A0A077Z409_TRITR Loading...

Putative GTP diphosphokinase RSH1, chloroplastic

AlphaFold DB , UniProt , Accession A0A077Z409, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 644 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	74.1	Confident	89	Confident	69 Å²	69	63.2 Å²	63.2	34%	0.34	30%	0.302	S	S	.	.				0	-31.2	0	-68.2	-171.1	-76.2	0	0	114.9	L3 A80 I120 M275	M1-L3 VanDerWaalsContact C-N 3.33Å; M1-L3 HydrophobicContact CB-CD1 4.12Å; M1-L3 HydrophobicContact CB-CD2 4.1Å; M1-L3 HydrophobicContact CB-CG 3.77Å; M1-L3 HydrophobicContact CE-CD1 4.24Å; M1-L3 PolarHBondContact O-N 2.76Å; M1-L3 HydrophobicContact SD-CD1 4.32Å; M1-A80 HydrophobicContact CE-CB 4.07Å; M1-I120 HydrophobicContact CE-CD1 4.08Å; M1-I120 HydrophobicContact SD-CD1 3.74Å; M1-M275 HydrophobicContact CB-CE 3.97Å; M1-M275 HydrophobicContact CG-CE 3.67Å
2	K	80	Confident	89.4	Confident	174 Å²	174	70.3 Å²	70.3	76%	0.757	34%	0.342	S	S	*	.			trans	54.2	46.5	-178.9	-59.4	-174	178.1	-175	0	112.7	A282	K2-A282 HydrophobicContact CB-CB 4.26Å; K2-A282 HydrophobicContact CD-CB 4.2Å
3	L	84.6	Confident	89.8	Confident	21 Å²	21	66.8 Å²	66.8	11%	0.11	33%	0.326	C	S	.	.			trans	-76.5	164.4	178.1	-56.4	175.9	0	0	0	110.4	M1 T7 L76 A278 W281	M1-L3 VanDerWaalsContact C-N 3.33Å; M1-L3 HydrophobicContact CB-CD1 4.12Å; M1-L3 HydrophobicContact CB-CD2 4.1Å; M1-L3 HydrophobicContact CB-CG 3.77Å; M1-L3 HydrophobicContact CE-CD1 4.24Å; M1-L3 PolarHBondContact O-N 2.76Å; M1-L3 HydrophobicContact SD-CD1 4.32Å; L3-T7 HydrophobicContact CB-CG2 4.02Å; L3-T7 HydrophobicContact CD1-CG2 3.61Å; L3-T7 HydrophobicContact CG-CG2 4.39Å; L3-L76 HydrophobicContact CD1-CB 4.11Å; L3-L76 HydrophobicContact CD1-CD1 4.12Å; L3-L76 HydrophobicContact CD2-CD1 3.77Å; L3-A278 HydrophobicContact CD2-CB 4.1Å; L3-W281 HydrophobicContact CD2-CB 4.5Å; L3-W281 HydrophobicContact CD2-CD2 4.22Å; L3-W281 HydrophobicContact CD2-CE3 3.93Å; L3-W281 HydrophobicContact CD2-CG 4.48Å; L3-W281 HydrophobicContact CD2-CZ3 4.46Å
4	D	88.4	Confident	89.8	Confident	19 Å²	19	64.5 Å²	64.5	10%	0.102	31%	0.314	C	S	.	.			trans	-62.8	160.3	175.5	58.3	-100.3	0	0	0	112.8	E6 T7 L8 R73 W281	D4-E6 VanDerWaalsContact C-N 3.29Å; D4-E6 PolarHBondContact O-N 2.79Å; D4-E6 WeakPolarHBondContact OD2-CB 3.34Å; D4-E6 PolarHBondContact OD2-N 3.28Å; D4-T7 WeakPolarHBondContact O-CB 3.5Å; D4-T7 PolarHBondContact O-N 3.43Å; D4-T7 PolarHBondContact OD1-OG1 2.99Å; D4-T7 VanDerWaalsContact OD1-OG1 3.09Å; D4-T7 PolarHBondContact OD2-N 3.41Å; D4-T7 PolarHBondContact OD2-OG1 3.33Å; D4-L8 WeakPolarHBondContact O-CG 3.36Å; D4-L8 PolarHBondContact O-N 3.01Å; D4-L8 VanDerWaalsContact O-N 3.14Å; D4-R73 IonicContact OD1-NH1 2.63Å; D4-R73 IonicContact OD2-NH1 3.58Å; D4-R73 PolarHBondContact OD2-NH1 3.39Å; D4-W281 PolarHBondContact OD1-NE1 3.16Å
5	Y	91.8	Very high	89.8	Confident	155 Å²	155	63.5 Å²	63.5	61%	0.608	31%	0.31	S	S	*	.	H	α-helix	trans	-61.8	-34	-175.4	70.3	-91.9	0	0	0	112.8	T7 L8 M9	Y5-T7 VanDerWaalsContact C-N 3.34Å; Y5-T7 PolarHBondContact O-N 3.3Å; Y5-L8 PolarHBondContact O-N 2.98Å; Y5-M9 HydrophobicContact CD2-CE 3.83Å; Y5-M9 HydrophobicContact CD2-SD 4.04Å; Y5-M9 HydrophobicContact CE2-CE 4.5Å; Y5-M9 VanDerWaalsContact O-CG 3.31Å; Y5-M9 WeakPolarHBondContact O-CG 3.39Å; Y5-M9 PolarHBondContact O-N 3.3Å
6	E	92.9	Very high	89.9	Confident	50 Å²	50	61.8 Å²	61.8	23%	0.234	30%	0.304	C	S	.	.	H	α-helix	trans	-64.5	-41.3	177.6	-58	-178.8	134.2	0	0	110.8	D4 L8 M9 A10 S34 V35 R73	D4-E6 VanDerWaalsContact C-N 3.29Å; D4-E6 PolarHBondContact O-N 2.79Å; D4-E6 WeakPolarHBondContact OD2-CB 3.34Å; D4-E6 PolarHBondContact OD2-N 3.28Å; E6-L8 VanDerWaalsContact C-N 3.32Å; E6-L8 PolarHBondContact O-N 3.38Å; E6-M9 PolarHBondContact O-N 2.86Å; E6-A10 WeakPolarHBondContact O-CB 3.38Å; E6-A10 PolarHBondContact O-N 3.2Å; E6-S34 PolarHBondContact OE2-OG 2.61Å; E6-V35 HydrophobicContact CB-CG2 3.96Å; E6-V35 HydrophobicContact CG-CG2 4.36Å; E6-R73 IonicContact OE2-CZ 3.16Å; E6-R73 IonicContact OE2-NH1 3.76Å; E6-R73 PolarHBondContact OE2-NH1 2.9Å
7	T	92.1	Very high	89.8	Confident	2 Å²	2	59.5 Å²	59.5	1%	0.012	29%	0.294	C	S	.	.	H	α-helix	trans	-63.4	-39.9	175.2	-49	0	0	0	0	111.7	L3 D4 Y5 A10 A11 R73 I77	L3-T7 HydrophobicContact CB-CG2 4.02Å; L3-T7 HydrophobicContact CD1-CG2 3.61Å; L3-T7 HydrophobicContact CG-CG2 4.39Å; D4-T7 WeakPolarHBondContact O-CB 3.5Å; D4-T7 PolarHBondContact O-N 3.43Å; D4-T7 PolarHBondContact OD1-OG1 2.99Å; D4-T7 VanDerWaalsContact OD1-OG1 3.09Å; D4-T7 PolarHBondContact OD2-N 3.41Å; D4-T7 PolarHBondContact OD2-OG1 3.33Å; Y5-T7 VanDerWaalsContact C-N 3.34Å; Y5-T7 PolarHBondContact O-N 3.3Å; T7-A10 PolarHBondContact O-N 2.91Å; T7-A11 WeakPolarHBondContact O-CB 3.28Å; T7-A11 PolarHBondContact O-N 3.41Å; T7-R73 HydrophobicContact CG2-CB 4.21Å; T7-R73 HydrophobicContact CG2-CG 4.48Å; T7-R73 WeakPolarHBondContact OG1-CD 3.44Å; T7-I77 HydrophobicContact CG2-CD1 4.14Å; T7-I77 HydrophobicContact CG2-CG1 3.92Å
8	L	93.9	Very high	89.5	Confident	96 Å²	96	58.7 Å²	58.7	50%	0.503	29%	0.289	S	S	.	.	H	α-helix	trans	-67.8	-41	177.5	-64.1	177	0	0	0	111.6	D4 Y5 E6 A11 L12	D4-L8 WeakPolarHBondContact O-CG 3.36Å; D4-L8 PolarHBondContact O-N 3.01Å; D4-L8 VanDerWaalsContact O-N 3.14Å; Y5-L8 PolarHBondContact O-N 2.98Å; E6-L8 VanDerWaalsContact C-N 3.32Å; E6-L8 PolarHBondContact O-N 3.38Å; L8-A11 PolarHBondContact O-N 2.63Å; L8-L12 WeakPolarHBondContact O-CG 3.35Å; L8-L12 PolarHBondContact O-N 2.95Å; L8-L12 VanDerWaalsContact O-N 3.12Å
9	M	94.6	Very high	89.4	Confident	73 Å²	73	62.4 Å²	62.4	36%	0.36	31%	0.31	S	S	.	.	H	α-helix	trans	-59.8	-50.2	172.5	-71.4	173.8	180	0	0	110.6	Y5 E6 A11 L12 L13 F31 V35	Y5-M9 HydrophobicContact CD2-CE 3.83Å; Y5-M9 HydrophobicContact CD2-SD 4.04Å; Y5-M9 HydrophobicContact CE2-CE 4.5Å; Y5-M9 VanDerWaalsContact O-CG 3.31Å; Y5-M9 WeakPolarHBondContact O-CG 3.39Å; Y5-M9 PolarHBondContact O-N 3.3Å; E6-M9 PolarHBondContact O-N 2.86Å; M9-A11 VanDerWaalsContact C-N 3.3Å; M9-A11 PolarHBondContact O-N 3.48Å; M9-L12 PolarHBondContact O-N 3.28Å; M9-L12 VanDerWaalsContact O-N 3.15Å; M9-L13 VanDerWaalsContact O-CG 3.27Å; M9-L13 WeakPolarHBondContact O-CG 3.41Å; M9-L13 PolarHBondContact O-N 3.16Å; M9-L13 VanDerWaalsContact O-N 3.07Å; M9-F31 HydrophobicContact SD-CD1 4.31Å; M9-V35 HydrophobicContact CB-CG1 4.17Å; M9-V35 HydrophobicContact CB-CG2 4.25Å; M9-V35 HydrophobicContact SD-CG2 4.37Å
10	A	93.6	Very high	89.5	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-61.5	-36.5	178.2	0	0	0	0	0	112.6	E6 T7 L12 L13 H14 V35 L38 V39 I77	E6-A10 WeakPolarHBondContact O-CB 3.38Å; E6-A10 PolarHBondContact O-N 3.2Å; T7-A10 PolarHBondContact O-N 2.91Å; A10-L12 PolarHBondContact O-N 3.45Å; A10-L13 CarbonylContact O-C 3.54Å; A10-L13 PolarHBondContact O-N 3.39Å; A10-H14 WeakPolarHBondContact O-CA 3.22Å; A10-H14 WeakPolarHBondContact O-CB 3.27Å; A10-H14 PolarHBondContact O-N 3.26Å; A10-V35 HydrophobicContact CB-CG1 4.25Å; A10-L38 HydrophobicContact CB-CB 3.56Å; A10-L38 HydrophobicContact CB-CD1 3.9Å; A10-L38 HydrophobicContact CB-CG 4.39Å; A10-V39 HydrophobicContact CB-CG2 3.97Å; A10-I77 HydrophobicContact CB-CD1 3.61Å
11	A	92.9	Very high	89.6	Confident	36 Å²	36	65.8 Å²	65.8	30%	0.298	34%	0.34	S	S	.	.	H	α-helix	trans	-64.8	-37.2	175.5	0	0	0	0	0	112.8	T7 L8 M9 L13 H14 I77	T7-A11 WeakPolarHBondContact O-CB 3.28Å; T7-A11 PolarHBondContact O-N 3.41Å; L8-A11 PolarHBondContact O-N 2.63Å; M9-A11 VanDerWaalsContact C-N 3.3Å; M9-A11 PolarHBondContact O-N 3.48Å; A11-L13 VanDerWaalsContact C-N 3.29Å; A11-H14 PolarHBondContact O-ND1 3.11Å; A11-I77 HydrophobicContact CB-CG1 4.27Å; A11-I77 HydrophobicContact CB-CG2 4.24Å
12	L	94.5	Very high	90.5	Very high	149 Å²	149	63.7 Å²	63.7	78%	0.78	33%	0.333	S	S	*	.	H	α-helix	trans	-68.6	-31.6	173.8	-70.9	170.8	0	0	0	112.1	L8 M9 A10	L8-L12 WeakPolarHBondContact O-CG 3.35Å; L8-L12 PolarHBondContact O-N 2.95Å; L8-L12 VanDerWaalsContact O-N 3.12Å; M9-L12 PolarHBondContact O-N 3.28Å; M9-L12 VanDerWaalsContact O-N 3.15Å; A10-L12 PolarHBondContact O-N 3.45Å
13	L	94	Very high	91.1	Very high	25 Å²	25	58.3 Å²	58.3	13%	0.131	32%	0.315	C	S	.	.	H	α-helix	trans	-97.7	1.1	-174.2	-61.2	170.7	0	0	0	114	M9 A10 A11 D15 V16 M27 F31 V35 V39	M9-L13 VanDerWaalsContact O-CG 3.27Å; M9-L13 WeakPolarHBondContact O-CG 3.41Å; M9-L13 PolarHBondContact O-N 3.16Å; M9-L13 VanDerWaalsContact O-N 3.07Å; A10-L13 CarbonylContact O-C 3.54Å; A10-L13 PolarHBondContact O-N 3.39Å; A11-L13 VanDerWaalsContact C-N 3.29Å; L13-D15 VanDerWaalsContact C-N 3.28Å; L13-D15 PolarHBondContact O-N 3.07Å; L13-D15 VanDerWaalsContact O-N 3.1Å; L13-V16 HydrophobicContact CB-CG2 4.22Å; L13-V16 HydrophobicContact CD2-CG2 3.97Å; L13-V16 VanDerWaalsContact O-CB 3.26Å; L13-V16 WeakPolarHBondContact O-CB 3.45Å; L13-V16 WeakPolarHBondContact O-CG2 3.29Å; L13-V16 PolarHBondContact O-N 3.24Å; L13-M27 HydrophobicContact CB-SD 4.47Å; L13-M27 HydrophobicContact CD1-SD 4.05Å; L13-M27 HydrophobicContact CD2-SD 4.47Å; L13-F31 HydrophobicContact CD1-CD1 4.13Å; L13-F31 HydrophobicContact CD1-CD2 3.57Å; L13-F31 HydrophobicContact CD1-CE1 4.11Å; L13-F31 HydrophobicContact CD1-CE2 3.56Å; L13-F31 HydrophobicContact CD1-CG 3.87Å; L13-F31 HydrophobicContact CD1-CZ 3.83Å; L13-F31 HydrophobicContact CD2-CE2 4.2Å; L13-F31 HydrophobicContact CD2-CZ 4.23Å; L13-V35 HydrophobicContact CD1-CG1 4.03Å; L13-V39 HydrophobicContact CB-CG2 3.72Å; L13-V39 WeakPolarHBondContact O-CG1 3.42Å
14	H	90.2	Very high	91.4	Very high	34 Å²	34	59.9 Å²	59.9	16%	0.157	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-33.6	-162.7	73.2	-75.7	0	0	0	115.3	A10 A11 V42 S43 I77 D81	A10-H14 WeakPolarHBondContact O-CA 3.22Å; A10-H14 WeakPolarHBondContact O-CB 3.27Å; A10-H14 PolarHBondContact O-N 3.26Å; A11-H14 PolarHBondContact O-ND1 3.11Å; H14-V42 HydrophobicContact CB-CB 4.41Å; H14-V42 HydrophobicContact CB-CG1 3.88Å; H14-S43 PolarHBondContact O-OG 2.99Å; H14-I77 HydrophobicContact CB-CG2 3.98Å; H14-D81 IonicContact NE2-OD1 3.83Å
15	D	89.4	Confident	91.7	Very high	49 Å²	49	66 Å²	66	26%	0.262	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	1	178	-71.5	-17	0	0	0	113	L13 I17 E18 D19	L13-D15 VanDerWaalsContact C-N 3.28Å; L13-D15 PolarHBondContact O-N 3.07Å; L13-D15 VanDerWaalsContact O-N 3.1Å; D15-I17 PolarHBondContact O-N 3.21Å; D15-E18 WeakPolarHBondContact O-CA 3.44Å; D15-E18 WeakPolarHBondContact O-CB 3.31Å; D15-E18 PolarHBondContact O-N 3.41Å; D15-D19 PolarHBondContact O-N 3.18Å
16	V	92	Very high	91.8	Very high	36 Å²	36	61.6 Å²	61.6	22%	0.218	34%	0.335	C	S	.	.	H	α-helix	trans	-65.7	-42	-172.8	172.1	0	0	0	0	111.9	L13 E18 T20 A22 M27	L13-V16 HydrophobicContact CB-CG2 4.22Å; L13-V16 HydrophobicContact CD2-CG2 3.97Å; L13-V16 VanDerWaalsContact O-CB 3.26Å; L13-V16 WeakPolarHBondContact O-CB 3.45Å; L13-V16 WeakPolarHBondContact O-CG2 3.29Å; L13-V16 PolarHBondContact O-N 3.24Å; V16-E18 PolarHBondContact O-N 3.41Å; V16-T20 HydrophobicContact CG1-CG2 4.36Å; V16-T20 WeakPolarHBondContact CG1-OG1 3.29Å; V16-T20 WeakPolarHBondContact O-CB 3.49Å; V16-T20 PolarHBondContact O-N 2.88Å; V16-T20 VanDerWaalsContact O-N 3.13Å; V16-T20 PolarHBondContact O-OG1 3.09Å; V16-A22 HydrophobicContact CG1-CB 3.88Å; V16-M27 HydrophobicContact CG1-CE 3.8Å; V16-M27 HydrophobicContact CG1-SD 4.44Å
17	I	88.4	Confident	91.8	Very high	24 Å²	24	59.6 Å²	59.6	12%	0.123	33%	0.326	C	S	.	.	H	α-helix	trans	-65.7	-20.7	175.5	-63.1	-179.6	0	0	0	111.1	D15 M27 V39 K47	D15-I17 PolarHBondContact O-N 3.21Å; I17-M27 HydrophobicContact CD1-CG 4.04Å; I17-M27 HydrophobicContact CG1-CG 4.07Å; I17-V39 HydrophobicContact CD1-CB 4.34Å; I17-V39 HydrophobicContact CD1-CG1 3.65Å; I17-V39 HydrophobicContact CG1-CG1 3.83Å; I17-K47 PolarHBondContact O-NZ 3.2Å
18	E	83.1	Confident	92	Very high	45 Å²	45	63.1 Å²	63.1	21%	0.21	34%	0.342	C	S	.	.	H	α-helix	trans	-88.2	-50.6	-179.9	-55.6	-142	160.2	0	0	114.1	D15 V16 S43 D46 K47	D15-E18 WeakPolarHBondContact O-CA 3.44Å; D15-E18 WeakPolarHBondContact O-CB 3.31Å; D15-E18 PolarHBondContact O-N 3.41Å; V16-E18 PolarHBondContact O-N 3.41Å; E18-S43 WeakPolarHBondContact OE1-CA 3.29Å; E18-S43 WeakPolarHBondContact OE1-CB 3.46Å; E18-D46 WeakPolarHBondContact OE1-CB 3.38Å; E18-D46 VanDerWaalsContact OE2-CB 3.29Å; E18-D46 WeakPolarHBondContact OE2-CB 3.24Å; E18-K47 HydrophobicContact CG-CD 4.42Å
19	D	88.2	Confident	92	Very high	129 Å²	129	66.4 Å²	66.4	69%	0.69	36%	0.355	S	S	*	.	H	α-helix	trans	-96.5	-5.3	-166.9	-73.8	-14.2	0	0	0	112.5	D15	D15-D19 PolarHBondContact O-N 3.18Å
20	T	91.4	Very high	92.1	Very high	63 Å²	63	68.8 Å²	68.8	39%	0.387	37%	0.369	S	S	.	.	S	Bend	trans	-130.5	166.2	-179.1	84	0	0	0	0	112.1	V16 A22	V16-T20 HydrophobicContact CG1-CG2 4.36Å; V16-T20 WeakPolarHBondContact CG1-OG1 3.29Å; V16-T20 WeakPolarHBondContact O-CB 3.49Å; V16-T20 PolarHBondContact O-N 2.88Å; V16-T20 VanDerWaalsContact O-N 3.13Å; V16-T20 PolarHBondContact O-OG1 3.09Å; T20-A22 PolarHBondContact O-N 3.41Å; T20-A22 WeakPolarHBondContact OG1-CB 3.08Å; T20-A22 PolarHBondContact OG1-N 3.06Å
21	P	91.8	Very high	92.1	Very high	133 Å²	133	72.8 Å²	72.8	86%	0.864	39%	0.386	S	S	*	.	S	Bend	trans	-67.7	-7	174.2	-20.2	33.6	0	0	0	115
22	A	92.6	Very high	92.2	Very high	24 Å²	24	72.5 Å²	72.5	20%	0.198	39%	0.387	C	S	.	.			trans	-66.1	143.3	-177.1	0	0	0	0	0	111.9	V16 T20 M27	V16-A22 HydrophobicContact CG1-CB 3.88Å; T20-A22 PolarHBondContact O-N 3.41Å; T20-A22 WeakPolarHBondContact OG1-CB 3.08Å; T20-A22 PolarHBondContact OG1-N 3.06Å; A22-M27 HydrophobicContact CB-CE 3.8Å
23	T	92.2	Very high	92.2	Very high	61 Å²	61	71.1 Å²	71.1	37%	0.374	38%	0.375	S	S	.	.			trans	-109.1	169.8	-175.7	69.2	0	0	0	0	111.7	Q25 D26 M27	T23-Q25 PolarHBondContact O-N 3.49Å; T23-Q25 PolarHBondContact OG1-N 3.3Å; T23-D26 WeakPolarHBondContact CB-OD2 3.48Å; T23-D26 PolarHBondContact N-OD2 3.01Å; T23-D26 PolarHBondContact O-N 3.27Å; T23-D26 VanDerWaalsContact OG1-CG 3.29Å; T23-D26 PolarHBondContact OG1-N 2.85Å; T23-D26 PolarHBondContact OG1-OD2 3.07Å; T23-M27 PolarHBondContact O-N 3.5Å
24	Y	91.9	Very high	92.1	Very high	55 Å²	55	71.2 Å²	71.2	22%	0.216	38%	0.377	C	S	.	.	H	α-helix	trans	-53.7	-41.4	169.8	176.2	-87.1	0	0	0	112.2	D26 M27 E28 A36 E37 E40	Y24-D26 VanDerWaalsContact C-N 3.32Å; Y24-D26 PolarHBondContact O-N 3.39Å; Y24-M27 PolarHBondContact O-N 3.26Å; Y24-E28 HydrophobicContact CE1-CB 4.25Å; Y24-E28 WeakPolarHBondContact CE1-OE2 3.29Å; Y24-E28 PolarHBondContact O-N 3.12Å; Y24-A36 HydrophobicContact CD2-CB 4.02Å; Y24-A36 HydrophobicContact CE1-CB 4.4Å; Y24-A36 HydrophobicContact CE2-CB 3.6Å; Y24-E37 HydrophobicContact CE2-CG 4.45Å; Y24-E40 HydrophobicContact CD2-CB 3.82Å; Y24-E40 HydrophobicContact CD2-CG 3.98Å; Y24-E40 HydrophobicContact CE2-CB 4.18Å
25	Q	94.4	Very high	92.3	Very high	147 Å²	147	69.7 Å²	69.7	69%	0.687	37%	0.37	S	S	*	.	H	α-helix	trans	-64.6	-38.3	-179.1	-68.2	178.5	-19.9	0	0	111.4	T23 M27 E28 Q29	T23-Q25 PolarHBondContact O-N 3.49Å; T23-Q25 PolarHBondContact OG1-N 3.3Å; Q25-M27 VanDerWaalsContact C-N 3.34Å; Q25-M27 PolarHBondContact O-N 2.85Å; Q25-E28 PolarHBondContact O-N 2.96Å; Q25-Q29 WeakPolarHBondContact O-CB 3.43Å; Q25-Q29 PolarHBondContact O-N 3.36Å
26	D	94.2	Very high	92.4	Very high	63 Å²	63	67.3 Å²	67.3	34%	0.337	36%	0.358	S	S	.	.	H	α-helix	trans	-63.3	-41.3	175.3	-57.4	-51.2	0	0	0	111.1	T23 Y24 L30	T23-D26 WeakPolarHBondContact CB-OD2 3.48Å; T23-D26 PolarHBondContact N-OD2 3.01Å; T23-D26 PolarHBondContact O-N 3.27Å; T23-D26 VanDerWaalsContact OG1-CG 3.29Å; T23-D26 PolarHBondContact OG1-N 2.85Å; T23-D26 PolarHBondContact OG1-OD2 3.07Å; Y24-D26 VanDerWaalsContact C-N 3.32Å; Y24-D26 PolarHBondContact O-N 3.39Å; D26-L30 WeakPolarHBondContact O-CB 3.39Å; D26-L30 VanDerWaalsContact O-CG 3.3Å; D26-L30 WeakPolarHBondContact O-CG 3.25Å; D26-L30 PolarHBondContact O-N 3.02Å; D26-L30 VanDerWaalsContact O-N 3.1Å
27	M	93.2	Very high	92.4	Very high	8 Å²	8	70 Å²	70	4%	0.039	37%	0.368	C	S	.	.	H	α-helix	trans	-66	-43.8	176.6	-63.9	-59.8	111.7	0	0	112	L13 V16 I17 A22 T23 Y24 Q25 Q29 L30 F31 A36	L13-M27 HydrophobicContact CB-SD 4.47Å; L13-M27 HydrophobicContact CD1-SD 4.05Å; L13-M27 HydrophobicContact CD2-SD 4.47Å; V16-M27 HydrophobicContact CG1-CE 3.8Å; V16-M27 HydrophobicContact CG1-SD 4.44Å; I17-M27 HydrophobicContact CD1-CG 4.04Å; I17-M27 HydrophobicContact CG1-CG 4.07Å; A22-M27 HydrophobicContact CB-CE 3.8Å; T23-M27 PolarHBondContact O-N 3.5Å; Y24-M27 PolarHBondContact O-N 3.26Å; Q25-M27 VanDerWaalsContact C-N 3.34Å; Q25-M27 PolarHBondContact O-N 2.85Å; M27-Q29 VanDerWaalsContact C-N 3.35Å; M27-L30 PolarHBondContact O-N 3.41Å; M27-F31 PolarHBondContact O-N 2.94Å; M27-F31 HydrophobicContact SD-CD2 4.22Å; M27-F31 HydrophobicContact SD-CE2 4.31Å; M27-A36 HydrophobicContact CB-CB 3.88Å
28	E	95.1	Very high	92.5	Very high	76 Å²	76	69 Å²	69	36%	0.355	36%	0.363	S	S	.	.	H	α-helix	trans	-63.9	-41.6	179.5	-179.4	170.3	-146.3	0	0	111.3	Y24 Q25 G32 K33 A36	Y24-E28 HydrophobicContact CE1-CB 4.25Å; Y24-E28 WeakPolarHBondContact CE1-OE2 3.29Å; Y24-E28 PolarHBondContact O-N 3.12Å; Q25-E28 PolarHBondContact O-N 2.96Å; E28-G32 WeakPolarHBondContact O-CA 3.49Å; E28-G32 PolarHBondContact O-N 3.13Å; E28-K33 HydrophobicContact CG-CB 4.31Å; E28-A36 HydrophobicContact CB-CB 3.84Å
29	Q	95.3	Very high	92.9	Very high	165 Å²	165	66.9 Å²	66.9	77%	0.771	35%	0.353	S	S	*	.	H	α-helix	trans	-67.6	-39.4	178.9	-174.3	177.4	-4.9	0	0	112.6	Q25 M27	Q25-Q29 WeakPolarHBondContact O-CB 3.43Å; Q25-Q29 PolarHBondContact O-N 3.36Å; M27-Q29 VanDerWaalsContact C-N 3.35Å
30	L	95.5	Very high	92.8	Very high	123 Å²	123	63.6 Å²	63.6	64%	0.644	33%	0.333	S	S	*	.	H	α-helix	trans	-87.5	-37.1	-174.5	-68	173.9	0	0	0	113.8	D26 M27	D26-L30 WeakPolarHBondContact O-CB 3.39Å; D26-L30 VanDerWaalsContact O-CG 3.3Å; D26-L30 WeakPolarHBondContact O-CG 3.25Å; D26-L30 PolarHBondContact O-N 3.02Å; D26-L30 VanDerWaalsContact O-N 3.1Å; M27-L30 PolarHBondContact O-N 3.41Å
31	F	95	Very high	92.5	Very high	83 Å²	83	61 Å²	61	36%	0.364	32%	0.319	S	S	.	.	H	α-helix	trans	-121.1	-5.3	-171.1	-58.7	-80.7	0	0	0	113.8	M9 L13 M27 V35	M9-F31 HydrophobicContact SD-CD1 4.31Å; L13-F31 HydrophobicContact CD1-CD1 4.13Å; L13-F31 HydrophobicContact CD1-CD2 3.57Å; L13-F31 HydrophobicContact CD1-CE1 4.11Å; L13-F31 HydrophobicContact CD1-CE2 3.56Å; L13-F31 HydrophobicContact CD1-CG 3.87Å; L13-F31 HydrophobicContact CD1-CZ 3.83Å; L13-F31 HydrophobicContact CD2-CE2 4.2Å; L13-F31 HydrophobicContact CD2-CZ 4.23Å; M27-F31 PolarHBondContact O-N 2.94Å; M27-F31 HydrophobicContact SD-CD2 4.22Å; M27-F31 HydrophobicContact SD-CE2 4.31Å; F31-V35 HydrophobicContact CB-CB 3.76Å; F31-V35 HydrophobicContact CB-CG1 3.71Å; F31-V35 HydrophobicContact CB-CG2 4.13Å; F31-V35 HydrophobicContact CG-CG1 4.35Å
32	G	94.3	Very high	92.1	Very high	31 Å²	31	54.7 Å²	54.7	32%	0.32	28%	0.278	S	S	.	.			trans	89.3	163	-178.5	0	0	0	0	0	113.7	E28 S34 V35 A36	E28-G32 WeakPolarHBondContact O-CA 3.49Å; E28-G32 PolarHBondContact O-N 3.13Å; G32-S34 PolarHBondContact O-N 3.19Å; G32-V35 PolarHBondContact O-N 3.34Å; G32-A36 PolarHBondContact O-N 3.25Å; G32-A36 VanDerWaalsContact O-N 3.16Å
33	K	93.7	Very high	91.4	Very high	120 Å²	120	53.7 Å²	53.7	52%	0.522	27%	0.27	S	S	.	.	H	α-helix	trans	-58.1	-43.4	-173.4	-175.1	175.8	174.3	-175.8	0	113.7	E28 V35 A36 E37	E28-K33 HydrophobicContact CG-CB 4.31Å; K33-V35 VanDerWaalsContact C-N 3.31Å; K33-V35 PolarHBondContact O-N 3.02Å; K33-A36 PolarHBondContact O-N 2.87Å; K33-E37 WeakPolarHBondContact CE-OE1 3.46Å; K33-E37 HydrophobicContact CG-CG 4.3Å; K33-E37 IonicContact NZ-OE1 2.71Å; K33-E37 WeakPolarHBondContact O-CG 3.24Å; K33-E37 PolarHBondContact O-N 3.13Å
