG1 3.16Å; S100-V103 PolarHBondContact O-N 2.99Å; S100-V103 PolarHBondContact OG-N 2.93Å; Y101-V103 PolarHBondContact O-N 3.39Å; V103-D227 VanDerWaalsContact CG2-OD1 3.26Å; V103-D227 WeakPolarHBondContact CG2-OD1 3.16Å
104	L	95.2	Very high	93.6	Very high	5 Å²	5	39.2 Å²	39.2	3%	0.026	24%	0.236	C	C	.	.	H	α-helix	trans	-71.9	-41.8	-173.2	-170.7	64.8	0	0	0	113	I90 S100 Y101 E102 Y108 I205 Y211 V236	I90-L104 HydrophobicContact CD1-CD1 3.97Å; S100-L104 WeakPolarHBondContact O-CB 3.22Å; S100-L104 PolarHBondContact O-N 3.01Å; Y101-L104 PolarHBondContact O-N 2.97Å; E102-L104 VanDerWaalsContact C-N 3.35Å; E102-L104 PolarHBondContact O-N 3.06Å; L104-Y108 VanDerWaalsContact O-CE2 3.28Å; L104-Y108 WeakPolarHBondContact O-CE2 3.43Å; L104-I205 HydrophobicContact CD2-CD1 3.96Å; L104-Y211 HydrophobicContact CD2-CE1 4.22Å; L104-V236 HydrophobicContact CD1-CG1 4.25Å; L104-V236 HydrophobicContact CD1-CG2 4.21Å; L104-V236 HydrophobicContact CD2-CG2 4.18Å
105	F	95.1	Very high	93.5	Very high	0 Å²	0	37 Å²	37	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-100.4	-24.7	-170.8	-63.6	-72.5	0	0	0	114.3	Y101 P107 Y108 I109 F135 M138 I195 F197 I203 I205 L209	Y101-F105 HydrophobicContact CD1-CD2 4.31Å; Y101-F105 AromaticContact CD1-CE2 3.66Å; Y101-F105 HydrophobicContact CD1-CE2 3.66Å; Y101-F105 HydrophobicContact CE1-CE2 4.49Å; Y101-F105 HydrophobicContact CG-CD2 4.42Å; Y101-F105 HydrophobicContact CG-CE2 4.13Å; Y101-F105 WeakPolarHBondContact O-CB 3.46Å; Y101-F105 VanDerWaalsContact O-CD2 3.22Å; Y101-F105 WeakPolarHBondContact O-CD2 3.17Å; Y101-F105 PolarHBondContact O-N 2.95Å; F105-P107 VanDerWaalsContact C-N 3.28Å; F105-P107 VanDerWaalsContact O-N 3.14Å; F105-Y108 PolarHBondContact O-N 2.94Å; F105-I109 HydrophobicContact CB-CD1 4.1Å; F105-I109 WeakPolarHBondContact O-CG1 3.38Å; F105-I109 PolarHBondContact O-N 3.26Å; F105-F135 HydrophobicContact CD1-CE2 4.36Å; F105-F135 AromaticContact CD2-CD2 3.96Å; F105-F135 HydrophobicContact CD2-CD2 3.96Å; F105-F135 AromaticContact CD2-CE2 3.8Å; F105-F135 HydrophobicContact CD2-CE2 3.8Å; F105-F135 HydrophobicContact CE1-CE2 4.28Å; F105-F135 AromaticContact CE2-CD2 3.75Å; F105-F135 HydrophobicContact CE2-CD2 3.75Å; F105-F135 AromaticContact CE2-CE2 3.72Å; F105-F135 HydrophobicContact CE2-CE2 3.72Å; F105-F135 HydrophobicContact CG-CE2 4.13Å; F105-F135 HydrophobicContact CZ-CD2 4.33Å; F105-F135 AromaticContact CZ-CE2 3.97Å; F105-F135 HydrophobicContact CZ-CE2 3.97Å; F105-M138 HydrophobicContact CB-CE 4.37Å; F105-M138 HydrophobicContact CB-SD 3.86Å; F105-M138 HydrophobicContact CD2-SD 4.29Å; F105-I195 HydrophobicContact CE1-CD1 3.65Å; F105-I195 HydrophobicContact CZ-CD1 3.46Å; F105-I195 VanDerWaalsContact CZ-CD1 3.46Å; F105-F197 HydrophobicContact CD1-CZ 4.16Å; F105-I203 HydrophobicContact CD1-CD1 4.45Å; F105-I203 HydrophobicContact CD1-CG1 4.46Å; F105-I203 HydrophobicContact CE1-CB 4.22Å; F105-I203 HydrophobicContact CE1-CG1 4.42Å; F105-I203 HydrophobicContact CE1-CG2 3.96Å; F105-I205 HydrophobicContact CE1-CD1 4.36Å; F105-I205 HydrophobicContact CZ-CD1 3.76Å; F105-L209 HydrophobicContact CE2-CD2 4.34Å; F105-L209 HydrophobicContact CZ-CD2 4.27Å
106	K	90.9	Very high	93.5	Very high	75 Å²	75	33.2 Å²	33.2	33%	0.326	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-50.9	-38.5	-177.7	179.3	178.6	176.8	-167.5	0	114.1	E38 E102 Y108 I109	E38-K106 WeakPolarHBondContact OE1-CE 3.44Å; E38-K106 IonicContact OE1-NZ 3.04Å; E38-K106 PolarHBondContact OE1-NZ 2.98Å; E38-K106 IonicContact OE2-NZ 3.53Å; E102-K106 WeakPolarHBondContact O-CB 3.2Å; E102-K106 PolarHBondContact O-N 3.16Å; E102-K106 VanDerWaalsContact O-N 3.09Å; K106-Y108 PolarHBondContact O-N 3.26Å; K106-Y108 VanDerWaalsContact O-N 3.08Å; K106-I109 PolarHBondContact O-N 3.49Å
107	P	92.1	Very high	93.5	Very high	10 Å²	10	34.6 Å²	34.6	7%	0.065	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-61.2	-19.9	178.1	-25.5	36.2	0	0	0	115.2	Q30 E31 V34 F105	Q30-P107 HydrophobicContact CG-CB 4.18Å; Q30-P107 WeakPolarHBondContact CG-O 3.19Å; Q30-P107 PolarHBondContact NE2-O 3.43Å; E31-P107 HydrophobicContact CB-CB 4.38Å; E31-P107 HydrophobicContact CB-CG 4.08Å; E31-P107 HydrophobicContact CG-CG 3.81Å; V34-P107 HydrophobicContact CG2-CB 4.17Å; F105-P107 VanDerWaalsContact C-N 3.28Å; F105-P107 VanDerWaalsContact O-N 3.14Å
108	Y	92.6	Very high	93.5	Very high	3 Å²	3	31.4 Å²	31.4	1%	0.012	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-107.4	-8.4	-174.8	-47.4	-66.3	0	0	0	112.6	Q30 L104 F105 K106 N199 W201 I203 I238	Q30-Y108 HydrophobicContact CB-CE1 4.01Å; Q30-Y108 HydrophobicContact CG-CD1 3.89Å; Q30-Y108 HydrophobicContact CG-CE1 3.67Å; L104-Y108 VanDerWaalsContact O-CE2 3.28Å; L104-Y108 WeakPolarHBondContact O-CE2 3.43Å; F105-Y108 PolarHBondContact O-N 2.94Å; K106-Y108 PolarHBondContact O-N 3.26Å; K106-Y108 VanDerWaalsContact O-N 3.08Å; Y108-N199 PolarHBondContact O-ND2 3.39Å; Y108-N199 VanDerWaalsContact O-ND2 3.1Å; Y108-W201 AromaticContact CD1-CD2 3.73Å; Y108-W201 HydrophobicContact CD1-CD2 3.73Å; Y108-W201 AromaticContact CD1-CE2 3.79Å; Y108-W201 AromaticContact CD1-CE3 3.82Å; Y108-W201 HydrophobicContact CD1-CE3 3.82Å; Y108-W201 HydrophobicContact CD1-CG 4.28Å; Y108-W201 HydrophobicContact CD1-CH2 4.01Å; Y108-W201 AromaticContact CD1-CZ2 3.91Å; Y108-W201 HydrophobicContact CD1-CZ2 3.91Å; Y108-W201 AromaticContact CD1-CZ3 3.97Å; Y108-W201 HydrophobicContact CD1-CZ3 3.97Å; Y108-W201 HydrophobicContact CE1-CE3 4.32Å; Y108-W201 HydrophobicContact CE1-CH2 4.18Å; Y108-W201 HydrophobicContact CE1-CZ2 4.47Å; Y108-W201 HydrophobicContact CE1-CZ3 4.11Å; Y108-W201 HydrophobicContact CG-CD2 4.4Å; Y108-W201 HydrophobicContact CG-CG 4.5Å; Y108-W201 VanDerWaalsContact O-CD1 3.23Å; Y108-I203 HydrophobicContact CD2-CG1 4.49Å; Y108-I238 HydrophobicContact CD1-CG2 4.12Å; Y108-I238 HydrophobicContact CE1-CG1 4.45Å; Y108-I238 HydrophobicContact CE1-CG2 3.65Å; Y108-I238 HydrophobicContact CE2-CD1 4.16Å; Y108-I238 HydrophobicContact CE2-CG1 4.08Å; Y108-I238 WeakPolarHBondContact OH-CD1 3.49Å
109	I	91	Very high	93.7	Very high	24 Å²	24	32.4 Å²	32.4	12%	0.123	18%	0.183	C	C	.	.			trans	-86.7	122.3	176.5	-65	168.8	0	0	0	108.9	F105 K106 L113 M138 L139 C143 F197	F105-I109 HydrophobicContact CB-CD1 4.1Å; F105-I109 WeakPolarHBondContact O-CG1 3.38Å; F105-I109 PolarHBondContact O-N 3.26Å; K106-I109 PolarHBondContact O-N 3.49Å; I109-L113 HydrophobicContact CB-CD2 4.45Å; I109-L113 HydrophobicContact CG1-CD2 4.17Å; I109-L113 HydrophobicContact CG2-CD2 3.99Å; I109-M138 HydrophobicContact CD1-CE 3.51Å; I109-M138 HydrophobicContact CD1-SD 3.82Å; I109-L139 HydrophobicContact CD1-CD2 4.07Å; I109-C143 HydrophobicContact CG2-CB 3.79Å; I109-F197 HydrophobicContact CG1-CE2 4.16Å; I109-F197 HydrophobicContact CG1-CZ 4.37Å
110	S	85.9	Confident	93.7	Very high	42 Å²	42	30.4 Å²	30.4	29%	0.294	18%	0.175	S	C	.	.			trans	-111.3	157.9	176.4	74.3	0	0	0	0	110.7	A112 L113 N199	S110-A112 PolarHBondContact O-N 3.42Å; S110-L113 WeakPolarHBondContact O-CB 3.36Å; S110-L113 PolarHBondContact O-N 3.37Å; S110-N199 PolarHBondContact OG-ND2 3.49Å
111	S	83.4	Confident	93.7	Very high	97 Å²	97	30 Å²	30	68%	0.678	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-6.6	176.7	62.9	0	0	0	0	114.7	K145	S111-K145 VanDerWaalsContact O-CD 3.26Å; S111-K145 WeakPolarHBondContact O-CD 3.13Å; S111-K145 WeakPolarHBondContact O-CE 3.3Å
112	A	86.5	Confident	93.6	Very high	67 Å²	67	33.8 Å²	33.8	55%	0.554	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98	-8.4	174.6	0	0	0	0	0	113.3	S110 S114	S110-A112 PolarHBondContact O-N 3.42Å; A112-S114 PolarHBondContact O-N 2.9Å
113	L	91.4	Very high	93.7	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.174	C	C	.	.			trans	-61.9	123.5	-179.1	-179.2	75.7	0	0	0	110.4	I109 S110 I116 L139 C143 K145 V146 F197 D198	I109-L113 HydrophobicContact CB-CD2 4.45Å; I109-L113 HydrophobicContact CG1-CD2 4.17Å; I109-L113 HydrophobicContact CG2-CD2 3.99Å; S110-L113 WeakPolarHBondContact O-CB 3.36Å; S110-L113 PolarHBondContact O-N 3.37Å; L113-I116 HydrophobicContact CD1-CD1 4.46Å; L113-I116 HydrophobicContact CD1-CG1 4.26Å; L113-I116 HydrophobicContact CD2-CD1 4.06Å; L113-I116 HydrophobicContact CD2-CG1 4.13Å; L113-I116 HydrophobicContact CG-CD1 4.1Å; L113-I116 HydrophobicContact CG-CG1 4.33Å; L113-L139 HydrophobicContact CD2-CD2 4.29Å; L113-C143 PolarHBondContact O-SG 3.07Å; L113-K145 CarbonylContact O-C 3.59Å; L113-V146 HydrophobicContact CD2-CG2 4.1Å; L113-V146 HydrophobicContact CG-CG2 4.27Å; L113-V146 PolarHBondContact O-N 3Å; L113-F197 HydrophobicContact CD1-CB 3.54Å; L113-F197 HydrophobicContact CD1-CD1 4.15Å; L113-F197 HydrophobicContact CD1-CD2 4.48Å; L113-F197 HydrophobicContact CD1-CG 3.82Å; L113-D198 WeakPolarHBondContact CA-OD1 3.19Å; L113-D198 WeakPolarHBondContact CD1-OD1 3.36Å
114	S	94.1	Very high	93.7	Very high	45 Å²	45	32.3 Å²	32.3	32%	0.315	18%	0.176	S	C	.	.			trans	-126.4	-31.1	-175.8	69.9	0	0	0	0	114.4	A112 T147 K148 D198	A112-S114 PolarHBondContact O-N 2.9Å; S114-T147 PolarHBondContact O-N 2.99Å; S114-T147 PolarHBondContact O-OG1 2.88Å; S114-K148 PolarHBondContact O-N 3.45Å; S114-D198 WeakPolarHBondContact CA-OD2 3.42Å; S114-D198 WeakPolarHBondContact CB-OD2 3.44Å; S114-D198 PolarHBondContact N-OD2 3.47Å; S114-D198 PolarHBondContact OG-OD2 3.49Å
115	E	96.3	Very high	93.7	Very high	49 Å²	49	36.4 Å²	36.4	23%	0.229	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	135.8	-177.1	-164.1	166.6	-149.8	0	0	111.5	W117 K148 H150 D198	E115-W117 HydrophobicContact CB-CH2 3.8Å; E115-W117 HydrophobicContact CB-CZ2 4.46Å; E115-W117 HydrophobicContact CB-CZ3 4.09Å; E115-W117 VanDerWaalsContact CD-CZ2 3.45Å; E115-W117 HydrophobicContact CG-CH2 3.45Å; E115-W117 VanDerWaalsContact CG-CH2 3.45Å; E115-W117 HydrophobicContact CG-CZ2 3.61Å; E115-W117 HydrophobicContact CG-CZ3 3.97Å; E115-W117 WeakPolarHBondContact OE2-CH2 3.49Å; E115-K148 WeakPolarHBondContact CA-O 3.49Å; E115-K148 HydrophobicContact CG-CB 4.11Å; E115-K148 HydrophobicContact CG-CG 4.39Å; E115-K148 VanDerWaalsContact OE1-CD 3.3Å; E115-K148 WeakPolarHBondContact OE1-CD 3.48Å; E115-K148 WeakPolarHBondContact OE1-CE 3.45Å; E115-K148 IonicContact OE1-NZ 2.92Å; E115-K148 PolarHBondContact OE1-NZ 2.61Å; E115-H150 IonicContact OE1-CD2 3.75Å; E115-H150 IonicContact OE1-CE1 3.52Å; E115-H150 IonicContact OE1-NE2 2.68Å; E115-H150 PolarHBondContact OE1-NE2 3.48Å; E115-D198 HydrophobicContact CB-CB 4.2Å; E115-D198 PolarHBondContact N-OD2 3.23Å; E115-D198 WeakPolarHBondContact O-CB 3.48Å; E115-D198 PolarHBondContact O-N 2.7Å; E115-D198 VanDerWaalsContact O-N 3.1Å
116	I	97.4	Very high	93.7	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	138.9	-176.8	-60.4	88.8	0	0	0	109.6	L113 V118 F135 L139 V146 K148 I149 H150 I195 R196 F197	L113-I116 HydrophobicContact CD1-CD1 4.46Å; L113-I116 HydrophobicContact CD1-CG1 4.26Å; L113-I116 HydrophobicContact CD2-CD1 4.06Å; L113-I116 HydrophobicContact CD2-CG1 4.13Å; L113-I116 HydrophobicContact CG-CD1 4.1Å; L113-I116 HydrophobicContact CG-CG1 4.33Å; I116-V118 HydrophobicContact CG2-CG2 4.02Å; I116-F135 HydrophobicContact CG2-CE1 4.41Å; I116-F135 HydrophobicContact CG2-CZ 4.37Å; I116-L139 HydrophobicContact CD1-CD1 4.29Å; I116-L139 HydrophobicContact CD1-CD2 4.47Å; I116-L139 HydrophobicContact CG1-CD1 4.35Å; I116-L139 HydrophobicContact CG1-CD2 4.4Å; I116-V146 HydrophobicContact CD1-CB 4.14Å; I116-V146 HydrophobicContact CD1-CG1 3.44Å; I116-V146 VanDerWaalsContact CD1-CG1 3.44Å; I116-V146 HydrophobicContact CD1-CG2 3.6Å; I116-K148 PolarHBondContact N-O 3.11Å; I116-K148 VanDerWaalsContact N-O 3.08Å; I116-I149 CarbonylContact O-C 3.58Å; I116-I149 WeakPolarHBondContact O-CA 3.37Å; I116-H150 PolarHBondContact O-CD2 2.83Å; I116-H150 PolarHBondContact O-N 3.3Å; I116-I195 HydrophobicContact CG2-CG2 4.3Å; I116-R196 WeakPolarHBondContact CA-O 3.1Å; I116-F197 HydrophobicContact CB-CD1 4.31Å; I116-F197 HydrophobicContact CG1-CD1 3.76Å; I116-F197 HydrophobicContact CG1-CE1 4.04Å; I116-F197 HydrophobicContact CG2-CD1 3.83Å; I116-F197 HydrophobicContact CG2-CE1 3.77Å