34	S	91.9	Very high	90.2	Very high	27 Å²	27	55.8 Å²	55.8	19%	0.189	27%	0.274	C	S	.	.	H	α-helix	trans	-62	-39.2	-178.6	-172.7	0	0	0	0	112	E6 G32 L38 R73	E6-S34 PolarHBondContact OE2-OG 2.61Å; G32-S34 PolarHBondContact O-N 3.19Å; S34-L38 VanDerWaalsContact O-CG 3.25Å; S34-L38 WeakPolarHBondContact O-CG 3.43Å; S34-L38 PolarHBondContact O-N 3.22Å; S34-R73 PolarHBondContact OG-NH2 3.01Å
35	V	93.9	Very high	88.6	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.006	27%	0.267	C	S	.	.	H	α-helix	trans	-70.1	-42.3	178.3	177.8	0	0	0	0	110.1	E6 M9 A10 L13 F31 G32 K33 E37 L38 V39	E6-V35 HydrophobicContact CB-CG2 3.96Å; E6-V35 HydrophobicContact CG-CG2 4.36Å; M9-V35 HydrophobicContact CB-CG1 4.17Å; M9-V35 HydrophobicContact CB-CG2 4.25Å; M9-V35 HydrophobicContact SD-CG2 4.37Å; A10-V35 HydrophobicContact CB-CG1 4.25Å; L13-V35 HydrophobicContact CD1-CG1 4.03Å; F31-V35 HydrophobicContact CB-CB 3.76Å; F31-V35 HydrophobicContact CB-CG1 3.71Å; F31-V35 HydrophobicContact CB-CG2 4.13Å; F31-V35 HydrophobicContact CG-CG1 4.35Å; G32-V35 PolarHBondContact O-N 3.34Å; K33-V35 VanDerWaalsContact C-N 3.31Å; K33-V35 PolarHBondContact O-N 3.02Å; V35-E37 PolarHBondContact O-N 2.98Å; V35-L38 PolarHBondContact O-N 2.89Å; V35-V39 HydrophobicContact CG1-CG2 4.24Å; V35-V39 WeakPolarHBondContact O-CG2 3.39Å; V35-V39 PolarHBondContact O-N 2.9Å
36	A	92.6	Very high	86.7	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-59.7	-45	177.2	0	0	0	0	0	112.4	Y24 M27 E28 G32 K33 L38 V39 E40	Y24-A36 HydrophobicContact CD2-CB 4.02Å; Y24-A36 HydrophobicContact CE1-CB 4.4Å; Y24-A36 HydrophobicContact CE2-CB 3.6Å; M27-A36 HydrophobicContact CB-CB 3.88Å; E28-A36 HydrophobicContact CB-CB 3.84Å; G32-A36 PolarHBondContact O-N 3.25Å; G32-A36 VanDerWaalsContact O-N 3.16Å; K33-A36 PolarHBondContact O-N 2.87Å; A36-L38 VanDerWaalsContact C-N 3.34Å; A36-L38 PolarHBondContact O-N 3.32Å; A36-V39 PolarHBondContact O-N 3.26Å; A36-E40 VanDerWaalsContact O-CB 3.27Å; A36-E40 WeakPolarHBondContact O-CB 3.15Å; A36-E40 PolarHBondContact O-N 3.5Å
37	E	91.1	Very high	84.5	Confident	93 Å²	93	51.9 Å²	51.9	44%	0.435	26%	0.257	S	S	.	.	H	α-helix	trans	-62.2	-39.3	176.1	-72.6	178.6	160.4	0	0	112.2	Y24 K33 V35 G41	Y24-E37 HydrophobicContact CE2-CG 4.45Å; K33-E37 WeakPolarHBondContact CE-OE1 3.46Å; K33-E37 HydrophobicContact CG-CG 4.3Å; K33-E37 IonicContact NZ-OE1 2.71Å; K33-E37 WeakPolarHBondContact O-CG 3.24Å; K33-E37 PolarHBondContact O-N 3.13Å; V35-E37 PolarHBondContact O-N 2.98Å; E37-G41 PolarHBondContact O-N 3.39Å
38	L	90.8	Very high	82	Confident	2 Å²	2	55.2 Å²	55.2	1%	0.01	27%	0.274	C	S	.	.	H	α-helix	trans	-65.6	-49.3	175.7	-71	176.1	0	0	0	112.1	A10 S34 V35 A36 G41 V42 D71 R73 V74 I77	A10-L38 HydrophobicContact CB-CB 3.56Å; A10-L38 HydrophobicContact CB-CD1 3.9Å; A10-L38 HydrophobicContact CB-CG 4.39Å; S34-L38 VanDerWaalsContact O-CG 3.25Å; S34-L38 WeakPolarHBondContact O-CG 3.43Å; S34-L38 PolarHBondContact O-N 3.22Å; V35-L38 PolarHBondContact O-N 2.89Å; A36-L38 VanDerWaalsContact C-N 3.34Å; A36-L38 PolarHBondContact O-N 3.32Å; L38-G41 PolarHBondContact O-N 2.9Å; L38-V42 WeakPolarHBondContact O-CG2 3.28Å; L38-V42 PolarHBondContact O-N 3.48Å; L38-D71 HydrophobicContact CD2-CB 4.12Å; L38-R73 HydrophobicContact CD1-CB 4.33Å; L38-R73 HydrophobicContact CD2-CB 3.59Å; L38-V74 HydrophobicContact CD2-CG2 3.81Å; L38-I77 HydrophobicContact CB-CD1 4.39Å
39	V	91.1	Very high	79.2	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-61.4	-47.4	179.4	175.7	0	0	0	0	109.9	A10 L13 I17 V35 A36 G41 V42 S43	A10-V39 HydrophobicContact CB-CG2 3.97Å; L13-V39 HydrophobicContact CB-CG2 3.72Å; L13-V39 WeakPolarHBondContact O-CG1 3.42Å; I17-V39 HydrophobicContact CD1-CB 4.34Å; I17-V39 HydrophobicContact CD1-CG1 3.65Å; I17-V39 HydrophobicContact CG1-CG1 3.83Å; V35-V39 HydrophobicContact CG1-CG2 4.24Å; V35-V39 WeakPolarHBondContact O-CG2 3.39Å; V35-V39 PolarHBondContact O-N 2.9Å; A36-V39 PolarHBondContact O-N 3.26Å; V39-G41 VanDerWaalsContact C-N 3.31Å; V39-G41 PolarHBondContact O-N 3.21Å; V39-V42 PolarHBondContact O-N 3.49Å; V39-V42 VanDerWaalsContact O-N 3.09Å; V39-S43 PolarHBondContact O-N 2.89Å; V39-S43 PolarHBondContact O-OG 2.5Å; V39-S43 VanDerWaalsContact O-OG 3.07Å
40	E	87.4	Confident	76.5	Confident	60 Å²	60	57.6 Å²	57.6	28%	0.28	28%	0.281	S	S	.	.	H	α-helix	trans	-62.4	-39.6	177.5	-158.2	-161.3	-166.5	0	0	112.2	Y24 A36 V42 S43 K44	Y24-E40 HydrophobicContact CD2-CB 3.82Å; Y24-E40 HydrophobicContact CD2-CG 3.98Å; Y24-E40 HydrophobicContact CE2-CB 4.18Å; A36-E40 VanDerWaalsContact O-CB 3.27Å; A36-E40 WeakPolarHBondContact O-CB 3.15Å; A36-E40 PolarHBondContact O-N 3.5Å; E40-V42 VanDerWaalsContact C-N 3.25Å; E40-V42 PolarHBondContact O-N 3.27Å; E40-S43 PolarHBondContact O-N 2.99Å; E40-K44 HydrophobicContact CG-CD 4.1Å; E40-K44 HydrophobicContact CG-CG 4.36Å; E40-K44 VanDerWaalsContact O-CB 3.29Å; E40-K44 WeakPolarHBondContact O-CB 3.38Å; E40-K44 VanDerWaalsContact O-CG 3.26Å; E40-K44 WeakPolarHBondContact O-CG 3.5Å; E40-K44 PolarHBondContact O-N 2.84Å; E40-K44 WeakPolarHBondContact OE1-CE 3.46Å; E40-K44 IonicContact OE1-NZ 3.92Å; E40-K44 PolarHBondContact OE1-NZ 3.48Å; E40-K44 IonicContact OE2-NZ 3.71Å; E40-K44 PolarHBondContact OE2-NZ 2.97Å
41	G	84.4	Confident	73.9	Confident	9 Å²	9	64.4 Å²	64.4	9%	0.093	30%	0.298	C	S	.	.	H	α-helix	trans	-59.3	-36	174.3	0	0	0	0	0	112.7	E37 L38 V39 L45	E37-G41 PolarHBondContact O-N 3.39Å; L38-G41 PolarHBondContact O-N 2.9Å; V39-G41 VanDerWaalsContact C-N 3.31Å; V39-G41 PolarHBondContact O-N 3.21Å; G41-L45 VanDerWaalsContact O-CG 3.31Å; G41-L45 WeakPolarHBondContact O-CG 3.35Å
42	V	84	Confident	72	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-78.8	-43.3	176.5	179.5	0	0	0	0	112	H14 L38 V39 E40 L45 V74 I77 K78	H14-V42 HydrophobicContact CB-CB 4.41Å; H14-V42 HydrophobicContact CB-CG1 3.88Å; L38-V42 WeakPolarHBondContact O-CG2 3.28Å; L38-V42 PolarHBondContact O-N 3.48Å; V39-V42 PolarHBondContact O-N 3.49Å; V39-V42 VanDerWaalsContact O-N 3.09Å; E40-V42 VanDerWaalsContact C-N 3.25Å; E40-V42 PolarHBondContact O-N 3.27Å; V42-L45 WeakPolarHBondContact O-CB 3.47Å; V42-L45 WeakPolarHBondContact O-CG 2.94Å; V42-L45 PolarHBondContact O-N 3.01Å; V42-V74 HydrophobicContact CG2-CG1 3.89Å; V42-I77 HydrophobicContact CG1-CG2 4.33Å; V42-I77 HydrophobicContact CG2-CB 3.95Å; V42-I77 HydrophobicContact CG2-CD1 4.28Å; V42-I77 HydrophobicContact CG2-CG2 3.83Å; V42-K78 HydrophobicContact CG1-CD 4.24Å
43	S	77.1	Confident	70.5	Confident	3 Å²	3	71.4 Å²	71.4	2%	0.021	32%	0.324	C	S	.	.	H	α-helix	trans	-70.8	-30.5	179	-50.6	0	0	0	0	113.1	H14 E18 V39 E40 L45 D46 K47	H14-S43 PolarHBondContact O-OG 2.99Å; E18-S43 WeakPolarHBondContact OE1-CA 3.29Å; E18-S43 WeakPolarHBondContact OE1-CB 3.46Å; V39-S43 PolarHBondContact O-N 2.89Å; V39-S43 PolarHBondContact O-OG 2.5Å; V39-S43 VanDerWaalsContact O-OG 3.07Å; E40-S43 PolarHBondContact O-N 2.99Å; S43-L45 PolarHBondContact O-N 3.46Å; S43-D46 PolarHBondContact O-N 3.19Å; S43-K47 PolarHBondContact O-N 3.24Å
44	K	67.5	Low	69	Low	105 Å²	105	72.6 Å²	72.6	46%	0.457	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-9.7	173.8	-80.8	172	174.5	163.8	0	113.1	E40	E40-K44 HydrophobicContact CG-CD 4.1Å; E40-K44 HydrophobicContact CG-CG 4.36Å; E40-K44 VanDerWaalsContact O-CB 3.29Å; E40-K44 WeakPolarHBondContact O-CB 3.38Å; E40-K44 VanDerWaalsContact O-CG 3.26Å; E40-K44 WeakPolarHBondContact O-CG 3.5Å; E40-K44 PolarHBondContact O-N 2.84Å; E40-K44 WeakPolarHBondContact OE1-CE 3.46Å; E40-K44 IonicContact OE1-NZ 3.92Å; E40-K44 PolarHBondContact OE1-NZ 3.48Å; E40-K44 IonicContact OE2-NZ 3.71Å; E40-K44 PolarHBondContact OE2-NZ 2.97Å
45	L	58.1	Low	67.5	Low	13 Å²	13	78 Å²	78	7%	0.068	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-31.6	-179.7	-49.2	-179.1	0	0	0	113.6	G41 V42 S43 M64 V74 K78	G41-L45 VanDerWaalsContact O-CG 3.31Å; G41-L45 WeakPolarHBondContact O-CG 3.35Å; V42-L45 WeakPolarHBondContact O-CB 3.47Å; V42-L45 WeakPolarHBondContact O-CG 2.94Å; V42-L45 PolarHBondContact O-N 3.01Å; S43-L45 PolarHBondContact O-N 3.46Å; L45-M64 HydrophobicContact CD1-CG 4.1Å; L45-M64 HydrophobicContact CD2-CB 3.62Å; L45-M64 HydrophobicContact CD2-CG 3.95Å; L45-V74 HydrophobicContact CD1-CG1 4.48Å; L45-K78 HydrophobicContact CD1-CB 4.21Å; L45-K78 HydrophobicContact CD1-CD 3.9Å; L45-K78 HydrophobicContact CD1-CG 3.82Å
46	D	53.8	Low	66	Low	72 Å²	72	78.5 Å²	78.5	39%	0.385	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98	-26	-173.8	-60.6	-54.8	0	0	0	112.2	E18 S43 L48 K78	E18-D46 WeakPolarHBondContact OE1-CB 3.38Å; E18-D46 VanDerWaalsContact OE2-CB 3.29Å; E18-D46 WeakPolarHBondContact OE2-CB 3.24Å; S43-D46 PolarHBondContact O-N 3.19Å; D46-L48 PolarHBondContact O-N 3.33Å; D46-K78 IonicContact OD1-NZ 3.36Å; D46-K78 PolarHBondContact OD1-NZ 3.43Å; D46-K78 IonicContact OD2-NZ 2.64Å; D46-K78 PolarHBondContact OD2-NZ 2.95Å
47	K	48.1	Very low	64.6	Low	99 Å²	99	83.7 Å²	83.7	43%	0.43	38%	0.38	S	S	.	.			trans	-83.6	98.5	176.1	-70	177.2	177.9	171.3	0	112.3	I17 E18 S43	I17-K47 PolarHBondContact O-NZ 3.2Å; E18-K47 HydrophobicContact CG-CD 4.42Å; S43-K47 PolarHBondContact O-N 3.24Å
48	L	40.6	Very low	63.4	Low	77 Å²	77	79.5 Å²	79.5	40%	0.403	36%	0.361	S	S	.	.			trans	-173.1	118.5	137.9	-94.5	150.5	0	0	0	112.3	D46 F50 K63	D46-L48 PolarHBondContact O-N 3.33Å; L48-F50 HydrophobicContact CB-CD2 3.7Å; L48-F50 HydrophobicContact CB-CE2 3.27Å; L48-F50 HydrophobicContact CB-CZ 3.84Å; L48-F50 HydrophobicContact CD1-CE2 3.71Å; L48-F50 HydrophobicContact CD1-CZ 3.64Å; L48-F50 HydrophobicContact CD2-CE1 4.01Å; L48-F50 HydrophobicContact CD2-CE2 4.01Å; L48-F50 HydrophobicContact CD2-CZ 3.62Å; L48-F50 HydrophobicContact CG-CE2 3.83Å; L48-F50 HydrophobicContact CG-CZ 3.87Å; L48-F50 PolarHBondContact O-N 2.64Å; L48-K63 HydrophobicContact CD1-CD 4.49Å
49	K	36.2	Very low	62.2	Low	216 Å²	216	82 Å²	82	94%	0.939	37%	0.372	S	S	*	.			trans	-85	90.8	174	-69.6	-178.6	-178.6	174.2	0	110
50	F	40.2	Very low	61	Low	76 Å²	76	83.7 Å²	83.7	33%	0.333	38%	0.381	S	S	.	.			trans	-95.1	147.9	173.4	-66.2	-72.5	0	0	0	111.9	L48 A56 E59	L48-F50 HydrophobicContact CB-CD2 3.7Å; L48-F50 HydrophobicContact CB-CE2 3.27Å; L48-F50 HydrophobicContact CB-CZ 3.84Å; L48-F50 HydrophobicContact CD1-CE2 3.71Å; L48-F50 HydrophobicContact CD1-CZ 3.64Å; L48-F50 HydrophobicContact CD2-CE1 4.01Å; L48-F50 HydrophobicContact CD2-CE2 4.01Å; L48-F50 HydrophobicContact CD2-CZ 3.62Å; L48-F50 HydrophobicContact CG-CE2 3.83Å; L48-F50 HydrophobicContact CG-CZ 3.87Å; L48-F50 PolarHBondContact O-N 2.64Å; F50-A56 HydrophobicContact CB-CB 3.52Å; F50-A56 HydrophobicContact CD2-CB 3.6Å; F50-A56 HydrophobicContact CG-CB 3.96Å; F50-E59 HydrophobicContact CE2-CB 4.39Å; F50-E59 WeakPolarHBondContact CZ-OE2 3.28Å
51	R	39.4	Very low	60.1	Low	265 Å²	265	81.4 Å²	81.4	100%	1	37%	0.371	S	S	*	.	S	Bend	trans	-71.3	-27.4	-178.9	-75.2	-179.5	167.8	-180	-3.5	113.2
52	D	55.9	Low	59.4	Low	91 Å²	91	84 Å²	84	49%	0.487	38%	0.378	S	S	.	.	S	Bend	trans	-110.8	120.4	177.6	-164.9	-13.3	0	0	0	111.6	K54 A56	D52-K54 VanDerWaalsContact C-N 3.35Å; D52-K54 PolarHBondContact O-N 2.79Å; D52-A56 VanDerWaalsContact O-CB 3.22Å; D52-A56 WeakPolarHBondContact O-CB 3.44Å; D52-A56 PolarHBondContact O-N 2.8Å
53	K	61.9	Low	58.8	Low	171 Å²	171	86.7 Å²	86.7	74%	0.743	39%	0.389	S	S	*	.	H	α-helix	trans	-68	-29	-169.1	-73.7	179.4	179.7	171.2	0	113.8	Q57	K53-Q57 VanDerWaalsContact O-CG 3.27Å; K53-Q57 WeakPolarHBondContact O-CG 3.02Å; K53-Q57 PolarHBondContact O-N 3.11Å
54	K	62.4	Low	58.5	Low	145 Å²	145	87 Å²	87	63%	0.63	39%	0.39	S	S	*	.	H	α-helix	trans	-79.8	-47.3	-175.6	-76.4	-175.7	179	175.9	0	112	D52 A56 Q57 A58	D52-K54 VanDerWaalsContact C-N 3.35Å; D52-K54 PolarHBondContact O-N 2.79Å; K54-A56 VanDerWaalsContact C-N 3.32Å; K54-Q57 PolarHBondContact O-N 2.84Å; K54-A58 WeakPolarHBondContact O-CB 3.47Å; K54-A58 PolarHBondContact O-N 2.78Å
55	E	60.6	Low	58.6	Low	139 Å²	139	82 Å²	82	65%	0.65	37%	0.369	S	S	*	.	H	α-helix	trans	-65.5	-37.7	176.3	-71.1	-174	162.5	0	0	111.6	Q57 A58 E59	E55-Q57 PolarHBondContact O-N 3.45Å; E55-A58 CarbonylContact O-C 3.53Å; E55-A58 WeakPolarHBondContact O-CA 3.21Å; E55-A58 WeakPolarHBondContact O-CB 3.44Å; E55-A58 PolarHBondContact O-N 2.88Å; E55-E59 PolarHBondContact O-N 3.01Å
56	A	63	Low	59.4	Low	12 Å²	12	83 Å²	83	10%	0.099	37%	0.373	C	S	.	.	H	α-helix	trans	-55.5	-52.9	174.3	0	0	0	0	0	112.8	F50 D52 K54 A58 E59 N60	F50-A56 HydrophobicContact CB-CB 3.52Å; F50-A56 HydrophobicContact CD2-CB 3.6Å; F50-A56 HydrophobicContact CG-CB 3.96Å; D52-A56 VanDerWaalsContact O-CB 3.22Å; D52-A56 WeakPolarHBondContact O-CB 3.44Å; D52-A56 PolarHBondContact O-N 2.8Å; K54-A56 VanDerWaalsContact C-N 3.32Å; A56-A58 PolarHBondContact O-N 2.85Å; A56-E59 PolarHBondContact O-N 2.96Å; A56-N60 WeakPolarHBondContact O-CB 3.36Å; A56-N60 VanDerWaalsContact O-CG 3.22Å; A56-N60 PolarHBondContact O-N 2.8Å; A56-N60 PolarHBondContact O-OD1 2.8Å
57	Q	62.6	Low	60.3	Low	110 Å²	110	80.5 Å²	80.5	51%	0.514	36%	0.363	S	S	.	.	H	α-helix	trans	-59.7	-34.6	175.5	-76.5	180	-21.2	0	0	110.1	K53 K54 E55 F61	K53-Q57 VanDerWaalsContact O-CG 3.27Å; K53-Q57 WeakPolarHBondContact O-CG 3.02Å; K53-Q57 PolarHBondContact O-N 3.11Å; K54-Q57 PolarHBondContact O-N 2.84Å; E55-Q57 PolarHBondContact O-N 3.45Å; Q57-F61 VanDerWaalsContact O-CB 3.25Å; Q57-F61 WeakPolarHBondContact O-CB 3.4Å; Q57-F61 PolarHBondContact O-N 3.4Å
58	A	66	Low	61.6	Low	4 Å²	4	75.9 Å²	75.9	3%	0.033	34%	0.343	C	S	.	.	H	α-helix	trans	-69.5	-43.4	-178.3	0	0	0	0	0	113.7	K54 E55 A56 R62 I318	K54-A58 WeakPolarHBondContact O-CB 3.47Å; K54-A58 PolarHBondContact O-N 2.78Å; E55-A58 CarbonylContact O-C 3.53Å; E55-A58 WeakPolarHBondContact O-CA 3.21Å; E55-A58 WeakPolarHBondContact O-CB 3.44Å; E55-A58 PolarHBondContact O-N 2.88Å; A56-A58 PolarHBondContact O-N 2.85Å; A58-R62 WeakPolarHBondContact O-CB 3.43Å; A58-R62 PolarHBondContact O-N 2.8Å; A58-I318 HydrophobicContact CB-CD1 3.52Å; A58-I318 HydrophobicContact CB-CG1 4.28Å; A58-I318 WeakPolarHBondContact O-CD1 3.49Å
59	E	66.4	Low	63	Low	54 Å²	54	73.5 Å²	73.5	25%	0.252	33%	0.332	S	S	.	.	H	α-helix	trans	-70.1	-40.2	177.4	-159.4	-175.5	147.8	0	0	112	F50 E55 A56 F61 R62 K63	F50-E59 HydrophobicContact CE2-CB 4.39Å; F50-E59 WeakPolarHBondContact CZ-OE2 3.28Å; E55-E59 PolarHBondContact O-N 3.01Å; A56-E59 PolarHBondContact O-N 2.96Å; E59-F61 PolarHBondContact O-N 2.86Å; E59-R62 WeakPolarHBondContact O-CB 3.19Å; E59-R62 PolarHBondContact O-N 2.8Å; E59-K63 WeakPolarHBondContact O-CG 3.42Å; E59-K63 PolarHBondContact O-N 2.81Å; E59-K63 WeakPolarHBondContact OE1-CE 3.41Å; E59-K63 IonicContact OE1-NZ 3.86Å; E59-K63 PolarHBondContact OE1-NZ 2.79Å
60	N	66.3	Low	64.8	Low	36 Å²	36	71 Å²	71	19%	0.193	32%	0.323	C	S	.	.	H	α-helix	trans	-62	-45.4	176.3	-71	5.5	0	0	0	111	A56 K63 M64	A56-N60 WeakPolarHBondContact O-CB 3.36Å; A56-N60 VanDerWaalsContact O-CG 3.22Å; A56-N60 PolarHBondContact O-N 2.8Å; A56-N60 PolarHBondContact O-OD1 2.8Å; N60-K63 PolarHBondContact O-N 3.05Å; N60-M64 WeakPolarHBondContact O-CB 3.47Å; N60-M64 PolarHBondContact O-N 2.93Å
61	F	67.6	Low	66.9	Low	12 Å²	12	69.1 Å²	69.1	5%	0.053	32%	0.317	C	S	.	.	H	α-helix	trans	-65.4	-39.2	176.3	-178.6	-87.3	0	0	0	111.6	Q57 E59 K63 M64 I65 I107 L111 I318 V321 L325	Q57-F61 VanDerWaalsContact O-CB 3.25Å; Q57-F61 WeakPolarHBondContact O-CB 3.4Å; Q57-F61 PolarHBondContact O-N 3.4Å; E59-F61 PolarHBondContact O-N 2.86Å; F61-K63 PolarHBondContact O-N 3.14Å; F61-M64 HydrophobicContact CD2-CE 3.38Å; F61-M64 HydrophobicContact CE2-CE 3.54Å; F61-M64 HydrophobicContact CG-CE 4.22Å; F61-M64 HydrophobicContact CZ-CE 4.5Å; F61-M64 WeakPolarHBondContact O-CB 3.37Å; F61-M64 PolarHBondContact O-N 3.22Å; F61-I65 HydrophobicContact CD1-CG1 4.08Å; F61-I65 HydrophobicContact CE1-CD1 4.14Å; F61-I65 HydrophobicContact CE1-CG1 3.74Å; F61-I65 HydrophobicContact CZ-CD1 4Å; F61-I65 HydrophobicContact CZ-CG1 4.1Å; F61-I65 WeakPolarHBondContact O-CG1 3.29Å; F61-I65 PolarHBondContact O-N 2.99Å; F61-I107 HydrophobicContact CD2-CD1 4.18Å; F61-I107 HydrophobicContact CD2-CG1 4.41Å; F61-I107 HydrophobicContact CD2-CG2 3.87Å; F61-I107 HydrophobicContact CE2-CB 4.48Å; F61-I107 HydrophobicContact CE2-CG1 4.29Å; F61-I107 HydrophobicContact CE2-CG2 3.58Å; F61-L111 HydrophobicContact CE2-CD1 4.35Å; F61-I318 HydrophobicContact CB-CD1 3.67Å; F61-I318 HydrophobicContact CD1-CD1 3.6Å; F61-I318 HydrophobicContact CD1-CG1 3.64Å; F61-I318 HydrophobicContact CE1-CG1 4.25Å; F61-I318 HydrophobicContact CG-CD1 3.88Å; F61-I318 HydrophobicContact CG-CG1 4.41Å; F61-V321 HydrophobicContact CE1-CB 3.94Å; F61-V321 HydrophobicContact CE1-CG1 3.63Å; F61-V321 HydrophobicContact CE1-CG2 4.44Å; F61-V321 HydrophobicContact CZ-CB 4.46Å; F61-V321 HydrophobicContact CZ-CG1 3.73Å; F61-L325 HydrophobicContact CZ-CD1 4.1Å
62	R	69	Low	69	Low	65 Å²	65	58 Å²	58	25%	0.245	28%	0.277	C	S	.	.	H	α-helix	trans	-58.3	-47.3	172.3	-171.8	-171.5	70.8	81.5	-2	111.5	A58 E59 M64 I65 M66 F317	A58-R62 WeakPolarHBondContact O-CB 3.43Å; A58-R62 PolarHBondContact O-N 2.8Å; E59-R62 WeakPolarHBondContact O-CB 3.19Å; E59-R62 PolarHBondContact O-N 2.8Å; R62-M64 VanDerWaalsContact C-N 3.33Å; R62-M64 PolarHBondContact O-N 2.84Å; R62-I65 PolarHBondContact O-N 2.9Å; R62-M66 VanDerWaalsContact O-CG 3.32Å; R62-M66 WeakPolarHBondContact O-CG 3.34Å; R62-M66 PolarHBondContact O-N 2.93Å; R62-F317 HydrophobicContact CB-CD1 4.09Å; R62-F317 HydrophobicContact CB-CE1 4.18Å; R62-F317 HydrophobicContact CG-CD1 3.88Å; R62-F317 HydrophobicContact CG-CE1 3.92Å
63	K	71.6	Confident	70.5	Confident	56 Å²	56	55.1 Å²	55.1	24%	0.243	26%	0.259	C	S	.	.	H	α-helix	trans	-61.8	-41.2	177.4	-74.4	175	-176.1	166.9	0	111.9	L48 E59 N60 F61 I65 M66 A67	L48-K63 HydrophobicContact CD1-CD 4.49Å; E59-K63 WeakPolarHBondContact O-CG 3.42Å; E59-K63 PolarHBondContact O-N 2.81Å; E59-K63 WeakPolarHBondContact OE1-CE 3.41Å; E59-K63 IonicContact OE1-NZ 3.86Å; E59-K63 PolarHBondContact OE1-NZ 2.79Å; N60-K63 PolarHBondContact O-N 3.05Å; F61-K63 PolarHBondContact O-N 3.14Å; K63-I65 PolarHBondContact O-N 2.82Å; K63-M66 PolarHBondContact O-N 3.26Å; K63-A67 PolarHBondContact O-N 2.97Å
64	M	70.5	Confident	71.8	Confident	8 Å²	8	47.1 Å²	47.1	4%	0.039	23%	0.225	C	C	.	.	H	α-helix	trans	-55.1	-52.2	172.5	-168.9	179.4	62.3	0	0	111.6	L45 N60 F61 R62 M66 A67 M68 I75 I107 Y108 L111	L45-M64 HydrophobicContact CD1-CG 4.1Å; L45-M64 HydrophobicContact CD2-CB 3.62Å; L45-M64 HydrophobicContact CD2-CG 3.95Å; N60-M64 WeakPolarHBondContact O-CB 3.47Å; N60-M64 PolarHBondContact O-N 2.93Å; F61-M64 HydrophobicContact CD2-CE 3.38Å; F61-M64 HydrophobicContact CE2-CE 3.54Å; F61-M64 HydrophobicContact CG-CE 4.22Å; F61-M64 HydrophobicContact CZ-CE 4.5Å; F61-M64 WeakPolarHBondContact O-CB 3.37Å; F61-M64 PolarHBondContact O-N 3.22Å; R62-M64 VanDerWaalsContact C-N 3.33Å; R62-M64 PolarHBondContact O-N 2.84Å; M64-M66 VanDerWaalsContact C-N 3.29Å; M64-M66 PolarHBondContact O-N 3.42Å; M64-A67 PolarHBondContact O-N 3.38Å; M64-M68 HydrophobicContact CG-SD 4.03Å; M64-M68 WeakPolarHBondContact O-CB 3.29Å; M64-M68 WeakPolarHBondContact O-CG 3.25Å; M64-M68 PolarHBondContact O-N 3.39Å; M64-I75 HydrophobicContact SD-CD1 4.36Å; M64-I107 HydrophobicContact CE-CG2 4.13Å; M64-Y108 HydrophobicContact SD-CE1 4.43Å; M64-L111 HydrophobicContact CE-CD1 3.55Å; M64-L111 HydrophobicContact SD-CD1 4.49Å
65	I	71.5	Confident	72.9	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-61.3	-39	178.3	-62.6	-59.3	0	0	0	111.3	F61 R62 K63 M68 V69 L111 L304 F317	F61-I65 HydrophobicContact CD1-CG1 4.08Å; F61-I65 HydrophobicContact CE1-CD1 4.14Å; F61-I65 HydrophobicContact CE1-CG1 3.74Å; F61-I65 HydrophobicContact CZ-CD1 4Å; F61-I65 HydrophobicContact CZ-CG1 4.1Å; F61-I65 WeakPolarHBondContact O-CG1 3.29Å; F61-I65 PolarHBondContact O-N 2.99Å; R62-I65 PolarHBondContact O-N 2.9Å; K63-I65 PolarHBondContact O-N 2.82Å; I65-M68 HydrophobicContact CD1-CE 4.23Å; I65-M68 HydrophobicContact CD1-SD 3.99Å; I65-M68 WeakPolarHBondContact O-CB 3.35Å; I65-M68 PolarHBondContact O-N 2.98Å; I65-V69 HydrophobicContact CG2-CG2 4.41Å; I65-V69 WeakPolarHBondContact O-CG2 3.35Å; I65-V69 PolarHBondContact O-N 3.34Å; I65-L111 HydrophobicContact CD1-CD2 4.28Å; I65-L304 HydrophobicContact CD1-CD1 4.34Å; I65-L304 HydrophobicContact CG2-CB 3.85Å; I65-L304 HydrophobicContact CG2-CD1 3.56Å; I65-L304 HydrophobicContact CG2-CG 4.19Å; I65-F317 HydrophobicContact CB-CE1 4.3Å; I65-F317 HydrophobicContact CB-CZ 4.29Å; I65-F317 HydrophobicContact CG1-CE1 4.35Å; I65-F317 HydrophobicContact CG2-CE1 4.45Å; I65-F317 HydrophobicContact CG2-CZ 3.94Å
66	M	73.5	Confident	74.3	Confident	34 Å²	34	33.7 Å²	33.7	17%	0.167	16%	0.164	C	C	.	.	H	α-helix	trans	-67	-42.1	178.1	-65.7	-60.9	119.4	0	0	112.5	R62 K63 M64 M68 V69 Q70 L305 Q308 F317	R62-M66 VanDerWaalsContact O-CG 3.32Å; R62-M66 WeakPolarHBondContact O-CG 3.34Å; R62-M66 PolarHBondContact O-N 2.93Å; K63-M66 PolarHBondContact O-N 3.26Å; M64-M66 VanDerWaalsContact C-N 3.29Å; M64-M66 PolarHBondContact O-N 3.42Å; M66-M68 VanDerWaalsContact C-N 3.32Å; M66-M68 PolarHBondContact O-N 3.49Å; M66-V69 PolarHBondContact O-N 2.96Å; M66-Q70 PolarHBondContact O-N 3.48Å; M66-L305 HydrophobicContact CE-CD2 4.42Å; M66-L305 HydrophobicContact SD-CD2 4Å; M66-Q308 HydrophobicContact CE-CB 3.67Å; M66-Q308 HydrophobicContact CE-CG 3.68Å; M66-Q308 HydrophobicContact SD-CG 4.2Å; M66-F317 HydrophobicContact CE-CE2 4.46Å; M66-F317 HydrophobicContact CE-CZ 3.99Å
67	A	73.4	Confident	75.7	Confident	21 Å²	21	33.3 Å²	33.3	17%	0.174	16%	0.161	C	C	.	.	H	α-helix	trans	-63.9	-40.1	175.9	0	0	0	0	0	111.3	K63 M64 V69 Q70 D71 V74	K63-A67 PolarHBondContact O-N 2.97Å; M64-A67 PolarHBondContact O-N 3.38Å; A67-V69 VanDerWaalsContact C-N 3.32Å; A67-V69 PolarHBondContact O-N 2.86Å; A67-Q70 PolarHBondContact O-N 2.89Å; A67-D71 PolarHBondContact O-N 3.16Å; A67-V74 HydrophobicContact CB-CG1 4.06Å
68	M	74.7	Confident	76.9	Confident	1 Å²	1	28.2 Å²	28.2	1%	0.005	14%	0.137	C	C	.	.	H	α-helix	trans	-59.9	-39.1	174.7	-75.3	173.4	52.4	0	0	114.1	M64 I65 M66 Q70 D71 I72 I75 L111 W300	M64-M68 HydrophobicContact CG-SD 4.03Å; M64-M68 WeakPolarHBondContact O-CB 3.29Å; M64-M68 WeakPolarHBondContact O-CG 3.25Å; M64-M68 PolarHBondContact O-N 3.39Å; I65-M68 HydrophobicContact CD1-CE 4.23Å; I65-M68 HydrophobicContact CD1-SD 3.99Å; I65-M68 WeakPolarHBondContact O-CB 3.35Å; I65-M68 PolarHBondContact O-N 2.98Å; M66-M68 VanDerWaalsContact C-N 3.32Å; M66-M68 PolarHBondContact O-N 3.49Å; M68-Q70 VanDerWaalsContact C-N 3.3Å; M68-D71 CarbonylContact O-C 3.58Å; M68-I72 PolarHBondContact O-N 2.88Å; M68-I75 HydrophobicContact CE-CB 3.99Å; M68-I75 HydrophobicContact CE-CD1 4.44Å; M68-I75 HydrophobicContact CE-CG1 3.88Å; M68-I75 HydrophobicContact CE-CG2 3.91Å; M68-I75 HydrophobicContact CG-CB 3.53Å; M68-I75 HydrophobicContact CG-CG1 4.28Å; M68-I75 HydrophobicContact CG-CG2 3.81Å; M68-I75 HydrophobicContact SD-CB 3.69Å; M68-I75 HydrophobicContact SD-CD1 3.78Å; M68-I75 HydrophobicContact SD-CG1 3.74Å; M68-I75 HydrophobicContact SD-CG2 4.21Å; M68-L111 HydrophobicContact CE-CD2 4.23Å; M68-W300 HydrophobicContact CE-CH2 4.39Å; M68-W300 HydrophobicContact CE-CZ3 4.36Å
69	V	70.3	Confident	78.1	Confident	28 Å²	28	28 Å²	28	17%	0.17	14%	0.135	C	C	.	.	H	α-helix	trans	-67.4	-35.8	179.5	168.6	0	0	0	0	110.8	I65 M66 A67 M301 L305	I65-V69 HydrophobicContact CG2-CG2 4.41Å; I65-V69 WeakPolarHBondContact O-CG2 3.35Å; I65-V69 PolarHBondContact O-N 3.34Å; M66-V69 PolarHBondContact O-N 2.96Å; A67-V69 VanDerWaalsContact C-N 3.32Å; A67-V69 PolarHBondContact O-N 2.86Å; V69-M301 HydrophobicContact CG2-CB 3.96Å; V69-M301 HydrophobicContact CG2-CG 4.29Å; V69-L305 HydrophobicContact CB-CD2 4.43Å; V69-L305 HydrophobicContact CB-CG 4.49Å; V69-L305 HydrophobicContact CG1-CD1 3.5Å; V69-L305 HydrophobicContact CG1-CD2 3.77Å; V69-L305 HydrophobicContact CG1-CG 3.58Å; V69-L305 HydrophobicContact CG2-CD2 4.41Å; V69-L305 HydrophobicContact CG2-CG 4.28Å
70	Q	74.7	Confident	79.4	Confident	162 Å²	162	27.3 Å²	27.3	76%	0.757	14%	0.138	S	C	*	.	H	α-helix	trans	-69.7	-48.3	175	-62.5	-58.5	-31.6	0	0	110.7	M66 A67 M68	M66-Q70 PolarHBondContact O-N 3.48Å; A67-Q70 PolarHBondContact O-N 2.89Å; M68-Q70 VanDerWaalsContact C-N 3.3Å
71	D	83	Confident	80.7	Confident	38 Å²	38	26.4 Å²	26.4	20%	0.203	13%	0.134	C	C	.	.			trans	-146.7	117.4	176.3	-162.5	-31	0	0	0	112.2	L38 A67 M68 R73 V74	L38-D71 HydrophobicContact CD2-CB 4.12Å; A67-D71 PolarHBondContact O-N 3.16Å; M68-D71 CarbonylContact O-C 3.58Å; D71-R73 PolarHBondContact O-N 2.82Å; D71-R73 VanDerWaalsContact O-N 3.15Å; D71-R73 WeakPolarHBondContact OD1-CB 3.36Å; D71-R73 VanDerWaalsContact OD1-CG 3.25Å; D71-R73 WeakPolarHBondContact OD1-CG 3.45Å; D71-R73 PolarHBondContact OD1-N 2.82Å; D71-R73 IonicContact OD1-NE 2.91Å; D71-R73 PolarHBondContact OD1-NE 2.82Å; D71-R73 IonicContact OD2-CZ 2.63Å; D71-R73 IonicContact OD2-NE 3.97Å; D71-R73 PolarHBondContact OD2-NE 3.36Å; D71-R73 IonicContact OD2-NH2 3.54Å; D71-R73 PolarHBondContact OD2-NH2 3.2Å; D71-V74 HydrophobicContact CB-CG2 4.36Å; D71-V74 WeakPolarHBondContact O-CB 3.43Å; D71-V74 WeakPolarHBondContact O-CG2 3.41Å; D71-V74 PolarHBondContact O-N 3.27Å; D71-V74 VanDerWaalsContact O-N 3.14Å
72	I	83.8	Confident	81.8	Confident	30 Å²	30	26.9 Å²	26.9	15%	0.154	14%	0.135	C	C	.	.	H	α-helix	trans	-59.4	-24.4	177	-168.4	168	0	0	0	112.8	M68 V74 I75 L76 L115 V277 W281 A297 M301	M68-I72 PolarHBondContact O-N 2.88Å; I72-V74 PolarHBondContact O-N 3.44Å; I72-I75 HydrophobicContact CG1-CG2 4.14Å; I72-I75 WeakPolarHBondContact O-CG2 3.43Å; I72-I75 PolarHBondContact O-N 3Å; I72-L76 PolarHBondContact O-N 2.85Å; I72-L115 HydrophobicContact CD1-CD2 4.11Å; I72-L115 HydrophobicContact CG1-CD2 4.49Å; I72-V277 HydrophobicContact CD1-CB 3.78Å; I72-V277 HydrophobicContact CD1-CG1 3.84Å; I72-V277 HydrophobicContact CD1-CG2 3.73Å; I72-V277 HydrophobicContact CG1-CG2 4.47Å; I72-W281 HydrophobicContact CG2-CH2 3.67Å; I72-W281 HydrophobicContact CG2-CZ2 4.18Å; I72-A297 HydrophobicContact CD1-CB 4.36Å; I72-M301 HydrophobicContact CB-CE 3.92Å; I72-M301 HydrophobicContact CD1-CE 3.56Å; I72-M301 HydrophobicContact CG1-CE 3.62Å
73	R	88.1	Confident	83	Confident	31 Å²	31	24 Å²	24	12%	0.117	13%	0.125	C	C	.	.	H	α-helix	trans	-62	-29.4	178.3	-65.4	178.2	-75.7	175.7	7.3	111.8	D4 E6 T7 S34 L38 D71 I75 L76 I77 W281	D4-R73 IonicContact OD1-NH1 2.63Å; D4-R73 IonicContact OD2-NH1 3.58Å; D4-R73 PolarHBondContact OD2-NH1 3.39Å; E6-R73 IonicContact OE2-CZ 3.16Å; E6-R73 IonicContact OE2-NH1 3.76Å; E6-R73 PolarHBondContact OE2-NH1 2.9Å; T7-R73 HydrophobicContact CG2-CB 4.21Å; T7-R73 HydrophobicContact CG2-CG 4.48Å; T7-R73 WeakPolarHBondContact OG1-CD 3.44Å; S34-R73 PolarHBondContact OG-NH2 3.01Å; L38-R73 HydrophobicContact CD1-CB 4.33Å; L38-R73 HydrophobicContact CD2-CB 3.59Å; D71-R73 PolarHBondContact O-N 2.82Å; D71-R73 VanDerWaalsContact O-N 3.15Å; D71-R73 WeakPolarHBondContact OD1-CB 3.36Å; D71-R73 VanDerWaalsContact OD1-CG 3.25Å; D71-R73 WeakPolarHBondContact OD1-CG 3.45Å; D71-R73 PolarHBondContact OD1-N 2.82Å; D71-R73 IonicContact OD1-NE 2.91Å; D71-R73 PolarHBondContact OD1-NE 2.82Å; D71-R73 IonicContact OD2-CZ 2.63Å; D71-R73 IonicContact OD2-NE 3.97Å; D71-R73 PolarHBondContact OD2-NE 3.36Å; D71-R73 IonicContact OD2-NH2 3.54Å; D71-R73 PolarHBondContact OD2-NH2 3.2Å; R73-I75 PolarHBondContact O-N 3.1Å; R73-L76 WeakPolarHBondContact O-CB 3.31Å; R73-L76 PolarHBondContact O-N 3.25Å; R73-L76 VanDerWaalsContact O-N 3.17Å; R73-I77 WeakPolarHBondContact O-CG1 3.31Å; R73-I77 PolarHBondContact O-N 3.44Å; R73-W281 HydrophobicContact CG-CH2 4.48Å; R73-W281 HydrophobicContact CG-CZ2 3.89Å
74	V	88.1	Confident	84.1	Confident	4 Å²	4	26.3 Å²	26.3	2%	0.024	14%	0.136	C	C	.	.	H	α-helix	trans	-57.6	-45.8	176.3	176.6	0	0	0	0	111.4	L38 V42 L45 A67 D71 I72 I77 K78	L38-V74 HydrophobicContact CD2-CG2 3.81Å; V42-V74 HydrophobicContact CG2-CG1 3.89Å; L45-V74 HydrophobicContact CD1-CG1 4.48Å; A67-V74 HydrophobicContact CB-CG1 4.06Å; D71-V74 HydrophobicContact CB-CG2 4.36Å; D71-V74 WeakPolarHBondContact O-CB 3.43Å; D71-V74 WeakPolarHBondContact O-CG2 3.41Å; D71-V74 PolarHBondContact O-N 3.27Å; D71-V74 VanDerWaalsContact O-N 3.14Å; I72-V74 PolarHBondContact O-N 3.44Å; V74-I77 PolarHBondContact O-N 3.11Å; V74-K78 PolarHBondContact O-N 3.2Å
75	I	86.4	Confident	85.1	Confident	1 Å²	1	28.8 Å²	28.8	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-74.5	-29.4	178.2	-175.7	61.7	0	0	0	112.8	M64 M68 I72 R73 I77 K78 L79 L111 L115	M64-I75 HydrophobicContact SD-CD1 4.36Å; M68-I75 HydrophobicContact CE-CB 3.99Å; M68-I75 HydrophobicContact CE-CD1 4.44Å; M68-I75 HydrophobicContact CE-CG1 3.88Å; M68-I75 HydrophobicContact CE-CG2 3.91Å; M68-I75 HydrophobicContact CG-CB 3.53Å; M68-I75 HydrophobicContact CG-CG1 4.28Å; M68-I75 HydrophobicContact CG-CG2 3.81Å; M68-I75 HydrophobicContact SD-CB 3.69Å; M68-I75 HydrophobicContact SD-CD1 3.78Å; M68-I75 HydrophobicContact SD-CG1 3.74Å; M68-I75 HydrophobicContact SD-CG2 4.21Å; I72-I75 HydrophobicContact CG1-CG2 4.14Å; I72-I75 WeakPolarHBondContact O-CG2 3.43Å; I72-I75 PolarHBondContact O-N 3Å; R73-I75 PolarHBondContact O-N 3.1Å; I75-I77 VanDerWaalsContact C-N 3.31Å; I75-I77 PolarHBondContact O-N 3.21Å; I75-K78 HydrophobicContact CD1-CB 4.46Å; I75-K78 PolarHBondContact O-N 3.5Å; I75-L79 HydrophobicContact CD1-CD1 4.48Å; I75-L79 HydrophobicContact CD1-CG 3.99Å; I75-L79 HydrophobicContact CG1-CD1 4Å; I75-L79 HydrophobicContact CG1-CG 4.01Å; I75-L79 VanDerWaalsContact O-CB 3.25Å; I75-L79 WeakPolarHBondContact O-CB 3.47Å; I75-L79 VanDerWaalsContact O-CG 3.24Å; I75-L79 WeakPolarHBondContact O-CG 3.4Å; I75-L79 PolarHBondContact O-N 3Å; I75-L111 HydrophobicContact CD1-CD1 4.27Å; I75-L115 HydrophobicContact CB-CD1 4.5Å; I75-L115 HydrophobicContact CG1-CD1 3.91Å; I75-L115 HydrophobicContact CG2-CD1 3.75Å
76	L	90	Very high	86.3	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-61.9	-43.3	173.1	-61.7	-179.1	0	0	0	110.7	L3 I72 R73 A80 I117 V277 W281	L3-L76 HydrophobicContact CD1-CB 4.11Å; L3-L76 HydrophobicContact CD1-CD1 4.12Å; L3-L76 HydrophobicContact CD2-CD1 3.77Å; I72-L76 PolarHBondContact O-N 2.85Å; R73-L76 WeakPolarHBondContact O-CB 3.31Å; R73-L76 PolarHBondContact O-N 3.25Å; R73-L76 VanDerWaalsContact O-N 3.17Å; L76-A80 WeakPolarHBondContact O-CB 3.34Å; L76-A80 PolarHBondContact O-N 2.98Å; L76-I117 HydrophobicContact CD2-CD1 3.24Å; L76-V277 HydrophobicContact CD2-CG2 4.23Å; L76-W281 HydrophobicContact CD1-CE3 4.48Å; L76-W281 HydrophobicContact CD1-CH2 3.9Å; L76-W281 HydrophobicContact CD1-CZ3 3.75Å
77	I	91.7	Very high	87.3	Confident	5 Å²	5	34.4 Å²	34.4	3%	0.026	17%	0.169	C	C	.	.	H	α-helix	trans	-63.7	-48.6	174.6	-62	164.3	0	0	0	110	T7 A10 A11 H14 L38 V42 R73 V74 I75 L79 A80 D81	T7-I77 HydrophobicContact CG2-CD1 4.14Å; T7-I77 HydrophobicContact CG2-CG1 3.92Å; A10-I77 HydrophobicContact CB-CD1 3.61Å; A11-I77 HydrophobicContact CB-CG1 4.27Å; A11-I77 HydrophobicContact CB-CG2 4.24Å; H14-I77 HydrophobicContact CB-CG2 3.98Å; L38-I77 HydrophobicContact CB-CD1 4.39Å; V42-I77 HydrophobicContact CG1-CG2 4.33Å; V42-I77 HydrophobicContact CG2-CB 3.95Å; V42-I77 HydrophobicContact CG2-CD1 4.28Å; V42-I77 HydrophobicContact CG2-CG2 3.83Å; R73-I77 WeakPolarHBondContact O-CG1 3.31Å; R73-I77 PolarHBondContact O-N 3.44Å; V74-I77 PolarHBondContact O-N 3.11Å; I75-I77 VanDerWaalsContact C-N 3.31Å; I75-I77 PolarHBondContact O-N 3.21Å; I77-L79 VanDerWaalsContact C-N 3.34Å; I77-L79 PolarHBondContact O-N 3.37Å; I77-A80 WeakPolarHBondContact O-CB 3.41Å; I77-A80 PolarHBondContact O-N 2.75Å; I77-A80 VanDerWaalsContact O-N 3.07Å; I77-D81 PolarHBondContact O-N 3.44Å
78	K	89.1	Confident	88.3	Confident	3 Å²	3	36.8 Å²	36.8	1%	0.013	18%	0.181	C	C	.	.	H	α-helix	trans	-66.1	-33.1	-178.5	-163.5	61.6	168.6	173.4	0	113.5	V42 L45 D46 V74 I75 D81 R82 Y108	V42-K78 HydrophobicContact CG1-CD 4.24Å; L45-K78 HydrophobicContact CD1-CB 4.21Å; L45-K78 HydrophobicContact CD1-CD 3.9Å; L45-K78 HydrophobicContact CD1-CG 3.82Å; D46-K78 IonicContact OD1-NZ 3.36Å; D46-K78 PolarHBondContact OD1-NZ 3.43Å; D46-K78 IonicContact OD2-NZ 2.64Å; D46-K78 PolarHBondContact OD2-NZ 2.95Å; V74-K78 PolarHBondContact O-N 3.2Å; I75-K78 HydrophobicContact CD1-CB 4.46Å; I75-K78 PolarHBondContact O-N 3.5Å; K78-D81 IonicContact NZ-OD2 3.93Å; K78-D81 PolarHBondContact NZ-OD2 3.41Å; K78-R82 VanDerWaalsContact O-CB 3.27Å; K78-R82 WeakPolarHBondContact O-CB 3.35Å; K78-R82 PolarHBondContact O-N 3.06Å; K78-Y108 HydrophobicContact CG-CE1 4.04Å
79	L	91.4	Very high	89	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-68.2	-36.6	172	-77.2	174.7	0	0	0	111.8	I75 I77 T83 Y108 A112 L115 I117 I120 L124	I75-L79 HydrophobicContact CD1-CD1 4.48Å; I75-L79 HydrophobicContact CD1-CG 3.99Å; I75-L79 HydrophobicContact CG1-CD1 4Å; I75-L79 HydrophobicContact CG1-CG 4.01Å; I75-L79 VanDerWaalsContact O-CB 3.25Å; I75-L79 WeakPolarHBondContact O-CB 3.47Å; I75-L79 VanDerWaalsContact O-CG 3.24Å; I75-L79 WeakPolarHBondContact O-CG 3.4Å; I75-L79 PolarHBondContact O-N 3Å; I77-L79 VanDerWaalsContact C-N 3.34Å; I77-L79 PolarHBondContact O-N 3.37Å; L79-T83 VanDerWaalsContact O-CB 3.3Å; L79-T83 WeakPolarHBondContact O-CB 3.3Å; L79-T83 PolarHBondContact O-N 2.63Å; L79-T83 PolarHBondContact O-OG1 2.86Å; L79-Y108 HydrophobicContact CD2-CD1 4.14Å; L79-Y108 WeakPolarHBondContact CD2-O 3.33Å; L79-A112 HydrophobicContact CD1-CB 4.05Å; L79-A112 HydrophobicContact CD2-CB 4.12Å; L79-L115 HydrophobicContact CD1-CD1 4.1Å; L79-I117 HydrophobicContact CD1-CD1 4.08Å; L79-I120 HydrophobicContact CB-CD1 4.27Å; L79-I120 HydrophobicContact CB-CG2 4.27Å; L79-I120 HydrophobicContact CD2-CG2 4.42Å; L79-L124 HydrophobicContact CD2-CD1 4.08Å
80	A	93.1	Very high	89.8	Confident	38 Å²	38	38.3 Å²	38.3	31%	0.314	20%	0.201	S	C	.	.	H	α-helix	trans	-66.3	-47.9	174.1	0	0	0	0	0	111.3	M1 L76 I77 T83 H84	M1-A80 HydrophobicContact CE-CB 4.07Å; L76-A80 WeakPolarHBondContact O-CB 3.34Å; L76-A80 PolarHBondContact O-N 2.98Å; I77-A80 WeakPolarHBondContact O-CB 3.41Å; I77-A80 PolarHBondContact O-N 2.75Å; I77-A80 VanDerWaalsContact O-N 3.07Å; A80-T83 WeakPolarHBondContact O-CB 3.41Å; A80-T83 PolarHBondContact O-N 2.95Å; A80-H84 PolarHBondContact O-N 3.16Å
81	D	92.5	Very high	90.4	Very high	18 Å²	18	35.6 Å²	35.6	10%	0.096	20%	0.2	C	C	.	.	H	α-helix	trans	-56.4	-52.4	173.5	166.5	38.8	0	0	0	110.9	H14 I77 K78 T83 H84 N85	H14-D81 IonicContact NE2-OD1 3.83Å; I77-D81 PolarHBondContact O-N 3.44Å; K78-D81 IonicContact NZ-OD2 3.93Å; K78-D81 PolarHBondContact NZ-OD2 3.41Å; D81-T83 VanDerWaalsContact C-N 3.29Å; D81-T83 PolarHBondContact O-N 2.91Å; D81-H84 WeakPolarHBondContact O-CA 3.49Å; D81-H84 WeakPolarHBondContact O-CB 3.45Å; D81-H84 PolarHBondContact O-N 3.19Å; D81-N85 PolarHBondContact O-N 3.49Å; D81-N85 PolarHBondContact O-ND2 3.43Å; D81-N85 PolarHBondContact OD1-ND2 2.84Å
82	R	92	Very high	90.8	Very high	22 Å²	22	36 Å²	36	8%	0.083	20%	0.202	C	C	.	.	H	α-helix	trans	-59.4	-39.5	178.3	-176.7	57.3	65	132.1	-1.7	112.4	K78 N85 M86 E103 Y108 L124	K78-R82 VanDerWaalsContact O-CB 3.27Å; K78-R82 WeakPolarHBondContact O-CB 3.35Å; K78-R82 PolarHBondContact O-N 3.06Å; R82-N85 PolarHBondContact O-N 3.34Å; R82-M86 WeakPolarHBondContact O-CB 3.36Å; R82-M86 VanDerWaalsContact O-CG 3.27Å; R82-M86 WeakPolarHBondContact O-CG 3.41Å; R82-M86 PolarHBondContact O-N 3.19Å; R82-E103 IonicContact CZ-OE1 3.46Å; R82-E103 IonicContact CZ-OE2 3.51Å; R82-E103 VanDerWaalsContact NH1-CD 3.26Å; R82-E103 IonicContact NH1-OE1 2.92Å; R82-E103 IonicContact NH1-OE2 3.95Å; R82-E103 PolarHBondContact NH1-OE2 2.9Å; R82-E103 IonicContact NH2-OE1 3.5Å; R82-E103 PolarHBondContact NH2-OE1 3.01Å; R82-E103 IonicContact NH2-OE2 3.37Å; R82-E103 PolarHBondContact NH2-OE2 2.8Å; R82-Y108 HydrophobicContact CB-CD1 3.94Å; R82-Y108 HydrophobicContact CB-CE1 4.14Å; R82-Y108 HydrophobicContact CB-CG 4.31Å; R82-Y108 HydrophobicContact CG-CD1 3.86Å; R82-Y108 HydrophobicContact CG-CD2 3.97Å; R82-Y108 HydrophobicContact CG-CE1 4.23Å; R82-Y108 HydrophobicContact CG-CE2 4.34Å; R82-Y108 HydrophobicContact CG-CG 3.71Å; R82-Y108 VanDerWaalsContact NH2-CE2 3.29Å; R82-Y108 VanDerWaalsContact NH2-CZ 3.34Å; R82-Y108 PolarHBondContact NH2-OH 2.82Å; R82-L124 HydrophobicContact CG-CD2 4.24Å
83	T	94.5	Very high	91.1	Very high	4 Å²	4	43.3 Å²	43.3	3%	0.025	23%	0.227	C	C	.	.	H	α-helix	trans	-61.9	-45.2	174.8	-59.1	0	0	0	0	111.1	L79 A80 D81 M86 R87 E123 L124	L79-T83 VanDerWaalsContact O-CB 3.3Å; L79-T83 WeakPolarHBondContact O-CB 3.3Å; L79-T83 PolarHBondContact O-N 2.63Å; L79-T83 PolarHBondContact O-OG1 2.86Å; A80-T83 WeakPolarHBondContact O-CB 3.41Å; A80-T83 PolarHBondContact O-N 2.95Å; D81-T83 VanDerWaalsContact C-N 3.29Å; D81-T83 PolarHBondContact O-N 2.91Å; T83-M86 PolarHBondContact O-N 2.8Å; T83-R87 WeakPolarHBondContact O-CG 3.41Å; T83-R87 PolarHBondContact O-N 3.09Å; T83-E123 HydrophobicContact CG2-CG 4.11Å; T83-E123 WeakPolarHBondContact CG2-OE2 3.22Å; T83-L124 WeakPolarHBondContact OG1-CD2 3.49Å
84	H	94.4	Very high	91.2	Very high	104 Å²	104	45.5 Å²	45.5	48%	0.481	25%	0.246	S	C	.	.	H	α-helix	trans	-60.1	-46.8	175.2	177.3	-109.5	0	0	0	112.1	A80 D81 M86 R87 T88	A80-H84 PolarHBondContact O-N 3.16Å; D81-H84 WeakPolarHBondContact O-CA 3.49Å; D81-H84 WeakPolarHBondContact O-CB 3.45Å; D81-H84 PolarHBondContact O-N 3.19Å; H84-M86 VanDerWaalsContact C-N 3.27Å; H84-M86 PolarHBondContact O-N 2.79Å; H84-R87 WeakPolarHBondContact O-CB 3.25Å; H84-R87 PolarHBondContact O-N 2.82Å; H84-R87 VanDerWaalsContact O-N 3.09Å; H84-T88 PolarHBondContact O-N 2.98Å; H84-T88 VanDerWaalsContact O-N 3.1Å; H84-T88 PolarHBondContact O-OG1 3.08Å
85	N	91.9	Very high	91.4	Very high	61 Å²	61	49.7 Å²	49.7	33%	0.326	27%	0.268	S	S	.	.	H	α-helix	trans	-59.6	-35.6	176	-71.8	-31.6	0	0	0	113	D81 R82 T88 L89	D81-N85 PolarHBondContact O-N 3.49Å; D81-N85 PolarHBondContact O-ND2 3.43Å; D81-N85 PolarHBondContact OD1-ND2 2.84Å; R82-N85 PolarHBondContact O-N 3.34Å; N85-T88 PolarHBondContact O-OG1 3.18Å; N85-L89 PolarHBondContact O-N 2.72Å
86	M	94.9	Very high	91.5	Very high	6 Å²	6	54 Å²	54	3%	0.03	29%	0.287	C	S	.	.	H	α-helix	trans	-71.8	-34.9	175.7	-74.1	-60.2	-55.3	0	0	112.5	R82 T83 H84 T88 L89 I100 A101 T104 L124 L127 A131	R82-M86 WeakPolarHBondContact O-CB 3.36Å; R82-M86 VanDerWaalsContact O-CG 3.27Å; R82-M86 WeakPolarHBondContact O-CG 3.41Å; R82-M86 PolarHBondContact O-N 3.19Å; T83-M86 PolarHBondContact O-N 2.8Å; H84-M86 VanDerWaalsContact C-N 3.27Å; H84-M86 PolarHBondContact O-N 2.79Å; M86-T88 VanDerWaalsContact C-N 3.33Å; M86-L89 HydrophobicContact CE-CD2 3.98Å; M86-L89 WeakPolarHBondContact O-CB 3.15Å; M86-L89 HydrophobicContact SD-CD2 4.17Å; M86-I100 HydrophobicContact SD-CG2 3.79Å; M86-A101 HydrophobicContact CE-CB 4.26Å; M86-T104 HydrophobicContact CG-CG2 4Å; M86-T104 HydrophobicContact SD-CG2 4.18Å; M86-T104 PolarHBondContact SD-OG1 3.18Å; M86-L124 HydrophobicContact CB-CD2 4.44Å; M86-L124 HydrophobicContact CG-CD2 4.06Å; M86-L127 HydrophobicContact CB-CB 3.94Å; M86-L127 HydrophobicContact CB-CD1 3.71Å; M86-L127 HydrophobicContact CB-CG 4.45Å; M86-L127 VanDerWaalsContact CE-C 3.42Å; M86-L127 HydrophobicContact CE-CB 3.82Å; M86-L127 WeakPolarHBondContact CE-O 3.29Å; M86-A131 HydrophobicContact CE-CB 4.33Å