117	W	98.3	Very high	93.9	Very high	53 Å²	53	40.5 Å²	40.5	20%	0.201	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	132.5	170.6	-59.9	-102.9	0	0	0	109.6	E115 H150 I195 R196 D198	E115-W117 HydrophobicContact CB-CH2 3.8Å; E115-W117 HydrophobicContact CB-CZ2 4.46Å; E115-W117 HydrophobicContact CB-CZ3 4.09Å; E115-W117 VanDerWaalsContact CD-CZ2 3.45Å; E115-W117 HydrophobicContact CG-CH2 3.45Å; E115-W117 VanDerWaalsContact CG-CH2 3.45Å; E115-W117 HydrophobicContact CG-CZ2 3.61Å; E115-W117 HydrophobicContact CG-CZ3 3.97Å; E115-W117 WeakPolarHBondContact OE2-CH2 3.49Å; W117-H150 CarbonylContact C-O 3.53Å; W117-H150 HydrophobicContact CB-CB 4.46Å; W117-H150 AromaticContact CD1-CD2 3.52Å; W117-H150 AromaticContact CD1-CG 3.6Å; W117-H150 AromaticContact CE2-CD2 3.59Å; W117-H150 AromaticContact CE2-NE2 3.8Å; W117-H150 HydrophobicContact CG-CB 4.15Å; W117-H150 AromaticContact CG-CD2 3.98Å; W117-H150 AromaticContact NE1-CD2 3.25Å; W117-H150 PolarHBondContact NE1-CD2 2.87Å; W117-H150 VanDerWaalsContact NE1-CD2 3.25Å; W117-H150 AromaticContact NE1-CE1 3.98Å; W117-H150 AromaticContact NE1-CG 3.65Å; W117-H150 AromaticContact NE1-NE2 3.51Å; W117-I195 CarbonylContact O-C 3.46Å; W117-I195 WeakPolarHBondContact O-CA 3.35Å; W117-R196 HydrophobicContact CB-CB 4.23Å; W117-R196 HydrophobicContact CE3-CB 4.31Å; W117-R196 PolarHBondContact N-O 3.04Å; W117-R196 PolarHBondContact O-N 3.02Å; W117-D198 HydrophobicContact CH2-CB 4.34Å; W117-D198 HydrophobicContact CZ3-CB 4.01Å
118	V	98.4	Very high	94.2	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.006	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	111.5	177.8	-178.4	0	0	0	0	107.7	I116 D120 F132 F135 H150 L151 L152 I195 L209	I116-V118 HydrophobicContact CG2-CG2 4.02Å; V118-D120 HydrophobicContact CG1-CB 4.39Å; V118-F132 HydrophobicContact CB-CE2 4.39Å; V118-F132 HydrophobicContact CG1-CE2 4.32Å; V118-F132 HydrophobicContact CG2-CE2 4.26Å; V118-F135 HydrophobicContact CG2-CD1 4.47Å; V118-F135 HydrophobicContact CG2-CE1 3.68Å; V118-F135 HydrophobicContact CG2-CZ 4.26Å; V118-H150 PolarHBondContact N-O 3.02Å; V118-L151 HydrophobicContact CB-CD1 4.2Å; V118-L151 HydrophobicContact CG1-CD1 4.01Å; V118-L151 WeakPolarHBondContact O-CA 3.43Å; V118-L152 PolarHBondContact O-N 3.3Å; V118-I195 HydrophobicContact CG1-CG1 4.25Å; V118-I195 HydrophobicContact CG2-CG1 4.41Å; V118-I195 HydrophobicContact CG2-CG2 4.49Å; V118-L209 HydrophobicContact CG1-CD1 4.4Å
119	E	98.4	Very high	94.4	Very high	51 Å²	51	41.4 Å²	41.4	24%	0.238	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	109.4	168.3	-57.1	-169.3	-160.3	0	0	107.8	L152 R193 E194	E119-L152 WeakPolarHBondContact CA-O 3.37Å; E119-L152 HydrophobicContact CG-CB 4.17Å; E119-L152 HydrophobicContact CG-CD2 4.17Å; E119-R193 CarbonylContact O-C 3.57Å; E119-R193 WeakPolarHBondContact O-CA 3.31Å; E119-E194 HydrophobicContact CB-CB 4.49Å; E119-E194 PolarHBondContact N-O 3.14Å; E119-E194 PolarHBondContact O-N 3.33Å
120	D	98.3	Very high	94.8	Very high	3 Å²	3	46.4 Å²	46.4	2%	0.016	24%	0.241	C	C	.	.			trans	-146.7	111	176.7	-169	-30	0	0	0	109.6	V118 Y122 I123 L152 T153 G208 L209	V118-D120 HydrophobicContact CG1-CB 4.39Å; D120-Y122 PolarHBondContact O-N 3.33Å; D120-Y122 VanDerWaalsContact O-N 3.1Å; D120-Y122 PolarHBondContact OD1-N 3.18Å; D120-I123 HydrophobicContact CB-CD1 4.06Å; D120-I123 HydrophobicContact CB-CG1 3.95Å; D120-L152 PolarHBondContact N-O 3.19Å; D120-T153 WeakPolarHBondContact O-CA 3.12Å; D120-T153 WeakPolarHBondContact O-CB 3.39Å; D120-T153 PolarHBondContact O-OG1 3.43Å; D120-T153 VanDerWaalsContact O-OG1 3.07Å; D120-G208 VanDerWaalsContact OD2-CA 3.28Å; D120-G208 WeakPolarHBondContact OD2-CA 3.43Å; D120-L209 PolarHBondContact OD2-N 3.27Å
121	P	97	Very high	95.4	Very high	3 Å²	3	44.6 Å²	44.6	2%	0.019	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-17.4	-178.5	-18.8	28.9	0	0	0	113.8	R124 S154 I190 D192	P121-R124 PolarHBondContact O-NE 2.97Å; P121-R124 VanDerWaalsContact O-NE 3.15Å; P121-S154 PolarHBondContact O-OG 2.82Å; P121-I190 HydrophobicContact CB-CD1 4.4Å; P121-I190 HydrophobicContact CB-CG1 4.18Å; P121-I190 HydrophobicContact CG-CD1 4.32Å; P121-I190 HydrophobicContact CG-CG1 4.06Å; P121-D192 WeakPolarHBondContact CD-O 3.01Å
122	Y	95.6	Very high	96.1	Very high	86 Å²	86	40 Å²	40	34%	0.337	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.6	27.2	-166.1	-56.3	-83.4	0	0	0	113	D120 R124 Q128 R193	D120-Y122 PolarHBondContact O-N 3.33Å; D120-Y122 VanDerWaalsContact O-N 3.1Å; D120-Y122 PolarHBondContact OD1-N 3.18Å; Y122-R124 VanDerWaalsContact C-N 3.29Å; Y122-R124 PolarHBondContact O-N 2.96Å; Y122-R124 VanDerWaalsContact O-N 3.12Å; Y122-Q128 WeakPolarHBondContact O-CB 3.15Å; Y122-Q128 WeakPolarHBondContact O-CG 3.32Å; Y122-Q128 PolarHBondContact O-NE2 3.49Å; Y122-Q128 PolarHBondContact O-OE1 3.45Å; Y122-R193 VanDerWaalsContact CZ-NH2 3.25Å; Y122-R193 PolarHBondContact OH-NH2 3.42Å
123	I	96.6	Very high	96.7	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.01	18%	0.182	C	C	.	.			trans	-87.6	69.6	171.3	-47.6	-55.7	0	0	0	109.8	D120 L129 F132 L151 T153 Q164 L168 L209	D120-I123 HydrophobicContact CB-CD1 4.06Å; D120-I123 HydrophobicContact CB-CG1 3.95Å; I123-L129 HydrophobicContact CG2-CD2 4.05Å; I123-F132 HydrophobicContact CD1-CB 4.41Å; I123-F132 HydrophobicContact CG2-CB 4.02Å; I123-F132 HydrophobicContact CG2-CG 4.42Å; I123-L151 HydrophobicContact CG1-CD1 4.17Å; I123-L151 HydrophobicContact CG2-CD2 4.43Å; I123-T153 PolarHBondContact N-OG1 3.09Å; I123-Q164 PolarHBondContact O-NE2 3.24Å; I123-L168 HydrophobicContact CG2-CD2 4.39Å; I123-L209 HydrophobicContact CD1-CB 4.45Å; I123-L209 HydrophobicContact CD1-CD1 4.27Å
124	R	93.8	Very high	97	Very high	63 Å²	63	41.5 Å²	41.5	24%	0.238	19%	0.191	C	C	.	.			trans	-119.4	-57.2	-171.9	-56.6	-178.5	-168.8	-178.5	0.6	112.8	P121 Y122 S154 D156	P121-R124 PolarHBondContact O-NE 2.97Å; P121-R124 VanDerWaalsContact O-NE 3.15Å; Y122-R124 VanDerWaalsContact C-N 3.29Å; Y122-R124 PolarHBondContact O-N 2.96Å; Y122-R124 VanDerWaalsContact O-N 3.12Å; R124-S154 VanDerWaalsContact CZ-OG 3.28Å; R124-S154 PolarHBondContact NE-OG 2.9Å; R124-S154 VanDerWaalsContact NE-OG 3.16Å; R124-S154 PolarHBondContact NH2-OG 2.97Å; R124-D156 HydrophobicContact CB-CB 4.3Å; R124-D156 HydrophobicContact CG-CB 4.44Å
125	H	94.3	Very high	97.2	Very high	90 Å²	90	39.4 Å²	39.4	42%	0.417	18%	0.176	S	C	.	.	S	Bend	trans	-83.3	161	-174.5	-57.2	-48.9	0	0	0	112.3	H127 Q128 L129 D156	H125-H127 VanDerWaalsContact C-N 3.29Å; H125-H127 PolarHBondContact O-N 3.45Å; H125-H127 VanDerWaalsContact O-N 3.12Å; H125-Q128 PolarHBondContact CD2-OE1 3.21Å; H125-Q128 WeakPolarHBondContact O-CA 3.37Å; H125-Q128 WeakPolarHBondContact O-CB 3.29Å; H125-Q128 PolarHBondContact O-N 3.29Å; H125-L129 PolarHBondContact O-N 3.28Å; H125-D156 IonicContact CE1-OD2 3.07Å; H125-D156 IonicContact ND1-OD2 3.81Å
126	T	95.2	Very high	97.2	Very high	66 Å²	66	37 Å²	37	41%	0.405	17%	0.165	S	C	.	.	H	α-helix	trans	-49.5	-43.4	-177.4	-51	0	0	0	0	114.2	Q128 L129 Y130 Q163	T126-Q128 VanDerWaalsContact C-N 3.33Å; T126-Q128 PolarHBondContact O-N 2.95Å; T126-L129 PolarHBondContact O-N 3.32Å; T126-Y130 HydrophobicContact CG2-CD2 3.79Å; T126-Y130 HydrophobicContact CG2-CE2 3.56Å; T126-Y130 WeakPolarHBondContact O-CD2 3.46Å; T126-Y130 PolarHBondContact O-N 2.69Å; T126-Q163 PolarHBondContact OG1-NE2 2.6Å
127	H	96.1	Very high	97.2	Very high	95 Å²	95	42 Å²	42	44%	0.44	19%	0.188	S	C	.	.	H	α-helix	trans	-69.1	-32.2	179.9	63.4	-81.3	0	0	0	112.7	H125 Y130 N131 D210	H125-H127 VanDerWaalsContact C-N 3.29Å; H125-H127 PolarHBondContact O-N 3.45Å; H125-H127 VanDerWaalsContact O-N 3.12Å; H127-Y130 PolarHBondContact O-N 2.87Å; H127-N131 VanDerWaalsContact O-CG 3.29Å; H127-N131 PolarHBondContact O-N 3.32Å; H127-N131 PolarHBondContact O-ND2 3.06Å; H127-D210 IonicContact CD2-OD1 2.75Å; H127-D210 PolarHBondContact CD2-OD1 3.39Å; H127-D210 IonicContact CD2-OD2 3.9Å; H127-D210 IonicContact NE2-OD1 3.68Å; H127-D210 IonicContact NE2-OD2 2.61Å; H127-D210 PolarHBondContact NE2-OD2 3.25Å
128	Q	97.5	Very high	97	Very high	12 Å²	12	40 Å²	40	6%	0.056	18%	0.181	C	C	.	.	H	α-helix	trans	-73.4	-38.1	176.1	-65	160.2	-20.6	0	0	111.2	Y122 H125 T126 Y130 N131 F132 D210	Y122-Q128 WeakPolarHBondContact O-CB 3.15Å; Y122-Q128 WeakPolarHBondContact O-CG 3.32Å; Y122-Q128 PolarHBondContact O-NE2 3.49Å; Y122-Q128 PolarHBondContact O-OE1 3.45Å; H125-Q128 PolarHBondContact CD2-OE1 3.21Å; H125-Q128 WeakPolarHBondContact O-CA 3.37Å; H125-Q128 WeakPolarHBondContact O-CB 3.29Å; H125-Q128 PolarHBondContact O-N 3.29Å; T126-Q128 VanDerWaalsContact C-N 3.33Å; T126-Q128 PolarHBondContact O-N 2.95Å; Q128-Y130 VanDerWaalsContact C-N 3.33Å; Q128-N131 VanDerWaalsContact O-CB 3.3Å; Q128-N131 WeakPolarHBondContact O-CB 3.34Å; Q128-N131 PolarHBondContact O-N 2.59Å; Q128-F132 PolarHBondContact O-N 2.99Å; Q128-D210 HydrophobicContact CG-CB 4.25Å; Q128-D210 PolarHBondContact NE2-OD2 3.34Å
129	L	97.9	Very high	96.8	Very high	20 Å²	20	40 Å²	40	11%	0.105	18%	0.181	C	C	.	.	H	α-helix	trans	-61.4	-42.9	170.5	-68.4	162	0	0	0	111.1	I123 H125 T126 N131 F132 L133 A167 L168	I123-L129 HydrophobicContact CG2-CD2 4.05Å; H125-L129 PolarHBondContact O-N 3.28Å; T126-L129 PolarHBondContact O-N 3.32Å; L129-N131 VanDerWaalsContact C-N 3.34Å; L129-N131 PolarHBondContact O-N 3.48Å; L129-F132 PolarHBondContact O-N 3.47Å; L129-L133 PolarHBondContact O-N 3.48Å; L129-A167 HydrophobicContact CD1-CB 3.62Å; L129-A167 HydrophobicContact CD2-CB 4.12Å; L129-A167 HydrophobicContact CG-CB 4.39Å; L129-L168 HydrophobicContact CD2-CD2 3.74Å; L129-L168 HydrophobicContact CD2-CG 3.79Å
130	Y	98.3	Very high	96.5	Very high	130 Å²	130	40.4 Å²	40.4	51%	0.51	19%	0.185	S	C	.	.	H	α-helix	trans	-67.3	-32.2	174	-81.8	-56.2	0	0	0	113.6	T126 H127 Q128 L133 R134	T126-Y130 HydrophobicContact CG2-CD2 3.79Å; T126-Y130 HydrophobicContact CG2-CE2 3.56Å; T126-Y130 WeakPolarHBondContact O-CD2 3.46Å; T126-Y130 PolarHBondContact O-N 2.69Å; H127-Y130 PolarHBondContact O-N 2.87Å; Q128-Y130 VanDerWaalsContact C-N 3.33Å; Y130-L133 HydrophobicContact CD1-CD2 3.93Å; Y130-L133 HydrophobicContact CE1-CD2 4.23Å; Y130-R134 VanDerWaalsContact O-CZ 3.24Å; Y130-R134 PolarHBondContact O-N 3.44Å; Y130-R134 PolarHBondContact O-NH1 2.76Å; Y130-R134 PolarHBondContact O-NH2 2.71Å
131	N	98.5	Very high	96.1	Very high	4 Å²	4	47.3 Å²	47.3	2%	0.021	21%	0.214	C	C	.	.	H	α-helix	trans	-60.9	-50.1	170.6	-80.8	-17.8	0	0	0	109.7	Y101 H127 Q128 L129 L133 R134 F135 L209 D210	Y101-N131 HydrophobicContact CE2-CB 4.45Å; Y101-N131 WeakPolarHBondContact CE2-O 3.38Å; Y101-N131 WeakPolarHBondContact OH-CB 3.49Å; Y101-N131 VanDerWaalsContact OH-CG 3.26Å; Y101-N131 PolarHBondContact OH-OD1 2.87Å; H127-N131 VanDerWaalsContact O-CG 3.29Å; H127-N131 PolarHBondContact O-N 3.32Å; H127-N131 PolarHBondContact O-ND2 3.06Å; Q128-N131 VanDerWaalsContact O-CB 3.3Å; Q128-N131 WeakPolarHBondContact O-CB 3.34Å; Q128-N131 PolarHBondContact O-N 2.59Å; L129-N131 VanDerWaalsContact C-N 3.34Å; L129-N131 PolarHBondContact O-N 3.48Å; N131-L133 PolarHBondContact O-N 3.47Å; N131-R134 PolarHBondContact O-N 3.4Å; N131-R134 PolarHBondContact OD1-NH2 3.1Å; N131-F135 PolarHBondContact O-N 3.29Å; N131-L209 HydrophobicContact CB-CB 4.43Å; N131-L209 PolarHBondContact ND2-O 3.06Å; N131-D210 PolarHBondContact ND2-OD1 3.47Å
132	F	98.6	Very high	95.4	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-63	-40.6	176.9	-174	-116.7	0	0	0	112.9	V118 I123 Q128 L129 R134 F135 C136 I149 L151 L168 L171 L182 L209	V118-F132 HydrophobicContact CB-CE2 4.39Å; V118-F132 HydrophobicContact CG1-CE2 4.32Å; V118-F132 HydrophobicContact CG2-CE2 4.26Å; I123-F132 HydrophobicContact CD1-CB 4.41Å; I123-F132 HydrophobicContact CG2-CB 4.02Å; I123-F132 HydrophobicContact CG2-CG 4.42Å; Q128-F132 PolarHBondContact O-N 2.99Å; L129-F132 PolarHBondContact O-N 3.47Å; F132-R134 PolarHBondContact O-N 2.66Å; F132-F135 HydrophobicContact CD2-CD1 4.35Å; F132-F135 HydrophobicContact CE2-CD1 4.26Å; F132-F135 WeakPolarHBondContact O-CB 3.34Å; F132-F135 PolarHBondContact O-N 3.21Å; F132-C136 PolarHBondContact O-N 3.05Å; F132-C136 PolarHBondContact O-SG 3.47Å; F132-C136 VanDerWaalsContact O-SG 3.36Å; F132-I149 HydrophobicContact CZ-CG2 4.1Å; F132-L151 HydrophobicContact CD1-CD2 4.12Å; F132-L151 HydrophobicContact CD2-CD1 4.47Å; F132-L151 HydrophobicContact CE1-CD2 3.76Å; F132-L151 HydrophobicContact CE2-CD1 4.09Å; F132-L151 HydrophobicContact CE2-CD2 4.47Å; F132-L151 HydrophobicContact CZ-CB 4.02Å; F132-L151 HydrophobicContact CZ-CD1 4.26Å; F132-L151 HydrophobicContact CZ-CD2 3.95Å; F132-L151 HydrophobicContact CZ-CG 4.3Å; F132-L168 HydrophobicContact CD1-CD2 4.26Å; F132-L171 HydrophobicContact CD1-CD2 3.39Å; F132-L171 HydrophobicContact CE1-CD2 3.57Å; F132-L182 HydrophobicContact CE1-CD1 4.02Å; F132-L182 HydrophobicContact CE1-CD2 4.13Å; F132-L182 HydrophobicContact CZ-CD1 3.89Å; F132-L209 HydrophobicContact CB-CD1 4.46Å; F132-L209 HydrophobicContact CD2-CD1 3.9Å