87	R	95.6	Very high	91.6	Very high	146 Å²	146	58.1 Å²	58.1	55%	0.551	30%	0.302	S	S	*	.	H	α-helix	trans	-66.5	-34.1	174.7	-69.1	169.4	-179.9	166.1	2.2	112.1	T83 H84 E123 L127	T83-R87 WeakPolarHBondContact O-CG 3.41Å; T83-R87 PolarHBondContact O-N 3.09Å; H84-R87 WeakPolarHBondContact O-CB 3.25Å; H84-R87 PolarHBondContact O-N 2.82Å; H84-R87 VanDerWaalsContact O-N 3.09Å; R87-E123 IonicContact CZ-OE1 3.69Å; R87-E123 IonicContact CZ-OE2 2.87Å; R87-E123 IonicContact NE-OE1 3.2Å; R87-E123 PolarHBondContact NE-OE1 3.21Å; R87-E123 IonicContact NE-OE2 2.71Å; R87-E123 IonicContact NH2-OE1 3.51Å; R87-E123 PolarHBondContact NH2-OE1 2.81Å; R87-E123 IonicContact NH2-OE2 2.71Å; R87-E123 PolarHBondContact NH2-OE2 3.23Å; R87-L127 HydrophobicContact CG-CD1 3.77Å
88	T	93.3	Very high	91.6	Very high	70 Å²	70	64.1 Å²	64.1	43%	0.429	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	8.2	-176.3	59.2	0	0	0	0	114	H84 N85 M86 G90	H84-T88 PolarHBondContact O-N 2.98Å; H84-T88 VanDerWaalsContact O-N 3.1Å; H84-T88 PolarHBondContact O-OG1 3.08Å; N85-T88 PolarHBondContact O-OG1 3.18Å; M86-T88 VanDerWaalsContact C-N 3.33Å; T88-G90 PolarHBondContact O-N 3.02Å
89	L	90.2	Very high	91.5	Very high	9 Å²	9	70.7 Å²	70.7	5%	0.047	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-61.6	-17.5	-172.3	-158.1	73.4	0	0	0	114.8	N85 M86 S91 L92 R97 I100 A131	N85-L89 PolarHBondContact O-N 2.72Å; M86-L89 HydrophobicContact CE-CD2 3.98Å; M86-L89 WeakPolarHBondContact O-CB 3.15Å; M86-L89 HydrophobicContact SD-CD2 4.17Å; L89-S91 PolarHBondContact O-N 3.05Å; L89-L92 HydrophobicContact CD1-CD1 3.86Å; L89-L92 PolarHBondContact O-N 3.49Å; L89-R97 HydrophobicContact CD2-CB 3.81Å; L89-R97 HydrophobicContact CD2-CG 4.23Å; L89-R97 HydrophobicContact CG-CB 4.06Å; L89-R97 HydrophobicContact CG-CG 3.96Å; L89-R97 WeakPolarHBondContact O-CD 3.26Å; L89-R97 WeakPolarHBondContact O-CG 3.44Å; L89-R97 PolarHBondContact O-NE 2.81Å; L89-I100 HydrophobicContact CD1-CB 4.01Å; L89-I100 HydrophobicContact CD1-CD1 3.85Å; L89-I100 HydrophobicContact CD1-CG2 3.81Å; L89-A131 HydrophobicContact CD2-CB 3.43Å; L89-A131 VanDerWaalsContact CD2-CB 3.43Å
90	G	86.3	Confident	91.5	Very high	52 Å²	52	71.7 Å²	71.7	54%	0.536	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-59.7	-25.9	-173.9	0	0	0	0	0	115.4	T88 R97	T88-G90 PolarHBondContact O-N 3.02Å; G90-R97 PolarHBondContact O-NH2 2.66Å
91	S	88.4	Confident	91.4	Very high	106 Å²	106	69.9 Å²	69.9	74%	0.741	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-77	-19.5	-179.5	60	0	0	0	0	113.8	L89	L89-S91 PolarHBondContact O-N 3.05Å
92	L	90.3	Very high	91.3	Very high	45 Å²	45	75.5 Å²	75.5	24%	0.236	36%	0.359	C	S	.	.	S	Bend	trans	-80.5	164.7	-174.7	-58.4	-179.3	0	0	0	112.3	L89 K96 R97 I100	L89-L92 HydrophobicContact CD1-CD1 3.86Å; L89-L92 PolarHBondContact O-N 3.49Å; L92-K96 HydrophobicContact CB-CB 4.38Å; L92-K96 HydrophobicContact CB-CD 4.39Å; L92-K96 HydrophobicContact CD1-CD 3.91Å; L92-K96 HydrophobicContact CD1-CG 4.08Å; L92-K96 HydrophobicContact CD2-CD 4.1Å; L92-K96 HydrophobicContact CG-CD 4.37Å; L92-R97 HydrophobicContact CB-CG 4.04Å; L92-R97 PolarHBondContact O-NE 3.22Å; L92-R97 PolarHBondContact O-NH2 2.99Å; L92-I100 HydrophobicContact CD1-CD1 3.68Å
93	R	91.8	Very high	91	Very high	184 Å²	184	76.6 Å²	76.6	69%	0.694	37%	0.366	S	S	*	.			trans	-67.9	147.8	171.3	-65.6	171.3	51.3	165.2	4.4	111.7	D95 K96 R97	R93-D95 VanDerWaalsContact C-N 3.27Å; R93-D95 WeakPolarHBondContact CB-OD1 3.43Å; R93-D95 IonicContact NE-OD1 3.04Å; R93-D95 PolarHBondContact NE-OD1 3.32Å; R93-D95 PolarHBondContact O-N 3.17Å; R93-D95 VanDerWaalsContact O-N 3.13Å; R93-K96 PolarHBondContact O-N 3.03Å; R93-R97 WeakPolarHBondContact O-CG 3.46Å; R93-R97 PolarHBondContact O-N 2.83Å
94	P	90.2	Very high	90.8	Very high	78 Å²	78	76.4 Å²	76.4	51%	0.506	36%	0.364	S	S	.	.	H	α-helix	trans	-54.8	-34.1	-175	-28.5	35.4	0	0	0	115.6	R97 R98	P94-R97 PolarHBondContact O-N 2.83Å; P94-R98 WeakPolarHBondContact O-CG 3.44Å; P94-R98 PolarHBondContact O-N 3.24Å
95	D	90.6	Very high	90.6	Very high	92 Å²	92	72.2 Å²	72.2	49%	0.492	35%	0.345	S	S	.	.	H	α-helix	trans	-64.8	-45.8	175.8	58.5	-66	0	0	0	111.8	R93 R98 R99	R93-D95 VanDerWaalsContact C-N 3.27Å; R93-D95 WeakPolarHBondContact CB-OD1 3.43Å; R93-D95 IonicContact NE-OD1 3.04Å; R93-D95 PolarHBondContact NE-OD1 3.32Å; R93-D95 PolarHBondContact O-N 3.17Å; R93-D95 VanDerWaalsContact O-N 3.13Å; D95-R98 PolarHBondContact O-N 2.88Å; D95-R99 WeakPolarHBondContact O-CB 3.29Å; D95-R99 PolarHBondContact O-N 2.82Å
96	K	89.4	Confident	90	Very high	92 Å²	92	73.8 Å²	73.8	40%	0.4	35%	0.351	S	S	.	.	H	α-helix	trans	-65.3	-40.3	176.1	-166.1	176.6	179.4	-170.4	0	111	L92 R93 R99 I100	L92-K96 HydrophobicContact CB-CB 4.38Å; L92-K96 HydrophobicContact CB-CD 4.39Å; L92-K96 HydrophobicContact CD1-CD 3.91Å; L92-K96 HydrophobicContact CD1-CG 4.08Å; L92-K96 HydrophobicContact CD2-CD 4.1Å; L92-K96 HydrophobicContact CG-CD 4.37Å; R93-K96 PolarHBondContact O-N 3.03Å; K96-R99 PolarHBondContact O-N 2.82Å; K96-I100 HydrophobicContact CG-CD1 3.98Å; K96-I100 WeakPolarHBondContact O-CG1 3.4Å; K96-I100 PolarHBondContact O-N 3.47Å
97	R	92.1	Very high	89.4	Confident	85 Å²	85	75 Å²	75	32%	0.321	36%	0.357	S	S	.	.	H	α-helix	trans	-58.4	-51.9	175	-58	-168.9	-152.7	163.7	6.6	111.6	L89 G90 L92 R93 P94 R99 I100 A101	L89-R97 HydrophobicContact CD2-CB 3.81Å; L89-R97 HydrophobicContact CD2-CG 4.23Å; L89-R97 HydrophobicContact CG-CB 4.06Å; L89-R97 HydrophobicContact CG-CG 3.96Å; L89-R97 WeakPolarHBondContact O-CD 3.26Å; L89-R97 WeakPolarHBondContact O-CG 3.44Å; L89-R97 PolarHBondContact O-NE 2.81Å; G90-R97 PolarHBondContact O-NH2 2.66Å; L92-R97 HydrophobicContact CB-CG 4.04Å; L92-R97 PolarHBondContact O-NE 3.22Å; L92-R97 PolarHBondContact O-NH2 2.99Å; R93-R97 WeakPolarHBondContact O-CG 3.46Å; R93-R97 PolarHBondContact O-N 2.83Å; P94-R97 PolarHBondContact O-N 2.83Å; R97-R99 VanDerWaalsContact C-N 3.31Å; R97-R99 PolarHBondContact O-N 2.83Å; R97-I100 PolarHBondContact O-N 3.48Å; R97-A101 VanDerWaalsContact O-CB 3.22Å; R97-A101 WeakPolarHBondContact O-CB 3.44Å; R97-A101 PolarHBondContact O-N 3.48Å
98	R	91.3	Very high	89	Confident	131 Å²	131	68.6 Å²	68.6	49%	0.494	33%	0.333	S	S	.	.	H	α-helix	trans	-62.1	-37.6	179.8	-73.9	178.4	-178.6	158.5	4	112.6	P94 D95 R102 L132	P94-R98 WeakPolarHBondContact O-CG 3.44Å; P94-R98 PolarHBondContact O-N 3.24Å; D95-R98 PolarHBondContact O-N 2.88Å; R98-R102 WeakPolarHBondContact O-CB 3.15Å; R98-R102 PolarHBondContact O-N 3.19Å; R98-L132 HydrophobicContact CB-CD1 4.18Å; R98-L132 HydrophobicContact CG-CD1 4.37Å
99	R	88.4	Confident	88.8	Confident	142 Å²	142	65.4 Å²	65.4	54%	0.536	31%	0.314	S	S	.	.	H	α-helix	trans	-63.3	-51.6	176.9	-174.8	-174.7	67.2	121.8	5.1	111.3	D95 K96 R97 A101 R102 E103	D95-R99 WeakPolarHBondContact O-CB 3.29Å; D95-R99 PolarHBondContact O-N 2.82Å; K96-R99 PolarHBondContact O-N 2.82Å; R97-R99 VanDerWaalsContact C-N 3.31Å; R97-R99 PolarHBondContact O-N 2.83Å; R99-A101 VanDerWaalsContact C-N 3.34Å; R99-R102 PolarHBondContact O-N 2.97Å; R99-E103 PolarHBondContact O-N 3.34Å; R99-E103 VanDerWaalsContact O-N 3.07Å
100	I	89.8	Confident	88.6	Confident	21 Å²	21	65.4 Å²	65.4	11%	0.108	31%	0.314	C	S	.	.	H	α-helix	trans	-62.9	-43.1	178.8	-66	170.1	0	0	0	110	M86 L89 L92 K96 R97 R102 E103 T104	M86-I100 HydrophobicContact SD-CG2 3.79Å; L89-I100 HydrophobicContact CD1-CB 4.01Å; L89-I100 HydrophobicContact CD1-CD1 3.85Å; L89-I100 HydrophobicContact CD1-CG2 3.81Å; L92-I100 HydrophobicContact CD1-CD1 3.68Å; K96-I100 HydrophobicContact CG-CD1 3.98Å; K96-I100 WeakPolarHBondContact O-CG1 3.4Å; K96-I100 PolarHBondContact O-N 3.47Å; R97-I100 PolarHBondContact O-N 3.48Å; I100-R102 PolarHBondContact O-N 2.86Å; I100-E103 WeakPolarHBondContact O-CB 3.27Å; I100-E103 PolarHBondContact O-N 2.83Å; I100-T104 WeakPolarHBondContact O-CB 3.43Å; I100-T104 PolarHBondContact O-N 3.33Å; I100-T104 PolarHBondContact O-OG1 3.07Å
101	A	92.4	Very high	88.5	Confident	0 Å²	0	63 Å²	63	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-61.7	-40.6	177.5	0	0	0	0	0	113.1	M86 R97 R99 T104 L105 A131 L132	M86-A101 HydrophobicContact CE-CB 4.26Å; R97-A101 VanDerWaalsContact O-CB 3.22Å; R97-A101 WeakPolarHBondContact O-CB 3.44Å; R97-A101 PolarHBondContact O-N 3.48Å; R99-A101 VanDerWaalsContact C-N 3.34Å; A101-T104 PolarHBondContact O-N 3.26Å; A101-L105 WeakPolarHBondContact O-CG 3.45Å; A101-L105 PolarHBondContact O-N 3.32Å; A101-A131 HydrophobicContact CB-CB 3.58Å; A101-L132 HydrophobicContact CB-CB 4.07Å
102	R	89.7	Confident	88.6	Confident	135 Å²	135	57.9 Å²	57.9	51%	0.509	25%	0.253	S	S	.	.	H	α-helix	trans	-62.8	-48.6	175	-176.5	-179.2	-58	166.9	1.5	111.1	R98 R99 I100 T104 L105 E106 L132	R98-R102 WeakPolarHBondContact O-CB 3.15Å; R98-R102 PolarHBondContact O-N 3.19Å; R99-R102 PolarHBondContact O-N 2.97Å; I100-R102 PolarHBondContact O-N 2.86Å; R102-T104 VanDerWaalsContact C-N 3.29Å; R102-T104 PolarHBondContact O-N 3.14Å; R102-L105 PolarHBondContact O-N 3.39Å; R102-E106 WeakPolarHBondContact CD-OE1 3.43Å; R102-E106 VanDerWaalsContact CG-CD 3.47Å; R102-E106 HydrophobicContact CG-CG 4.18Å; R102-E106 WeakPolarHBondContact CG-OE1 3.29Å; R102-E106 WeakPolarHBondContact O-CB 3.38Å; R102-E106 WeakPolarHBondContact O-CG 3.48Å; R102-E106 PolarHBondContact O-N 2.98Å; R102-L132 HydrophobicContact CB-CD1 4.44Å
103	E	86.1	Confident	88.4	Confident	46 Å²	46	59.2 Å²	59.2	22%	0.215	26%	0.258	C	S	.	.	H	α-helix	trans	-57.6	-43.8	175.9	-170.1	-164.1	168	0	0	111.3	R82 R99 I100 L105 E106 I107 Y108	R82-E103 IonicContact CZ-OE1 3.46Å; R82-E103 IonicContact CZ-OE2 3.51Å; R82-E103 VanDerWaalsContact NH1-CD 3.26Å; R82-E103 IonicContact NH1-OE1 2.92Å; R82-E103 IonicContact NH1-OE2 3.95Å; R82-E103 PolarHBondContact NH1-OE2 2.9Å; R82-E103 IonicContact NH2-OE1 3.5Å; R82-E103 PolarHBondContact NH2-OE1 3.01Å; R82-E103 IonicContact NH2-OE2 3.37Å; R82-E103 PolarHBondContact NH2-OE2 2.8Å; R99-E103 PolarHBondContact O-N 3.34Å; R99-E103 VanDerWaalsContact O-N 3.07Å; I100-E103 WeakPolarHBondContact O-CB 3.27Å; I100-E103 PolarHBondContact O-N 2.83Å; E103-L105 PolarHBondContact O-N 3.36Å; E103-E106 PolarHBondContact O-N 2.8Å; E103-I107 HydrophobicContact CG-CD1 4.08Å; E103-I107 WeakPolarHBondContact O-CB 3.02Å; E103-I107 PolarHBondContact O-N 3.25Å; E103-Y108 HydrophobicContact CG-CD2 4.48Å; E103-Y108 HydrophobicContact CG-CE2 4Å; E103-Y108 WeakPolarHBondContact OE1-CE2 3.13Å
104	T	90.4	Very high	88	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	23%	0.234	C	C	.	.	I	π-helix	trans	-58	-46.3	175.3	-62.9	0	0	0	0	112.4	M86 I100 A101 R102 Y108 S109 L124	M86-T104 HydrophobicContact CG-CG2 4Å; M86-T104 HydrophobicContact SD-CG2 4.18Å; M86-T104 PolarHBondContact SD-OG1 3.18Å; I100-T104 WeakPolarHBondContact O-CB 3.43Å; I100-T104 PolarHBondContact O-N 3.33Å; I100-T104 PolarHBondContact O-OG1 3.07Å; A101-T104 PolarHBondContact O-N 3.26Å; R102-T104 VanDerWaalsContact C-N 3.29Å; R102-T104 PolarHBondContact O-N 3.14Å; T104-Y108 PolarHBondContact O-N 3.39Å; T104-Y108 VanDerWaalsContact O-N 3.16Å; T104-S109 PolarHBondContact O-N 3.46Å; T104-L124 HydrophobicContact CG2-CB 3.78Å; T104-L124 HydrophobicContact CG2-CD1 4.42Å; T104-L124 HydrophobicContact CG2-CD2 3.75Å; T104-L124 HydrophobicContact CG2-CG 4.19Å
105	L	88.7	Confident	87.8	Confident	15 Å²	15	49.1 Å²	49.1	8%	0.079	21%	0.21	C	C	.	.	I	π-helix	trans	-73.5	-32.5	-179.3	-68.8	174.8	0	0	0	113.2	A101 R102 E103 P110 E125 L132 Y183	A101-L105 WeakPolarHBondContact O-CG 3.45Å; A101-L105 PolarHBondContact O-N 3.32Å; R102-L105 PolarHBondContact O-N 3.39Å; E103-L105 PolarHBondContact O-N 3.36Å; L105-P110 VanDerWaalsContact O-CD 3.24Å; L105-P110 WeakPolarHBondContact O-CD 3.4Å; L105-P110 WeakPolarHBondContact O-CG 3.34Å; L105-E125 HydrophobicContact CD2-CB 4.42Å; L105-E125 HydrophobicContact CD2-CG 4.24Å; L105-L132 HydrophobicContact CD1-CB 4.46Å; L105-L132 HydrophobicContact CD1-CD2 3.75Å; L105-Y183 HydrophobicContact CD1-CE2 4.16Å; L105-Y183 HydrophobicContact CD2-CE1 4.04Å; L105-Y183 HydrophobicContact CD2-CE2 4.3Å
106	E	81.1	Confident	87.5	Confident	94 Å²	94	44.9 Å²	44.9	44%	0.439	19%	0.188	S	C	.	.	I	π-helix	trans	-86.4	-24.3	-177.5	-71.7	177.2	-173	0	0	113.4	R102 E103 F326	R102-E106 WeakPolarHBondContact CD-OE1 3.43Å; R102-E106 VanDerWaalsContact CG-CD 3.47Å; R102-E106 HydrophobicContact CG-CG 4.18Å; R102-E106 WeakPolarHBondContact CG-OE1 3.29Å; R102-E106 WeakPolarHBondContact O-CB 3.38Å; R102-E106 WeakPolarHBondContact O-CG 3.48Å; R102-E106 PolarHBondContact O-N 2.98Å; E103-E106 PolarHBondContact O-N 2.8Å; E106-F326 WeakPolarHBondContact O-CZ 3.36Å
107	I	80.6	Confident	87.4	Confident	31 Å²	31	40.5 Å²	40.5	16%	0.159	17%	0.169	C	C	.	.	I	π-helix	trans	-122.6	-64.9	-173.7	-66.3	171	0	0	0	111.4	F61 M64 E103 P110 L111	F61-I107 HydrophobicContact CD2-CD1 4.18Å; F61-I107 HydrophobicContact CD2-CG1 4.41Å; F61-I107 HydrophobicContact CD2-CG2 3.87Å; F61-I107 HydrophobicContact CE2-CB 4.48Å; F61-I107 HydrophobicContact CE2-CG1 4.29Å; F61-I107 HydrophobicContact CE2-CG2 3.58Å; M64-I107 HydrophobicContact CE-CG2 4.13Å; E103-I107 HydrophobicContact CG-CD1 4.08Å; E103-I107 WeakPolarHBondContact O-CB 3.02Å; E103-I107 PolarHBondContact O-N 3.25Å; I107-P110 WeakPolarHBondContact O-CD 3.38Å; I107-L111 HydrophobicContact CG2-CD1 3.66Å; I107-L111 WeakPolarHBondContact O-CB 3.11Å; I107-L111 WeakPolarHBondContact O-CG 3.32Å; I107-L111 PolarHBondContact O-N 3.42Å
108	Y	87.7	Confident	87.3	Confident	13 Å²	13	38.4 Å²	38.4	5%	0.051	16%	0.163	C	C	.	.	I	π-helix	trans	-72.3	-40.3	-166.5	-66.4	-90.7	0	0	0	113.7	M64 K78 L79 R82 E103 T104 L111 A112	M64-Y108 HydrophobicContact SD-CE1 4.43Å; K78-Y108 HydrophobicContact CG-CE1 4.04Å; L79-Y108 HydrophobicContact CD2-CD1 4.14Å; L79-Y108 WeakPolarHBondContact CD2-O 3.33Å; R82-Y108 HydrophobicContact CB-CD1 3.94Å; R82-Y108 HydrophobicContact CB-CE1 4.14Å; R82-Y108 HydrophobicContact CB-CG 4.31Å; R82-Y108 HydrophobicContact CG-CD1 3.86Å; R82-Y108 HydrophobicContact CG-CD2 3.97Å; R82-Y108 HydrophobicContact CG-CE1 4.23Å; R82-Y108 HydrophobicContact CG-CE2 4.34Å; R82-Y108 HydrophobicContact CG-CG 3.71Å; R82-Y108 VanDerWaalsContact NH2-CE2 3.29Å; R82-Y108 VanDerWaalsContact NH2-CZ 3.34Å; R82-Y108 PolarHBondContact NH2-OH 2.82Å; E103-Y108 HydrophobicContact CG-CD2 4.48Å; E103-Y108 HydrophobicContact CG-CE2 4Å; E103-Y108 WeakPolarHBondContact OE1-CE2 3.13Å; T104-Y108 PolarHBondContact O-N 3.39Å; T104-Y108 VanDerWaalsContact O-N 3.16Å; Y108-L111 PolarHBondContact O-N 3.43Å; Y108-A112 WeakPolarHBondContact O-CB 3.35Å; Y108-A112 PolarHBondContact O-N 2.78Å
109	S	89.6	Confident	87.1	Confident	3 Å²	3	35 Å²	35	2%	0.021	15%	0.153	C	C	.	.	H	α-helix	trans	-62.6	-50	174.4	161.2	0	0	0	0	112	T104 L111 A112 H113 E125	T104-S109 PolarHBondContact O-N 3.46Å; S109-L111 VanDerWaalsContact C-N 3.3Å; S109-L111 PolarHBondContact O-N 3.01Å; S109-A112 PolarHBondContact O-N 3.15Å; S109-H113 WeakPolarHBondContact O-CB 3.31Å; S109-H113 PolarHBondContact O-N 2.87Å; S109-E125 WeakPolarHBondContact OG-CG 3.41Å; S109-E125 PolarHBondContact OG-OE1 3.05Å
110	P	85.2	Confident	87.3	Confident	9 Å²	9	28.5 Å²	28.5	6%	0.058	13%	0.128	C	C	.	.	H	α-helix	trans	-57.8	-39.2	174.1	-26.2	32.3	0	0	0	113.6	L105 I107 H113 R114 L325 F326	L105-P110 VanDerWaalsContact O-CD 3.24Å; L105-P110 WeakPolarHBondContact O-CD 3.4Å; L105-P110 WeakPolarHBondContact O-CG 3.34Å; I107-P110 WeakPolarHBondContact O-CD 3.38Å; P110-H113 WeakPolarHBondContact O-CB 3.2Å; P110-H113 PolarHBondContact O-N 2.85Å; P110-R114 WeakPolarHBondContact O-CB 3.24Å; P110-R114 PolarHBondContact O-N 3.27Å; P110-L325 HydrophobicContact CB-CB 4.18Å; P110-F326 HydrophobicContact CB-CE1 3.91Å; P110-F326 HydrophobicContact CB-CE2 4.47Å; P110-F326 HydrophobicContact CB-CZ 3.88Å; P110-F326 HydrophobicContact CG-CD1 4.34Å; P110-F326 HydrophobicContact CG-CE1 3.32Å; P110-F326 HydrophobicContact CG-CE2 4.16Å; P110-F326 HydrophobicContact CG-CZ 3.21Å
111	L	85	Confident	87.5	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-61.9	-49.4	173.7	-73.5	170.2	0	0	0	111.6	F61 M64 I65 M68 I75 I107 Y108 S109 H113 R114 L115 W300 L325	F61-L111 HydrophobicContact CE2-CD1 4.35Å; M64-L111 HydrophobicContact CE-CD1 3.55Å; M64-L111 HydrophobicContact SD-CD1 4.49Å; I65-L111 HydrophobicContact CD1-CD2 4.28Å; M68-L111 HydrophobicContact CE-CD2 4.23Å; I75-L111 HydrophobicContact CD1-CD1 4.27Å; I107-L111 HydrophobicContact CG2-CD1 3.66Å; I107-L111 WeakPolarHBondContact O-CB 3.11Å; I107-L111 WeakPolarHBondContact O-CG 3.32Å; I107-L111 PolarHBondContact O-N 3.42Å; Y108-L111 PolarHBondContact O-N 3.43Å; S109-L111 VanDerWaalsContact C-N 3.3Å; S109-L111 PolarHBondContact O-N 3.01Å; L111-H113 VanDerWaalsContact C-N 3.26Å; L111-H113 PolarHBondContact O-N 3.37Å; L111-R114 PolarHBondContact O-N 3.06Å; L111-R114 VanDerWaalsContact O-N 3.17Å; L111-L115 WeakPolarHBondContact O-CG 3.13Å; L111-L115 PolarHBondContact O-N 2.96Å; L111-W300 HydrophobicContact CD2-CH2 3.69Å; L111-W300 HydrophobicContact CD2-CZ2 4.41Å; L111-L325 HydrophobicContact CD2-CD1 4.3Å; L111-L325 HydrophobicContact CD2-CD2 3.74Å; L111-L325 HydrophobicContact CG-CD1 4.5Å; L111-L325 HydrophobicContact CG-CD2 4.31Å
112	A	89.5	Confident	87.5	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-58.8	-39.3	175.5	0	0	0	0	0	111.8	L79 Y108 S109 L115 G116 I117 I120 K121	L79-A112 HydrophobicContact CD1-CB 4.05Å; L79-A112 HydrophobicContact CD2-CB 4.12Å; Y108-A112 WeakPolarHBondContact O-CB 3.35Å; Y108-A112 PolarHBondContact O-N 2.78Å; S109-A112 PolarHBondContact O-N 3.15Å; A112-L115 PolarHBondContact O-N 2.79Å; A112-G116 PolarHBondContact O-N 2.95Å; A112-I117 PolarHBondContact O-N 3.1Å; A112-I120 HydrophobicContact CB-CB 4.46Å; A112-I120 HydrophobicContact CB-CG2 4.06Å; A112-K121 HydrophobicContact CB-CB 3.98Å
113	H	87.8	Confident	87.7	Confident	72 Å²	72	25.9 Å²	25.9	33%	0.333	12%	0.122	S	C	.	.	H	α-helix	trans	-62.4	-44.8	175.3	-179.3	-119.2	0	0	0	112.5	S109 P110 L111 L115 G116 K121 N243	S109-H113 WeakPolarHBondContact O-CB 3.31Å; S109-H113 PolarHBondContact O-N 2.87Å; P110-H113 WeakPolarHBondContact O-CB 3.2Å; P110-H113 PolarHBondContact O-N 2.85Å; L111-H113 VanDerWaalsContact C-N 3.26Å; L111-H113 PolarHBondContact O-N 3.37Å; H113-L115 VanDerWaalsContact C-N 3.32Å; H113-G116 PolarHBondContact O-N 3.4Å; H113-G116 VanDerWaalsContact O-N 3.07Å; H113-K121 HydrophobicContact CB-CD 3.74Å; H113-K121 HydrophobicContact CB-CG 4.07Å; H113-K121 PolarHBondContact CD2-NZ 3.24Å; H113-K121 VanDerWaalsContact CD2-NZ 3.34Å; H113-N243 VanDerWaalsContact O-CB 3.22Å; H113-N243 WeakPolarHBondContact O-CB 3.15Å; H113-N243 PolarHBondContact O-ND2 3.07Å
114	R	83	Confident	88.2	Confident	49 Å²	49	23.7 Å²	23.7	19%	0.185	11%	0.112	C	C	.	.	H	α-helix	trans	-66.3	-35.3	179.5	-166	67.5	175.7	176.9	5.8	112	P110 L111 G116 A242 N243 W300 L325 E329	P110-R114 WeakPolarHBondContact O-CB 3.24Å; P110-R114 PolarHBondContact O-N 3.27Å; L111-R114 PolarHBondContact O-N 3.06Å; L111-R114 VanDerWaalsContact O-N 3.17Å; R114-G116 PolarHBondContact O-N 3.41Å; R114-A242 VanDerWaalsContact NH1-CB 3.31Å; R114-N243 VanDerWaalsContact O-CB 3.32Å; R114-N243 WeakPolarHBondContact O-CB 3.45Å; R114-W300 HydrophobicContact CB-CH2 4.32Å; R114-W300 HydrophobicContact CB-CZ3 4.32Å; R114-W300 HydrophobicContact CG-CD2 3.62Å; R114-W300 HydrophobicContact CG-CE3 3.67Å; R114-W300 HydrophobicContact CG-CG 4.3Å; R114-W300 HydrophobicContact CG-CH2 3.96Å; R114-W300 HydrophobicContact CG-CZ2 3.89Å; R114-W300 HydrophobicContact CG-CZ3 3.83Å; R114-L325 HydrophobicContact CB-CD2 4.38Å; R114-E329 IonicContact NH1-OE1 2.8Å; R114-E329 PolarHBondContact NH1-OE1 3.06Å
115	L	84.8	Confident	88.4	Confident	1 Å²	1	24.5 Å²	24.5	1%	0.005	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-2.9	173.3	-63.8	177.3	0	0	0	113.6	I72 I75 L79 L111 A112 H113 I117 G276 V277 A297 W300 M301	I72-L115 HydrophobicContact CD1-CD2 4.11Å; I72-L115 HydrophobicContact CG1-CD2 4.49Å; I75-L115 HydrophobicContact CB-CD1 4.5Å; I75-L115 HydrophobicContact CG1-CD1 3.91Å; I75-L115 HydrophobicContact CG2-CD1 3.75Å; L79-L115 HydrophobicContact CD1-CD1 4.1Å; L111-L115 WeakPolarHBondContact O-CG 3.13Å; L111-L115 PolarHBondContact O-N 2.96Å; A112-L115 PolarHBondContact O-N 2.79Å; H113-L115 VanDerWaalsContact C-N 3.32Å; L115-I117 VanDerWaalsContact C-N 3.27Å; L115-I117 HydrophobicContact CB-CD1 3.95Å; L115-I117 HydrophobicContact CB-CG1 3.89Å; L115-I117 HydrophobicContact CD1-CD1 4.25Å; L115-I117 PolarHBondContact O-N 2.95Å; L115-G276 WeakPolarHBondContact O-CA 3.3Å; L115-V277 HydrophobicContact CB-CG2 3.99Å; L115-V277 HydrophobicContact CD2-CG1 4.44Å; L115-V277 HydrophobicContact CD2-CG2 4.41Å; L115-V277 PolarHBondContact O-N 3.48Å; L115-A297 HydrophobicContact CD2-CB 4.22Å; L115-W300 HydrophobicContact CD2-CZ3 4.15Å; L115-M301 HydrophobicContact CD2-CE 4.23Å
116	G	85	Confident	88.6	Confident	4 Å²	4	27 Å²	27	4%	0.041	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.5	9.2	179.5	0	0	0	0	0	114.6	A112 H113 R114 H118 G276	A112-G116 PolarHBondContact O-N 2.95Å; H113-G116 PolarHBondContact O-N 3.4Å; H113-G116 VanDerWaalsContact O-N 3.07Å; R114-G116 PolarHBondContact O-N 3.41Å; G116-H118 VanDerWaalsContact C-N 3.27Å; G116-H118 PolarHBondContact O-N 3.24Å; G116-G276 VanDerWaalsContact C-CA 3.48Å; G116-G276 VanDerWaalsContact O-CA 3.26Å; G116-G276 WeakPolarHBondContact O-CA 3.33Å; G116-G276 PolarHBondContact O-N 3.06Å; G116-G276 VanDerWaalsContact O-N 3.15Å
117	I	88.1	Confident	89.3	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.115	C	C	.	.			trans	-85	72.4	-175.2	-44	174.5	0	0	0	109.3	L76 L79 A112 L115 H119 I120 K121 V277	L76-I117 HydrophobicContact CD2-CD1 3.24Å; L79-I117 HydrophobicContact CD1-CD1 4.08Å; A112-I117 PolarHBondContact O-N 3.1Å; L115-I117 VanDerWaalsContact C-N 3.27Å; L115-I117 HydrophobicContact CB-CD1 3.95Å; L115-I117 HydrophobicContact CB-CG1 3.89Å; L115-I117 HydrophobicContact CD1-CD1 4.25Å; L115-I117 PolarHBondContact O-N 2.95Å; I117-H119 VanDerWaalsContact C-N 3.32Å; I117-H119 WeakPolarHBondContact CG2-CE1 3.49Å; I117-H119 PolarHBondContact O-N 3.45Å; I117-I120 HydrophobicContact CG2-CB 3.9Å; I117-I120 HydrophobicContact CG2-CD1 3.86Å; I117-I120 HydrophobicContact CG2-CG1 3.74Å; I117-I120 PolarHBondContact O-N 3.04Å; I117-K121 PolarHBondContact O-N 2.95Å; I117-V277 HydrophobicContact CD1-CG2 4.13Å; I117-V277 HydrophobicContact CG1-CG2 4.23Å
118	H	88.3	Confident	90	Very high	41 Å²	41	22.7 Å²	22.7	19%	0.19	11%	0.108	C	C	.	.	H	α-helix	trans	-64.3	-32.4	-168.4	-171.6	74	0	0	0	113.7	G116 T122 R178 A273 E274	G116-H118 VanDerWaalsContact C-N 3.27Å; G116-H118 PolarHBondContact O-N 3.24Å; H118-T122 PolarHBondContact CD2-OG1 2.71Å; H118-T122 PolarHBondContact CE1-OG1 3.36Å; H118-T122 PolarHBondContact NE2-OG1 3.42Å; H118-T122 WeakPolarHBondContact O-CB 3.26Å; H118-T122 PolarHBondContact O-N 2.84Å; H118-T122 PolarHBondContact O-OG1 3.48Å; H118-R178 PolarHBondContact CD2-NH2 2.85Å; H118-R178 PolarHBondContact NE2-NH2 3.4Å; H118-A273 WeakPolarHBondContact CB-O 3.5Å; H118-E274 PolarHBondContact N-O 3.27Å
119	H	88.9	Confident	90.4	Very high	59 Å²	59	22.1 Å²	22.1	27%	0.273	11%	0.105	S	C	.	.	H	α-helix	trans	-64.1	-50.5	177.5	73.8	-79.2	0	0	0	111.8	I117 K121 T122 E123 E274	I117-H119 VanDerWaalsContact C-N 3.32Å; I117-H119 WeakPolarHBondContact CG2-CE1 3.49Å; I117-H119 PolarHBondContact O-N 3.45Å; H119-K121 PolarHBondContact O-N 3.2Å; H119-T122 PolarHBondContact O-N 3.37Å; H119-E123 PolarHBondContact O-N 3.17Å; H119-E274 PolarHBondContact N-O 2.88Å; H119-E274 PolarHBondContact ND1-O 3.41Å
120	I	92.5	Very high	90.6	Very high	5 Å²	5	26 Å²	26	3%	0.026	12%	0.123	C	C	.	.	H	α-helix	trans	-60.7	-46.6	175.7	-67.5	-170.3	0	0	0	110.3	M1 L79 A112 I117 T122 E123 L124	M1-I120 HydrophobicContact CE-CD1 4.08Å; M1-I120 HydrophobicContact SD-CD1 3.74Å; L79-I120 HydrophobicContact CB-CD1 4.27Å; L79-I120 HydrophobicContact CB-CG2 4.27Å; L79-I120 HydrophobicContact CD2-CG2 4.42Å; A112-I120 HydrophobicContact CB-CB 4.46Å; A112-I120 HydrophobicContact CB-CG2 4.06Å; I117-I120 HydrophobicContact CG2-CB 3.9Å; I117-I120 HydrophobicContact CG2-CD1 3.86Å; I117-I120 HydrophobicContact CG2-CG1 3.74Å; I117-I120 PolarHBondContact O-N 3.04Å; I120-T122 VanDerWaalsContact C-N 3.33Å; I120-T122 PolarHBondContact O-N 2.96Å; I120-E123 PolarHBondContact O-N 3.37Å; I120-L124 HydrophobicContact CG2-CD1 3.65Å; I120-L124 HydrophobicContact CG2-CG 3.98Å; I120-L124 WeakPolarHBondContact O-CB 3.29Å; I120-L124 VanDerWaalsContact O-CG 3.3Å; I120-L124 WeakPolarHBondContact O-CG 3.34Å; I120-L124 PolarHBondContact O-N 3.05Å
121	K	92.9	Very high	91	Very high	29 Å²	29	26.6 Å²	26.6	13%	0.126	13%	0.128	C	C	.	.	H	α-helix	trans	-53	-52.6	177.5	-179.1	-149.8	172.2	174.8	0	111.1	A112 H113 I117 H119 E123 L124 E125	A112-K121 HydrophobicContact CB-CB 3.98Å; H113-K121 HydrophobicContact CB-CD 3.74Å; H113-K121 HydrophobicContact CB-CG 4.07Å; H113-K121 PolarHBondContact CD2-NZ 3.24Å; H113-K121 VanDerWaalsContact CD2-NZ 3.34Å; I117-K121 PolarHBondContact O-N 2.95Å; H119-K121 PolarHBondContact O-N 3.2Å; K121-E123 VanDerWaalsContact C-N 3.32Å; K121-E123 PolarHBondContact O-N 3.43Å; K121-L124 PolarHBondContact O-N 3.41Å; K121-E125 VanDerWaalsContact CE-CD 3.4Å; K121-E125 WeakPolarHBondContact CE-OE1 3.3Å; K121-E125 WeakPolarHBondContact CE-OE2 3.45Å; K121-E125 IonicContact NZ-OE1 2.63Å; K121-E125 WeakPolarHBondContact O-CB 3.34Å; K121-E125 WeakPolarHBondContact O-CG 3.17Å; K121-E125 PolarHBondContact O-N 3.23Å
122	T	92.3	Very high	91.4	Very high	22 Å²	22	27.4 Å²	27.4	14%	0.135	13%	0.133	C	C	.	.	H	α-helix	trans	-60.5	-44.3	-177.1	-57.3	0	0	0	0	110.9	H118 H119 I120 E125 E126 H181	H118-T122 PolarHBondContact CD2-OG1 2.71Å; H118-T122 PolarHBondContact CE1-OG1 3.36Å; H118-T122 PolarHBondContact NE2-OG1 3.42Å; H118-T122 WeakPolarHBondContact O-CB 3.26Å; H118-T122 PolarHBondContact O-N 2.84Å; H118-T122 PolarHBondContact O-OG1 3.48Å; H119-T122 PolarHBondContact O-N 3.37Å; I120-T122 VanDerWaalsContact C-N 3.33Å; I120-T122 PolarHBondContact O-N 2.96Å; T122-E125 PolarHBondContact O-N 3.49Å; T122-E126 WeakPolarHBondContact O-CG 3.35Å; T122-E126 PolarHBondContact O-N 2.91Å; T122-H181 HydrophobicContact CG2-CB 3.61Å
123	E	94.9	Very high	91.6	Very high	50 Å²	50	31.6 Å²	31.6	23%	0.234	15%	0.149	C	C	.	.	H	α-helix	trans	-65.6	-45.5	179.4	-179.3	167.7	-157.4	0	0	112.4	T83 R87 H119 I120 K121 E125 E126 L127	T83-E123 HydrophobicContact CG2-CG 4.11Å; T83-E123 WeakPolarHBondContact CG2-OE2 3.22Å; R87-E123 IonicContact CZ-OE1 3.69Å; R87-E123 IonicContact CZ-OE2 2.87Å; R87-E123 IonicContact NE-OE1 3.2Å; R87-E123 PolarHBondContact NE-OE1 3.21Å; R87-E123 IonicContact NE-OE2 2.71Å; R87-E123 IonicContact NH2-OE1 3.51Å; R87-E123 PolarHBondContact NH2-OE1 2.81Å; R87-E123 IonicContact NH2-OE2 2.71Å; R87-E123 PolarHBondContact NH2-OE2 3.23Å; H119-E123 PolarHBondContact O-N 3.17Å; I120-E123 PolarHBondContact O-N 3.37Å; K121-E123 VanDerWaalsContact C-N 3.32Å; K121-E123 PolarHBondContact O-N 3.43Å; E123-E125 VanDerWaalsContact C-N 3.28Å; E123-E125 PolarHBondContact O-N 2.91Å; E123-E126 PolarHBondContact O-N 3.38Å; E123-L127 HydrophobicContact CG-CD1 3.72Å; E123-L127 HydrophobicContact CG-CG 4.35Å; E123-L127 WeakPolarHBondContact O-CB 3.48Å; E123-L127 VanDerWaalsContact O-CG 3.3Å; E123-L127 WeakPolarHBondContact O-CG 2.98Å; E123-L127 PolarHBondContact O-N 3.34Å
124	L	95.2	Very high	91.8	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-61.2	-37.8	174.6	-71.5	-179.6	0	0	0	111.9	L79 R82 T83 M86 T104 I120 K121 G128	L79-L124 HydrophobicContact CD2-CD1 4.08Å; R82-L124 HydrophobicContact CG-CD2 4.24Å; T83-L124 WeakPolarHBondContact OG1-CD2 3.49Å; M86-L124 HydrophobicContact CB-CD2 4.44Å; M86-L124 HydrophobicContact CG-CD2 4.06Å; T104-L124 HydrophobicContact CG2-CB 3.78Å; T104-L124 HydrophobicContact CG2-CD1 4.42Å; T104-L124 HydrophobicContact CG2-CD2 3.75Å; T104-L124 HydrophobicContact CG2-CG 4.19Å; I120-L124 HydrophobicContact CG2-CD1 3.65Å; I120-L124 HydrophobicContact CG2-CG 3.98Å; I120-L124 WeakPolarHBondContact O-CB 3.29Å; I120-L124 VanDerWaalsContact O-CG 3.3Å; I120-L124 WeakPolarHBondContact O-CG 3.34Å; I120-L124 PolarHBondContact O-N 3.05Å; K121-L124 PolarHBondContact O-N 3.41Å; L124-G128 WeakPolarHBondContact O-CA 3.32Å; L124-G128 PolarHBondContact O-N 3.44Å
125	E	94.7	Very high	92.3	Very high	18 Å²	18	33.8 Å²	33.8	8%	0.084	17%	0.17	C	C	.	.	H	α-helix	trans	-66.3	-43.6	175.4	-78	-179.4	158	0	0	112.3	L105 S109 K121 T122 E123 F129 H181 Y183	L105-E125 HydrophobicContact CD2-CB 4.42Å; L105-E125 HydrophobicContact CD2-CG 4.24Å; S109-E125 WeakPolarHBondContact OG-CG 3.41Å; S109-E125 PolarHBondContact OG-OE1 3.05Å; K121-E125 VanDerWaalsContact CE-CD 3.4Å; K121-E125 WeakPolarHBondContact CE-OE1 3.3Å; K121-E125 WeakPolarHBondContact CE-OE2 3.45Å; K121-E125 IonicContact NZ-OE1 2.63Å; K121-E125 WeakPolarHBondContact O-CB 3.34Å; K121-E125 WeakPolarHBondContact O-CG 3.17Å; K121-E125 PolarHBondContact O-N 3.23Å; T122-E125 PolarHBondContact O-N 3.49Å; E123-E125 VanDerWaalsContact C-N 3.28Å; E123-E125 PolarHBondContact O-N 2.91Å; E125-F129 WeakPolarHBondContact O-CB 3.11Å; E125-F129 PolarHBondContact O-N 2.79Å; E125-H181 IonicContact OE2-CD2 3.3Å; E125-H181 IonicContact OE2-CE1 2.86Å; E125-H181 IonicContact OE2-NE2 3.79Å; E125-H181 PolarHBondContact OE2-NE2 3.19Å; E125-H181 VanDerWaalsContact OE2-NE2 3.1Å; E125-Y183 HydrophobicContact CB-CD1 3.65Å; E125-Y183 HydrophobicContact CB-CE1 4.41Å; E125-Y183 HydrophobicContact CB-CG 4.13Å; E125-Y183 HydrophobicContact CG-CD1 3.68Å; E125-Y183 HydrophobicContact CG-CE1 4.03Å
126	E	94	Very high	92.6	Very high	66 Å²	66	39.4 Å²	39.4	31%	0.308	19%	0.191	S	C	.	.	H	α-helix	trans	-67.4	-49.8	178.2	-73.3	-171	152.7	0	0	112.1	T122 E123 G128 F129 E130 H181	T122-E126 WeakPolarHBondContact O-CG 3.35Å; T122-E126 PolarHBondContact O-N 2.91Å; E123-E126 PolarHBondContact O-N 3.38Å; E126-G128 VanDerWaalsContact C-N 3.32Å; E126-G128 PolarHBondContact O-N 3.09Å; E126-F129 PolarHBondContact O-N 2.95Å; E126-E130 WeakPolarHBondContact O-CB 3.48Å; E126-E130 PolarHBondContact O-N 2.74Å; E126-H181 HydrophobicContact CG-CB 4.07Å; E126-H181 WeakPolarHBondContact OE1-CA 3.4Å; E126-H181 WeakPolarHBondContact OE1-CB 3.48Å
127	L	95.7	Very high	93	Very high	36 Å²	36	40.6 Å²	40.6	19%	0.188	20%	0.195	C	C	.	.	H	α-helix	trans	-63.8	-40.4	177.1	-65.7	169.6	0	0	0	111.1	M86 R87 E123 F129 E130 A131	M86-L127 HydrophobicContact CB-CB 3.94Å; M86-L127 HydrophobicContact CB-CD1 3.71Å; M86-L127 HydrophobicContact CB-CG 4.45Å; M86-L127 VanDerWaalsContact CE-C 3.42Å; M86-L127 HydrophobicContact CE-CB 3.82Å; M86-L127 WeakPolarHBondContact CE-O 3.29Å; R87-L127 HydrophobicContact CG-CD1 3.77Å; E123-L127 HydrophobicContact CG-CD1 3.72Å; E123-L127 HydrophobicContact CG-CG 4.35Å; E123-L127 WeakPolarHBondContact O-CB 3.48Å; E123-L127 VanDerWaalsContact O-CG 3.3Å; E123-L127 WeakPolarHBondContact O-CG 2.98Å; E123-L127 PolarHBondContact O-N 3.34Å; L127-F129 VanDerWaalsContact C-N 3.35Å; L127-E130 PolarHBondContact O-N 3.5Å; L127-A131 VanDerWaalsContact O-CB 3.3Å; L127-A131 WeakPolarHBondContact O-CB 3.48Å; L127-A131 PolarHBondContact O-N 3.37Å
128	G	95	Very high	93.3	Very high	0 Å²	0	48 Å²	48	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-62.1	-42.3	174.8	0	0	0	0	0	111.8	L124 E126 L132	L124-G128 WeakPolarHBondContact O-CA 3.32Å; L124-G128 PolarHBondContact O-N 3.44Å; E126-G128 VanDerWaalsContact C-N 3.32Å; E126-G128 PolarHBondContact O-N 3.09Å; G128-L132 WeakPolarHBondContact O-CB 3.27Å; G128-L132 PolarHBondContact O-N 3.35Å
129	F	95	Very high	93.5	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-66.5	-45.7	178.1	-178	-144.8	0	0	0	112.3	E125 E126 L127 A131 L132 Y133 R136 Y137 I140 L182 Y183 Y186	E125-F129 WeakPolarHBondContact O-CB 3.11Å; E125-F129 PolarHBondContact O-N 2.79Å; E126-F129 PolarHBondContact O-N 2.95Å; L127-F129 VanDerWaalsContact C-N 3.35Å; F129-A131 VanDerWaalsContact C-N 3.34Å; F129-A131 PolarHBondContact O-N 3.32Å; F129-L132 PolarHBondContact O-N 3.11Å; F129-Y133 AromaticContact CD2-CD2 3.93Å; F129-Y133 HydrophobicContact CD2-CD2 3.93Å; F129-Y133 AromaticContact CE2-CD2 4Å; F129-Y133 HydrophobicContact CE2-CD2 4Å; F129-Y133 HydrophobicContact CE2-CG 4.35Å; F129-Y133 CarbonylContact O-C 3.48Å; F129-Y133 PolarHBondContact O-N 2.96Å; F129-R136 HydrophobicContact CE2-CB 4.01Å; F129-R136 HydrophobicContact CZ-CB 3.92Å; F129-Y137 AromaticContact CD1-CD2 3.7Å; F129-Y137 HydrophobicContact CD1-CD2 3.7Å; F129-Y137 HydrophobicContact CD1-CG 4.41Å; F129-Y137 HydrophobicContact CE1-CD2 4.14Å; F129-Y137 HydrophobicContact CG-CD2 4.37Å; F129-I140 HydrophobicContact CE1-CD1 4.24Å; F129-I140 HydrophobicContact CZ-CD1 3.93Å; F129-L182 HydrophobicContact CD1-CB 4.24Å; F129-L182 HydrophobicContact CE1-CB 4.27Å; F129-Y183 HydrophobicContact CB-CD2 3.6Å; F129-Y183 HydrophobicContact CB-CE2 4.46Å; F129-Y183 HydrophobicContact CB-CG 4.14Å; F129-Y183 HydrophobicContact CD1-CD2 4.33Å; F129-Y183 AromaticContact CD2-CD2 3.88Å; F129-Y183 HydrophobicContact CD2-CD2 3.88Å; F129-Y183 HydrophobicContact CD2-CE2 4.45Å; F129-Y183 AromaticContact CG-CD2 3.7Å; F129-Y183 HydrophobicContact CG-CD2 3.7Å; F129-Y183 HydrophobicContact CG-CG 4.44Å; F129-Y186 HydrophobicContact CD2-CD1 4.22Å; F129-Y186 HydrophobicContact CE1-CG 4.38Å; F129-Y186 AromaticContact CE2-CD1 3.72Å; F129-Y186 HydrophobicContact CE2-CD1 3.72Å; F129-Y186 HydrophobicContact CE2-CD2 4.04Å; F129-Y186 HydrophobicContact CE2-CE1 4.14Å; F129-Y186 HydrophobicContact CE2-CE2 4.44Å; F129-Y186 AromaticContact CE2-CG 3.66Å; F129-Y186 HydrophobicContact CE2-CG 3.66Å; F129-Y186 HydrophobicContact CZ-CD1 4.12Å; F129-Y186 AromaticContact CZ-CD2 3.94Å; F129-Y186 HydrophobicContact CZ-CD2 3.94Å; F129-Y186 AromaticContact CZ-CG 3.6Å; F129-Y186 HydrophobicContact CZ-CG 3.6Å
130	E	94.7	Very high	93.4	Very high	86 Å²	86	47.9 Å²	47.9	40%	0.402	23%	0.228	S	C	.	.	H	α-helix	trans	-58.9	-45.3	176.9	-178.3	165.7	-177.3	0	0	111.5	E126 L127 P134 Y137	E126-E130 WeakPolarHBondContact O-CB 3.48Å; E126-E130 PolarHBondContact O-N 2.74Å; L127-E130 PolarHBondContact O-N 3.5Å; E130-P134 WeakPolarHBondContact O-CA 3.43Å; E130-P134 WeakPolarHBondContact O-CB 3.39Å; E130-P134 WeakPolarHBondContact O-CD 3.41Å; E130-Y137 HydrophobicContact CB-CD1 4.04Å; E130-Y137 HydrophobicContact CB-CD2 3.87Å; E130-Y137 HydrophobicContact CB-CE1 4.11Å; E130-Y137 HydrophobicContact CB-CE2 3.94Å; E130-Y137 HydrophobicContact CB-CG 3.91Å; E130-Y137 VanDerWaalsContact CD-CE1 3.47Å; E130-Y137 HydrophobicContact CG-CD1 3.8Å; E130-Y137 HydrophobicContact CG-CE1 3.77Å; E130-Y137 HydrophobicContact CG-CE2 4.5Å; E130-Y137 HydrophobicContact CG-CG 4.17Å; E130-Y137 WeakPolarHBondContact OE2-CE1 3.44Å; E130-Y137 VanDerWaalsContact OE2-CZ 3.23Å; E130-Y137 PolarHBondContact OE2-OH 3.44Å
131	A	94.2	Very high	93.4	Very high	20 Å²	20	52.3 Å²	52.3	17%	0.165	25%	0.247	C	C	.	.	H	α-helix	trans	-73.7	-36.9	-179.3	0	0	0	0	0	113.7	M86 L89 A101 L127 F129	M86-A131 HydrophobicContact CE-CB 4.33Å; L89-A131 HydrophobicContact CD2-CB 3.43Å; L89-A131 VanDerWaalsContact CD2-CB 3.43Å; A101-A131 HydrophobicContact CB-CB 3.58Å; L127-A131 VanDerWaalsContact O-CB 3.3Å; L127-A131 WeakPolarHBondContact O-CB 3.48Å; L127-A131 PolarHBondContact O-N 3.37Å; F129-A131 VanDerWaalsContact C-N 3.34Å; F129-A131 PolarHBondContact O-N 3.32Å
132	L	92.8	Very high	93.2	Very high	18 Å²	18	55.7 Å²	55.7	9%	0.094	26%	0.264	C	S	.	.	H	α-helix	trans	-80.2	-41.4	-177.7	-172.4	60.5	0	0	0	112.3	R98 A101 R102 L105 G128 F129	R98-L132 HydrophobicContact CB-CD1 4.18Å; R98-L132 HydrophobicContact CG-CD1 4.37Å; A101-L132 HydrophobicContact CB-CB 4.07Å; R102-L132 HydrophobicContact CB-CD1 4.44Å; L105-L132 HydrophobicContact CD1-CB 4.46Å; L105-L132 HydrophobicContact CD1-CD2 3.75Å; G128-L132 WeakPolarHBondContact O-CB 3.27Å; G128-L132 PolarHBondContact O-N 3.35Å; F129-L132 PolarHBondContact O-N 3.11Å
133	Y	92.9	Very high	92.9	Very high	87 Å²	87	57.2 Å²	57.2	34%	0.341	27%	0.273	S	S	.	.			trans	-132.1	62.9	-175.8	-57.4	-62.4	0	0	0	112.7	F129 N135 R136 Y137 Y186	F129-Y133 AromaticContact CD2-CD2 3.93Å; F129-Y133 HydrophobicContact CD2-CD2 3.93Å; F129-Y133 AromaticContact CE2-CD2 4Å; F129-Y133 HydrophobicContact CE2-CD2 4Å; F129-Y133 HydrophobicContact CE2-CG 4.35Å; F129-Y133 CarbonylContact O-C 3.48Å; F129-Y133 PolarHBondContact O-N 2.96Å; Y133-N135 VanDerWaalsContact C-N 3.32Å; Y133-N135 PolarHBondContact O-N 2.9Å; Y133-R136 PolarHBondContact O-N 3.39Å; Y133-Y137 PolarHBondContact O-N 2.96Å; Y133-Y186 HydrophobicContact CD2-CE1 4.28Å; Y133-Y186 HydrophobicContact CE2-CE1 4.25Å
134	P	92.6	Very high	92.4	Very high	58 Å²	58	55.4 Å²	55.4	38%	0.377	27%	0.265	S	S	.	.	H	α-helix	trans	-57.4	-40.3	-170.8	20.7	-33.8	0	0	0	113.7	E130 R136 Y137 R138	E130-P134 WeakPolarHBondContact O-CA 3.43Å; E130-P134 WeakPolarHBondContact O-CB 3.39Å; E130-P134 WeakPolarHBondContact O-CD 3.41Å; P134-R136 PolarHBondContact O-N 3.43Å; P134-Y137 PolarHBondContact O-N 2.86Å; P134-R138 WeakPolarHBondContact O-CB 3.1Å; P134-R138 PolarHBondContact O-N 2.87Å
135	N	93.3	Very high	91.9	Very high	109 Å²	109	62.1 Å²	62.1	58%	0.583	29%	0.294	S	S	*	.	H	α-helix	trans	-65.3	-39.4	177.7	-71.1	-19.5	0	0	0	112.3	Y133 V139	Y133-N135 VanDerWaalsContact C-N 3.32Å; Y133-N135 PolarHBondContact O-N 2.9Å; N135-V139 VanDerWaalsContact O-CG2 3.29Å; N135-V139 WeakPolarHBondContact O-CG2 3.11Å; N135-V139 PolarHBondContact O-N 3.45Å; N135-V139 VanDerWaalsContact O-N 3.08Å
136	R	92.5	Very high	91.4	Very high	120 Å²	120	64.1 Å²	64.1	45%	0.453	31%	0.314	S	S	.	.	H	α-helix	trans	-70.8	-43.6	179.2	-62.4	-176.9	176.3	164.6	-1.3	110.5	F129 Y133 P134 R138 V139 I140 Y186	F129-R136 HydrophobicContact CE2-CB 4.01Å; F129-R136 HydrophobicContact CZ-CB 3.92Å; Y133-R136 PolarHBondContact O-N 3.39Å; P134-R136 PolarHBondContact O-N 3.43Å; R136-R138 PolarHBondContact O-N 3.23Å; R136-V139 PolarHBondContact O-N 2.8Å; R136-I140 WeakPolarHBondContact O-CG1 3.12Å; R136-I140 PolarHBondContact O-N 3.27Å; R136-Y186 PolarHBondContact NH1-OH 3.3Å
137	Y	93.4	Very high	90.7	Very high	28 Å²	28	61.7 Å²	61.7	11%	0.11	31%	0.305	C	S	.	.	H	α-helix	trans	-54.9	-51.2	173.7	173.6	-93.1	0	0	0	111.2	F129 E130 Y133 P134 V139 I140 K141 L182	F129-Y137 AromaticContact CD1-CD2 3.7Å; F129-Y137 HydrophobicContact CD1-CD2 3.7Å; F129-Y137 HydrophobicContact CD1-CG 4.41Å; F129-Y137 HydrophobicContact CE1-CD2 4.14Å; F129-Y137 HydrophobicContact CG-CD2 4.37Å; E130-Y137 HydrophobicContact CB-CD1 4.04Å; E130-Y137 HydrophobicContact CB-CD2 3.87Å; E130-Y137 HydrophobicContact CB-CE1 4.11Å; E130-Y137 HydrophobicContact CB-CE2 3.94Å; E130-Y137 HydrophobicContact CB-CG 3.91Å; E130-Y137 VanDerWaalsContact CD-CE1 3.47Å; E130-Y137 HydrophobicContact CG-CD1 3.8Å; E130-Y137 HydrophobicContact CG-CE1 3.77Å; E130-Y137 HydrophobicContact CG-CE2 4.5Å; E130-Y137 HydrophobicContact CG-CG 4.17Å; E130-Y137 WeakPolarHBondContact OE2-CE1 3.44Å; E130-Y137 VanDerWaalsContact OE2-CZ 3.23Å; E130-Y137 PolarHBondContact OE2-OH 3.44Å; Y133-Y137 PolarHBondContact O-N 2.96Å; P134-Y137 PolarHBondContact O-N 2.86Å; Y137-V139 PolarHBondContact O-N 3.15Å; Y137-I140 PolarHBondContact O-N 3.08Å; Y137-K141 HydrophobicContact CE1-CD 3.93Å; Y137-K141 VanDerWaalsContact O-CB 3.22Å; Y137-K141 WeakPolarHBondContact O-CB 3.33Å; Y137-K141 PolarHBondContact O-N 3.4Å; Y137-L182 HydrophobicContact CD2-CD1 3.92Å; Y137-L182 HydrophobicContact CE2-CD1 3.5Å