133	L	98.5	Very high	94.5	Very high	50 Å²	50	45.2 Å²	45.2	26%	0.262	21%	0.213	S	C	.	.	H	α-helix	trans	-55.7	-50.7	172.9	172.3	65.2	0	0	0	111.5	L129 Y130 N131 F135 C136 E137 L171	L129-L133 PolarHBondContact O-N 3.48Å; Y130-L133 HydrophobicContact CD1-CD2 3.93Å; Y130-L133 HydrophobicContact CE1-CD2 4.23Å; N131-L133 PolarHBondContact O-N 3.47Å; L133-F135 VanDerWaalsContact C-N 3.26Å; L133-F135 PolarHBondContact O-N 3.08Å; L133-C136 WeakPolarHBondContact O-CA 3.35Å; L133-C136 WeakPolarHBondContact O-CB 3.47Å; L133-C136 PolarHBondContact O-N 3.04Å; L133-E137 HydrophobicContact CD1-CG 4.24Å; L133-E137 HydrophobicContact CG-CG 4.41Å; L133-E137 WeakPolarHBondContact O-CG 3.5Å; L133-E137 PolarHBondContact O-N 2.97Å; L133-L171 HydrophobicContact CD1-CD1 3.57Å
134	R	98.1	Very high	93.4	Very high	49 Å²	49	49.3 Å²	49.3	19%	0.185	26%	0.255	C	S	.	.	H	α-helix	trans	-61	-36	178.7	-81.5	-173.7	-68.1	-76.5	-4.3	112.5	Y101 Y130 N131 F132 E137 M138 Y226	Y101-R134 HydrophobicContact CD2-CB 4.03Å; Y101-R134 HydrophobicContact CE2-CB 4.05Å; Y130-R134 VanDerWaalsContact O-CZ 3.24Å; Y130-R134 PolarHBondContact O-N 3.44Å; Y130-R134 PolarHBondContact O-NH1 2.76Å; Y130-R134 PolarHBondContact O-NH2 2.71Å; N131-R134 PolarHBondContact O-N 3.4Å; N131-R134 PolarHBondContact OD1-NH2 3.1Å; F132-R134 PolarHBondContact O-N 2.66Å; R134-E137 PolarHBondContact O-N 3.37Å; R134-M138 WeakPolarHBondContact O-CB 3.31Å; R134-M138 PolarHBondContact O-N 3Å; R134-Y226 VanDerWaalsContact CZ-OH 3.3Å; R134-Y226 PolarHBondContact NH2-OH 3.17Å
135	F	97.9	Very high	93	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-61.8	-46.2	173.3	176.2	-100.4	0	0	0	110.8	Y101 F105 I116 V118 N131 F132 L133 M138 L139 I195 F197 L209	Y101-F135 HydrophobicContact CD2-CB 3.99Å; Y101-F135 HydrophobicContact CE2-CB 4.19Å; F105-F135 HydrophobicContact CD1-CE2 4.36Å; F105-F135 AromaticContact CD2-CD2 3.96Å; F105-F135 HydrophobicContact CD2-CD2 3.96Å; F105-F135 AromaticContact CD2-CE2 3.8Å; F105-F135 HydrophobicContact CD2-CE2 3.8Å; F105-F135 HydrophobicContact CE1-CE2 4.28Å; F105-F135 AromaticContact CE2-CD2 3.75Å; F105-F135 HydrophobicContact CE2-CD2 3.75Å; F105-F135 AromaticContact CE2-CE2 3.72Å; F105-F135 HydrophobicContact CE2-CE2 3.72Å; F105-F135 HydrophobicContact CG-CE2 4.13Å; F105-F135 HydrophobicContact CZ-CD2 4.33Å; F105-F135 AromaticContact CZ-CE2 3.97Å; F105-F135 HydrophobicContact CZ-CE2 3.97Å; I116-F135 HydrophobicContact CG2-CE1 4.41Å; I116-F135 HydrophobicContact CG2-CZ 4.37Å; V118-F135 HydrophobicContact CG2-CD1 4.47Å; V118-F135 HydrophobicContact CG2-CE1 3.68Å; V118-F135 HydrophobicContact CG2-CZ 4.26Å; N131-F135 PolarHBondContact O-N 3.29Å; F132-F135 HydrophobicContact CD2-CD1 4.35Å; F132-F135 HydrophobicContact CE2-CD1 4.26Å; F132-F135 WeakPolarHBondContact O-CB 3.34Å; F132-F135 PolarHBondContact O-N 3.21Å; L133-F135 VanDerWaalsContact C-N 3.26Å; L133-F135 PolarHBondContact O-N 3.08Å; F135-M138 HydrophobicContact CD2-CE 4.25Å; F135-M138 HydrophobicContact CE2-CE 4.22Å; F135-M138 WeakPolarHBondContact O-CE 3.35Å; F135-M138 PolarHBondContact O-N 3.5Å; F135-L139 HydrophobicContact CD1-CD1 4.09Å; F135-L139 HydrophobicContact CE1-CD1 3.59Å; F135-L139 HydrophobicContact CE1-CG 4.29Å; F135-L139 HydrophobicContact CZ-CD1 4.04Å; F135-L139 HydrophobicContact CZ-CD2 4.46Å; F135-L139 HydrophobicContact CZ-CG 4.38Å; F135-L139 WeakPolarHBondContact O-CG 2.9Å; F135-L139 PolarHBondContact O-N 2.83Å; F135-I195 HydrophobicContact CE2-CD1 4.24Å; F135-I195 HydrophobicContact CZ-CD1 4.38Å; F135-I195 HydrophobicContact CZ-CG2 4.05Å; F135-F197 HydrophobicContact CZ-CE1 4.44Å; F135-L209 HydrophobicContact CB-CD1 4.3Å; F135-L209 HydrophobicContact CD2-CD2 4.17Å; F135-L209 HydrophobicContact CG-CD1 4.39Å; F135-L209 HydrophobicContact CG-CD2 4.4Å
136	C	97.3	Very high	92.9	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-62.3	-43.4	174.8	-64.6	0	0	0	0	113	F132 L133 M138 L139 L140 L175	F132-C136 PolarHBondContact O-N 3.05Å; F132-C136 PolarHBondContact O-SG 3.47Å; F132-C136 VanDerWaalsContact O-SG 3.36Å; L133-C136 WeakPolarHBondContact O-CA 3.35Å; L133-C136 WeakPolarHBondContact O-CB 3.47Å; L133-C136 PolarHBondContact O-N 3.04Å; C136-M138 VanDerWaalsContact C-N 3.3Å; C136-M138 PolarHBondContact O-N 3.02Å; C136-L139 WeakPolarHBondContact O-CB 3.46Å; C136-L139 PolarHBondContact O-N 3.39Å; C136-L139 VanDerWaalsContact O-N 3.11Å; C136-L140 WeakPolarHBondContact O-CG 3.44Å; C136-L140 PolarHBondContact O-N 3.31Å; C136-L175 HydrophobicContact CB-CD1 4.4Å; C136-L175 HydrophobicContact CB-CD2 4.15Å
137	E	96.3	Very high	92.9	Very high	104 Å²	104	49.2 Å²	49.2	49%	0.486	26%	0.257	S	S	.	.	H	α-helix	trans	-59	-42.2	175.9	-70.8	174.3	150	0	0	111.6	L133 R134 L139 L140 K141	L133-E137 HydrophobicContact CD1-CG 4.24Å; L133-E137 HydrophobicContact CG-CG 4.41Å; L133-E137 WeakPolarHBondContact O-CG 3.5Å; L133-E137 PolarHBondContact O-N 2.97Å; R134-E137 PolarHBondContact O-N 3.37Å; E137-L139 VanDerWaalsContact C-N 3.32Å; E137-L139 PolarHBondContact O-N 2.98Å; E137-L140 PolarHBondContact O-N 3.16Å; E137-K141 WeakPolarHBondContact O-CB 3.44Å; E137-K141 PolarHBondContact O-N 3.42Å
138	M	95	Very high	93	Very high	11 Å²	11	48.1 Å²	48.1	5%	0.054	25%	0.251	C	S	.	.	H	α-helix	trans	-62.9	-38.7	175.4	176.8	-121.1	47.3	0	0	111.8	Y101 E102 F105 I109 R134 F135 C136 K141 S142	Y101-M138 VanDerWaalsContact O-SD 3.39Å; E102-M138 HydrophobicContact CB-CG 3.98Å; E102-M138 HydrophobicContact CG-CG 4.46Å; F105-M138 HydrophobicContact CB-CE 4.37Å; F105-M138 HydrophobicContact CB-SD 3.86Å; F105-M138 HydrophobicContact CD2-SD 4.29Å; I109-M138 HydrophobicContact CD1-CE 3.51Å; I109-M138 HydrophobicContact CD1-SD 3.82Å; R134-M138 WeakPolarHBondContact O-CB 3.31Å; R134-M138 PolarHBondContact O-N 3Å; F135-M138 HydrophobicContact CD2-CE 4.25Å; F135-M138 HydrophobicContact CE2-CE 4.22Å; F135-M138 WeakPolarHBondContact O-CE 3.35Å; F135-M138 PolarHBondContact O-N 3.5Å; C136-M138 VanDerWaalsContact C-N 3.3Å; C136-M138 PolarHBondContact O-N 3.02Å; M138-K141 PolarHBondContact O-N 2.92Å; M138-S142 WeakPolarHBondContact O-CB 3.36Å; M138-S142 PolarHBondContact O-N 2.87Å; M138-S142 PolarHBondContact O-OG 3.22Å
139	L	94.2	Very high	93	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-63	-45.9	176.1	-71	173.4	0	0	0	111	I109 L113 I116 F135 C136 E137 K141 S142 C143 I149	I109-L139 HydrophobicContact CD1-CD2 4.07Å; L113-L139 HydrophobicContact CD2-CD2 4.29Å; I116-L139 HydrophobicContact CD1-CD1 4.29Å; I116-L139 HydrophobicContact CD1-CD2 4.47Å; I116-L139 HydrophobicContact CG1-CD1 4.35Å; I116-L139 HydrophobicContact CG1-CD2 4.4Å; F135-L139 HydrophobicContact CD1-CD1 4.09Å; F135-L139 HydrophobicContact CE1-CD1 3.59Å; F135-L139 HydrophobicContact CE1-CG 4.29Å; F135-L139 HydrophobicContact CZ-CD1 4.04Å; F135-L139 HydrophobicContact CZ-CD2 4.46Å; F135-L139 HydrophobicContact CZ-CG 4.38Å; F135-L139 WeakPolarHBondContact O-CG 2.9Å; F135-L139 PolarHBondContact O-N 2.83Å; C136-L139 WeakPolarHBondContact O-CB 3.46Å; C136-L139 PolarHBondContact O-N 3.39Å; C136-L139 VanDerWaalsContact O-N 3.11Å; E137-L139 VanDerWaalsContact C-N 3.32Å; E137-L139 PolarHBondContact O-N 2.98Å; L139-K141 VanDerWaalsContact C-N 3.34Å; L139-K141 PolarHBondContact O-N 2.96Å; L139-S142 PolarHBondContact O-N 3.44Å; L139-C143 WeakPolarHBondContact O-CA 3.3Å; L139-C143 PolarHBondContact O-N 2.95Å; L139-C143 VanDerWaalsContact O-O 3.13Å; L139-I149 HydrophobicContact CD1-CD1 3.85Å; L139-I149 HydrophobicContact CD1-CG1 4.35Å
140	L	92.1	Very high	93.1	Very high	61 Å²	61	48 Å²	48	32%	0.319	25%	0.25	S	C	.	.	H	α-helix	trans	-62.4	-39.3	177.6	-67	177.7	0	0	0	112.5	C136 E137 L175 H178 V180	C136-L140 WeakPolarHBondContact O-CG 3.44Å; C136-L140 PolarHBondContact O-N 3.31Å; E137-L140 PolarHBondContact O-N 3.16Å; L140-L175 HydrophobicContact CD1-CD2 4.04Å; L140-H178 HydrophobicContact CD1-CB 4.4Å; L140-H178 HydrophobicContact CD2-CB 4.43Å; L140-V180 HydrophobicContact CD2-CG2 3.58Å
141	K	90.1	Very high	93.1	Very high	147 Å²	147	41.9 Å²	41.9	64%	0.639	23%	0.226	S	C	*	.	H	α-helix	trans	-70.3	-41.2	177.6	-174.5	-171.2	176.2	-159.2	0	112.2	E102 E137 M138 L139	E102-K141 IonicContact OE1-NZ 3.52Å; E102-K141 PolarHBondContact OE1-NZ 3.03Å; E102-K141 IonicContact OE2-NZ 2.7Å; E102-K141 PolarHBondContact OE2-NZ 2.85Å; E137-K141 WeakPolarHBondContact O-CB 3.44Å; E137-K141 PolarHBondContact O-N 3.42Å; M138-K141 PolarHBondContact O-N 2.92Å; L139-K141 VanDerWaalsContact C-N 3.34Å; L139-K141 PolarHBondContact O-N 2.96Å
142	S	82.1	Confident	93.1	Very high	42 Å²	42	43.5 Å²	43.5	29%	0.294	23%	0.234	S	C	.	.	H	α-helix	trans	-89.8	-23.5	-170.4	-51.2	0	0	0	0	113.1	M138 L139	M138-S142 WeakPolarHBondContact O-CB 3.36Å; M138-S142 PolarHBondContact O-N 2.87Å; M138-S142 PolarHBondContact O-OG 3.22Å; L139-S142 PolarHBondContact O-N 3.44Å
143	C	76.1	Confident	93	Very high	4 Å²	4	43.5 Å²	43.5	3%	0.027	23%	0.234	C	C	.	.			trans	-140.7	112.5	-179.4	-173.9	0	0	0	0	111.6	I109 L113 L139 K145 V146	I109-C143 HydrophobicContact CG2-CB 3.79Å; L113-C143 PolarHBondContact O-SG 3.07Å; L139-C143 WeakPolarHBondContact O-CA 3.3Å; L139-C143 PolarHBondContact O-N 2.95Å; L139-C143 VanDerWaalsContact O-O 3.13Å; C143-K145 PolarHBondContact O-N 2.55Å; C143-V146 HydrophobicContact CB-CG2 3.83Å
144	G	73.4	Confident	92.8	Very high	87 Å²	87	41.4 Å²	41.4	90%	0.897	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.6	7.7	176.8	0	0	0	0	0	115.3
145	K	86.2	Confident	92.5	Very high	129 Å²	129	43.4 Å²	43.4	56%	0.561	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-121.2	0	-176.3	-63.5	-162.9	-168.1	168.5	0	114.7	S111 L113 C143 T147	S111-K145 VanDerWaalsContact O-CD 3.26Å; S111-K145 WeakPolarHBondContact O-CD 3.13Å; S111-K145 WeakPolarHBondContact O-CE 3.3Å; L113-K145 CarbonylContact O-C 3.59Å; C143-K145 PolarHBondContact O-N 2.55Å; K145-T147 WeakPolarHBondContact O-CG2 3.12Å; K145-T147 PolarHBondContact O-N 2.79Å; K145-T147 VanDerWaalsContact O-N 3.15Å
146	V	92.3	Very high	91.7	Very high	9 Å²	9	44 Å²	44	6%	0.055	24%	0.239	C	C	.	.			trans	-62.6	120.4	173.6	172.6	0	0	0	0	108	L113 I116 C143 I149 V180	L113-V146 HydrophobicContact CD2-CG2 4.1Å; L113-V146 HydrophobicContact CG-CG2 4.27Å; L113-V146 PolarHBondContact O-N 3Å; I116-V146 HydrophobicContact CD1-CB 4.14Å; I116-V146 HydrophobicContact CD1-CG1 3.44Å; I116-V146 VanDerWaalsContact CD1-CG1 3.44Å; I116-V146 HydrophobicContact CD1-CG2 3.6Å; C143-V146 HydrophobicContact CB-CG2 3.83Å; V146-I149 HydrophobicContact CG1-CD1 4.43Å; V146-I149 HydrophobicContact CG1-CG1 4.09Å; V146-V180 HydrophobicContact CG1-CG1 4.32Å; V146-V180 WeakPolarHBondContact O-CG2 3.41Å
147	T	95.1	Very high	90.6	Very high	79 Å²	79	51.5 Å²	51.5	49%	0.485	27%	0.274	S	S	.	.			trans	-112.7	-19.3	179.1	56.2	0	0	0	0	112.5	S114 K145 T181	S114-T147 PolarHBondContact O-N 2.99Å; S114-T147 PolarHBondContact O-OG1 2.88Å; K145-T147 WeakPolarHBondContact O-CG2 3.12Å; K145-T147 PolarHBondContact O-N 2.79Å; K145-T147 VanDerWaalsContact O-N 3.15Å; T147-T181 PolarHBondContact O-N 3.4Å
148	K	97.7	Very high	89.1	Confident	72 Å²	72	55.6 Å²	55.6	31%	0.313	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	133.5	-172.4	-167.7	164.6	169.2	-140	0	113.1	S114 E115 I116 H150 T181	S114-K148 PolarHBondContact O-N 3.45Å; E115-K148 WeakPolarHBondContact CA-O 3.49Å; E115-K148 HydrophobicContact CG-CB 4.11Å; E115-K148 HydrophobicContact CG-CG 4.39Å; E115-K148 VanDerWaalsContact OE1-CD 3.3Å; E115-K148 WeakPolarHBondContact OE1-CD 3.48Å; E115-K148 WeakPolarHBondContact OE1-CE 3.45Å; E115-K148 IonicContact OE1-NZ 2.92Å; E115-K148 PolarHBondContact OE1-NZ 2.61Å; I116-K148 PolarHBondContact N-O 3.11Å; I116-K148 VanDerWaalsContact N-O 3.08Å; K148-H150 WeakPolarHBondContact CE-CE1 3.34Å; K148-H150 WeakPolarHBondContact CE-NE2 3.1Å; K148-H150 PolarHBondContact NZ-CE1 3.39Å; K148-H150 VanDerWaalsContact NZ-CE1 3.25Å; K148-T181 CarbonylContact C-O 3.59Å; K148-T181 WeakPolarHBondContact CA-O 3.48Å