138	R	93.8	Very high	89.8	Confident	157 Å²	157	66.1 Å²	66.1	59%	0.592	32%	0.319	S	S	*	.	H	α-helix	trans	-57.4	-49.1	177.9	-176.1	178	63.3	167	-0.4	112.3	P134 R136 K141 E142	P134-R138 WeakPolarHBondContact O-CB 3.1Å; P134-R138 PolarHBondContact O-N 2.87Å; R136-R138 PolarHBondContact O-N 3.23Å; R138-K141 PolarHBondContact O-N 2.94Å; R138-E142 WeakPolarHBondContact O-CG 3.42Å; R138-E142 PolarHBondContact O-N 3.24Å
139	V	91.2	Very high	89	Confident	86 Å²	86	68.7 Å²	68.7	52%	0.521	35%	0.346	S	S	.	.	H	α-helix	trans	-61.7	-49.3	-179.9	171.3	0	0	0	0	111.2	N135 R136 Y137 K141 E142 V143	N135-V139 VanDerWaalsContact O-CG2 3.29Å; N135-V139 WeakPolarHBondContact O-CG2 3.11Å; N135-V139 PolarHBondContact O-N 3.45Å; N135-V139 VanDerWaalsContact O-N 3.08Å; R136-V139 PolarHBondContact O-N 2.8Å; Y137-V139 PolarHBondContact O-N 3.15Å; V139-K141 VanDerWaalsContact C-N 3.32Å; V139-K141 PolarHBondContact O-N 3Å; V139-E142 PolarHBondContact O-N 3.36Å; V139-V143 HydrophobicContact CG1-CG2 4.28Å; V139-V143 WeakPolarHBondContact O-CG2 3.27Å; V139-V143 PolarHBondContact O-N 2.98Å
140	I	88.9	Confident	88.1	Confident	11 Å²	11	75.7 Å²	75.7	6%	0.056	38%	0.383	C	S	.	.	H	α-helix	trans	-64.5	-39.4	-178.9	-64.7	177	0	0	0	110.7	F129 R136 Y137 E142 V143 V144 L182 I185 Y186 M189	F129-I140 HydrophobicContact CE1-CD1 4.24Å; F129-I140 HydrophobicContact CZ-CD1 3.93Å; R136-I140 WeakPolarHBondContact O-CG1 3.12Å; R136-I140 PolarHBondContact O-N 3.27Å; Y137-I140 PolarHBondContact O-N 3.08Å; I140-E142 PolarHBondContact O-N 3.39Å; I140-V143 PolarHBondContact O-N 3.15Å; I140-V144 HydrophobicContact CG2-CG2 4.09Å; I140-V144 WeakPolarHBondContact O-CB 3.45Å; I140-V144 WeakPolarHBondContact O-CG2 3.42Å; I140-V144 PolarHBondContact O-N 3.24Å; I140-L182 HydrophobicContact CG2-CD2 4.07Å; I140-I185 HydrophobicContact CG2-CG2 4.18Å; I140-Y186 HydrophobicContact CD1-CD2 3.93Å; I140-Y186 HydrophobicContact CD1-CG 4.23Å; I140-M189 HydrophobicContact CD1-SD 4.11Å; I140-M189 HydrophobicContact CG1-SD 4.49Å
141	K	91	Very high	87.3	Confident	98 Å²	98	74.7 Å²	74.7	43%	0.426	38%	0.376	S	S	.	.	H	α-helix	trans	-58.3	-48.1	175.9	-174	173.2	-177	169	0	112	Y137 R138 V139 V144 K145 L182	Y137-K141 HydrophobicContact CE1-CD 3.93Å; Y137-K141 VanDerWaalsContact O-CB 3.22Å; Y137-K141 WeakPolarHBondContact O-CB 3.33Å; Y137-K141 PolarHBondContact O-N 3.4Å; R138-K141 PolarHBondContact O-N 2.94Å; V139-K141 VanDerWaalsContact C-N 3.32Å; V139-K141 PolarHBondContact O-N 3Å; K141-V144 PolarHBondContact O-N 3.29Å; K141-K145 WeakPolarHBondContact O-CB 3.46Å; K141-K145 PolarHBondContact O-N 2.94Å; K141-L182 HydrophobicContact CB-CD1 3.92Å; K141-L182 HydrophobicContact CD-CD1 4.47Å; K141-L182 HydrophobicContact CG-CD1 4.18Å
142	E	89.5	Confident	86.7	Confident	100 Å²	100	79.5 Å²	79.5	47%	0.467	39%	0.393	S	S	.	.	H	α-helix	trans	-65	-41.9	177.8	-69.5	-52.3	133.9	0	0	112.1	R138 V139 I140 K145 A146	R138-E142 WeakPolarHBondContact O-CG 3.42Å; R138-E142 PolarHBondContact O-N 3.24Å; V139-E142 PolarHBondContact O-N 3.36Å; I140-E142 PolarHBondContact O-N 3.39Å; E142-K145 PolarHBondContact O-N 2.96Å; E142-A146 PolarHBondContact O-N 3.43Å
143	V	85	Confident	86.3	Confident	53 Å²	53	86.4 Å²	86.4	32%	0.321	43%	0.425	S	S	.	.	H	α-helix	trans	-67.3	-40.6	179.5	-178.9	0	0	0	0	111.3	V139 I140 A146 A147 F196	V139-V143 HydrophobicContact CG1-CG2 4.28Å; V139-V143 WeakPolarHBondContact O-CG2 3.27Å; V139-V143 PolarHBondContact O-N 2.98Å; I140-V143 PolarHBondContact O-N 3.15Å; V143-A146 PolarHBondContact O-N 2.89Å; V143-A147 WeakPolarHBondContact O-CB 3.34Å; V143-A147 PolarHBondContact O-N 3.4Å; V143-F196 HydrophobicContact CB-CE1 4.44Å; V143-F196 HydrophobicContact CB-CE2 4.43Å; V143-F196 HydrophobicContact CB-CZ 4.35Å; V143-F196 HydrophobicContact CG1-CB 4.43Å; V143-F196 HydrophobicContact CG1-CD1 3.25Å; V143-F196 HydrophobicContact CG1-CD2 3.93Å; V143-F196 HydrophobicContact CG1-CE1 3.3Å; V143-F196 HydrophobicContact CG1-CE2 3.94Å; V143-F196 HydrophobicContact CG1-CG 3.59Å; V143-F196 HydrophobicContact CG1-CZ 3.64Å
144	V	84.8	Confident	85.8	Confident	13 Å²	13	85 Å²	85	8%	0.079	42%	0.422	C	S	.	.	H	α-helix	trans	-63.3	-42.5	173.9	170.6	0	0	0	0	110.9	I140 K141 A147 R148 L182 I185 F196 I202	I140-V144 HydrophobicContact CG2-CG2 4.09Å; I140-V144 WeakPolarHBondContact O-CB 3.45Å; I140-V144 WeakPolarHBondContact O-CG2 3.42Å; I140-V144 PolarHBondContact O-N 3.24Å; K141-V144 PolarHBondContact O-N 3.29Å; V144-A147 PolarHBondContact O-N 3.36Å; V144-R148 WeakPolarHBondContact O-CB 3.4Å; V144-R148 PolarHBondContact O-N 3.01Å; V144-L182 HydrophobicContact CB-CD2 4.25Å; V144-L182 HydrophobicContact CG1-CD2 4.46Å; V144-L182 HydrophobicContact CG2-CD2 3.94Å; V144-I185 HydrophobicContact CG2-CD1 3.81Å; V144-F196 HydrophobicContact CG2-CE2 3.66Å; V144-F196 HydrophobicContact CG2-CZ 3.73Å; V144-I202 HydrophobicContact CG1-CG2 4.29Å
145	K	85.7	Confident	85.5	Confident	141 Å²	141	83.6 Å²	83.6	61%	0.613	41%	0.411	S	S	*	.	H	α-helix	trans	-61.2	-44	176.7	-174.8	-177.4	176.5	-172	0	112.1	K141 E142 R148 G149	K141-K145 WeakPolarHBondContact O-CB 3.46Å; K141-K145 PolarHBondContact O-N 2.94Å; E142-K145 PolarHBondContact O-N 2.96Å; K145-R148 PolarHBondContact O-N 3.4Å; K145-G149 PolarHBondContact O-N 3.45Å
146	A	83.9	Confident	85.2	Confident	59 Å²	59	83.3 Å²	83.3	49%	0.488	41%	0.406	S	S	.	.	H	α-helix	trans	-64.5	-45.2	176	0	0	0	0	0	111.9	E142 V143 R148 G149 N150	E142-A146 PolarHBondContact O-N 3.43Å; V143-A146 PolarHBondContact O-N 2.89Å; A146-R148 VanDerWaalsContact C-N 3.3Å; A146-R148 PolarHBondContact O-N 2.92Å; A146-G149 PolarHBondContact O-N 3.15Å; A146-N150 PolarHBondContact O-N 3.43Å
147	A	79.1	Confident	85.1	Confident	16 Å²	16	83 Å²	83	13%	0.132	41%	0.408	C	S	.	.	H	α-helix	trans	-62.5	-35.7	177.5	0	0	0	0	0	112.8	V143 V144 R151 F196 I202	V143-A147 WeakPolarHBondContact O-CB 3.34Å; V143-A147 PolarHBondContact O-N 3.4Å; V144-A147 PolarHBondContact O-N 3.36Å; A147-R151 WeakPolarHBondContact O-CB 3.48Å; A147-R151 WeakPolarHBondContact O-CG 3.26Å; A147-R151 PolarHBondContact O-N 3.46Å; A147-F196 HydrophobicContact CB-CE1 4.13Å; A147-F196 HydrophobicContact CB-CZ 4.46Å; A147-I202 HydrophobicContact CB-CD1 3.86Å
148	R	76.5	Confident	84.9	Confident	128 Å²	128	81.9 Å²	81.9	48%	0.483	40%	0.404	S	S	.	.	H	α-helix	trans	-61.2	-45.9	173.7	173.5	173.9	-179.1	173.7	-7.7	111.9	V144 K145 A146 N150 R151 K152 E179 Y203	V144-R148 WeakPolarHBondContact O-CB 3.4Å; V144-R148 PolarHBondContact O-N 3.01Å; K145-R148 PolarHBondContact O-N 3.4Å; A146-R148 VanDerWaalsContact C-N 3.3Å; A146-R148 PolarHBondContact O-N 2.92Å; R148-N150 VanDerWaalsContact C-N 3.33Å; R148-N150 PolarHBondContact O-N 3.02Å; R148-R151 PolarHBondContact O-N 3.45Å; R148-K152 PolarHBondContact O-N 2.79Å; R148-E179 WeakPolarHBondContact CD-OE1 3.23Å; R148-E179 IonicContact CZ-OE1 2.63Å; R148-E179 VanDerWaalsContact CZ-OE1 3.24Å; R148-E179 IonicContact NE-OE1 2.89Å; R148-E179 PolarHBondContact NE-OE1 2.69Å; R148-E179 IonicContact NH1-OE1 2.84Å; R148-E179 PolarHBondContact NH1-OE1 2.92Å; R148-E179 IonicContact NH1-OE2 3.66Å; R148-E179 PolarHBondContact NH1-OE2 3.28Å; R148-Y203 WeakPolarHBondContact CB-OH 3.4Å; R148-Y203 VanDerWaalsContact CD-OH 3.27Å; R148-Y203 WeakPolarHBondContact CD-OH 3.23Å; R148-Y203 WeakPolarHBondContact CG-OH 3.32Å
149	G	78.7	Confident	84.9	Confident	54 Å²	54	76.4 Å²	76.4	56%	0.557	39%	0.387	S	S	*	.	H	α-helix	trans	-55.5	-48.2	178.4	0	0	0	0	0	112	K145 A146 R151	K145-G149 PolarHBondContact O-N 3.45Å; A146-G149 PolarHBondContact O-N 3.15Å; G149-R151 VanDerWaalsContact C-N 3.3Å; G149-R151 PolarHBondContact O-N 3.11Å
150	N	76	Confident	84.9	Confident	148 Å²	148	75.7 Å²	75.7	79%	0.791	39%	0.385	S	S	*	.	H	α-helix	trans	-71.3	-19.8	-178	-64.7	-6.3	0	0	0	114.3	A146 R148	A146-N150 PolarHBondContact O-N 3.43Å; R148-N150 VanDerWaalsContact C-N 3.33Å; R148-N150 PolarHBondContact O-N 3.02Å
151	R	77.1	Confident	85.2	Confident	64 Å²	64	78 Å²	78	24%	0.242	40%	0.396	C	S	.	.	H	α-helix	trans	-114.3	1.4	-172.9	-65.8	-177.5	-178.8	-178.1	1.9	114.3	A147 R148 G149 E153 M154 I155 M200	A147-R151 WeakPolarHBondContact O-CB 3.48Å; A147-R151 WeakPolarHBondContact O-CG 3.26Å; A147-R151 PolarHBondContact O-N 3.46Å; R148-R151 PolarHBondContact O-N 3.45Å; G149-R151 VanDerWaalsContact C-N 3.3Å; G149-R151 PolarHBondContact O-N 3.11Å; R151-E153 VanDerWaalsContact C-N 3.32Å; R151-E153 PolarHBondContact O-N 2.9Å; R151-M154 PolarHBondContact O-N 3.32Å; R151-I155 HydrophobicContact CB-CD1 4.09Å; R151-I155 WeakPolarHBondContact O-CD1 3.32Å; R151-I155 VanDerWaalsContact O-CG1 3.29Å; R151-I155 WeakPolarHBondContact O-CG1 3.29Å; R151-I155 PolarHBondContact O-N 3.17Å; R151-M200 PolarHBondContact NH2-SD 2.66Å
152	K	82.2	Confident	85.3	Confident	122 Å²	122	73.4 Å²	73.4	53%	0.53	38%	0.376	S	S	.	.	H	α-helix	trans	-54.8	-47	-176.2	-172.4	-178.5	175.8	-171.8	0	112.3	R148 M154 I155 Q156	R148-K152 PolarHBondContact O-N 2.79Å; K152-M154 PolarHBondContact O-N 3.14Å; K152-I155 PolarHBondContact O-N 3.32Å; K152-Q156 WeakPolarHBondContact O-CG 3.37Å; K152-Q156 PolarHBondContact O-N 3.09Å
153	E	84.2	Confident	85.6	Confident	163 Å²	163	72.4 Å²	72.4	76%	0.762	37%	0.371	S	S	*	.	H	α-helix	trans	-62.7	-42.6	179.3	-65.4	179.2	178.6	0	0	112.2	R151 Q156 K157	R151-E153 VanDerWaalsContact C-N 3.32Å; R151-E153 PolarHBondContact O-N 2.9Å; E153-Q156 PolarHBondContact O-N 3.44Å; E153-K157 WeakPolarHBondContact O-CB 3.41Å; E153-K157 PolarHBondContact O-N 3.49Å
154	M	83.3	Confident	86.1	Confident	57 Å²	57	71.1 Å²	71.1	28%	0.281	37%	0.369	S	S	.	.	H	α-helix	trans	-64.9	-41.7	177.7	-178.6	-175.3	-77.9	0	0	111.9	R151 K152 K157 I158 V258	R151-M154 PolarHBondContact O-N 3.32Å; K152-M154 PolarHBondContact O-N 3.14Å; M154-K157 PolarHBondContact O-N 2.98Å; M154-I158 HydrophobicContact CG-CD1 4.03Å; M154-I158 VanDerWaalsContact O-CG1 3.31Å; M154-I158 WeakPolarHBondContact O-CG1 3.17Å; M154-I158 PolarHBondContact O-N 3.38Å; M154-V258 HydrophobicContact CE-CG2 4.04Å; M154-V258 HydrophobicContact SD-CB 4.28Å; M154-V258 HydrophobicContact SD-CG1 4.31Å; M154-V258 HydrophobicContact SD-CG2 3.7Å
155	I	84.8	Confident	86.6	Confident	29 Å²	29	74.1 Å²	74.1	15%	0.149	38%	0.378	C	S	.	.	H	α-helix	trans	-64.8	-43.7	177.8	-65.3	157.2	0	0	0	110.2	R151 K152 I158 L159 Y203 F205	R151-I155 HydrophobicContact CB-CD1 4.09Å; R151-I155 WeakPolarHBondContact O-CD1 3.32Å; R151-I155 VanDerWaalsContact O-CG1 3.29Å; R151-I155 WeakPolarHBondContact O-CG1 3.29Å; R151-I155 PolarHBondContact O-N 3.17Å; K152-I155 PolarHBondContact O-N 3.32Å; I155-I158 PolarHBondContact O-N 2.8Å; I155-L159 WeakPolarHBondContact O-CB 3.28Å; I155-L159 PolarHBondContact O-N 2.87Å; I155-Y203 HydrophobicContact CD1-CD1 3.86Å; I155-Y203 HydrophobicContact CD1-CD2 3.36Å; I155-Y203 HydrophobicContact CD1-CE1 3.78Å; I155-Y203 HydrophobicContact CD1-CE2 3.29Å; I155-Y203 HydrophobicContact CD1-CG 3.67Å; I155-Y203 HydrophobicContact CG1-CD1 4.42Å; I155-Y203 HydrophobicContact CG1-CD2 4.08Å; I155-Y203 HydrophobicContact CG1-CE2 4.45Å; I155-Y203 HydrophobicContact CG1-CG 4.09Å; I155-Y203 HydrophobicContact CG2-CD1 4.32Å; I155-F205 HydrophobicContact CG2-CE1 4.13Å; I155-F205 HydrophobicContact CG2-CZ 4.16Å
156	Q	88	Confident	87	Confident	103 Å²	103	67.4 Å²	67.4	48%	0.481	35%	0.349	S	S	.	.	H	α-helix	trans	-62.8	-43.3	175.8	-74.2	177.7	-37.8	0	0	111.4	K152 E153 I158 L159 S160	K152-Q156 WeakPolarHBondContact O-CG 3.37Å; K152-Q156 PolarHBondContact O-N 3.09Å; E153-Q156 PolarHBondContact O-N 3.44Å; Q156-I158 PolarHBondContact O-N 3.4Å; Q156-L159 WeakPolarHBondContact O-CB 3.34Å; Q156-L159 PolarHBondContact O-N 3.21Å; Q156-S160 PolarHBondContact O-N 3.31Å; Q156-S160 PolarHBondContact O-OG 2.99Å; Q156-S160 VanDerWaalsContact O-OG 3.13Å
157	K	89.7	Confident	87.6	Confident	112 Å²	112	72.2 Å²	72.2	49%	0.487	36%	0.362	S	S	.	.	H	α-helix	trans	-58.5	-48.1	175.2	-178.3	174.2	176	174.9	0	112.2	E153 M154 L159 S160 E161	E153-K157 WeakPolarHBondContact O-CB 3.41Å; E153-K157 PolarHBondContact O-N 3.49Å; M154-K157 PolarHBondContact O-N 2.98Å; K157-L159 VanDerWaalsContact C-N 3.34Å; K157-L159 PolarHBondContact O-N 3.01Å; K157-S160 PolarHBondContact O-N 2.94Å; K157-E161 WeakPolarHBondContact CE-OE1 3.43Å; K157-E161 WeakPolarHBondContact CG-OE1 3.49Å; K157-E161 WeakPolarHBondContact O-CB 3.47Å; K157-E161 WeakPolarHBondContact O-CG 3.48Å; K157-E161 PolarHBondContact O-N 3.44Å
158	I	90.6	Very high	88.3	Confident	6 Å²	6	78.5 Å²	78.5	3%	0.031	39%	0.388	C	S	.	.	H	α-helix	trans	-63.2	-41.7	177.6	-65.8	161.6	0	0	0	110.8	M154 I155 Q156 E161 I162 F205 Y226 P255 V260	M154-I158 HydrophobicContact CG-CD1 4.03Å; M154-I158 VanDerWaalsContact O-CG1 3.31Å; M154-I158 WeakPolarHBondContact O-CG1 3.17Å; M154-I158 PolarHBondContact O-N 3.38Å; I155-I158 PolarHBondContact O-N 2.8Å; Q156-I158 PolarHBondContact O-N 3.4Å; I158-E161 PolarHBondContact O-N 3.38Å; I158-I162 HydrophobicContact CG2-CD1 3.82Å; I158-I162 HydrophobicContact CG2-CG1 4.41Å; I158-I162 VanDerWaalsContact O-CG1 3.28Å; I158-I162 WeakPolarHBondContact O-CG1 3.3Å; I158-I162 PolarHBondContact O-N 3.38Å; I158-F205 HydrophobicContact CB-CE1 4.39Å; I158-F205 HydrophobicContact CB-CE2 4.25Å; I158-F205 HydrophobicContact CB-CZ 3.76Å; I158-F205 HydrophobicContact CD1-CZ 4.46Å; I158-F205 HydrophobicContact CG2-CD2 4.16Å; I158-F205 HydrophobicContact CG2-CE1 4.08Å; I158-F205 HydrophobicContact CG2-CE2 3.5Å; I158-F205 HydrophobicContact CG2-CZ 3.45Å; I158-F205 VanDerWaalsContact CG2-CZ 3.45Å; I158-Y226 HydrophobicContact CG2-CE2 4.26Å; I158-P255 HydrophobicContact CG1-CG 4.33Å; I158-V260 HydrophobicContact CD1-CG2 3.96Å; I158-V260 HydrophobicContact CG2-CG1 4.01Å; I158-V260 HydrophobicContact CG2-CG2 4.32Å
159	L	92	Very high	89.1	Confident	42 Å²	42	74.4 Å²	74.4	22%	0.22	38%	0.382	C	S	.	.	H	α-helix	trans	-57.7	-49.7	175.6	-169.9	81.8	0	0	0	110.9	I155 Q156 K157 E161 I162 E163 V175 F205	I155-L159 WeakPolarHBondContact O-CB 3.28Å; I155-L159 PolarHBondContact O-N 2.87Å; Q156-L159 WeakPolarHBondContact O-CB 3.34Å; Q156-L159 PolarHBondContact O-N 3.21Å; K157-L159 VanDerWaalsContact C-N 3.34Å; K157-L159 PolarHBondContact O-N 3.01Å; L159-E161 PolarHBondContact O-N 3.43Å; L159-I162 PolarHBondContact O-N 2.84Å; L159-E163 WeakPolarHBondContact O-CG 3.45Å; L159-E163 PolarHBondContact O-N 3.17Å; L159-V175 HydrophobicContact CD1-CB 4.46Å; L159-V175 HydrophobicContact CD1-CG1 3.7Å; L159-F205 HydrophobicContact CB-CE1 4.21Å; L159-F205 HydrophobicContact CD1-CD1 3.94Å; L159-F205 HydrophobicContact CD1-CE1 4.2Å
160	S	93	Very high	89.9	Confident	71 Å²	71	74.8 Å²	74.8	50%	0.497	39%	0.386	S	S	.	.	H	α-helix	trans	-67	-35.3	-179.9	-59.1	0	0	0	0	112.9	Q156 K157 G164	Q156-S160 PolarHBondContact O-N 3.31Å; Q156-S160 PolarHBondContact O-OG 2.99Å; Q156-S160 VanDerWaalsContact O-OG 3.13Å; K157-S160 PolarHBondContact O-N 2.94Å; S160-G164 PolarHBondContact O-N 3.07Å
161	E	93.6	Very high	90.7	Very high	60 Å²	60	68.7 Å²	68.7	28%	0.28	35%	0.353	S	S	.	.	H	α-helix	trans	-65.2	-40.8	173.6	-75.6	177.1	-162.8	0	0	111.4	K157 I158 L159 R165 L225 Y226	K157-E161 WeakPolarHBondContact CE-OE1 3.43Å; K157-E161 WeakPolarHBondContact CG-OE1 3.49Å; K157-E161 WeakPolarHBondContact O-CB 3.47Å; K157-E161 WeakPolarHBondContact O-CG 3.48Å; K157-E161 PolarHBondContact O-N 3.44Å; I158-E161 PolarHBondContact O-N 3.38Å; L159-E161 PolarHBondContact O-N 3.43Å; E161-R165 VanDerWaalsContact O-CB 3.31Å; E161-R165 WeakPolarHBondContact O-CB 3.36Å; E161-R165 PolarHBondContact O-N 2.93Å; E161-L225 HydrophobicContact CB-CD1 4.48Å; E161-L225 HydrophobicContact CB-CD2 4.23Å; E161-Y226 PolarHBondContact OE2-OH 3.26Å
162	I	94.4	Very high	91.5	Very high	0 Å²	0	69.7 Å²	69.7	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-65.2	-49.5	175.2	-69.9	170.2	0	0	0	110.7	I158 L159 R165 L166 V175 F205 V207 M222 L225 V262	I158-I162 HydrophobicContact CG2-CD1 3.82Å; I158-I162 HydrophobicContact CG2-CG1 4.41Å; I158-I162 VanDerWaalsContact O-CG1 3.28Å; I158-I162 WeakPolarHBondContact O-CG1 3.3Å; I158-I162 PolarHBondContact O-N 3.38Å; L159-I162 PolarHBondContact O-N 2.84Å; I162-R165 PolarHBondContact O-N 2.9Å; I162-L166 HydrophobicContact CG2-CD1 3.99Å; I162-L166 VanDerWaalsContact O-CG 3.29Å; I162-L166 WeakPolarHBondContact O-CG 3.49Å; I162-L166 PolarHBondContact O-N 3.31Å; I162-L166 VanDerWaalsContact O-N 3.09Å; I162-V175 HydrophobicContact CG2-CG1 3.77Å; I162-V175 HydrophobicContact CG2-CG2 4.11Å; I162-F205 HydrophobicContact CD1-CB 4.16Å; I162-F205 HydrophobicContact CD1-CD1 4.31Å; I162-F205 HydrophobicContact CD1-CD2 4.29Å; I162-F205 HydrophobicContact CD1-CG 3.99Å; I162-V207 HydrophobicContact CG2-CG2 4.26Å; I162-M222 HydrophobicContact CB-CE 4.44Å; I162-M222 HydrophobicContact CB-SD 4.48Å; I162-M222 HydrophobicContact CD1-SD 4.35Å; I162-M222 HydrophobicContact CG1-CE 4.41Å; I162-M222 HydrophobicContact CG1-SD 3.96Å; I162-M222 HydrophobicContact CG2-CE 3.85Å; I162-M222 HydrophobicContact CG2-SD 3.91Å; I162-L225 HydrophobicContact CG1-CD2 3.93Å; I162-V262 HydrophobicContact CD1-CG2 4.2Å
163	E	95.4	Very high	92.1	Very high	79 Å²	79	66 Å²	66	37%	0.369	36%	0.356	S	S	.	.	H	α-helix	trans	-61	-48.4	179	-74.7	173.7	166.8	0	0	111.7	L159 R165 L166 Q167 V175	L159-E163 WeakPolarHBondContact O-CG 3.45Å; L159-E163 PolarHBondContact O-N 3.17Å; E163-R165 VanDerWaalsContact C-N 3.34Å; E163-R165 PolarHBondContact O-N 2.78Å; E163-L166 PolarHBondContact O-N 3.48Å; E163-Q167 WeakPolarHBondContact O-CB 3.31Å; E163-Q167 PolarHBondContact O-N 2.92Å; E163-V175 HydrophobicContact CG-CB 3.76Å; E163-V175 HydrophobicContact CG-CG1 4.31Å; E163-V175 HydrophobicContact CG-CG2 3.79Å
164	G	95.2	Very high	92.6	Very high	26 Å²	26	65 Å²	65	27%	0.268	35%	0.346	S	S	.	.	H	α-helix	trans	-58.9	-44.3	178.1	0	0	0	0	0	112	S160 L166 Q167 E168	S160-G164 PolarHBondContact O-N 3.07Å; G164-L166 VanDerWaalsContact C-N 3.34Å; G164-L166 PolarHBondContact O-N 3.37Å; G164-Q167 PolarHBondContact O-N 3.32Å; G164-E168 WeakPolarHBondContact O-CG 3.29Å; G164-E168 PolarHBondContact O-N 3.34Å
165	R	94.5	Very high	93.1	Very high	76 Å²	76	63.4 Å²	63.4	29%	0.287	34%	0.339	S	S	.	.	H	α-helix	trans	-62.8	-39.3	177.6	-176.2	56.5	175.4	-179.6	-4.1	112.8	E161 I162 E163 E168 A169 Q221 S224 L225	E161-R165 VanDerWaalsContact O-CB 3.31Å; E161-R165 WeakPolarHBondContact O-CB 3.36Å; E161-R165 PolarHBondContact O-N 2.93Å; I162-R165 PolarHBondContact O-N 2.9Å; E163-R165 VanDerWaalsContact C-N 3.34Å; E163-R165 PolarHBondContact O-N 2.78Å; R165-E168 IonicContact NH1-OE2 2.76Å; R165-E168 PolarHBondContact NH1-OE2 3.04Å; R165-A169 WeakPolarHBondContact O-CB 3.48Å; R165-A169 PolarHBondContact O-N 3.47Å; R165-Q221 HydrophobicContact CG-CB 4.33Å; R165-S224 PolarHBondContact NH2-OG 3.05Å; R165-L225 HydrophobicContact CB-CD2 4.46Å
166	L	95.6	Very high	93.5	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-74.3	-33.5	179.3	-67.3	176.8	0	0	0	112.1	I162 E163 G164 A169 G170 I171 C173 V175 V207 V218 Q221 M222	I162-L166 HydrophobicContact CG2-CD1 3.99Å; I162-L166 VanDerWaalsContact O-CG 3.29Å; I162-L166 WeakPolarHBondContact O-CG 3.49Å; I162-L166 PolarHBondContact O-N 3.31Å; I162-L166 VanDerWaalsContact O-N 3.09Å; E163-L166 PolarHBondContact O-N 3.48Å; G164-L166 VanDerWaalsContact C-N 3.34Å; G164-L166 PolarHBondContact O-N 3.37Å; L166-A169 PolarHBondContact O-N 2.96Å; L166-G170 PolarHBondContact O-N 3.36Å; L166-I171 HydrophobicContact CD2-CD1 4.25Å; L166-I171 PolarHBondContact O-N 3.01Å; L166-C173 WeakPolarHBondContact CD1-SG 3.46Å; L166-V175 HydrophobicContact CD1-CG2 3.98Å; L166-V207 HydrophobicContact CD1-CG1 3.78Å; L166-V207 HydrophobicContact CD1-CG2 4.27Å; L166-V218 HydrophobicContact CD1-CG1 4.4Å; L166-V218 HydrophobicContact CD2-CB 4.35Å; L166-V218 HydrophobicContact CD2-CG1 4.12Å; L166-V218 HydrophobicContact CD2-CG2 3.9Å; L166-Q221 HydrophobicContact CD2-CB 3.97Å; L166-Q221 HydrophobicContact CD2-CG 4.27Å; L166-M222 HydrophobicContact CD1-CE 4.19Å; L166-M222 HydrophobicContact CD2-CE 3.99Å; L166-M222 HydrophobicContact CG-CE 3.99Å
167	Q	95	Very high	93.4	Very high	161 Å²	161	61.4 Å²	61.4	75%	0.752	35%	0.347	S	S	*	.	H	α-helix	trans	-66.6	-45	172.6	-172.6	177.5	2.2	0	0	111.8	E163 G164 A169 G170	E163-Q167 WeakPolarHBondContact O-CB 3.31Å; E163-Q167 PolarHBondContact O-N 2.92Å; G164-Q167 PolarHBondContact O-N 3.32Å; Q167-A169 PolarHBondContact O-N 2.91Å; Q167-G170 PolarHBondContact O-N 2.85Å
168	E	94.5	Very high	93.1	Very high	148 Å²	148	59.3 Å²	59.3	69%	0.692	34%	0.336	S	S	*	.	H	α-helix	trans	-57.5	-36.8	173.4	-76.2	174.2	-174.5	0	0	112.4	G164 R165 G170	G164-E168 WeakPolarHBondContact O-CG 3.29Å; G164-E168 PolarHBondContact O-N 3.34Å; R165-E168 IonicContact NH1-OE2 2.76Å; R165-E168 PolarHBondContact NH1-OE2 3.04Å; E168-G170 PolarHBondContact O-N 3.23Å
169	A	94.2	Very high	92.7	Very high	41 Å²	41	62.8 Å²	62.8	34%	0.339	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-3.9	177.2	0	0	0	0	0	113.7	R165 L166 Q167 I171 Q221	R165-A169 WeakPolarHBondContact O-CB 3.48Å; R165-A169 PolarHBondContact O-N 3.47Å; L166-A169 PolarHBondContact O-N 2.96Å; Q167-A169 PolarHBondContact O-N 2.91Å; A169-I171 VanDerWaalsContact C-N 3.3Å; A169-I171 HydrophobicContact CB-CD1 3.96Å; A169-I171 HydrophobicContact CB-CG1 4.02Å; A169-I171 PolarHBondContact O-N 2.85Å; A169-Q221 HydrophobicContact CB-CG 4.07Å
170	G	94.2	Very high	92.3	Very high	62 Å²	62	62.4 Å²	62.4	64%	0.639	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.3	26.2	-177.9	0	0	0	0	0	114.1	L166 Q167 E168 P172	L166-G170 PolarHBondContact O-N 3.36Å; Q167-G170 PolarHBondContact O-N 2.85Å; E168-G170 PolarHBondContact O-N 3.23Å; G170-P172 WeakPolarHBondContact O-CD 3.35Å
171	I	94.1	Very high	92	Very high	21 Å²	21	60 Å²	60	11%	0.108	33%	0.329	C	S	.	.			trans	-95.5	111.5	-176.5	-61.2	174.6	0	0	0	110	L166 A169 C173 T214 R217 V218 Q221	L166-I171 HydrophobicContact CD2-CD1 4.25Å; L166-I171 PolarHBondContact O-N 3.01Å; A169-I171 VanDerWaalsContact C-N 3.3Å; A169-I171 HydrophobicContact CB-CD1 3.96Å; A169-I171 HydrophobicContact CB-CG1 4.02Å; A169-I171 PolarHBondContact O-N 2.85Å; I171-C173 PolarHBondContact O-N 2.94Å; I171-T214 HydrophobicContact CG2-CG2 3.45Å; I171-T214 VanDerWaalsContact CG2-CG2 3.45Å; I171-R217 HydrophobicContact CD1-CB 4.09Å; I171-V218 HydrophobicContact CD1-CG2 4.25Å; I171-V218 HydrophobicContact CG2-CG2 3.92Å; I171-Q221 HydrophobicContact CD1-CG 4.04Å
172	P	92.6	Very high	91.8	Very high	85 Å²	85	58 Å²	58	55%	0.552	32%	0.32	S	S	*	.			trans	-68.2	120.8	173.8	28.4	-32.9	0	0	0	109.8	G170	G170-P172 WeakPolarHBondContact O-CD 3.35Å
173	C	94.4	Very high	91.6	Very high	43 Å²	43	60.1 Å²	60.1	29%	0.291	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	163.2	-177.7	64.3	0	0	0	0	112.2	L166 I171 V207 I208 V209	L166-C173 WeakPolarHBondContact CD1-SG 3.46Å; I171-C173 PolarHBondContact O-N 2.94Å; C173-V207 HydrophobicContact CB-CG1 3.91Å; C173-I208 CarbonylContact C-O 3.54Å; C173-I208 VanDerWaalsContact CA-O 3.25Å; C173-I208 WeakPolarHBondContact CA-O 3.29Å; C173-I208 WeakPolarHBondContact CB-O 3.27Å; C173-V209 HydrophobicContact CB-CG1 3.82Å
174	R	94.9	Very high	91.2	Very high	143 Å²	143	58 Å²	58	54%	0.54	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	119.3	167.7	-60.5	-171.4	-60.7	145.3	0.2	109.1	V207 I208 E267	R174-V207 WeakPolarHBondContact O-CA 3.43Å; R174-I208 HydrophobicContact CB-CB 4.45Å; R174-I208 PolarHBondContact N-O 2.79Å; R174-I208 PolarHBondContact O-N 2.74Å; R174-E267 IonicContact CZ-OE1 3.91Å; R174-E267 IonicContact NE-OE1 2.79Å; R174-E267 PolarHBondContact NE-OE1 3.4Å; R174-E267 IonicContact NH2-OE1 3.12Å; R174-E267 PolarHBondContact NH2-OE1 3.24Å
175	V	94.4	Very high	90.7	Very high	23 Å²	23	56.9 Å²	56.9	14%	0.139	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	134.4	175.8	-169.5	0	0	0	0	108.9	L159 I162 E163 L166 R206 V207	L159-V175 HydrophobicContact CD1-CB 4.46Å; L159-V175 HydrophobicContact CD1-CG1 3.7Å; I162-V175 HydrophobicContact CG2-CG1 3.77Å; I162-V175 HydrophobicContact CG2-CG2 4.11Å; E163-V175 HydrophobicContact CG-CB 3.76Å; E163-V175 HydrophobicContact CG-CG1 4.31Å; E163-V175 HydrophobicContact CG-CG2 3.79Å; L166-V175 HydrophobicContact CD1-CG2 3.98Å; V175-R206 CarbonylContact C-O 3.51Å; V175-R206 WeakPolarHBondContact CA-O 3.5Å; V175-V207 HydrophobicContact CG1-CG2 4.36Å; V175-V207 HydrophobicContact CG2-CG1 4.43Å; V175-V207 HydrophobicContact CG2-CG2 4.33Å
176	S	92.2	Very high	90.4	Very high	45 Å²	45	54.7 Å²	54.7	32%	0.315	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	141.9	177.6	58.4	0	0	0	0	111.7	F205 R206	S176-F205 CarbonylContact O-C 3.6Å; S176-F205 WeakPolarHBondContact O-CA 3.42Å; S176-R206 PolarHBondContact N-O 3.08Å; S176-R206 PolarHBondContact O-N 2.87Å
177	G	87.6	Confident	89.8	Confident	46 Å²	46	56.4 Å²	56.4	47%	0.474	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	134	168.9	0	0	0	0	0	110.6
178	R	83.3	Confident	89	Confident	68 Å²	68	52 Å²	52	26%	0.257	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	128	177.8	-177.3	-175.2	-179.9	178.5	12.1	110.8	H118 A204	H118-R178 PolarHBondContact CD2-NH2 2.85Å; H118-R178 PolarHBondContact NE2-NH2 3.4Å; R178-A204 PolarHBondContact N-O 3.5Å; R178-A204 PolarHBondContact O-N 2.78Å
179	E	82.5	Confident	88.4	Confident	79 Å²	79	47.1 Å²	47.1	37%	0.369	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	137.8	170.4	-70.5	179.4	177.6	0	0	110.5	R148 Y203	R148-E179 WeakPolarHBondContact CD-OE1 3.23Å; R148-E179 IonicContact CZ-OE1 2.63Å; R148-E179 VanDerWaalsContact CZ-OE1 3.24Å; R148-E179 IonicContact NE-OE1 2.89Å; R148-E179 PolarHBondContact NE-OE1 2.69Å; R148-E179 IonicContact NH1-OE1 2.84Å; R148-E179 PolarHBondContact NH1-OE1 2.92Å; R148-E179 IonicContact NH1-OE2 3.66Å; R148-E179 PolarHBondContact NH1-OE2 3.28Å; E179-Y203 HydrophobicContact CG-CD1 3.98Å; E179-Y203 HydrophobicContact CG-CE1 3.28Å; E179-Y203 WeakPolarHBondContact OE1-CE1 3.38Å; E179-Y203 PolarHBondContact OE1-OH 3.37Å
180	K	83.2	Confident	87.8	Confident	33 Å²	33	49.1 Å²	49.1	14%	0.143	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-72.6	132	168.8	-68.1	-172.5	-172.1	157.5	0	109.4	I185 D201 I202 E261	K180-I185 HydrophobicContact CB-CD1 4.35Å; K180-I185 HydrophobicContact CB-CG1 4.16Å; K180-D201 WeakPolarHBondContact CD-O 3.29Å; K180-D201 WeakPolarHBondContact CE-O 3.42Å; K180-D201 PolarHBondContact NZ-O 3.27Å; K180-I202 PolarHBondContact N-O 3.1Å; K180-E261 WeakPolarHBondContact CE-OE2 3.32Å; K180-E261 IonicContact NZ-OE1 2.81Å; K180-E261 IonicContact NZ-OE2 3.04Å; K180-E261 PolarHBondContact NZ-OE2 3.42Å
181	H	85.7	Confident	86.7	Confident	21 Å²	21	53.2 Å²	53.2	10%	0.097	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-64.1	150	177	62.7	-95.4	0	0	0	111.6	T122 E125 E126 Y183 S184 I185	T122-H181 HydrophobicContact CG2-CB 3.61Å; E125-H181 IonicContact OE2-CD2 3.3Å; E125-H181 IonicContact OE2-CE1 2.86Å; E125-H181 IonicContact OE2-NE2 3.79Å; E125-H181 PolarHBondContact OE2-NE2 3.19Å; E125-H181 VanDerWaalsContact OE2-NE2 3.1Å; E126-H181 HydrophobicContact CG-CB 4.07Å; E126-H181 WeakPolarHBondContact OE1-CA 3.4Å; E126-H181 WeakPolarHBondContact OE1-CB 3.48Å; H181-Y183 VanDerWaalsContact C-N 3.33Å; H181-Y183 PolarHBondContact O-N 3.21Å; H181-S184 PolarHBondContact CD2-N 3.31Å; H181-S184 VanDerWaalsContact CD2-N 3.28Å; H181-S184 PolarHBondContact CE1-OG 2.78Å; H181-S184 WeakPolarHBondContact NE2-CB 3.47Å; H181-S184 PolarHBondContact NE2-N 3.35Å; H181-S184 PolarHBondContact NE2-OG 3.01Å; H181-S184 PolarHBondContact O-N 3.38Å; H181-I185 PolarHBondContact O-N 2.96Å
182	L	90.3	Very high	85.4	Confident	19 Å²	19	57.4 Å²	57.4	10%	0.099	30%	0.302	C	S	.	.	H	α-helix	trans	-63.5	-36	-166.1	-60.6	175.3	0	0	0	113.2	F129 Y137 I140 K141 V144 I185 Y186	F129-L182 HydrophobicContact CD1-CB 4.24Å; F129-L182 HydrophobicContact CE1-CB 4.27Å; Y137-L182 HydrophobicContact CD2-CD1 3.92Å; Y137-L182 HydrophobicContact CE2-CD1 3.5Å; I140-L182 HydrophobicContact CG2-CD2 4.07Å; K141-L182 HydrophobicContact CB-CD1 3.92Å; K141-L182 HydrophobicContact CD-CD1 4.47Å; K141-L182 HydrophobicContact CG-CD1 4.18Å; V144-L182 HydrophobicContact CB-CD2 4.25Å; V144-L182 HydrophobicContact CG1-CD2 4.46Å; V144-L182 HydrophobicContact CG2-CD2 3.94Å; L182-I185 PolarHBondContact O-N 3.33Å; L182-Y186 PolarHBondContact O-N 2.86Å
183	Y	90.5	Very high	83.9	Confident	44 Å²	44	56.8 Å²	56.8	17%	0.173	29%	0.291	C	S	.	.	H	α-helix	trans	-65.2	-39.9	179.3	-175.4	-114.8	0	0	0	112.7	L105 E125 F129 H181 I185 Y186 C187	L105-Y183 HydrophobicContact CD1-CE2 4.16Å; L105-Y183 HydrophobicContact CD2-CE1 4.04Å; L105-Y183 HydrophobicContact CD2-CE2 4.3Å; E125-Y183 HydrophobicContact CB-CD1 3.65Å; E125-Y183 HydrophobicContact CB-CE1 4.41Å; E125-Y183 HydrophobicContact CB-CG 4.13Å; E125-Y183 HydrophobicContact CG-CD1 3.68Å; E125-Y183 HydrophobicContact CG-CE1 4.03Å; F129-Y183 HydrophobicContact CB-CD2 3.6Å; F129-Y183 HydrophobicContact CB-CE2 4.46Å; F129-Y183 HydrophobicContact CB-CG 4.14Å; F129-Y183 HydrophobicContact CD1-CD2 4.33Å; F129-Y183 AromaticContact CD2-CD2 3.88Å; F129-Y183 HydrophobicContact CD2-CD2 3.88Å; F129-Y183 HydrophobicContact CD2-CE2 4.45Å; F129-Y183 AromaticContact CG-CD2 3.7Å; F129-Y183 HydrophobicContact CG-CD2 3.7Å; F129-Y183 HydrophobicContact CG-CG 4.44Å; H181-Y183 VanDerWaalsContact C-N 3.33Å; H181-Y183 PolarHBondContact O-N 3.21Å; Y183-I185 VanDerWaalsContact C-N 3.32Å; Y183-I185 PolarHBondContact O-N 3.49Å; Y183-Y186 HydrophobicContact CD2-CD1 4.06Å; Y183-Y186 HydrophobicContact CE2-CD1 4.1Å; Y183-Y186 HydrophobicContact CE2-CE1 4.44Å; Y183-Y186 WeakPolarHBondContact O-CB 3.42Å; Y183-Y186 PolarHBondContact O-N 3.33Å; Y183-C187 VanDerWaalsContact CZ-SG 3.53Å; Y183-C187 PolarHBondContact O-N 3.43Å; Y183-C187 PolarHBondContact O-SG 3.11Å
184	S	85.7	Confident	82.4	Confident	35 Å²	35	58 Å²	58	25%	0.245	29%	0.292	C	S	.	.	H	α-helix	trans	-62.8	-38.5	173.8	-93	0	0	0	0	112.7	H181 K188	H181-S184 PolarHBondContact CD2-N 3.31Å; H181-S184 VanDerWaalsContact CD2-N 3.28Å; H181-S184 PolarHBondContact CE1-OG 2.78Å; H181-S184 WeakPolarHBondContact NE2-CB 3.47Å; H181-S184 PolarHBondContact NE2-N 3.35Å; H181-S184 PolarHBondContact NE2-OG 3.01Å; H181-S184 PolarHBondContact O-N 3.38Å; S184-K188 WeakPolarHBondContact O-CB 3.48Å; S184-K188 WeakPolarHBondContact O-CG 3.31Å; S184-K188 PolarHBondContact O-N 2.66Å
185	I	84.5	Confident	80.9	Confident	2 Å²	2	56 Å²	56	1%	0.01	29%	0.285	C	S	.	.	H	α-helix	trans	-62.6	-48.5	175.3	-62.4	174.3	0	0	0	108.9	I140 V144 K180 H181 L182 Y183 K188 M189 F196 I199	I140-I185 HydrophobicContact CG2-CG2 4.18Å; V144-I185 HydrophobicContact CG2-CD1 3.81Å; K180-I185 HydrophobicContact CB-CD1 4.35Å; K180-I185 HydrophobicContact CB-CG1 4.16Å; H181-I185 PolarHBondContact O-N 2.96Å; L182-I185 PolarHBondContact O-N 3.33Å; Y183-I185 VanDerWaalsContact C-N 3.32Å; Y183-I185 PolarHBondContact O-N 3.49Å; I185-K188 PolarHBondContact O-N 2.99Å; I185-M189 HydrophobicContact CG2-SD 4.1Å; I185-M189 VanDerWaalsContact O-CG 3.3Å; I185-M189 WeakPolarHBondContact O-CG 3.37Å; I185-M189 PolarHBondContact O-N 2.68Å; I185-F196 HydrophobicContact CG2-CD2 4.36Å; I185-F196 HydrophobicContact CG2-CE2 4.13Å; I185-I199 HydrophobicContact CG2-CD1 3.9Å
186	Y	88.3	Confident	79.4	Confident	30 Å²	30	56 Å²	56	12%	0.118	28%	0.283	C	S	.	.	H	α-helix	trans	-57.9	-49.2	176.5	169.8	-105.5	0	0	0	112.9	F129 Y133 R136 I140 L182 Y183 K188 M189 V190	F129-Y186 HydrophobicContact CD2-CD1 4.22Å; F129-Y186 HydrophobicContact CE1-CG 4.38Å; F129-Y186 AromaticContact CE2-CD1 3.72Å; F129-Y186 HydrophobicContact CE2-CD1 3.72Å; F129-Y186 HydrophobicContact CE2-CD2 4.04Å; F129-Y186 HydrophobicContact CE2-CE1 4.14Å; F129-Y186 HydrophobicContact CE2-CE2 4.44Å; F129-Y186 AromaticContact CE2-CG 3.66Å; F129-Y186 HydrophobicContact CE2-CG 3.66Å; F129-Y186 HydrophobicContact CZ-CD1 4.12Å; F129-Y186 AromaticContact CZ-CD2 3.94Å; F129-Y186 HydrophobicContact CZ-CD2 3.94Å; F129-Y186 AromaticContact CZ-CG 3.6Å; F129-Y186 HydrophobicContact CZ-CG 3.6Å; Y133-Y186 HydrophobicContact CD2-CE1 4.28Å; Y133-Y186 HydrophobicContact CE2-CE1 4.25Å; R136-Y186 PolarHBondContact NH1-OH 3.3Å; I140-Y186 HydrophobicContact CD1-CD2 3.93Å; I140-Y186 HydrophobicContact CD1-CG 4.23Å; L182-Y186 PolarHBondContact O-N 2.86Å; Y183-Y186 HydrophobicContact CD2-CD1 4.06Å; Y183-Y186 HydrophobicContact CE2-CD1 4.1Å; Y183-Y186 HydrophobicContact CE2-CE1 4.44Å; Y183-Y186 WeakPolarHBondContact O-CB 3.42Å; Y183-Y186 PolarHBondContact O-N 3.33Å; Y186-K188 VanDerWaalsContact C-N 3.32Å; Y186-K188 PolarHBondContact O-N 2.97Å; Y186-M189 WeakPolarHBondContact O-CB 3Å; Y186-M189 PolarHBondContact O-N 2.97Å; Y186-M189 VanDerWaalsContact O-N 3.16Å; Y186-V190 HydrophobicContact CD2-CG2 4.11Å; Y186-V190 HydrophobicContact CE1-CG2 4.22Å; Y186-V190 HydrophobicContact CE2-CG2 3.55Å; Y186-V190 WeakPolarHBondContact O-CG2 3.16Å; Y186-V190 PolarHBondContact O-N 3.41Å
187	C	84	Confident	77.7	Confident	35 Å²	35	61.6 Å²	61.6	24%	0.236	30%	0.304	C	S	.	.	H	α-helix	trans	-62.1	-39.3	178.1	-72.7	0	0	0	0	111.9	Y183 V190 L191	Y183-C187 VanDerWaalsContact CZ-SG 3.53Å; Y183-C187 PolarHBondContact O-N 3.43Å; Y183-C187 PolarHBondContact O-SG 3.11Å; C187-V190 PolarHBondContact O-N 3.4Å; C187-L191 VanDerWaalsContact O-CB 3.31Å; C187-L191 WeakPolarHBondContact O-CB 3.22Å; C187-L191 VanDerWaalsContact O-CG 3.27Å; C187-L191 WeakPolarHBondContact O-CG 3.38Å; C187-L191 PolarHBondContact O-N 2.99Å
188	K	77.9	Confident	76.2	Confident	69 Å²	69	62.3 Å²	62.3	30%	0.3	30%	0.302	S	S	.	.	H	α-helix	trans	-63.1	-41.1	174	-76.9	179	-178.8	-176.8	0	112.2	S184 I185 Y186 K192	S184-K188 WeakPolarHBondContact O-CB 3.48Å; S184-K188 WeakPolarHBondContact O-CG 3.31Å; S184-K188 PolarHBondContact O-N 2.66Å; I185-K188 PolarHBondContact O-N 2.99Å; Y186-K188 VanDerWaalsContact C-N 3.32Å; Y186-K188 PolarHBondContact O-N 2.97Å; K188-K192 VanDerWaalsContact O-CB 3.32Å; K188-K192 WeakPolarHBondContact O-CB 3.45Å; K188-K192 PolarHBondContact O-N 3.42Å
189	M	81.4	Confident	74.9	Confident	46 Å²	46	59.6 Å²	59.6	23%	0.227	29%	0.292	C	S	.	.	H	α-helix	trans	-59.9	-46	175.6	-71.8	172.3	74.5	0	0	111.4	I140 I185 Y186 E193 Q194 F196 I199	I140-M189 HydrophobicContact CD1-SD 4.11Å; I140-M189 HydrophobicContact CG1-SD 4.49Å; I185-M189 HydrophobicContact CG2-SD 4.1Å; I185-M189 VanDerWaalsContact O-CG 3.3Å; I185-M189 WeakPolarHBondContact O-CG 3.37Å; I185-M189 PolarHBondContact O-N 2.68Å; Y186-M189 WeakPolarHBondContact O-CB 3Å; Y186-M189 PolarHBondContact O-N 2.97Å; Y186-M189 VanDerWaalsContact O-N 3.16Å; M189-E193 WeakPolarHBondContact O-CA 3.19Å; M189-E193 PolarHBondContact O-N 2.93Å; M189-E193 VanDerWaalsContact O-N 3.09Å; M189-Q194 PolarHBondContact O-N 2.85Å; M189-F196 HydrophobicContact CE-CB 4.11Å; M189-F196 HydrophobicContact SD-CD2 4.21Å; M189-I199 HydrophobicContact CG-CD1 3.3Å; M189-I199 HydrophobicContact SD-CD1 4.01Å
190	V	81.4	Confident	73.8	Confident	82 Å²	82	58.7 Å²	58.7	50%	0.497	29%	0.289	S	S	.	.	H	α-helix	trans	-68.8	-47.9	-179.1	176.3	0	0	0	0	111.4	Y186 C187 K192	Y186-V190 HydrophobicContact CD2-CG2 4.11Å; Y186-V190 HydrophobicContact CE1-CG2 4.22Å; Y186-V190 HydrophobicContact CE2-CG2 3.55Å; Y186-V190 WeakPolarHBondContact O-CG2 3.16Å; Y186-V190 PolarHBondContact O-N 3.41Å; C187-V190 PolarHBondContact O-N 3.4Å; V190-K192 PolarHBondContact O-N 3.15Å
191	L	71.6	Confident	73	Confident	148 Å²	148	58.8 Å²	58.8	78%	0.775	29%	0.291	S	S	*	.	H	α-helix	trans	-70.2	-32.3	-175.3	-72.2	171.1	0	0	0	113.5	C187	C187-L191 VanDerWaalsContact O-CB 3.31Å; C187-L191 WeakPolarHBondContact O-CB 3.22Å; C187-L191 VanDerWaalsContact O-CG 3.27Å; C187-L191 WeakPolarHBondContact O-CG 3.38Å; C187-L191 PolarHBondContact O-N 2.99Å
192	K	66.5	Low	72.4	Confident	110 Å²	110	57.9 Å²	57.9	48%	0.478	29%	0.287	S	S	.	.	H	α-helix	trans	-101.3	-0.2	-177.4	-62	-174.2	176.7	-178.3	0	113.9	K188 V190 Q194	K188-K192 VanDerWaalsContact O-CB 3.32Å; K188-K192 WeakPolarHBondContact O-CB 3.45Å; K188-K192 PolarHBondContact O-N 3.42Å; V190-K192 PolarHBondContact O-N 3.15Å; K192-Q194 HydrophobicContact CB-CB 4.11Å; K192-Q194 HydrophobicContact CB-CG 3.78Å; K192-Q194 PolarHBondContact O-N 2.79Å; K192-Q194 VanDerWaalsContact O-N 3.08Å
193	E	62.2	Low	71.8	Confident	72 Å²	72	58.3 Å²	58.3	34%	0.336	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	32	-172.7	-66.7	165.2	-165.2	0	0	112	M189 R517	M189-E193 WeakPolarHBondContact O-CA 3.19Å; M189-E193 PolarHBondContact O-N 2.93Å; M189-E193 VanDerWaalsContact O-N 3.09Å; E193-R517 VanDerWaalsContact CD-NH2 3.31Å; E193-R517 IonicContact OE1-CZ 3.4Å; E193-R517 IonicContact OE1-NH2 3.09Å; E193-R517 PolarHBondContact OE1-NH2 2.9Å; E193-R517 VanDerWaalsContact OE1-NH2 3.15Å; E193-R517 IonicContact OE2-CZ 2.8Å; E193-R517 IonicContact OE2-NH1 3.72Å; E193-R517 PolarHBondContact OE2-NH1 2.77Å; E193-R517 IonicContact OE2-NH2 3.76Å; E193-R517 PolarHBondContact OE2-NH2 3.39Å
194	Q	62.8	Low	71.7	Confident	67 Å²	67	56.4 Å²	56.4	31%	0.313	28%	0.28	S	S	.	.			trans	-93	128.8	-174	-86.8	-177.4	-18.5	0	0	110.3	M189 K192 S198	M189-Q194 PolarHBondContact O-N 2.85Å; K192-Q194 HydrophobicContact CB-CB 4.11Å; K192-Q194 HydrophobicContact CB-CG 3.78Å; K192-Q194 PolarHBondContact O-N 2.79Å; K192-Q194 VanDerWaalsContact O-N 3.08Å; Q194-S198 WeakPolarHBondContact CB-OG 3.27Å
195	R	62.7	Low	72.1	Confident	101 Å²	101	55 Å²	55	38%	0.381	27%	0.27	S	S	.	.			trans	-71.7	150.3	169.7	-65.4	-142	-141.9	138.4	1.5	110.3	H197 S198 E602	R195-H197 PolarHBondContact O-N 2.77Å; R195-H197 VanDerWaalsContact O-N 3.09Å; R195-S198 WeakPolarHBondContact O-CB 3.09Å; R195-S198 PolarHBondContact O-N 2.81Å; R195-S198 PolarHBondContact O-OG 3.03Å; R195-E602 WeakPolarHBondContact CB-OE2 3.33Å; R195-E602 WeakPolarHBondContact CD-OE1 3.43Å; R195-E602 WeakPolarHBondContact CD-OE2 3.29Å; R195-E602 WeakPolarHBondContact CG-OE1 3.37Å; R195-E602 WeakPolarHBondContact CG-OE2 3.49Å; R195-E602 IonicContact CZ-OE1 3.62Å; R195-E602 IonicContact CZ-OE2 2.92Å; R195-E602 IonicContact NE-OE1 3.74Å; R195-E602 PolarHBondContact NE-OE1 3.42Å; R195-E602 IonicContact NE-OE2 2.86Å; R195-E602 PolarHBondContact NE-OE2 2.64Å; R195-E602 VanDerWaalsContact NH1-CB 3.27Å; R195-E602 IonicContact NH1-OE1 3.45Å; R195-E602 IonicContact NH1-OE2 3.67Å; R195-E602 PolarHBondContact NH1-OE2 3.04Å; R195-E602 VanDerWaalsContact NH2-CD 3.34Å; R195-E602 IonicContact NH2-OE1 3.94Å; R195-E602 PolarHBondContact NH2-OE1 3.13Å; R195-E602 VanDerWaalsContact NH2-OE1 3.14Å; R195-E602 IonicContact NH2-OE2 3.57Å