149	I	98.4	Very high	87.6	Confident	2 Å²	2	57 Å²	57	1%	0.01	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	126.6	177.6	-58.1	173.5	0	0	0	107.3	I116 F132 L139 V146 L175 V180 T181 L182 D183	I116-I149 CarbonylContact O-C 3.58Å; I116-I149 WeakPolarHBondContact O-CA 3.37Å; F132-I149 HydrophobicContact CZ-CG2 4.1Å; L139-I149 HydrophobicContact CD1-CD1 3.85Å; L139-I149 HydrophobicContact CD1-CG1 4.35Å; V146-I149 HydrophobicContact CG1-CD1 4.43Å; V146-I149 HydrophobicContact CG1-CG1 4.09Å; I149-L175 HydrophobicContact CD1-CD1 4.45Å; I149-V180 HydrophobicContact CD1-CG1 3.9Å; I149-V180 HydrophobicContact CG1-CG1 3.99Å; I149-T181 PolarHBondContact N-O 3.08Å; I149-L182 HydrophobicContact CB-CD1 4Å; I149-L182 HydrophobicContact CG2-CD1 3.83Å; I149-L182 WeakPolarHBondContact O-CA 3.4Å; I149-D183 PolarHBondContact O-N 2.84Å
150	H	98.6	Very high	86.3	Confident	27 Å²	27	61.4 Å²	61.4	13%	0.125	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	121.7	172.5	-56.3	-98	0	0	0	108.8	E115 I116 W117 V118 K148 D183	E115-H150 IonicContact OE1-CD2 3.75Å; E115-H150 IonicContact OE1-CE1 3.52Å; E115-H150 IonicContact OE1-NE2 2.68Å; E115-H150 PolarHBondContact OE1-NE2 3.48Å; I116-H150 PolarHBondContact O-CD2 2.83Å; I116-H150 PolarHBondContact O-N 3.3Å; W117-H150 CarbonylContact C-O 3.53Å; W117-H150 HydrophobicContact CB-CB 4.46Å; W117-H150 AromaticContact CD1-CD2 3.52Å; W117-H150 AromaticContact CD1-CG 3.6Å; W117-H150 AromaticContact CE2-CD2 3.59Å; W117-H150 AromaticContact CE2-NE2 3.8Å; W117-H150 HydrophobicContact CG-CB 4.15Å; W117-H150 AromaticContact CG-CD2 3.98Å; W117-H150 AromaticContact NE1-CD2 3.25Å; W117-H150 PolarHBondContact NE1-CD2 2.87Å; W117-H150 VanDerWaalsContact NE1-CD2 3.25Å; W117-H150 AromaticContact NE1-CE1 3.98Å; W117-H150 AromaticContact NE1-CG 3.65Å; W117-H150 AromaticContact NE1-NE2 3.51Å; V118-H150 PolarHBondContact N-O 3.02Å; K148-H150 WeakPolarHBondContact CE-CE1 3.34Å; K148-H150 WeakPolarHBondContact CE-NE2 3.1Å; K148-H150 PolarHBondContact NZ-CE1 3.39Å; K148-H150 VanDerWaalsContact NZ-CE1 3.25Å; H150-D183 CarbonylContact C-O 3.56Å; H150-D183 WeakPolarHBondContact CA-O 3.39Å; H150-D183 IonicContact ND1-OD2 2.94Å
151	L	98.6	Very high	85.2	Confident	2 Å²	2	60.9 Å²	60.9	1%	0.01	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	118	173.1	175.1	63.7	0	0	0	109.1	V118 I123 F132 T153 L168 L182 D183 V184 Q185	V118-L151 HydrophobicContact CB-CD1 4.2Å; V118-L151 HydrophobicContact CG1-CD1 4.01Å; V118-L151 WeakPolarHBondContact O-CA 3.43Å; I123-L151 HydrophobicContact CG1-CD1 4.17Å; I123-L151 HydrophobicContact CG2-CD2 4.43Å; F132-L151 HydrophobicContact CD1-CD2 4.12Å; F132-L151 HydrophobicContact CD2-CD1 4.47Å; F132-L151 HydrophobicContact CE1-CD2 3.76Å; F132-L151 HydrophobicContact CE2-CD1 4.09Å; F132-L151 HydrophobicContact CE2-CD2 4.47Å; F132-L151 HydrophobicContact CZ-CB 4.02Å; F132-L151 HydrophobicContact CZ-CD1 4.26Å; F132-L151 HydrophobicContact CZ-CD2 3.95Å; F132-L151 HydrophobicContact CZ-CG 4.3Å; L151-T153 HydrophobicContact CD2-CG2 4.38Å; L151-T153 HydrophobicContact CG-CG2 4.39Å; L151-L168 HydrophobicContact CD2-CD1 4.27Å; L151-L168 HydrophobicContact CD2-CD2 3.72Å; L151-L182 HydrophobicContact CB-CD1 4.23Å; L151-D183 PolarHBondContact N-O 3.36Å; L151-V184 HydrophobicContact CB-CG2 4.46Å; L151-V184 HydrophobicContact CD2-CG1 4.33Å; L151-V184 CarbonylContact O-C 3.53Å; L151-V184 WeakPolarHBondContact O-CA 3.42Å; L151-Q185 PolarHBondContact O-N 3.08Å
152	L	98.3	Very high	84.8	Confident	38 Å²	38	58.7 Å²	58.7	20%	0.199	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	111.6	166.1	-179.1	59.7	0	0	0	108.3	V118 E119 D120 Q185 I190	V118-L152 PolarHBondContact O-N 3.3Å; E119-L152 WeakPolarHBondContact CA-O 3.37Å; E119-L152 HydrophobicContact CG-CB 4.17Å; E119-L152 HydrophobicContact CG-CD2 4.17Å; D120-L152 PolarHBondContact N-O 3.19Å; L152-Q185 WeakPolarHBondContact CA-O 3.49Å; L152-Q185 HydrophobicContact CD1-CB 3.93Å; L152-I190 HydrophobicContact CD2-CG2 3.83Å; L152-I190 HydrophobicContact CG-CD1 3.93Å; L152-I190 HydrophobicContact CG-CG2 4.14Å
153	T	97.6	Very high	85.1	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	172.7	179.2	-173.8	0	0	0	0	110.4	D120 I123 L151 L168 Q185 F186 S187 I190	D120-T153 WeakPolarHBondContact O-CA 3.12Å; D120-T153 WeakPolarHBondContact O-CB 3.39Å; D120-T153 PolarHBondContact O-OG1 3.43Å; D120-T153 VanDerWaalsContact O-OG1 3.07Å; I123-T153 PolarHBondContact N-OG1 3.09Å; L151-T153 HydrophobicContact CD2-CG2 4.38Å; L151-T153 HydrophobicContact CG-CG2 4.39Å; T153-L168 HydrophobicContact CG2-CD1 4.4Å; T153-Q185 PolarHBondContact N-O 3.41Å; T153-F186 HydrophobicContact CG2-CD1 3.73Å; T153-F186 HydrophobicContact CG2-CE1 3.57Å; T153-F186 HydrophobicContact CG2-CZ 4.44Å; T153-F186 CarbonylContact O-C 3.6Å; T153-F186 VanDerWaalsContact O-CA 3.26Å; T153-F186 WeakPolarHBondContact O-CA 3.42Å; T153-S187 PolarHBondContact O-N 3.38Å; T153-I190 VanDerWaalsContact C-CD1 3.45Å
154	S	94.5	Very high	85.9	Confident	6 Å²	6	60.8 Å²	60.8	4%	0.042	34%	0.335	C	S	.	.			trans	-104.3	150.9	173.1	67.8	0	0	0	0	110.9	P121 R124 Q164 S187	P121-S154 PolarHBondContact O-OG 2.82Å; R124-S154 VanDerWaalsContact CZ-OG 3.28Å; R124-S154 PolarHBondContact NE-OG 2.9Å; R124-S154 VanDerWaalsContact NE-OG 3.16Å; R124-S154 PolarHBondContact NH2-OG 2.97Å; S154-Q164 PolarHBondContact O-NE2 3.38Å; S154-S187 VanDerWaalsContact CA-O 3.26Å; S154-S187 WeakPolarHBondContact CA-O 3.11Å; S154-S187 WeakPolarHBondContact CB-O 3.26Å
155	Q	90.3	Very high	86.8	Confident	91 Å²	91	58.9 Å²	58.9	43%	0.425	31%	0.308	S	S	.	.			trans	-77.6	145.4	-177.4	-168.4	161.9	14.1	0	0	110.8	E157 N161 F186	Q155-E157 PolarHBondContact O-N 3.29Å; Q155-N161 WeakPolarHBondContact CG-OD1 3.49Å; Q155-F186 HydrophobicContact CB-CD1 4.21Å
156	D	82	Confident	87.3	Confident	13 Å²	13	56.1 Å²	56.1	7%	0.07	31%	0.305	C	S	.	.			trans	-78.3	86.3	177.8	-167.2	0.5	0	0	0	111.7	R124 H125 Q158 G159 N161	R124-D156 HydrophobicContact CB-CB 4.3Å; R124-D156 HydrophobicContact CG-CB 4.44Å; H125-D156 IonicContact CE1-OD2 3.07Å; H125-D156 IonicContact ND1-OD2 3.81Å; D156-Q158 PolarHBondContact O-N 2.78Å; D156-Q158 VanDerWaalsContact O-N 3.14Å; D156-Q158 PolarHBondContact OD1-N 3.4Å; D156-G159 PolarHBondContact OD1-N 2.83Å; D156-G159 WeakPolarHBondContact OD2-CA 3.5Å; D156-N161 VanDerWaalsContact C-OD1 3.23Å; D156-N161 WeakPolarHBondContact CA-OD1 3.3Å; D156-N161 PolarHBondContact N-OD1 2.75Å; D156-N161 VanDerWaalsContact N-OD1 3.08Å; D156-N161 PolarHBondContact O-ND2 3.44Å; D156-N161 PolarHBondContact O-OD1 2.86Å
157	E	74.1	Confident	87.5	Confident	158 Å²	158	57 Å²	57	74%	0.738	31%	0.313	S	S	*	.	S	Bend	trans	-63.4	-18.4	179.5	-64.2	-173.1	167.6	0	0	114.1	Q155	Q155-E157 PolarHBondContact O-N 3.29Å
158	Q	65.4	Low	87.6	Confident	190 Å²	190	53.5 Å²	53.5	89%	0.888	29%	0.291	S	S	*	.	S	Bend	trans	-109.2	-15.5	-172.7	-64.3	176.6	6.9	0	0	113.4	D156	D156-Q158 PolarHBondContact O-N 2.78Å; D156-Q158 VanDerWaalsContact O-N 3.14Å; D156-Q158 PolarHBondContact OD1-N 3.4Å
159	G	63.3	Low	87.6	Confident	40 Å²	40	52.8 Å²	52.8	41%	0.412	30%	0.295	S	S	.	.	S	Bend	trans	-115.2	-167.5	-176.1	0	0	0	0	0	114.4	D156 N161	D156-G159 PolarHBondContact OD1-N 2.83Å; D156-G159 WeakPolarHBondContact OD2-CA 3.5Å; G159-N161 PolarHBondContact O-N 3.26Å
160	D	65.3	Low	87.5	Confident	93 Å²	93	59.6 Å²	59.6	50%	0.497	33%	0.327	S	S	.	.			trans	-77	87.6	176.5	-171.8	-4.3	0	0	0	109.8	T162 Q163	D160-T162 PolarHBondContact O-N 3.48Å; D160-T162 WeakPolarHBondContact OD1-CB 3.28Å; D160-T162 PolarHBondContact OD1-N 2.98Å; D160-T162 VanDerWaalsContact OD1-N 3.12Å; D160-T162 PolarHBondContact OD1-OG1 2.64Å; D160-Q163 HydrophobicContact CB-CB 4.2Å; D160-Q163 VanDerWaalsContact O-CB 3.28Å; D160-Q163 WeakPolarHBondContact O-CB 3.16Å; D160-Q163 PolarHBondContact O-N 2.98Å
161	N	70.1	Confident	87.5	Confident	49 Å²	49	59.2 Å²	59.2	26%	0.262	33%	0.326	S	S	.	.	H	α-helix	trans	-50.3	-28.5	174.9	-85.5	-41.8	0	0	0	113.7	Q155 D156 G159 Q163 S165	Q155-N161 WeakPolarHBondContact CG-OD1 3.49Å; D156-N161 VanDerWaalsContact C-OD1 3.23Å; D156-N161 WeakPolarHBondContact CA-OD1 3.3Å; D156-N161 PolarHBondContact N-OD1 2.75Å; D156-N161 VanDerWaalsContact N-OD1 3.08Å; D156-N161 PolarHBondContact O-ND2 3.44Å; D156-N161 PolarHBondContact O-OD1 2.86Å; G159-N161 PolarHBondContact O-N 3.26Å; N161-Q163 VanDerWaalsContact C-N 3.29Å; N161-Q163 PolarHBondContact O-N 3.18Å; N161-S165 WeakPolarHBondContact O-CB 3.1Å; N161-S165 PolarHBondContact O-N 2.85Å; N161-S165 VanDerWaalsContact O-N 3.13Å; N161-S165 PolarHBondContact O-OG 2.85Å
162	T	80.9	Confident	87.5	Confident	102 Å²	102	65.4 Å²	65.4	63%	0.626	35%	0.349	S	S	*	.	H	α-helix	trans	-66.5	-33.3	176.7	-7.9	0	0	0	0	111.3	D160 S166	D160-T162 PolarHBondContact O-N 3.48Å; D160-T162 WeakPolarHBondContact OD1-CB 3.28Å; D160-T162 PolarHBondContact OD1-N 2.98Å; D160-T162 VanDerWaalsContact OD1-N 3.12Å; D160-T162 PolarHBondContact OD1-OG1 2.64Å; T162-S166 WeakPolarHBondContact O-CB 3.27Å; T162-S166 PolarHBondContact O-N 3.31Å; T162-S166 PolarHBondContact O-OG 3.07Å
163	Q	88.3	Confident	87.5	Confident	87 Å²	87	69 Å²	69	41%	0.407	37%	0.368	S	S	.	.	H	α-helix	trans	-68.3	-48.1	176.7	-169.9	-172.5	-0.4	0	0	112	T126 D160 N161 S165 S166 A167	T126-Q163 PolarHBondContact OG1-NE2 2.6Å; D160-Q163 HydrophobicContact CB-CB 4.2Å; D160-Q163 VanDerWaalsContact O-CB 3.28Å; D160-Q163 WeakPolarHBondContact O-CB 3.16Å; D160-Q163 PolarHBondContact O-N 2.98Å; N161-Q163 VanDerWaalsContact C-N 3.29Å; N161-Q163 PolarHBondContact O-N 3.18Å; Q163-S165 PolarHBondContact O-N 3.18Å; Q163-S166 PolarHBondContact O-OG 2.78Å; Q163-S166 VanDerWaalsContact O-OG 3.07Å; Q163-A167 VanDerWaalsContact O-CB 3.31Å; Q163-A167 WeakPolarHBondContact O-CB 3.37Å; Q163-A167 PolarHBondContact O-N 2.82Å
164	Q	94.1	Very high	87.5	Confident	2 Å²	2	72.1 Å²	72.1	1%	0.009	39%	0.391	C	S	.	.	H	α-helix	trans	-60.1	-49.3	178.9	-177.4	-171.5	24.5	0	0	110.3	I123 S154 A167 L168 F186	I123-Q164 PolarHBondContact O-NE2 3.24Å; S154-Q164 PolarHBondContact O-NE2 3.38Å; Q164-A167 PolarHBondContact O-N 3.21Å; Q164-L168 HydrophobicContact CG-CD1 4.01Å; Q164-L168 WeakPolarHBondContact O-CB 3.23Å; Q164-L168 WeakPolarHBondContact O-CG 3.08Å; Q164-L168 PolarHBondContact O-N 3.46Å; Q164-F186 HydrophobicContact CG-CE1 4.47Å
165	S	92.9	Very high	87.7	Confident	48 Å²	48	72.1 Å²	72.1	34%	0.336	39%	0.39	S	S	.	.	H	α-helix	trans	-65.9	-43.2	-176.8	-54.2	0	0	0	0	112.2	N161 Q163 S169	N161-S165 WeakPolarHBondContact O-CB 3.1Å; N161-S165 PolarHBondContact O-N 2.85Å; N161-S165 VanDerWaalsContact O-N 3.13Å; N161-S165 PolarHBondContact O-OG 2.85Å; Q163-S165 PolarHBondContact O-N 3.18Å; S165-S169 WeakPolarHBondContact O-CB 3.24Å; S165-S169 PolarHBondContact O-N 3.33Å
166	S	94.9	Very high	88	Confident	70 Å²	70	69.9 Å²	69.9	49%	0.49	39%	0.391	S	S	.	.	H	α-helix	trans	-65	-43.9	178	55.1	0	0	0	0	112.1	T162 Q163 S169 E170	T162-S166 WeakPolarHBondContact O-CB 3.27Å; T162-S166 PolarHBondContact O-N 3.31Å; T162-S166 PolarHBondContact O-OG 3.07Å; Q163-S166 PolarHBondContact O-OG 2.78Å; Q163-S166 VanDerWaalsContact O-OG 3.07Å; S166-S169 WeakPolarHBondContact O-CB 3.25Å; S166-S169 PolarHBondContact O-N 2.76Å; S166-E170 PolarHBondContact O-N 3.13Å
167	A	96.3	Very high	88.7	Confident	28 Å²	28	72.6 Å²	72.6	23%	0.231	42%	0.423	C	S	.	.	H	α-helix	trans	-65.4	-40.2	178.8	0	0	0	0	0	112.7	L129 Q163 Q164 S169 E170 L171	L129-A167 HydrophobicContact CD1-CB 3.62Å; L129-A167 HydrophobicContact CD2-CB 4.12Å; L129-A167 HydrophobicContact CG-CB 4.39Å; Q163-A167 VanDerWaalsContact O-CB 3.31Å; Q163-A167 WeakPolarHBondContact O-CB 3.37Å; Q163-A167 PolarHBondContact O-N 2.82Å; Q164-A167 PolarHBondContact O-N 3.21Å; A167-S169 VanDerWaalsContact C-N 3.34Å; A167-E170 PolarHBondContact O-N 3.45Å; A167-L171 WeakPolarHBondContact O-CB 3.39Å; A167-L171 PolarHBondContact O-N 3.01Å
168	L	97.4	Very high	89.7	Confident	5 Å²	5	71.2 Å²	71.2	3%	0.026	42%	0.416	C	S	.	.	H	α-helix	trans	-68.7	-33.3	175.2	-70.3	173.3	0	0	0	112	I123 L129 F132 L151 T153 Q164 R172 V184 F186	I123-L168 HydrophobicContact CG2-CD2 4.39Å; L129-L168 HydrophobicContact CD2-CD2 3.74Å; L129-L168 HydrophobicContact CD2-CG 3.79Å; F132-L168 HydrophobicContact CD1-CD2 4.26Å; L151-L168 HydrophobicContact CD2-CD1 4.27Å; L151-L168 HydrophobicContact CD2-CD2 3.72Å; T153-L168 HydrophobicContact CG2-CD1 4.4Å; Q164-L168 HydrophobicContact CG-CD1 4.01Å; Q164-L168 WeakPolarHBondContact O-CB 3.23Å; Q164-L168 WeakPolarHBondContact O-CG 3.08Å; Q164-L168 PolarHBondContact O-N 3.46Å; L168-R172 WeakPolarHBondContact O-CB 3.34Å; L168-R172 PolarHBondContact O-N 2.95Å; L168-V184 HydrophobicContact CD1-CG1 3.97Å; L168-F186 HydrophobicContact CD1-CE1 4.34Å; L168-F186 HydrophobicContact CD1-CZ 4.04Å
169	S	97.6	Very high	91.1	Very high	57 Å²	57	64.8 Å²	64.8	40%	0.399	40%	0.401	S	S	.	.	H	α-helix	trans	-66.1	-45	172.1	-167.2	0	0	0	0	111.8	S165 S166 A167 L171 R172 D173	S165-S169 WeakPolarHBondContact O-CB 3.24Å; S165-S169 PolarHBondContact O-N 3.33Å; S166-S169 WeakPolarHBondContact O-CB 3.25Å; S166-S169 PolarHBondContact O-N 2.76Å; A167-S169 VanDerWaalsContact C-N 3.34Å; S169-L171 VanDerWaalsContact C-N 3.32Å; S169-L171 PolarHBondContact O-N 2.76Å; S169-R172 WeakPolarHBondContact O-CB 3.21Å; S169-R172 PolarHBondContact O-N 3.3Å; S169-D173 PolarHBondContact O-N 3.13Å
170	E	98.1	Very high	92.8	Very high	146 Å²	146	63 Å²	63	68%	0.682	38%	0.382	S	S	*	.	H	α-helix	trans	-60.6	-43.8	176.3	-175.9	-176.2	165.9	0	0	111.2	S166 A167 R172 D173 S174	S166-E170 PolarHBondContact O-N 3.13Å; A167-E170 PolarHBondContact O-N 3.45Å; E170-R172 VanDerWaalsContact C-N 3.33Å; E170-R172 PolarHBondContact O-N 3.4Å; E170-D173 PolarHBondContact O-N 3.38Å; E170-S174 WeakPolarHBondContact O-CB 3.46Å; E170-S174 PolarHBondContact O-N 3.22Å
171	L	98.3	Very high	94.3	Very high	18 Å²	18	62.3 Å²	62.3	9%	0.094	38%	0.381	C	S	.	.	H	α-helix	trans	-62.1	-41.6	175.1	179	58.2	0	0	0	111.8	F132 L133 A167 S169 D173 S174 L175 L182	F132-L171 HydrophobicContact CD1-CD2 3.39Å; F132-L171 HydrophobicContact CE1-CD2 3.57Å; L133-L171 HydrophobicContact CD1-CD1 3.57Å; A167-L171 WeakPolarHBondContact O-CB 3.39Å; A167-L171 PolarHBondContact O-N 3.01Å; S169-L171 VanDerWaalsContact C-N 3.32Å; S169-L171 PolarHBondContact O-N 2.76Å; L171-D173 PolarHBondContact O-N 3.17Å; L171-S174 PolarHBondContact O-N 3.47Å; L171-L175 HydrophobicContact CD1-CD1 4.02Å; L171-L175 HydrophobicContact CD1-CG 4.05Å; L171-L175 HydrophobicContact CG-CD1 3.97Å; L171-L175 HydrophobicContact CG-CG 4.44Å; L171-L175 WeakPolarHBondContact O-CB 3.46Å; L171-L175 WeakPolarHBondContact O-CG 3.45Å; L171-L175 PolarHBondContact O-N 3.34Å; L171-L182 HydrophobicContact CB-CD2 4.48Å; L171-L182 HydrophobicContact CD2-CD2 4.2Å; L171-L182 HydrophobicContact CG-CD2 4.05Å
172	R	98.4	Very high	95.7	Very high	132 Å²	132	60 Å²	60	50%	0.498	37%	0.369	S	S	.	.	H	α-helix	trans	-58.4	-47.1	176.4	179.3	-177.5	-167.2	-162.2	0.4	111.5	L168 S169 E170 L175 G176 L182	L168-R172 WeakPolarHBondContact O-CB 3.34Å; L168-R172 PolarHBondContact O-N 2.95Å; S169-R172 WeakPolarHBondContact O-CB 3.21Å; S169-R172 PolarHBondContact O-N 3.3Å; E170-R172 VanDerWaalsContact C-N 3.33Å; E170-R172 PolarHBondContact O-N 3.4Å; R172-L175 PolarHBondContact O-N 3.34Å; R172-G176 PolarHBondContact O-N 3.38Å; R172-L182 HydrophobicContact CB-CB 4.21Å; R172-L182 HydrophobicContact CB-CD2 4.15Å; R172-L182 HydrophobicContact CG-CB 4.16Å; R172-L182 PolarHBondContact NE-O 3.48Å; R172-L182 VanDerWaalsContact NE-O 3.16Å
173	D	98.3	Very high	96.5	Very high	113 Å²	113	57.6 Å²	57.6	60%	0.604	35%	0.352	S	S	*	.	H	α-helix	trans	-66.4	-41.9	180	-66	-24.3	0	0	0	111.3	S169 E170 L171 G176 G177	S169-D173 PolarHBondContact O-N 3.13Å; E170-D173 PolarHBondContact O-N 3.38Å; L171-D173 PolarHBondContact O-N 3.17Å; D173-G176 PolarHBondContact O-N 2.92Å; D173-G177 PolarHBondContact O-N 3.13Å; D173-G177 VanDerWaalsContact O-N 3.08Å
174	S	98.2	Very high	97	Very high	67 Å²	67	55.1 Å²	55.1	47%	0.469	34%	0.343	S	S	.	.	H	α-helix	trans	-61.3	-44	176.4	-176.2	0	0	0	0	112.6	E170 L171 G176 G177 H178	E170-S174 WeakPolarHBondContact O-CB 3.46Å; E170-S174 PolarHBondContact O-N 3.22Å; L171-S174 PolarHBondContact O-N 3.47Å; S174-G176 VanDerWaalsContact C-N 3.35Å; S174-G177 PolarHBondContact O-N 3.19Å; S174-H178 PolarHBondContact O-ND1 3.33Å
175	L	97.8	Very high	97.1	Very high	5 Å²	5	60.2 Å²	60.2	3%	0.026	37%	0.367	C	S	.	.	H	α-helix	trans	-66	-37.4	174.3	-75.6	172.2	0	0	0	112	C136 L140 I149 L171 R172 G177 H178 G179 V180 L182	C136-L175 HydrophobicContact CB-CD1 4.4Å; C136-L175 HydrophobicContact CB-CD2 4.15Å; L140-L175 HydrophobicContact CD1-CD2 4.04Å; I149-L175 HydrophobicContact CD1-CD1 4.45Å; L171-L175 HydrophobicContact CD1-CD1 4.02Å; L171-L175 HydrophobicContact CD1-CG 4.05Å; L171-L175 HydrophobicContact CG-CD1 3.97Å; L171-L175 HydrophobicContact CG-CG 4.44Å; L171-L175 WeakPolarHBondContact O-CB 3.46Å; L171-L175 WeakPolarHBondContact O-CG 3.45Å; L171-L175 PolarHBondContact O-N 3.34Å; R172-L175 PolarHBondContact O-N 3.34Å; L175-G177 VanDerWaalsContact C-N 3.25Å; L175-G177 PolarHBondContact O-N 3.24Å; L175-H178 CarbonylContact O-C 3.58Å; L175-H178 WeakPolarHBondContact O-CA 3.25Å; L175-H178 WeakPolarHBondContact O-CB 3.33Å; L175-H178 PolarHBondContact O-N 3.05Å; L175-G179 PolarHBondContact O-N 3.47Å; L175-V180 CarbonylContact C-O 3.59Å; L175-V180 HydrophobicContact CB-CB 4.2Å; L175-V180 HydrophobicContact CD2-CB 4.4Å; L175-V180 PolarHBondContact O-N 3.47Å; L175-L182 HydrophobicContact CD1-CB 3.96Å; L175-L182 HydrophobicContact CD1-CD2 4.05Å; L175-L182 HydrophobicContact CD1-CG 4.43Å
176	G	97.4	Very high	97.3	Very high	44 Å²	44	61.8 Å²	61.8	45%	0.454	37%	0.368	S	S	.	.	H	α-helix	trans	-57.9	-38.2	174.1	0	0	0	0	0	112.5	R172 D173 S174 H178 G179 V180	R172-G176 PolarHBondContact O-N 3.38Å; D173-G176 PolarHBondContact O-N 2.92Å; S174-G176 VanDerWaalsContact C-N 3.35Å; G176-H178 PolarHBondContact O-N 2.9Å; G176-G179 PolarHBondContact O-N 2.95Å; G176-V180 WeakPolarHBondContact CA-O 3.34Å; G176-V180 PolarHBondContact N-O 3.27Å
177	G	96.5	Very high	97.3	Very high	71 Å²	71	60 Å²	60	73%	0.732	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-20.5	172.3	0	0	0	0	0	114.5	D173 S174 L175	D173-G177 PolarHBondContact O-N 3.13Å; D173-G177 VanDerWaalsContact O-N 3.08Å; S174-G177 PolarHBondContact O-N 3.19Å; L175-G177 VanDerWaalsContact C-N 3.25Å; L175-G177 PolarHBondContact O-N 3.24Å
178	H	95.2	Very high	97	Very high	128 Å²	128	62.9 Å²	62.9	59%	0.593	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102	10.1	175.7	-63.4	82.3	0	0	0	112.9	L140 S174 L175 G176 V180	L140-H178 HydrophobicContact CD1-CB 4.4Å; L140-H178 HydrophobicContact CD2-CB 4.43Å; S174-H178 PolarHBondContact O-ND1 3.33Å; L175-H178 CarbonylContact O-C 3.58Å; L175-H178 WeakPolarHBondContact O-CA 3.25Å; L175-H178 WeakPolarHBondContact O-CB 3.33Å; L175-H178 PolarHBondContact O-N 3.05Å; G176-H178 PolarHBondContact O-N 2.9Å; H178-V180 VanDerWaalsContact C-N 3.33Å
179	G	95.1	Very high	96.8	Very high	55 Å²	55	67.7 Å²	67.7	57%	0.567	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.6	17	-179.8	0	0	0	0	0	114.5	L175 G176	L175-G179 PolarHBondContact O-N 3.47Å; G176-G179 PolarHBondContact O-N 2.95Å
180	V	97.3	Very high	96.6	Very high	3 Å²	3	66 Å²	66	2%	0.018	39%	0.389	C	S	.	.			trans	-108.7	125.6	179	-176.5	0	0	0	0	110.4	L140 V146 I149 L175 G176 H178	L140-V180 HydrophobicContact CD2-CG2 3.58Å; V146-V180 HydrophobicContact CG1-CG1 4.32Å; V146-V180 WeakPolarHBondContact O-CG2 3.41Å; I149-V180 HydrophobicContact CD1-CG1 3.9Å; I149-V180 HydrophobicContact CG1-CG1 3.99Å; L175-V180 CarbonylContact C-O 3.59Å; L175-V180 HydrophobicContact CB-CB 4.2Å; L175-V180 HydrophobicContact CD2-CB 4.4Å; L175-V180 PolarHBondContact O-N 3.47Å; G176-V180 WeakPolarHBondContact CA-O 3.34Å; G176-V180 PolarHBondContact N-O 3.27Å; H178-V180 VanDerWaalsContact C-N 3.33Å
181	T	98.3	Very high	96.2	Very high	78 Å²	78	65.6 Å²	65.6	48%	0.479	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	120.2	174.4	-58.3	0	0	0	0	110.1	T147 K148 I149	T147-T181 PolarHBondContact O-N 3.4Å; K148-T181 CarbonylContact C-O 3.59Å; K148-T181 WeakPolarHBondContact CA-O 3.48Å; I149-T181 PolarHBondContact N-O 3.08Å
182	L	98.6	Very high	95.9	Very high	1 Å²	1	69.4 Å²	69.4	1%	0.005	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	116.6	167.8	178.9	63.8	0	0	0	109.5	F132 I149 L151 L171 R172 L175 V184	F132-L182 HydrophobicContact CE1-CD1 4.02Å; F132-L182 HydrophobicContact CE1-CD2 4.13Å; F132-L182 HydrophobicContact CZ-CD1 3.89Å; I149-L182 HydrophobicContact CB-CD1 4Å; I149-L182 HydrophobicContact CG2-CD1 3.83Å; I149-L182 WeakPolarHBondContact O-CA 3.4Å; L151-L182 HydrophobicContact CB-CD1 4.23Å; L171-L182 HydrophobicContact CB-CD2 4.48Å; L171-L182 HydrophobicContact CD2-CD2 4.2Å; L171-L182 HydrophobicContact CG-CD2 4.05Å; R172-L182 HydrophobicContact CB-CB 4.21Å; R172-L182 HydrophobicContact CB-CD2 4.15Å; R172-L182 HydrophobicContact CG-CB 4.16Å; R172-L182 PolarHBondContact NE-O 3.48Å; R172-L182 VanDerWaalsContact NE-O 3.16Å; L175-L182 HydrophobicContact CD1-CB 3.96Å; L175-L182 HydrophobicContact CD1-CD2 4.05Å; L175-L182 HydrophobicContact CD1-CG 4.43Å; L182-V184 HydrophobicContact CD1-CG2 4.26Å; L182-V184 HydrophobicContact CD2-CG2 3.95Å; L182-V184 HydrophobicContact CG-CG2 3.74Å
183	D	98.1	Very high	95.8	Very high	52 Å²	52	66.9 Å²	66.9	28%	0.278	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	127.5	167.4	-173.6	20.8	0	0	0	109.1	I149 H150 L151 Q185	I149-D183 PolarHBondContact O-N 2.84Å; H150-D183 CarbonylContact C-O 3.56Å; H150-D183 WeakPolarHBondContact CA-O 3.39Å; H150-D183 IonicContact ND1-OD2 2.94Å; L151-D183 PolarHBondContact N-O 3.36Å; D183-Q185 PolarHBondContact OD2-NE2 2.96Å; D183-Q185 VanDerWaalsContact OD2-NE2 3.09Å
184	V	97.9	Very high	95.8	Very high	35 Å²	35	62.8 Å²	62.8	21%	0.212	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	121.6	-177.1	-176.3	0	0	0	0	108.7	L151 L168 L182 F186	L151-V184 HydrophobicContact CB-CG2 4.46Å; L151-V184 HydrophobicContact CD2-CG1 4.33Å; L151-V184 CarbonylContact O-C 3.53Å; L151-V184 WeakPolarHBondContact O-CA 3.42Å; L168-V184 HydrophobicContact CD1-CG1 3.97Å; L182-V184 HydrophobicContact CD1-CG2 4.26Å; L182-V184 HydrophobicContact CD2-CG2 3.95Å; L182-V184 HydrophobicContact CG-CG2 3.74Å; V184-F186 HydrophobicContact CG1-CE2 3.93Å; V184-F186 HydrophobicContact CG1-CZ 3.94Å
185	Q	97.2	Very high	95.8	Very high	108 Å²	108	60 Å²	60	51%	0.505	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	144.6	176.7	-61.3	-176.6	16.5	0	0	109.8	L151 L152 T153 D183	L151-Q185 PolarHBondContact O-N 3.08Å; L152-Q185 WeakPolarHBondContact CA-O 3.49Å; L152-Q185 HydrophobicContact CD1-CB 3.93Å; T153-Q185 PolarHBondContact N-O 3.41Å; D183-Q185 PolarHBondContact OD2-NE2 2.96Å; D183-Q185 VanDerWaalsContact OD2-NE2 3.09Å
186	F	95.7	Very high	95.7	Very high	82 Å²	82	61 Å²	61	36%	0.36	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	133.7	178.7	-65.3	-83.9	0	0	0	110.6	T153 Q155 Q164 L168 V184	T153-F186 HydrophobicContact CG2-CD1 3.73Å; T153-F186 HydrophobicContact CG2-CE1 3.57Å; T153-F186 HydrophobicContact CG2-CZ 4.44Å; T153-F186 CarbonylContact O-C 3.6Å; T153-F186 VanDerWaalsContact O-CA 3.26Å; T153-F186 WeakPolarHBondContact O-CA 3.42Å; Q155-F186 HydrophobicContact CB-CD1 4.21Å; Q164-F186 HydrophobicContact CG-CE1 4.47Å; L168-F186 HydrophobicContact CD1-CE1 4.34Å; L168-F186 HydrophobicContact CD1-CZ 4.04Å; V184-F186 HydrophobicContact CG1-CE2 3.93Å; V184-F186 HydrophobicContact CG1-CZ 3.94Å
187	S	94.9	Very high	95.7	Very high	32 Å²	32	59 Å²	59	22%	0.224	34%	0.337	C	S	.	.			trans	-140.9	135.2	170.7	177.4	0	0	0	0	110.4	T153 S154 T189	T153-S187 PolarHBondContact O-N 3.38Å; S154-S187 VanDerWaalsContact CA-O 3.26Å; S154-S187 WeakPolarHBondContact CA-O 3.11Å; S154-S187 WeakPolarHBondContact CB-O 3.26Å; S187-T189 VanDerWaalsContact C-N 3.34Å; S187-T189 PolarHBondContact OG-N 2.96Å; S187-T189 PolarHBondContact OG-OG1 3.48Å; S187-T189 VanDerWaalsContact OG-OG1 3.05Å
188	S	91.6	Very high	95.5	Very high	89 Å²	89	57.5 Å²	57.5	62%	0.622	31%	0.312	S	S	*	.	S	Bend	trans	-84.8	-8.1	176.1	54.1	0	0	0	0	113.5
189	T	92.8	Very high	95.3	Very high	106 Å²	106	53.3 Å²	53.3	65%	0.65	30%	0.295	S	S	*	.	S	Bend	trans	-103.1	-1.1	-173.1	57	0	0	0	0	113.8	S187	S187-T189 VanDerWaalsContact C-N 3.34Å; S187-T189 PolarHBondContact OG-N 2.96Å; S187-T189 PolarHBondContact OG-OG1 3.48Å; S187-T189 VanDerWaalsContact OG-OG1 3.05Å
190	I	93.4	Very high	95.1	Very high	20 Å²	20	50.8 Å²	50.8	10%	0.103	27%	0.269	C	S	.	.			trans	-80.8	137.6	179.7	62.3	174	0	0	0	111.2	P121 L152 T153	P121-I190 HydrophobicContact CB-CD1 4.4Å; P121-I190 HydrophobicContact CB-CG1 4.18Å; P121-I190 HydrophobicContact CG-CD1 4.32Å; P121-I190 HydrophobicContact CG-CG1 4.06Å; L152-I190 HydrophobicContact CD2-CG2 3.83Å; L152-I190 HydrophobicContact CG-CD1 3.93Å; L152-I190 HydrophobicContact CG-CG2 4.14Å; T153-I190 VanDerWaalsContact C-CD1 3.45Å
191	H	90.6	Very high	95	Very high	139 Å²	139	51.1 Å²	51.1	64%	0.644	27%	0.269	S	S	*	.			trans	-132.4	-20.6	175.6	-59.3	-52.9	0	0	0	112.2
192	D	90.3	Very high	94.9	Very high	98 Å²	98	48.3 Å²	48.3	52%	0.524	25%	0.251	S	S	.	.			trans	-71.9	144.5	-179.3	-71.2	-1.2	0	0	0	110.5	P121	P121-D192 WeakPolarHBondContact CD-O 3.01Å
193	R	97.3	Very high	94.8	Very high	78 Å²	78	48.3 Å²	48.3	29%	0.294	25%	0.251	S	S	.	.			trans	-117	99.2	176.2	-69.2	144.7	176.3	151.7	5.2	107	E119 Y122 K204 I205 G206	E119-R193 CarbonylContact O-C 3.57Å; E119-R193 WeakPolarHBondContact O-CA 3.31Å; Y122-R193 VanDerWaalsContact CZ-NH2 3.25Å; Y122-R193 PolarHBondContact OH-NH2 3.42Å; R193-K204 WeakPolarHBondContact O-CA 3.49Å; R193-I205 VanDerWaalsContact CB-O 3.24Å; R193-I205 WeakPolarHBondContact CB-O 3.34Å; R193-I205 WeakPolarHBondContact CD-O 3.35Å; R193-I205 PolarHBondContact O-N 3.49Å; R193-G206 WeakPolarHBondContact CD-O 3.37Å; R193-G206 PolarHBondContact NH1-O 3.5Å
194	E	97.6	Very high	94.8	Very high	28 Å²	28	49.4 Å²	49.4	13%	0.131	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	131.8	-170	-170.9	174.1	122.7	0	0	110.6	E119 R196 I202 K204	E119-E194 HydrophobicContact CB-CB 4.49Å; E119-E194 PolarHBondContact N-O 3.14Å; E119-E194 PolarHBondContact O-N 3.33Å; E194-R196 HydrophobicContact CG-CG 4.01Å; E194-R196 WeakPolarHBondContact OE1-CD 3.43Å; E194-R196 WeakPolarHBondContact OE1-CG 3.38Å; E194-I202 HydrophobicContact CG-CG2 3.51Å; E194-K204 HydrophobicContact CB-CG 4.44Å; E194-K204 HydrophobicContact CG-CG 4.19Å; E194-K204 WeakPolarHBondContact OE2-CE 3.38Å; E194-K204 IonicContact OE2-NZ 3.85Å; E194-K204 PolarHBondContact OE2-NZ 2.97Å
195	I	98.2	Very high	94.8	Very high	7 Å²	7	48 Å²	48	4%	0.036	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	125.1	171.8	-62.8	167.9	0	0	0	107.3	F105 I116 W117 V118 F135 F197 I202 I203 I205 L209	F105-I195 HydrophobicContact CE1-CD1 3.65Å; F105-I195 HydrophobicContact CZ-CD1 3.46Å; F105-I195 VanDerWaalsContact CZ-CD1 3.46Å; I116-I195 HydrophobicContact CG2-CG2 4.3Å; W117-I195 CarbonylContact O-C 3.46Å; W117-I195 WeakPolarHBondContact O-CA 3.35Å; V118-I195 HydrophobicContact CG1-CG1 4.25Å; V118-I195 HydrophobicContact CG2-CG1 4.41Å; V118-I195 HydrophobicContact CG2-CG2 4.49Å; F135-I195 HydrophobicContact CE2-CD1 4.24Å; F135-I195 HydrophobicContact CZ-CD1 4.38Å; F135-I195 HydrophobicContact CZ-CG2 4.05Å; I195-F197 HydrophobicContact CG2-CD1 4.21Å; I195-F197 HydrophobicContact CG2-CE1 3.57Å; I195-F197 HydrophobicContact CG2-CZ 4.1Å; I195-I202 CarbonylContact O-C 3.47Å; I195-I202 WeakPolarHBondContact O-CA 3.39Å; I195-I203 HydrophobicContact CB-CB 4.47Å; I195-I203 PolarHBondContact N-O 3.35Å; I195-I203 PolarHBondContact O-N 2.74Å; I195-I205 HydrophobicContact CD1-CD1 4.47Å; I195-L209 HydrophobicContact CD1-CD2 3.86Å
196	R	97.1	Very high	94.8	Very high	28 Å²	28	44.4 Å²	44.4	11%	0.106	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	138.6	179.5	-56.9	166.5	56.4	-171.3	-10.7	110.3	I116 W117 E194 W201 I202 K245	I116-R196 WeakPolarHBondContact CA-O 3.1Å; W117-R196 HydrophobicContact CB-CB 4.23Å; W117-R196 HydrophobicContact CE3-CB 4.31Å; W117-R196 PolarHBondContact N-O 3.04Å; W117-R196 PolarHBondContact O-N 3.02Å; E194-R196 HydrophobicContact CG-CG 4.01Å; E194-R196 WeakPolarHBondContact OE1-CD 3.43Å; E194-R196 WeakPolarHBondContact OE1-CG 3.38Å; R196-W201 WeakPolarHBondContact CA-O 3.3Å; R196-I202 HydrophobicContact CG-CG1 4.19Å; R196-I202 HydrophobicContact CG-CG2 4.2Å; R196-K245 PolarHBondContact NH2-O 3.31Å
197	F	95.6	Very high	94.9	Very high	1 Å²	1	45.3 Å²	45.3	0%	0.004	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	144.3	174.1	-66.5	-18.7	0	0	0	110.1	F105 I109 L113 I116 F135 I195 N199 G200 W201 I203	F105-F197 HydrophobicContact CD1-CZ 4.16Å; I109-F197 HydrophobicContact CG1-CE2 4.16Å; I109-F197 HydrophobicContact CG1-CZ 4.37Å; L113-F197 HydrophobicContact CD1-CB 3.54Å; L113-F197 HydrophobicContact CD1-CD1 4.15Å; L113-F197 HydrophobicContact CD1-CD2 4.48Å; L113-F197 HydrophobicContact CD1-CG 3.82Å; I116-F197 HydrophobicContact CB-CD1 4.31Å; I116-F197 HydrophobicContact CG1-CD1 3.76Å; I116-F197 HydrophobicContact CG1-CE1 4.04Å; I116-F197 HydrophobicContact CG2-CD1 3.83Å; I116-F197 HydrophobicContact CG2-CE1 3.77Å; F135-F197 HydrophobicContact CZ-CE1 4.44Å; I195-F197 HydrophobicContact CG2-CD1 4.21Å; I195-F197 HydrophobicContact CG2-CE1 3.57Å; I195-F197 HydrophobicContact CG2-CZ 4.1Å; F197-N199 WeakPolarHBondContact CB-OD1 3.48Å; F197-N199 PolarHBondContact O-N 2.86Å; F197-N199 VanDerWaalsContact O-N 3.13Å; F197-G200 PolarHBondContact O-N 3Å; F197-W201 HydrophobicContact CB-CB 4.21Å; F197-W201 HydrophobicContact CD2-CB 3.91Å; F197-W201 HydrophobicContact CG-CB 4.46Å; F197-W201 PolarHBondContact N-O 3.3Å; F197-I203 HydrophobicContact CD2-CD1 4.09Å; F197-I203 HydrophobicContact CE2-CD1 3.78Å; F197-I203 HydrophobicContact CZ-CD1 4.17Å
198	D	93.6	Very high	95	Very high	39 Å²	39	44 Å²	44	21%	0.209	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-17.1	178.6	64.8	-0.1	0	0	0	114.1	L113 S114 E115 W117 G200	L113-D198 WeakPolarHBondContact CA-OD1 3.19Å; L113-D198 WeakPolarHBondContact CD1-OD1 3.36Å; S114-D198 WeakPolarHBondContact CA-OD2 3.42Å; S114-D198 WeakPolarHBondContact CB-OD2 3.44Å; S114-D198 PolarHBondContact N-OD2 3.47Å; S114-D198 PolarHBondContact OG-OD2 3.49Å; E115-D198 HydrophobicContact CB-CB 4.2Å; E115-D198 PolarHBondContact N-OD2 3.23Å; E115-D198 WeakPolarHBondContact O-CB 3.48Å; E115-D198 PolarHBondContact O-N 2.7Å; E115-D198 VanDerWaalsContact O-N 3.1Å; W117-D198 HydrophobicContact CH2-CB 4.34Å; W117-D198 HydrophobicContact CZ3-CB 4.01Å; D198-G200 VanDerWaalsContact C-N 3.26Å; D198-G200 PolarHBondContact O-N 3.47Å
199	N	90.8	Very high	95.4	Very high	41 Å²	41	39.8 Å²	39.8	22%	0.219	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	6.1	173.3	69	2.1	0	0	0	114	Y108 S110 F197 W201 H240	Y108-N199 PolarHBondContact O-ND2 3.39Å; Y108-N199 VanDerWaalsContact O-ND2 3.1Å; S110-N199 PolarHBondContact OG-ND2 3.49Å; F197-N199 WeakPolarHBondContact CB-OD1 3.48Å; F197-N199 PolarHBondContact O-N 2.86Å; F197-N199 VanDerWaalsContact O-N 3.13Å; N199-W201 PolarHBondContact OD1-N 3.44Å; N199-H240 PolarHBondContact O-NE2 3.17Å
200	G	91.3	Very high	95.6	Very high	2 Å²	2	36 Å²	36	2%	0.021	18%	0.176	C	C	.	.	S	Bend	trans	100.1	-9.9	171.2	0	0	0	0	0	115.5	F197 D198 H240 T241	F197-G200 PolarHBondContact O-N 3Å; D198-G200 VanDerWaalsContact C-N 3.26Å; D198-G200 PolarHBondContact O-N 3.47Å; G200-H240 WeakPolarHBondContact O-CA 3.47Å; G200-T241 WeakPolarHBondContact CA-O 3.28Å; G200-T241 PolarHBondContact O-N 3.48Å; G200-T241 PolarHBondContact O-OG1 3.18Å
201	W	94.2	Very high	95.8	Very high	9 Å²	9	35.1 Å²	35.1	3%	0.034	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	138	176.6	-67.8	116.2	0	0	0	112.1	Q30 Y86 Y108 R196 F197 N199 I203 I238 H240	Q30-W201 HydrophobicContact CB-CH2 4.32Å; Q30-W201 HydrophobicContact CG-CH2 3.98Å; Q30-W201 HydrophobicContact CG-CZ2 3.85Å; Y86-W201 HydrophobicContact CD1-CH2 4.15Å; Y86-W201 AromaticContact CD1-CZ3 3.58Å; Y86-W201 HydrophobicContact CD1-CZ3 3.58Å; Y86-W201 HydrophobicContact CD2-CH2 4.46Å; Y86-W201 AromaticContact CE1-CH2 3.82Å; Y86-W201 HydrophobicContact CE1-CH2 3.82Å; Y86-W201 AromaticContact CE1-CZ3 3.44Å; Y86-W201 HydrophobicContact CE1-CZ3 3.44Å; Y86-W201 VanDerWaalsContact CE1-CZ3 3.44Å; Y86-W201 HydrophobicContact CE2-CH2 4.12Å; Y86-W201 HydrophobicContact CE2-CZ3 4.49Å; Y86-W201 HydrophobicContact CG-CH2 4.48Å; Y86-W201 HydrophobicContact CG-CZ3 4.2Å; Y86-W201 AromaticContact CZ-CH2 3.8Å; Y86-W201 AromaticContact CZ-CZ3 3.94Å; Y108-W201 AromaticContact CD1-CD2 3.73Å; Y108-W201 HydrophobicContact CD1-CD2 3.73Å; Y108-W201 AromaticContact CD1-CE2 3.79Å; Y108-W201 AromaticContact CD1-CE3 3.82Å; Y108-W201 HydrophobicContact CD1-CE3 3.82Å; Y108-W201 HydrophobicContact CD1-CG 4.28Å; Y108-W201 HydrophobicContact CD1-CH2 4.01Å; Y108-W201 AromaticContact CD1-CZ2 3.91Å; Y108-W201 HydrophobicContact CD1-CZ2 3.91Å; Y108-W201 AromaticContact CD1-CZ3 3.97Å; Y108-W201 HydrophobicContact CD1-CZ3 3.97Å; Y108-W201 HydrophobicContact CE1-CE3 4.32Å; Y108-W201 HydrophobicContact CE1-CH2 4.18Å; Y108-W201 HydrophobicContact CE1-CZ2 4.47Å; Y108-W201 HydrophobicContact CE1-CZ3 4.11Å; Y108-W201 HydrophobicContact CG-CD2 4.4Å; Y108-W201 HydrophobicContact CG-CG 4.5Å; Y108-W201 VanDerWaalsContact O-CD1 3.23Å; R196-W201 WeakPolarHBondContact CA-O 3.3Å; F197-W201 HydrophobicContact CB-CB 4.21Å; F197-W201 HydrophobicContact CD2-CB 3.91Å; F197-W201 HydrophobicContact CG-CB 4.46Å; F197-W201 PolarHBondContact N-O 3.3Å; N199-W201 PolarHBondContact OD1-N 3.44Å; W201-I203 HydrophobicContact CB-CD1 4.22Å; W201-I238 HydrophobicContact CE3-CG2 3.72Å; W201-I238 HydrophobicContact CZ3-CG2 3.78Å; W201-H240 AromaticContact CD2-CD2 3.63Å; W201-H240 AromaticContact CE2-CD2 3.75Å; W201-H240 HydrophobicContact CE3-CB 3.97Å; W201-H240 AromaticContact CE3-CD2 3.81Å; W201-H240 HydrophobicContact CZ3-CB 3.96Å
202	I	95.9	Very high	96.2	Very high	19 Å²	19	29 Å²	29	10%	0.097	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	126	174.6	-53	-176.1	0	0	0	107.8	E194 I195 R196 I238 F239 T241	E194-I202 HydrophobicContact CG-CG2 3.51Å; I195-I202 CarbonylContact O-C 3.47Å; I195-I202 WeakPolarHBondContact O-CA 3.39Å; R196-I202 HydrophobicContact CG-CG1 4.19Å; R196-I202 HydrophobicContact CG-CG2 4.2Å; I202-I238 CarbonylContact O-C 3.59Å; I202-I238 WeakPolarHBondContact O-CA 3.49Å; I202-F239 HydrophobicContact CB-CB 4.31Å; I202-F239 PolarHBondContact N-O 3.34Å; I202-F239 PolarHBondContact O-N 3.06Å; I202-T241 HydrophobicContact CD1-CG2 3.47Å; I202-T241 VanDerWaalsContact CD1-CG2 3.47Å; I202-T241 HydrophobicContact CG1-CG2 4.32Å
203	I	97.6	Very high	96.6	Very high	1 Å²	1	26 Å²	26	1%	0.005	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	117.3	-178.9	-56.5	91.7	0	0	0	108.2	F105 Y108 I195 F197 W201 I205 V236 I238	F105-I203 HydrophobicContact CD1-CD1 4.45Å; F105-I203 HydrophobicContact CD1-CG1 4.46Å; F105-I203 HydrophobicContact CE1-CB 4.22Å; F105-I203 HydrophobicContact CE1-CG1 4.42Å; F105-I203 HydrophobicContact CE1-CG2 3.96Å; Y108-I203 HydrophobicContact CD2-CG1 4.49Å; I195-I203 HydrophobicContact CB-CB 4.47Å; I195-I203 PolarHBondContact N-O 3.35Å; I195-I203 PolarHBondContact O-N 2.74Å; F197-I203 HydrophobicContact CD2-CD1 4.09Å; F197-I203 HydrophobicContact CE2-CD1 3.78Å; F197-I203 HydrophobicContact CZ-CD1 4.17Å; W201-I203 HydrophobicContact CB-CD1 4.22Å; I203-I205 HydrophobicContact CG2-CD1 4.41Å; I203-I205 HydrophobicContact CG2-CG1 4.04Å; I203-V236 HydrophobicContact CG2-CG1 3.56Å; I203-I238 HydrophobicContact CG1-CG1 4.14Å; I203-I238 HydrophobicContact CG2-CG1 4.29Å
204	K	97.8	Very high	96.6	Very high	75 Å²	75	31.4 Å²	31.4	33%	0.326	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	126.3	174.6	-60.6	-170	-175.6	-127.6	0	109.6	R193 E194 V236 D237 F239	R193-K204 WeakPolarHBondContact O-CA 3.49Å; E194-K204 HydrophobicContact CB-CG 4.44Å; E194-K204 HydrophobicContact CG-CG 4.19Å; E194-K204 WeakPolarHBondContact OE2-CE 3.38Å; E194-K204 IonicContact OE2-NZ 3.85Å; E194-K204 PolarHBondContact OE2-NZ 2.97Å; K204-V236 CarbonylContact O-C 3.53Å; K204-V236 WeakPolarHBondContact O-CA 3.21Å; K204-D237 HydrophobicContact CB-CB 4.47Å; K204-D237 PolarHBondContact N-O 3.1Å; K204-D237 PolarHBondContact O-N 3.47Å; K204-F239 HydrophobicContact CD-CE2 4.09Å; K204-F239 HydrophobicContact CG-CE2 4.2Å
205	I	98	Very high	96.4	Very high	6 Å²	6	31.6 Å²	31.6	3%	0.031	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	126.4	-178.4	-52.4	177.6	0	0	0	108.7	L104 F105 R193 I195 I203 R207 G208 Y211 T234 V236	L104-I205 HydrophobicContact CD2-CD1 3.96Å; F105-I205 HydrophobicContact CE1-CD1 4.36Å; F105-I205 HydrophobicContact CZ-CD1 3.76Å; R193-I205 VanDerWaalsContact CB-O 3.24Å; R193-I205 WeakPolarHBondContact CB-O 3.34Å; R193-I205 WeakPolarHBondContact CD-O 3.35Å; R193-I205 PolarHBondContact O-N 3.49Å; I195-I205 HydrophobicContact CD1-CD1 4.47Å; I203-I205 HydrophobicContact CG2-CD1 4.41Å; I203-I205 HydrophobicContact CG2-CG1 4.04Å; I205-R207 PolarHBondContact O-N 2.95Å; I205-G208 WeakPolarHBondContact CG2-O 3.45Å; I205-G208 PolarHBondContact O-N 3.05Å; I205-Y211 HydrophobicContact CD1-CE1 4.37Å; I205-Y211 HydrophobicContact CG2-CD1 4.1Å; I205-T234 HydrophobicContact CG2-CG2 4.37Å; I205-V236 HydrophobicContact CG1-CG1 4.13Å; I205-V236 HydrophobicContact CG1-CG2 4.19Å; I205-V236 HydrophobicContact CG2-CG2 4.13Å
206	G	97.4	Very high	96.1	Very high	33 Å²	33	39.7 Å²	39.7	34%	0.34	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-32.2	-177.7	0	0	0	0	0	113.7	R193 T234 S235	R193-G206 WeakPolarHBondContact CD-O 3.37Å; R193-G206 PolarHBondContact NH1-O 3.5Å; G206-T234 WeakPolarHBondContact CA-OG1 3.32Å; G206-T234 PolarHBondContact N-OG1 3.31Å; G206-S235 PolarHBondContact N-O 2.9Å
207	R	97.2	Very high	96	Very high	101 Å²	101	40 Å²	40	38%	0.381	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	8.7	177.1	-56.7	-175.5	68.9	80.6	5.8	114.7	I205 D210 T234	I205-R207 PolarHBondContact O-N 2.95Å; R207-D210 PolarHBondContact NE-O 3.22Å; R207-D210 PolarHBondContact O-N 3.25Å; R207-T234 PolarHBondContact N-OG1 3.41Å
208	G	97.8	Very high	95.9	Very high	4 Å²	4	50 Å²	50	4%	0.041	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.5	-144.7	-171.1	0	0	0	0	0	111.1	D120 I205 D210 Y211	D120-G208 VanDerWaalsContact OD2-CA 3.28Å; D120-G208 WeakPolarHBondContact OD2-CA 3.43Å; I205-G208 WeakPolarHBondContact CG2-O 3.45Å; I205-G208 PolarHBondContact O-N 3.05Å; G208-D210 PolarHBondContact O-N 3.26Å; G208-Y211 WeakPolarHBondContact O-CD1 3.37Å
209	L	98.3	Very high	96	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.005	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-11.1	175.6	-66.6	178.1	0	0	0	112.7	Y101 F105 V118 D120 I123 N131 F132 F135 I195 Y211	Y101-L209 HydrophobicContact CD1-CD2 4.31Å; Y101-L209 HydrophobicContact CE1-CB 4.44Å; Y101-L209 HydrophobicContact CE1-CD2 3.72Å; Y101-L209 PolarHBondContact OH-O 2.72Å; F105-L209 HydrophobicContact CE2-CD2 4.34Å; F105-L209 HydrophobicContact CZ-CD2 4.27Å; V118-L209 HydrophobicContact CG1-CD1 4.4Å; D120-L209 PolarHBondContact OD2-N 3.27Å; I123-L209 HydrophobicContact CD1-CB 4.45Å; I123-L209 HydrophobicContact CD1-CD1 4.27Å; N131-L209 HydrophobicContact CB-CB 4.43Å; N131-L209 PolarHBondContact ND2-O 3.06Å; F132-L209 HydrophobicContact CB-CD1 4.46Å; F132-L209 HydrophobicContact CD2-CD1 3.9Å; F135-L209 HydrophobicContact CB-CD1 4.3Å; F135-L209 HydrophobicContact CD2-CD2 4.17Å; F135-L209 HydrophobicContact CG-CD1 4.39Å; F135-L209 HydrophobicContact CG-CD2 4.4Å; I195-L209 HydrophobicContact CD1-CD2 3.86Å; L209-Y211 PolarHBondContact O-N 3.29Å
210	D	97.9	Very high	96.3	Very high	27 Å²	27	57.5 Å²	57.5	14%	0.144	27%	0.271	C	S	.	.			trans	-97.7	48.8	-172.5	-160.3	30.2	0	0	0	114.2	H127 Q128 N131 R207 G208	H127-D210 IonicContact CD2-OD1 2.75Å; H127-D210 PolarHBondContact CD2-OD1 3.39Å; H127-D210 IonicContact CD2-OD2 3.9Å; H127-D210 IonicContact NE2-OD1 3.68Å; H127-D210 IonicContact NE2-OD2 2.61Å; H127-D210 PolarHBondContact NE2-OD2 3.25Å; Q128-D210 HydrophobicContact CG-CB 4.25Å; Q128-D210 PolarHBondContact NE2-OD2 3.34Å; N131-D210 PolarHBondContact ND2-OD1 3.47Å; R207-D210 PolarHBondContact NE-O 3.22Å; R207-D210 PolarHBondContact O-N 3.25Å; G208-D210 PolarHBondContact O-N 3.26Å
211	Y	98.3	Very high	96.6	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	31%	0.306	C	S	.	.			trans	-93.7	0.8	176.3	62.7	-97.6	0	0	0	114.2	I92 Y99 Y101 L104 I205 G208 L209 C231 H232 T234	I92-Y211 HydrophobicContact CD1-CD2 4.21Å; I92-Y211 HydrophobicContact CD1-CE2 4.18Å; Y99-Y211 VanDerWaalsContact O-CE2 3.3Å; Y99-Y211 WeakPolarHBondContact O-CE2 3.42Å; Y99-Y211 PolarHBondContact O-OH 3.42Å; Y101-Y211 HydrophobicContact CD1-CE1 4.23Å; Y101-Y211 WeakPolarHBondContact CD1-OH 3.35Å; Y101-Y211 AromaticContact CE1-CE1 3.7Å; Y101-Y211 HydrophobicContact CE1-CE1 3.7Å; Y101-Y211 AromaticContact CE1-CZ 3.9Å; L104-Y211 HydrophobicContact CD2-CE1 4.22Å; I205-Y211 HydrophobicContact CD1-CE1 4.37Å; I205-Y211 HydrophobicContact CG2-CD1 4.1Å; G208-Y211 WeakPolarHBondContact O-CD1 3.37Å; L209-Y211 PolarHBondContact O-N 3.29Å; Y211-C231 HydrophobicContact CD2-CB 4.17Å; Y211-C231 CarbonylContact O-C 3.54Å; Y211-C231 WeakPolarHBondContact O-CA 3.47Å; Y211-H232 PolarHBondContact O-N 3.32Å; Y211-T234 HydrophobicContact CG-CG2 4.32Å
212	F	98.4	Very high	96.6	Very high	12 Å²	12	64.2 Å²	64.2	5%	0.053	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	-87	138.9	179.1	-62.7	-70.9	0	0	0	112.3	Y99 Y101 Y226 R229	Y99-F212 WeakPolarHBondContact O-CZ 3.39Å; Y101-F212 HydrophobicContact CD1-CE2 4.22Å; Y101-F212 HydrophobicContact CD1-CZ 4.4Å; Y101-F212 AromaticContact CE1-CE2 3.56Å; Y101-F212 HydrophobicContact CE1-CE2 3.56Å; Y101-F212 HydrophobicContact CE1-CZ 4.14Å; Y101-F212 HydrophobicContact CE2-CE2 4.17Å; Y101-F212 AromaticContact CZ-CE2 3.53Å; F212-Y226 HydrophobicContact CB-CD1 4.26Å; F212-Y226 HydrophobicContact CB-CE1 4.05Å; F212-Y226 AromaticContact CD1-CD1 3.61Å; F212-Y226 HydrophobicContact CD1-CD1 3.61Å; F212-Y226 HydrophobicContact CD1-CE1 4.28Å; F212-Y226 AromaticContact CD2-CD1 3.51Å; F212-Y226 HydrophobicContact CD2-CD1 3.51Å; F212-Y226 AromaticContact CD2-CE1 3.73Å; F212-Y226 HydrophobicContact CD2-CE1 3.73Å; F212-Y226 AromaticContact CE1-CD1 3.72Å; F212-Y226 HydrophobicContact CE1-CD1 3.72Å; F212-Y226 HydrophobicContact CE1-CG 4.39Å; F212-Y226 AromaticContact CE2-CD1 3.6Å; F212-Y226 HydrophobicContact CE2-CD1 3.6Å; F212-Y226 HydrophobicContact CE2-CE1 4.22Å; F212-Y226 AromaticContact CG-CD1 3.51Å; F212-Y226 HydrophobicContact CG-CD1 3.51Å; F212-Y226 AromaticContact CG-CE1 3.75Å; F212-Y226 HydrophobicContact CG-CE1 3.75Å; F212-Y226 AromaticContact CZ-CD1 3.72Å; F212-Y226 HydrophobicContact CZ-CD1 3.72Å; F212-Y226 HydrophobicContact CZ-CG 4.43Å; F212-R229 HydrophobicContact CB-CG 4.07Å; F212-R229 HydrophobicContact CD1-CB 4.18Å; F212-R229 HydrophobicContact CD1-CG 3.9Å; F212-R229 HydrophobicContact CG-CG 4.34Å
213	K	98.1	Very high	96.7	Very high	34 Å²	34	68.8 Å²	68.8	15%	0.148	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-73	157.9	170.8	-63.3	-170.3	175	-171.8	0	111.1	E94 D95 R229 H230 C231	E94-K213 VanDerWaalsContact CD-NZ 3.33Å; E94-K213 WeakPolarHBondContact OE1-CE 3.44Å; E94-K213 IonicContact OE1-NZ 2.64Å; E94-K213 PolarHBondContact OE1-NZ 2.96Å; D95-K213 WeakPolarHBondContact OD1-CD 3.25Å; D95-K213 WeakPolarHBondContact OD1-CE 3.45Å; D95-K213 IonicContact OD1-NZ 3.82Å; D95-K213 PolarHBondContact OD1-NZ 3.12Å; D95-K213 IonicContact OD2-NZ 2.71Å; D95-K213 PolarHBondContact OD2-NZ 3.28Å; K213-R229 WeakPolarHBondContact O-CD 3.4Å; K213-R229 PolarHBondContact O-NH1 3.03Å; K213-H230 HydrophobicContact CB-CB 4.45Å; K213-H230 VanDerWaalsContact CB-O 3.31Å; K213-H230 WeakPolarHBondContact CB-O 3.44Å; K213-H230 HydrophobicContact CD-CB 4.16Å; K213-H230 PolarHBondContact N-O 3.39Å; K213-C231 VanDerWaalsContact CE-O 3.25Å; K213-C231 WeakPolarHBondContact CE-O 3.34Å
214	K	97	Very high	96.7	Very high	191 Å²	191	74 Å²	74	83%	0.83	36%	0.359	S	S	*	.	P	Polyproline II helix	trans	-60.8	138.3	167	-169.9	178.7	-179.8	176.7	0	109.8
215	P	94.9	Very high	96.6	Very high	32 Å²	32	74.2 Å²	74.2	21%	0.208	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-63.4	149.9	175.8	25.7	-33.7	0	0	0	111.6	G217 Y223	P215-G217 PolarHBondContact O-N 3.14Å; P215-Y223 HydrophobicContact CB-CD2 3.78Å; P215-Y223 HydrophobicContact CB-CE2 4.36Å; P215-Y223 HydrophobicContact CG-CD2 3.63Å; P215-Y223 HydrophobicContact CG-CE2 3.71Å
216	K	91.6	Very high	96.6	Very high	178 Å²	178	75.5 Å²	75.5	77%	0.774	37%	0.369	S	S	*	.	S	Bend	trans	-63.8	-25.9	-178.4	-65.5	-178	-178.2	175.9	0	112.9	S220	K216-S220 PolarHBondContact N-OG 3.46Å
217	G	93.5	Very high	96.6	Very high	33 Å²	33	76.2 Å²	76.2	34%	0.34	36%	0.364	S	S	.	.	S	Bend	trans	-169.4	173.9	177.6	0	0	0	0	0	112.3	P215 F219 S220	P215-G217 PolarHBondContact O-N 3.14Å; G217-F219 VanDerWaalsContact C-N 3.27Å; G217-F219 PolarHBondContact O-N 3Å; G217-S220 PolarHBondContact N-OG 3.01Å; G217-S220 PolarHBondContact O-N 3.25Å; G217-S220 PolarHBondContact O-OG 2.97Å
218	R	93.6	Very high	96.6	Very high	213 Å²	213	75.3 Å²	75.3	80%	0.804	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-32.5	-176.4	-65.3	-176.5	-178.7	176.4	0	113.8	Y223	R218-Y223 WeakPolarHBondContact O-CD2 3.45Å
219	F	96.2	Very high	96.6	Very high	209 Å²	209	75.8 Å²	75.8	92%	0.917	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.6	45.9	179.4	-59.4	-80.1	0	0	0	110.7	G217	G217-F219 VanDerWaalsContact C-N 3.27Å; G217-F219 PolarHBondContact O-N 3Å
220	S	96.5	Very high	96.6	Very high	28 Å²	28	78.5 Å²	78.5	20%	0.196	38%	0.38	C	S	.	.			trans	-92.4	147.4	176.5	55.5	0	0	0	0	111.3	K216 G217 G222 Y223	K216-S220 PolarHBondContact N-OG 3.46Å; G217-S220 PolarHBondContact N-OG 3.01Å; G217-S220 PolarHBondContact O-N 3.25Å; G217-S220 PolarHBondContact O-OG 2.97Å; S220-G222 PolarHBondContact O-N 3.43Å; S220-Y223 VanDerWaalsContact O-CB 3.28Å; S220-Y223 WeakPolarHBondContact O-CB 3.3Å; S220-Y223 PolarHBondContact O-N 3.49Å
221	I	97.4	Very high	96.7	Very high	146 Å²	146	77.2 Å²	77.2	75%	0.749	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	134.2	170.6	-60.2	-59.3	0	0	0	108.8	L228	I221-L228 HydrophobicContact CG2-CB 4.09Å; I221-L228 HydrophobicContact CG2-CD1 3.7Å; I221-L228 HydrophobicContact CG2-CG 4.47Å
222	G	96.3	Very high	96.7	Very high	5 Å²	5	80.1 Å²	80.1	5%	0.052	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.1	7.4	-171.8	0	0	0	0	0	115	S220 D225 R229	S220-G222 PolarHBondContact O-N 3.43Å; G222-D225 CarbonylContact C-O 3.59Å; G222-D225 VanDerWaalsContact CA-O 3.25Å; G222-D225 WeakPolarHBondContact CA-O 3.33Å; G222-R229 PolarHBondContact O-NE 2.77Å; G222-R229 PolarHBondContact O-NH2 3.46Å
223	Y	97.3	Very high	96.7	Very high	115 Å²	115	84.4 Å²	84.4	45%	0.451	41%	0.407	S	S	.	.	S	Bend	trans	-66.9	-49.1	176.2	-166.6	-85.4	0	0	0	112.6	P215 R218 S220 R229	P215-Y223 HydrophobicContact CB-CD2 3.78Å; P215-Y223 HydrophobicContact CB-CE2 4.36Å; P215-Y223 HydrophobicContact CG-CD2 3.63Å; P215-Y223 HydrophobicContact CG-CE2 3.71Å; R218-Y223 WeakPolarHBondContact O-CD2 3.45Å; S220-Y223 VanDerWaalsContact O-CB 3.28Å; S220-Y223 WeakPolarHBondContact O-CB 3.3Å; S220-Y223 PolarHBondContact O-N 3.49Å; Y223-R229 PolarHBondContact O-NH2 3.02Å
224	C	96.8	Very high	96.7	Very high	112 Å²	112	83.3 Å²	83.3	76%	0.757	40%	0.403	S	S	*	.	S	Bend	trans	-95.4	-42.7	179	-56.3	0	0	0	0	112.3	Y226	C224-Y226 WeakPolarHBondContact O-CD2 3.04Å
225	D	97.3	Very high	96.7	Very high	79 Å²	79	76.3 Å²	76.3	42%	0.422	38%	0.378	S	S	.	.			trans	-88.4	113.2	179.8	-176.2	-6.8	0	0	0	110.3	G222 D227 L228	G222-D225 CarbonylContact C-O 3.59Å; G222-D225 VanDerWaalsContact CA-O 3.25Å; G222-D225 WeakPolarHBondContact CA-O 3.33Å; D225-D227 VanDerWaalsContact C-N 3.31Å; D225-D227 WeakPolarHBondContact OD1-CB 3.44Å; D225-D227 PolarHBondContact OD1-N 2.95Å; D225-L228 HydrophobicContact CB-CD1 4.48Å; D225-L228 PolarHBondContact O-N 2.84Å
226	Y	97.6	Very high	96.8	Very high	33 Å²	33	74.8 Å²	74.8	13%	0.129	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-81.8	-9.3	-175.3	-82.3	-121.3	0	0	0	112.9	R134 F212 C224 L228 R229	R134-Y226 VanDerWaalsContact CZ-OH 3.3Å; R134-Y226 PolarHBondContact NH2-OH 3.17Å; F212-Y226 HydrophobicContact CB-CD1 4.26Å; F212-Y226 HydrophobicContact CB-CE1 4.05Å; F212-Y226 AromaticContact CD1-CD1 3.61Å; F212-Y226 HydrophobicContact CD1-CD1 3.61Å; F212-Y226 HydrophobicContact CD1-CE1 4.28Å; F212-Y226 AromaticContact CD2-CD1 3.51Å; F212-Y226 HydrophobicContact CD2-CD1 3.51Å; F212-Y226 AromaticContact CD2-CE1 3.73Å; F212-Y226 HydrophobicContact CD2-CE1 3.73Å; F212-Y226 AromaticContact CE1-CD1 3.72Å; F212-Y226 HydrophobicContact CE1-CD1 3.72Å; F212-Y226 HydrophobicContact CE1-CG 4.39Å; F212-Y226 AromaticContact CE2-CD1 3.6Å; F212-Y226 HydrophobicContact CE2-CD1 3.6Å; F212-Y226 HydrophobicContact CE2-CE1 4.22Å; F212-Y226 AromaticContact CG-CD1 3.51Å; F212-Y226 HydrophobicContact CG-CD1 3.51Å; F212-Y226 AromaticContact CG-CE1 3.75Å; F212-Y226 HydrophobicContact CG-CE1 3.75Å; F212-Y226 AromaticContact CZ-CD1 3.72Å; F212-Y226 HydrophobicContact CZ-CD1 3.72Å; F212-Y226 HydrophobicContact CZ-CG 4.43Å; C224-Y226 WeakPolarHBondContact O-CD2 3.04Å; Y226-L228 PolarHBondContact O-N 2.95Å; Y226-R229 HydrophobicContact CD1-CB 4.35Å; Y226-R229 HydrophobicContact CD1-CG 4.4Å; Y226-R229 HydrophobicContact CG-CB 4.36Å; Y226-R229 PolarHBondContact O-N 3.23Å; Y226-R229 PolarHBondContact OH-NH1 3.06Å; Y226-R229 PolarHBondContact OH-NH2 2.98Å
227	D	97.1	Very high	97	Very high	47 Å²	47	67.7 Å²	67.7	25%	0.251	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-67.1	-24.7	167.1	-75.3	-36	0	0	0	111.5	T97 G98 S100 V103 D225	T97-D227 WeakPolarHBondContact CB-O 3.47Å; G98-D227 WeakPolarHBondContact CA-O 3.28Å; G98-D227 PolarHBondContact N-O 3.42Å; S100-D227 WeakPolarHBondContact CB-OD1 3.4Å; S100-D227 PolarHBondContact N-OD1 3.42Å; S100-D227 VanDerWaalsContact OG-CG 3.28Å; S100-D227 PolarHBondContact OG-OD1 3.1Å; S100-D227 PolarHBondContact OG-OD2 3.4Å; V103-D227 VanDerWaalsContact CG2-OD1 3.26Å; V103-D227 WeakPolarHBondContact CG2-OD1 3.16Å; D225-D227 VanDerWaalsContact C-N 3.31Å; D225-D227 WeakPolarHBondContact OD1-CB 3.44Å; D225-D227 PolarHBondContact OD1-N 2.95Å
228	L	97.6	Very high	97.1	Very high	83 Å²	83	66.2 Å²	66.2	44%	0.435	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-97.4	0.4	177.2	-55	177	0	0	0	112.5	I221 D225 Y226	I221-L228 HydrophobicContact CG2-CB 4.09Å; I221-L228 HydrophobicContact CG2-CD1 3.7Å; I221-L228 HydrophobicContact CG2-CG 4.47Å; D225-L228 HydrophobicContact CB-CD1 4.48Å; D225-L228 PolarHBondContact O-N 2.84Å; Y226-L228 PolarHBondContact O-N 2.95Å
229	R	97.8	Very high	97.1	Very high	13 Å²	13	59.3 Å²	59.3	5%	0.049	30%	0.299	C	S	.	.	S	Bend	trans	-84.2	136.2	179.8	-177.3	62.8	68	68	17.7	110.7	F212 K213 G222 Y223 Y226	F212-R229 HydrophobicContact CB-CG 4.07Å; F212-R229 HydrophobicContact CD1-CB 4.18Å; F212-R229 HydrophobicContact CD1-CG 3.9Å; F212-R229 HydrophobicContact CG-CG 4.34Å; K213-R229 WeakPolarHBondContact O-CD 3.4Å; K213-R229 PolarHBondContact O-NH1 3.03Å; G222-R229 PolarHBondContact O-NE 2.77Å; G222-R229 PolarHBondContact O-NH2 3.46Å; Y223-R229 PolarHBondContact O-NH2 3.02Å; Y226-R229 HydrophobicContact CD1-CB 4.35Å; Y226-R229 HydrophobicContact CD1-CG 4.4Å; Y226-R229 HydrophobicContact CG-CB 4.36Å; Y226-R229 PolarHBondContact O-N 3.23Å; Y226-R229 PolarHBondContact OH-NH1 3.06Å; Y226-R229 PolarHBondContact OH-NH2 2.98Å
230	H	98.2	Very high	96.9	Very high	58 Å²	58	50.8 Å²	50.8	27%	0.269	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-72.2	138.5	174.9	-62.8	54.3	0	0	0	110	D95 A96 K213	D95-H230 IonicContact OD1-CD2 2.76Å; A96-H230 CarbonylContact O-C 3.16Å; A96-H230 WeakPolarHBondContact O-CA 3.37Å; K213-H230 HydrophobicContact CB-CB 4.45Å; K213-H230 VanDerWaalsContact CB-O 3.31Å; K213-H230 WeakPolarHBondContact CB-O 3.44Å; K213-H230 HydrophobicContact CD-CB 4.16Å; K213-H230 PolarHBondContact N-O 3.39Å
231	C	98.4	Very high	96.4	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-103	153.6	179.9	-57.5	0	0	0	0	111.4	I92 D95 A96 Y211 K213	I92-C231 HydrophobicContact CG2-CB 3.57Å; D95-C231 WeakPolarHBondContact CA-O 3.37Å; D95-C231 PolarHBondContact N-O 3.33Å; A96-C231 WeakPolarHBondContact O-CB 3.42Å; A96-C231 PolarHBondContact O-N 3.46Å; A96-C231 PolarHBondContact O-SG 3.31Å; A96-C231 VanDerWaalsContact O-SG 3.4Å; Y211-C231 HydrophobicContact CD2-CB 4.17Å; Y211-C231 CarbonylContact O-C 3.54Å; Y211-C231 WeakPolarHBondContact O-CA 3.47Å; K213-C231 VanDerWaalsContact CE-O 3.25Å; K213-C231 WeakPolarHBondContact CE-O 3.34Å
232	H	98.4	Very high	94.9	Very high	61 Å²	61	50.8 Å²	50.8	28%	0.282	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-73.9	151.2	161.1	-72.5	-69.2	0	0	0	109.9	Y211 T234	Y211-H232 PolarHBondContact O-N 3.32Å; H232-T234 PolarHBondContact O-N 3.37Å
233	E	98.4	Very high	92.7	Very high	102 Å²	102	58.2 Å²	58.2	48%	0.477	29%	0.29	S	S	.	.	S	Bend	trans	-57.5	128.4	171.5	-168.5	179.3	-144.4	0	0	110.4	K91 I92 E94	K91-E233 WeakPolarHBondContact CE-OE1 3.47Å; K91-E233 IonicContact NZ-OE1 3.85Å; K91-E233 PolarHBondContact NZ-OE1 3.22Å; I92-E233 VanDerWaalsContact O-CA 3.28Å; I92-E233 WeakPolarHBondContact O-CA 3.28Å; I92-E233 WeakPolarHBondContact O-CG 3.38Å; E94-E233 HydrophobicContact CB-CB 4.22Å; E94-E233 PolarHBondContact OE2-N 3.16Å
234	T	98.3	Very high	90.2	Very high	12 Å²	12	55.4 Å²	55.4	7%	0.074	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	158.8	174.8	-170.5	0	0	0	0	110.8	I92 I205 G206 R207 Y211 H232	I92-T234 HydrophobicContact CB-CG2 3.91Å; I92-T234 HydrophobicContact CD1-CG2 3.84Å; I92-T234 HydrophobicContact CG1-CG2 4.18Å; I92-T234 PolarHBondContact N-O 3.36Å; I92-T234 PolarHBondContact O-N 2.77Å; I205-T234 HydrophobicContact CG2-CG2 4.37Å; G206-T234 WeakPolarHBondContact CA-OG1 3.32Å; G206-T234 PolarHBondContact N-OG1 3.31Å; R207-T234 PolarHBondContact N-OG1 3.41Å; Y211-T234 HydrophobicContact CG-CG2 4.32Å; H232-T234 PolarHBondContact O-N 3.37Å
235	S	97.6	Very high	87.3	Confident	44 Å²	44	57.6 Å²	57.6	31%	0.308	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	151.6	163.7	62.6	0	0	0	0	110.7	G206	G206-S235 PolarHBondContact N-O 2.9Å
236	V	97.7	Very high	84.3	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	118.4	166.9	-178.7	0	0	0	0	107.1	Q89 I90 I92 L104 I203 K204 I205 I238	Q89-V236 CarbonylContact C-O 3.57Å; Q89-V236 WeakPolarHBondContact CA-O 3.21Å; I90-V236 HydrophobicContact CB-CB 4.2Å; I90-V236 PolarHBondContact N-O 2.97Å; I90-V236 PolarHBondContact O-N 3.44Å; I92-V236 HydrophobicContact CD1-CG2 4.05Å; I92-V236 HydrophobicContact CG1-CG2 4.49Å; L104-V236 HydrophobicContact CD1-CG1 4.25Å; L104-V236 HydrophobicContact CD1-CG2 4.21Å; L104-V236 HydrophobicContact CD2-CG2 4.18Å; I203-V236 HydrophobicContact CG2-CG1 3.56Å; K204-V236 CarbonylContact O-C 3.53Å; K204-V236 WeakPolarHBondContact O-CA 3.21Å; I205-V236 HydrophobicContact CG1-CG1 4.13Å; I205-V236 HydrophobicContact CG1-CG2 4.19Å; I205-V236 HydrophobicContact CG2-CG2 4.13Å; V236-I238 HydrophobicContact CG1-CD1 4.11Å; V236-I238 HydrophobicContact CG1-CG1 4.27Å
237	D	95.7	Very high	81.3	Confident	29 Å²	29	68 Å²	68	16%	0.155	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	120.9	179.1	-69.1	-82.3	0	0	0	109.1	H87 Q89 K204 F239	H87-D237 IonicContact CE1-OD1 3.81Å; H87-D237 IonicContact NE2-OD1 2.65Å; H87-D237 PolarHBondContact NE2-OD1 3.48Å; H87-D237 VanDerWaalsContact NE2-OD1 3.09Å; Q89-D237 PolarHBondContact NE2-OD1 2.84Å; K204-D237 HydrophobicContact CB-CB 4.47Å; K204-D237 PolarHBondContact N-O 3.1Å; K204-D237 PolarHBondContact O-N 3.47Å; D237-F239 HydrophobicContact CB-CE2 3.59Å; D237-F239 HydrophobicContact CB-CZ 3.77Å
238	I	95.3	Very high	80.5	Confident	1 Å²	1	69 Å²	69	1%	0.005	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	131.3	-178.4	-61.5	118.4	0	0	0	109.4	Y86 H87 E88 I90 Y108 W201 I202 I203 V236	Y86-I238 HydrophobicContact CE1-CG2 4.21Å; H87-I238 VanDerWaalsContact CA-O 3.32Å; H87-I238 WeakPolarHBondContact CA-O 3.3Å; E88-I238 HydrophobicContact CB-CB 4.28Å; E88-I238 HydrophobicContact CB-CD1 4.37Å; E88-I238 HydrophobicContact CG-CD1 4.27Å; E88-I238 PolarHBondContact N-O 3.12Å; E88-I238 PolarHBondContact O-N 3.41Å; I90-I238 HydrophobicContact CD1-CD1 3.63Å; I90-I238 HydrophobicContact CG1-CD1 4.03Å; Y108-I238 HydrophobicContact CD1-CG2 4.12Å; Y108-I238 HydrophobicContact CE1-CG1 4.45Å; Y108-I238 HydrophobicContact CE1-CG2 3.65Å; Y108-I238 HydrophobicContact CE2-CD1 4.16Å; Y108-I238 HydrophobicContact CE2-CG1 4.08Å; Y108-I238 WeakPolarHBondContact OH-CD1 3.49Å; W201-I238 HydrophobicContact CE3-CG2 3.72Å; W201-I238 HydrophobicContact CZ3-CG2 3.78Å; I202-I238 CarbonylContact O-C 3.59Å; I202-I238 WeakPolarHBondContact O-CA 3.49Å; I203-I238 HydrophobicContact CG1-CG1 4.14Å; I203-I238 HydrophobicContact CG2-CG1 4.29Å; V236-I238 HydrophobicContact CG1-CD1 4.11Å; V236-I238 HydrophobicContact CG1-CG1 4.27Å
239	F	92.8	Very high	79.6	Confident	68 Å²	68	68.3 Å²	68.3	30%	0.298	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	159	178	-50.8	-88.7	0	0	0	110	H87 I202 K204 D237	H87-F239 HydrophobicContact CB-CD1 4.43Å; H87-F239 HydrophobicContact CB-CE1 4.48Å; H87-F239 AromaticContact CD2-CD1 3.9Å; H87-F239 AromaticContact CD2-CE1 3.4Å; H87-F239 VanDerWaalsContact CD2-CE1 3.4Å; H87-F239 WeakPolarHBondContact CD2-CE1 3.45Å; H87-F239 AromaticContact CD2-CZ 3.83Å; H87-F239 AromaticContact NE2-CE1 4Å; I202-F239 HydrophobicContact CB-CB 4.31Å; I202-F239 PolarHBondContact N-O 3.34Å; I202-F239 PolarHBondContact O-N 3.06Å; K204-F239 HydrophobicContact CD-CE2 4.09Å; K204-F239 HydrophobicContact CG-CE2 4.2Å; D237-F239 HydrophobicContact CB-CE2 3.59Å; D237-F239 HydrophobicContact CB-CZ 3.77Å
240	H	91.7	Very high	78.6	Confident	31 Å²	31	71.3 Å²	71.3	14%	0.144	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	128.7	169.6	-168.6	-76	0	0	0	110.1	K81 Y86 N199 G200 W201	K81-H240 HydrophobicContact CG-CB 3.91Å; Y86-H240 HydrophobicContact CD1-CB 4.49Å; Y86-H240 HydrophobicContact CG-CB 4.32Å; N199-H240 PolarHBondContact O-NE2 3.17Å; G200-H240 WeakPolarHBondContact O-CA 3.47Å; W201-H240 AromaticContact CD2-CD2 3.63Å; W201-H240 AromaticContact CE2-CD2 3.75Å; W201-H240 HydrophobicContact CE3-CB 3.97Å; W201-H240 AromaticContact CE3-CD2 3.81Å; W201-H240 HydrophobicContact CZ3-CB 3.96Å
241	T	86.1	Confident	77.4	Confident	48 Å²	48	72.1 Å²	72.1	29%	0.294	37%	0.365	S	S	.	.			trans	-109.9	134	176.3	59.5	0	0	0	0	110.2	G200 I202 H243	G200-T241 WeakPolarHBondContact CA-O 3.28Å; G200-T241 PolarHBondContact O-N 3.48Å; G200-T241 PolarHBondContact O-OG1 3.18Å; I202-T241 HydrophobicContact CD1-CG2 3.47Å; I202-T241 VanDerWaalsContact CD1-CG2 3.47Å; I202-T241 HydrophobicContact CG1-CG2 4.32Å; T241-H243 VanDerWaalsContact C-N 3.28Å
242	K	67.8	Low	76.1	Confident	126 Å²	126	76.6 Å²	76.6	55%	0.548	39%	0.388	S	S	.	.	S	Bend	trans	-72	-26.3	172.7	-111.2	178.5	167.4	167.6	0	112.3	E82	E82-K242 WeakPolarHBondContact O-CE 3.05Å; E82-K242 PolarHBondContact O-NZ 3.47Å
243	H	49.3	Very low	74.6	Confident	161 Å²	161	77.7 Å²	77.7	75%	0.745	40%	0.395	S	S	*	.			trans	-114.5	89.3	-178.4	-59.9	-57.6	0	0	0	107.9	T241 K245	T241-H243 VanDerWaalsContact C-N 3.28Å; H243-K245 VanDerWaalsContact C-N 3.27Å; H243-K245 PolarHBondContact O-N 3.24Å
244	T	44.1	Very low	72.9	Confident	56 Å²	56	75.9 Å²	75.9	34%	0.344	39%	0.39	S	S	.	.			trans	-57.1	104.3	154	32.2	0	0	0	0	105.6	T246	T244-T246 VanDerWaalsContact C-N 3.35Å; T244-T246 PolarHBondContact O-N 3.17Å
245	K	36	Very low	71	Confident	158 Å²	158	80.8 Å²	80.8	69%	0.687	41%	0.414	S	S	*	.			trans	-52.2	111.1	164.5	-86.5	-176.9	176.6	177.7	0	105.2	R196 H243 L247	R196-K245 PolarHBondContact NH2-O 3.31Å; H243-K245 VanDerWaalsContact C-N 3.27Å; H243-K245 PolarHBondContact O-N 3.24Å; K245-L247 HydrophobicContact CB-CG 4.46Å; K245-L247 PolarHBondContact O-N 2.92Å
246	T	33.8	Very low	68.8	Low	145 Å²	145	83.9 Å²	83.9	89%	0.89	42%	0.423	S	S	*	.			trans	-56.2	96.5	152.1	-14.1	0	0	0	0	103.9	T244	T244-T246 VanDerWaalsContact C-N 3.35Å; T244-T246 PolarHBondContact O-N 3.17Å
247	L	35	Very low	66.1	Low	184 Å²	184	91.5 Å²	91.5	96%	0.963	46%	0.461	S	S	*	.			trans	-80.2	0	164.1	-82	166.9	0	0	0	107	K245	K245-L247 HydrophobicContact CB-CG 4.46Å; K245-L247 PolarHBondContact O-N 2.92Å

Retrieved 247 of 247 residues in 223 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).