196	F	62.1	Low	72.6	Confident	24 Å²	24	56 Å²	56	11%	0.105	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-52.5	-37.7	-171.7	-174.6	-84.9	0	0	0	113.5	V143 V144 A147 I185 M189 S198 I199 I202	V143-F196 HydrophobicContact CB-CE1 4.44Å; V143-F196 HydrophobicContact CB-CE2 4.43Å; V143-F196 HydrophobicContact CB-CZ 4.35Å; V143-F196 HydrophobicContact CG1-CB 4.43Å; V143-F196 HydrophobicContact CG1-CD1 3.25Å; V143-F196 HydrophobicContact CG1-CD2 3.93Å; V143-F196 HydrophobicContact CG1-CE1 3.3Å; V143-F196 HydrophobicContact CG1-CE2 3.94Å; V143-F196 HydrophobicContact CG1-CG 3.59Å; V143-F196 HydrophobicContact CG1-CZ 3.64Å; V144-F196 HydrophobicContact CG2-CE2 3.66Å; V144-F196 HydrophobicContact CG2-CZ 3.73Å; A147-F196 HydrophobicContact CB-CE1 4.13Å; A147-F196 HydrophobicContact CB-CZ 4.46Å; I185-F196 HydrophobicContact CG2-CD2 4.36Å; I185-F196 HydrophobicContact CG2-CE2 4.13Å; M189-F196 HydrophobicContact CE-CB 4.11Å; M189-F196 HydrophobicContact SD-CD2 4.21Å; F196-S198 PolarHBondContact O-N 3.05Å; F196-S198 VanDerWaalsContact O-N 3.12Å; F196-I199 WeakPolarHBondContact O-CA 3.35Å; F196-I199 WeakPolarHBondContact O-CB 3.01Å; F196-I199 PolarHBondContact O-N 3.09Å; F196-I202 HydrophobicContact CE1-CD1 3.97Å; F196-I202 HydrophobicContact CZ-CD1 3.66Å; F196-I202 HydrophobicContact CZ-CG1 4.48Å
197	H	58.4	Low	73	Confident	162 Å²	162	54.6 Å²	54.6	75%	0.75	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-58.2	-26.3	179	-65.9	95.7	0	0	0	113.9	R195 I199	R195-H197 PolarHBondContact O-N 2.77Å; R195-H197 VanDerWaalsContact O-N 3.09Å; H197-I199 VanDerWaalsContact C-N 3.31Å
198	S	54.9	Low	73.6	Confident	61 Å²	61	53.2 Å²	53.2	43%	0.427	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-80.4	-11.3	175.2	68.8	0	0	0	0	113.6	Q194 R195 F196 M200	Q194-S198 WeakPolarHBondContact CB-OG 3.27Å; R195-S198 WeakPolarHBondContact O-CB 3.09Å; R195-S198 PolarHBondContact O-N 2.81Å; R195-S198 PolarHBondContact O-OG 3.03Å; F196-S198 PolarHBondContact O-N 3.05Å; F196-S198 VanDerWaalsContact O-N 3.12Å; S198-M200 PolarHBondContact O-N 3.12Å
199	I	56.9	Low	74.5	Confident	11 Å²	11	50 Å²	50	6%	0.056	24%	0.244	C	C	.	.			trans	-84	76.2	177.7	-50.9	178.7	0	0	0	107.6	I185 M189 F196 H197 D201 I202	I185-I199 HydrophobicContact CG2-CD1 3.9Å; M189-I199 HydrophobicContact CG-CD1 3.3Å; M189-I199 HydrophobicContact SD-CD1 4.01Å; F196-I199 WeakPolarHBondContact O-CA 3.35Å; F196-I199 WeakPolarHBondContact O-CB 3.01Å; F196-I199 PolarHBondContact O-N 3.09Å; H197-I199 VanDerWaalsContact C-N 3.31Å; I199-D201 PolarHBondContact O-N 2.95Å; I199-I202 HydrophobicContact CG2-CG1 4.38Å; I199-I202 WeakPolarHBondContact O-CG1 3.05Å
200	M	58.1	Low	75.1	Confident	61 Å²	61	53.2 Å²	53.2	30%	0.3	26%	0.263	S	S	.	.			trans	-68.9	-26.4	172.2	-64.7	-62.2	-76.1	0	0	111.4	R151 S198 I202 V258 P259	R151-M200 PolarHBondContact NH2-SD 2.66Å; S198-M200 PolarHBondContact O-N 3.12Å; M200-I202 PolarHBondContact O-N 3.08Å; M200-V258 HydrophobicContact CE-CB 4.3Å; M200-V258 HydrophobicContact CE-CG1 4.1Å; M200-V258 HydrophobicContact CE-CG2 3.7Å; M200-P259 HydrophobicContact CB-CG 3.37Å; M200-P259 HydrophobicContact CG-CG 4.36Å
201	D	66.2	Low	75.7	Confident	35 Å²	35	52.2 Å²	52.2	19%	0.187	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	44.6	-174.4	-40.4	-32.9	0	0	0	113.1	K180 I199 Y203 P259	K180-D201 WeakPolarHBondContact CD-O 3.29Å; K180-D201 WeakPolarHBondContact CE-O 3.42Å; K180-D201 PolarHBondContact NZ-O 3.27Å; I199-D201 PolarHBondContact O-N 2.95Å; D201-Y203 VanDerWaalsContact C-N 3.3Å; D201-P259 WeakPolarHBondContact OD1-CB 3.3Å; D201-P259 WeakPolarHBondContact OD1-CG 3.27Å
202	I	73.6	Confident	76.8	Confident	1 Å²	1	48.1 Å²	48.1	1%	0.005	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-35.1	175.7	-60.8	170.8	0	0	0	110.5	V144 A147 K180 F196 I199 M200	V144-I202 HydrophobicContact CG1-CG2 4.29Å; A147-I202 HydrophobicContact CB-CD1 3.86Å; K180-I202 PolarHBondContact N-O 3.1Å; F196-I202 HydrophobicContact CE1-CD1 3.97Å; F196-I202 HydrophobicContact CZ-CD1 3.66Å; F196-I202 HydrophobicContact CZ-CG1 4.48Å; I199-I202 HydrophobicContact CG2-CG1 4.38Å; I199-I202 WeakPolarHBondContact O-CG1 3.05Å; M200-I202 PolarHBondContact O-N 3.08Å
203	Y	79	Confident	78.2	Confident	28 Å²	28	46.7 Å²	46.7	11%	0.11	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	142.1	-178.1	-71.3	-88.8	0	0	0	110.6	R148 I155 E179 D201	R148-Y203 WeakPolarHBondContact CB-OH 3.4Å; R148-Y203 VanDerWaalsContact CD-OH 3.27Å; R148-Y203 WeakPolarHBondContact CD-OH 3.23Å; R148-Y203 WeakPolarHBondContact CG-OH 3.32Å; I155-Y203 HydrophobicContact CD1-CD1 3.86Å; I155-Y203 HydrophobicContact CD1-CD2 3.36Å; I155-Y203 HydrophobicContact CD1-CE1 3.78Å; I155-Y203 HydrophobicContact CD1-CE2 3.29Å; I155-Y203 HydrophobicContact CD1-CG 3.67Å; I155-Y203 HydrophobicContact CG1-CD1 4.42Å; I155-Y203 HydrophobicContact CG1-CD2 4.08Å; I155-Y203 HydrophobicContact CG1-CE2 4.45Å; I155-Y203 HydrophobicContact CG1-CG 4.09Å; I155-Y203 HydrophobicContact CG2-CD1 4.32Å; E179-Y203 HydrophobicContact CG-CD1 3.98Å; E179-Y203 HydrophobicContact CG-CE1 3.28Å; E179-Y203 WeakPolarHBondContact OE1-CE1 3.38Å; E179-Y203 PolarHBondContact OE1-OH 3.37Å; D201-Y203 VanDerWaalsContact C-N 3.3Å
204	A	87.8	Confident	79.8	Confident	4 Å²	4	44.2 Å²	44.2	3%	0.033	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	153.4	164.9	0	0	0	0	0	108	R178 E261	R178-A204 PolarHBondContact N-O 3.5Å; R178-A204 PolarHBondContact O-N 2.78Å; A204-E261 CarbonylContact C-O 3.52Å; A204-E261 WeakPolarHBondContact CA-O 3.27Å; A204-E261 HydrophobicContact CB-CB 4.13Å
205	F	93	Very high	81.5	Confident	5 Å²	5	41 Å²	41	2%	0.022	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	145.6	176.5	-58.5	-89.5	0	0	0	109.1	I155 I158 L159 I162 S176 V260 E261 V262 Q263	I155-F205 HydrophobicContact CG2-CE1 4.13Å; I155-F205 HydrophobicContact CG2-CZ 4.16Å; I158-F205 HydrophobicContact CB-CE1 4.39Å; I158-F205 HydrophobicContact CB-CE2 4.25Å; I158-F205 HydrophobicContact CB-CZ 3.76Å; I158-F205 HydrophobicContact CD1-CZ 4.46Å; I158-F205 HydrophobicContact CG2-CD2 4.16Å; I158-F205 HydrophobicContact CG2-CE1 4.08Å; I158-F205 HydrophobicContact CG2-CE2 3.5Å; I158-F205 HydrophobicContact CG2-CZ 3.45Å; I158-F205 VanDerWaalsContact CG2-CZ 3.45Å; L159-F205 HydrophobicContact CB-CE1 4.21Å; L159-F205 HydrophobicContact CD1-CD1 3.94Å; L159-F205 HydrophobicContact CD1-CE1 4.2Å; I162-F205 HydrophobicContact CD1-CB 4.16Å; I162-F205 HydrophobicContact CD1-CD1 4.31Å; I162-F205 HydrophobicContact CD1-CD2 4.29Å; I162-F205 HydrophobicContact CD1-CG 3.99Å; S176-F205 CarbonylContact O-C 3.6Å; S176-F205 WeakPolarHBondContact O-CA 3.42Å; F205-V260 HydrophobicContact CD2-CG1 3.81Å; F205-V260 HydrophobicContact CE2-CG1 3.93Å; F205-E261 PolarHBondContact N-O 2.91Å; F205-V262 HydrophobicContact CB-CG2 4.3Å; F205-V262 CarbonylContact O-C 3.49Å; F205-V262 WeakPolarHBondContact O-CA 3.4Å; F205-Q263 PolarHBondContact O-N 2.83Å
206	R	95.2	Very high	83.1	Confident	24 Å²	24	40.4 Å²	40.4	9%	0.091	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	126.4	176.7	-175.4	-169.4	-65	-178.8	0.3	108.2	V175 S176 I208 Q263 R265 D270 E274	V175-R206 CarbonylContact C-O 3.51Å; V175-R206 WeakPolarHBondContact CA-O 3.5Å; S176-R206 PolarHBondContact N-O 3.08Å; S176-R206 PolarHBondContact O-N 2.87Å; R206-I208 HydrophobicContact CG-CG1 4Å; R206-Q263 CarbonylContact C-O 3.56Å; R206-Q263 VanDerWaalsContact CA-O 3.29Å; R206-Q263 WeakPolarHBondContact CA-O 3.19Å; R206-R265 VanDerWaalsContact NH2-NH2 3.15Å; R206-D270 VanDerWaalsContact CD-OD1 3.26Å; R206-D270 WeakPolarHBondContact CD-OD1 3.38Å; R206-D270 IonicContact CZ-OD1 3.93Å; R206-D270 IonicContact NE-OD1 3.15Å; R206-D270 IonicContact NH1-OD1 3.36Å; R206-D270 PolarHBondContact NH1-OD1 3.13Å; R206-D270 IonicContact NH1-OD2 3.64Å; R206-E274 IonicContact CZ-OE1 2.79Å; R206-E274 IonicContact NH1-OE1 3.25Å; R206-E274 PolarHBondContact NH1-OE1 2.85Å; R206-E274 VanDerWaalsContact NH1-OE1 3.09Å; R206-E274 IonicContact NH2-OE1 2.78Å; R206-E274 PolarHBondContact NH2-OE1 2.9Å
207	V	97	Very high	84.8	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	122.4	172.9	-174	0	0	0	0	107.3	I162 L166 C173 R174 V175 V209 V218 V262 Q263 I264 R265	I162-V207 HydrophobicContact CG2-CG2 4.26Å; L166-V207 HydrophobicContact CD1-CG1 3.78Å; L166-V207 HydrophobicContact CD1-CG2 4.27Å; C173-V207 HydrophobicContact CB-CG1 3.91Å; R174-V207 WeakPolarHBondContact O-CA 3.43Å; V175-V207 HydrophobicContact CG1-CG2 4.36Å; V175-V207 HydrophobicContact CG2-CG1 4.43Å; V175-V207 HydrophobicContact CG2-CG2 4.33Å; V207-V209 HydrophobicContact CG1-CG1 4.11Å; V207-V218 HydrophobicContact CB-CG1 4.15Å; V207-V218 HydrophobicContact CG1-CG1 3.82Å; V207-V218 HydrophobicContact CG1-CG2 4.34Å; V207-V218 HydrophobicContact CG2-CG1 4.33Å; V207-V262 HydrophobicContact CG2-CG1 3.83Å; V207-Q263 PolarHBondContact N-O 3.36Å; V207-I264 HydrophobicContact CB-CG1 4.42Å; V207-I264 HydrophobicContact CB-CG2 4.49Å; V207-I264 WeakPolarHBondContact O-CA 3.22Å; V207-R265 PolarHBondContact O-N 2.75Å; V207-R265 VanDerWaalsContact O-N 3.11Å
208	I	96.7	Very high	86.6	Confident	7 Å²	7	38.7 Å²	38.7	4%	0.036	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	131.6	179.3	-32.8	176.2	0	0	0	109.1	C173 R174 R206 R265 E267 D270	C173-I208 CarbonylContact C-O 3.54Å; C173-I208 VanDerWaalsContact CA-O 3.25Å; C173-I208 WeakPolarHBondContact CA-O 3.29Å; C173-I208 WeakPolarHBondContact CB-O 3.27Å; R174-I208 HydrophobicContact CB-CB 4.45Å; R174-I208 PolarHBondContact N-O 2.79Å; R174-I208 PolarHBondContact O-N 2.74Å; R206-I208 HydrophobicContact CG-CG1 4Å; I208-R265 VanDerWaalsContact CA-O 3.28Å; I208-R265 WeakPolarHBondContact CA-O 3.42Å; I208-R265 HydrophobicContact CG2-CG 4.48Å; I208-R265 WeakPolarHBondContact CG2-O 3.34Å; I208-E267 WeakPolarHBondContact CB-OE1 3.47Å; I208-E267 HydrophobicContact CG2-CG 4.37Å; I208-E267 WeakPolarHBondContact CG2-OE1 3.43Å; I208-E267 WeakPolarHBondContact CG2-OE2 3.22Å; I208-D270 HydrophobicContact CD1-CB 4.3Å; I208-D270 HydrophobicContact CG2-CB 3.9Å
209	V	97.1	Very high	88.6	Confident	0 Å²	0	37 Å²	37	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	168.8	-171.5	-60.2	0	0	0	0	111.7	C173 V207 D211 T214 C215 V218 R265 T266 E267	C173-V209 HydrophobicContact CB-CG1 3.82Å; V207-V209 HydrophobicContact CG1-CG1 4.11Å; V209-D211 WeakPolarHBondContact CG2-O 3.08Å; V209-T214 HydrophobicContact CB-CG2 3.77Å; V209-T214 HydrophobicContact CG1-CG2 3.86Å; V209-T214 HydrophobicContact CG2-CG2 4.17Å; V209-C215 HydrophobicContact CG2-CB 4.36Å; V209-C215 WeakPolarHBondContact CG2-SG 3.46Å; V209-V218 HydrophobicContact CG1-CG2 3.85Å; V209-R265 PolarHBondContact N-O 2.73Å; V209-T266 CarbonylContact O-C 3.47Å; V209-T266 WeakPolarHBondContact O-CA 3.32Å; V209-T266 WeakPolarHBondContact O-CB 3.33Å; V209-E267 PolarHBondContact N-OE2 3.39Å; V209-E267 PolarHBondContact O-N 2.96Å
210	N	93.8	Very high	90.5	Very high	114 Å²	114	38.4 Å²	38.4	61%	0.61	20%	0.199	S	C	*	.	S	Bend	trans	-74.5	-36.9	-174.2	-61.5	-26.5	0	0	0	113.7
211	D	94.6	Very high	92.4	Very high	62 Å²	62	37.8 Å²	37.8	33%	0.332	20%	0.195	S	C	.	.	S	Bend	trans	-142.1	166.6	-169.3	70.2	87.2	0	0	0	113.1	V209 D213 T214 C215	V209-D211 WeakPolarHBondContact CG2-O 3.08Å; D211-D213 WeakPolarHBondContact OD1-CA 3.38Å; D211-D213 VanDerWaalsContact OD1-CB 3.28Å; D211-D213 WeakPolarHBondContact OD1-CB 3.41Å; D211-D213 PolarHBondContact OD1-N 2.61Å; D211-T214 VanDerWaalsContact CG-OG1 3.31Å; D211-T214 PolarHBondContact O-N 3.4Å; D211-T214 PolarHBondContact OD1-N 2.84Å; D211-T214 PolarHBondContact OD1-OG1 3.42Å; D211-T214 WeakPolarHBondContact OD2-CB 3.38Å; D211-T214 PolarHBondContact OD2-OG1 3.38Å; D211-C215 PolarHBondContact O-N 2.96Å; D211-C215 PolarHBondContact O-SG 3.26Å; D211-C215 VanDerWaalsContact O-SG 3.34Å
212	S	94.4	Very high	93.8	Very high	61 Å²	61	36.1 Å²	36.1	43%	0.427	19%	0.186	S	C	.	.	H	α-helix	trans	-70.3	-33.7	-176.3	56.1	0	0	0	0	113.4	T214 C215 Y216	S212-T214 VanDerWaalsContact C-N 3.33Å; S212-C215 VanDerWaalsContact O-CB 3.27Å; S212-C215 WeakPolarHBondContact O-CB 3.16Å; S212-C215 PolarHBondContact O-N 2.6Å; S212-C215 VanDerWaalsContact O-N 3.16Å; S212-Y216 VanDerWaalsContact O-CD2 3.22Å; S212-Y216 WeakPolarHBondContact O-CD2 3.46Å
213	D	95.7	Very high	94.9	Very high	80 Å²	80	38.8 Å²	38.8	43%	0.428	20%	0.198	S	C	.	.	H	α-helix	trans	-62.6	-45.2	175.8	-178.1	65.8	0	0	0	109.9	D211 C215 Y216 R217	D211-D213 WeakPolarHBondContact OD1-CA 3.38Å; D211-D213 VanDerWaalsContact OD1-CB 3.28Å; D211-D213 WeakPolarHBondContact OD1-CB 3.41Å; D211-D213 PolarHBondContact OD1-N 2.61Å; D213-C215 PolarHBondContact O-N 3.06Å; D213-Y216 PolarHBondContact O-N 2.88Å; D213-Y216 VanDerWaalsContact O-N 3.07Å; D213-R217 PolarHBondContact O-N 2.93Å; D213-R217 VanDerWaalsContact O-N 3.11Å; D213-R217 IonicContact OD2-CZ 3.72Å; D213-R217 IonicContact OD2-NE 3.19Å; D213-R217 PolarHBondContact OD2-NE 2.94Å; D213-R217 IonicContact OD2-NH2 2.76Å; D213-R217 PolarHBondContact OD2-NH2 3.23Å
214	T	97	Very high	95.5	Very high	20 Å²	20	40.9 Å²	40.9	12%	0.123	22%	0.217	C	C	.	.	H	α-helix	trans	-60.1	-32.3	175.8	-60.7	0	0	0	0	112.1	I171 V209 D211 S212 Y216 R217 V218	I171-T214 HydrophobicContact CG2-CG2 3.45Å; I171-T214 VanDerWaalsContact CG2-CG2 3.45Å; V209-T214 HydrophobicContact CB-CG2 3.77Å; V209-T214 HydrophobicContact CG1-CG2 3.86Å; V209-T214 HydrophobicContact CG2-CG2 4.17Å; D211-T214 VanDerWaalsContact CG-OG1 3.31Å; D211-T214 PolarHBondContact O-N 3.4Å; D211-T214 PolarHBondContact OD1-N 2.84Å; D211-T214 PolarHBondContact OD1-OG1 3.42Å; D211-T214 WeakPolarHBondContact OD2-CB 3.38Å; D211-T214 PolarHBondContact OD2-OG1 3.38Å; S212-T214 VanDerWaalsContact C-N 3.33Å; T214-Y216 VanDerWaalsContact C-N 3.33Å; T214-Y216 PolarHBondContact O-N 3Å; T214-R217 PolarHBondContact O-N 3.44Å; T214-V218 HydrophobicContact CG2-CG2 4.39Å; T214-V218 WeakPolarHBondContact O-CG2 3.34Å; T214-V218 PolarHBondContact O-N 3.47Å
215	C	97.4	Very high	95.8	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-58.8	-43.8	174.7	-65.7	0	0	0	0	112	V209 D211 S212 D213 V218 L219 I237 L248 I264	V209-C215 HydrophobicContact CG2-CB 4.36Å; V209-C215 WeakPolarHBondContact CG2-SG 3.46Å; D211-C215 PolarHBondContact O-N 2.96Å; D211-C215 PolarHBondContact O-SG 3.26Å; D211-C215 VanDerWaalsContact O-SG 3.34Å; S212-C215 VanDerWaalsContact O-CB 3.27Å; S212-C215 WeakPolarHBondContact O-CB 3.16Å; S212-C215 PolarHBondContact O-N 2.6Å; S212-C215 VanDerWaalsContact O-N 3.16Å; D213-C215 PolarHBondContact O-N 3.06Å; C215-V218 PolarHBondContact O-N 3.23Å; C215-L219 PolarHBondContact O-N 3.36Å; C215-I237 HydrophobicContact CB-CD1 3.68Å; C215-L248 HydrophobicContact CB-CD1 3.92Å; C215-L248 WeakPolarHBondContact O-CD1 3.4Å; C215-I264 HydrophobicContact CB-CG2 3.95Å
216	Y	97.3	Very high	95.9	Very high	89 Å²	89	43.8 Å²	43.8	35%	0.349	23%	0.231	S	C	.	.	H	α-helix	trans	-72.2	-33.8	178.7	-70	-79.9	0	0	0	112.2	S212 D213 T214 L219 G220 D235 L248	S212-Y216 VanDerWaalsContact O-CD2 3.22Å; S212-Y216 WeakPolarHBondContact O-CD2 3.46Å; D213-Y216 PolarHBondContact O-N 2.88Å; D213-Y216 VanDerWaalsContact O-N 3.07Å; T214-Y216 VanDerWaalsContact C-N 3.33Å; T214-Y216 PolarHBondContact O-N 3Å; Y216-L219 WeakPolarHBondContact O-CB 3.04Å; Y216-L219 PolarHBondContact O-N 3.49Å; Y216-G220 PolarHBondContact O-N 2.69Å; Y216-G220 VanDerWaalsContact O-N 3.07Å; Y216-D235 VanDerWaalsContact CE1-OD2 3.24Å; Y216-D235 WeakPolarHBondContact CE1-OD2 3.4Å; Y216-D235 VanDerWaalsContact OH-CG 3.27Å; Y216-D235 PolarHBondContact OH-OD1 2.89Å; Y216-D235 PolarHBondContact OH-OD2 2.72Å; Y216-L248 HydrophobicContact CD1-CD1 3.91Å; Y216-L248 HydrophobicContact CD1-CD2 4.48Å; Y216-L248 HydrophobicContact CE1-CD1 4.08Å; Y216-L248 HydrophobicContact CE1-CD2 3.85Å; Y216-L248 HydrophobicContact CG-CD1 4.21Å
217	R	96.6	Very high	95.8	Very high	150 Å²	150	50.8 Å²	50.8	57%	0.566	26%	0.262	S	S	*	.	H	α-helix	trans	-61.3	-46.7	171.2	-63.7	-178.5	-171.4	-149.8	3.3	111.4	I171 D213 T214 L219 G220 Q221	I171-R217 HydrophobicContact CD1-CB 4.09Å; D213-R217 PolarHBondContact O-N 2.93Å; D213-R217 VanDerWaalsContact O-N 3.11Å; D213-R217 IonicContact OD2-CZ 3.72Å; D213-R217 IonicContact OD2-NE 3.19Å; D213-R217 PolarHBondContact OD2-NE 2.94Å; D213-R217 IonicContact OD2-NH2 2.76Å; D213-R217 PolarHBondContact OD2-NH2 3.23Å; T214-R217 PolarHBondContact O-N 3.44Å; R217-L219 VanDerWaalsContact C-N 3.3Å; R217-L219 PolarHBondContact O-N 2.81Å; R217-G220 PolarHBondContact O-N 3.35Å; R217-Q221 WeakPolarHBondContact O-CG 3.17Å; R217-Q221 PolarHBondContact O-N 2.88Å
218	V	97.5	Very high	95.6	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-59.5	-41.3	174.9	170.8	0	0	0	0	110.8	L166 I171 V207 V209 T214 C215 G220 Q221 M222 I264	L166-V218 HydrophobicContact CD1-CG1 4.4Å; L166-V218 HydrophobicContact CD2-CB 4.35Å; L166-V218 HydrophobicContact CD2-CG1 4.12Å; L166-V218 HydrophobicContact CD2-CG2 3.9Å; I171-V218 HydrophobicContact CD1-CG2 4.25Å; I171-V218 HydrophobicContact CG2-CG2 3.92Å; V207-V218 HydrophobicContact CB-CG1 4.15Å; V207-V218 HydrophobicContact CG1-CG1 3.82Å; V207-V218 HydrophobicContact CG1-CG2 4.34Å; V207-V218 HydrophobicContact CG2-CG1 4.33Å; V209-V218 HydrophobicContact CG1-CG2 3.85Å; T214-V218 HydrophobicContact CG2-CG2 4.39Å; T214-V218 WeakPolarHBondContact O-CG2 3.34Å; T214-V218 PolarHBondContact O-N 3.47Å; C215-V218 PolarHBondContact O-N 3.23Å; V218-G220 VanDerWaalsContact C-N 3.31Å; V218-G220 PolarHBondContact O-N 2.82Å; V218-Q221 PolarHBondContact O-N 3.29Å; V218-Q221 VanDerWaalsContact O-N 3.12Å; V218-M222 HydrophobicContact CG1-CG 4.17Å; V218-M222 VanDerWaalsContact O-CG 3.29Å; V218-M222 WeakPolarHBondContact O-CG 3.32Å; V218-M222 PolarHBondContact O-N 3.14Å; V218-I264 HydrophobicContact CB-CD1 4.25Å; V218-I264 HydrophobicContact CB-CG2 3.88Å; V218-I264 HydrophobicContact CG1-CB 4.41Å; V218-I264 HydrophobicContact CG1-CD1 3.66Å; V218-I264 HydrophobicContact CG1-CG1 3.76Å; V218-I264 HydrophobicContact CG1-CG2 3.75Å
219	L	97.1	Very high	95.3	Very high	24 Å²	24	57.4 Å²	57.4	13%	0.126	29%	0.294	C	S	.	.	H	α-helix	trans	-57.6	-45.5	176.5	-178.6	67.9	0	0	0	111.4	C215 Y216 R217 Q221 M222 H223 V233 L248 T250 I264	C215-L219 PolarHBondContact O-N 3.36Å; Y216-L219 WeakPolarHBondContact O-CB 3.04Å; Y216-L219 PolarHBondContact O-N 3.49Å; R217-L219 VanDerWaalsContact C-N 3.3Å; R217-L219 PolarHBondContact O-N 2.81Å; L219-Q221 PolarHBondContact O-N 3.23Å; L219-M222 PolarHBondContact O-N 3.15Å; L219-H223 WeakPolarHBondContact CD1-NE2 3.18Å; L219-H223 PolarHBondContact O-N 2.88Å; L219-V233 HydrophobicContact CD2-CG1 4.45Å; L219-L248 HydrophobicContact CB-CD1 4.06Å; L219-L248 HydrophobicContact CD2-CD1 4.19Å; L219-T250 HydrophobicContact CD1-CG2 3.92Å; L219-I264 HydrophobicContact CB-CD1 3.87Å; L219-I264 HydrophobicContact CD1-CD1 4.08Å
220	G	96.3	Very high	94.9	Very high	42 Å²	42	63.6 Å²	63.6	43%	0.433	33%	0.334	S	S	.	.	H	α-helix	trans	-59.9	-43	174.2	0	0	0	0	0	112.8	Y216 R217 V218 M222 H223 S224	Y216-G220 PolarHBondContact O-N 2.69Å; Y216-G220 VanDerWaalsContact O-N 3.07Å; R217-G220 PolarHBondContact O-N 3.35Å; V218-G220 VanDerWaalsContact C-N 3.31Å; V218-G220 PolarHBondContact O-N 2.82Å; G220-M222 PolarHBondContact O-N 2.98Å; G220-H223 PolarHBondContact O-N 3.19Å; G220-S224 WeakPolarHBondContact O-CB 3.4Å; G220-S224 PolarHBondContact O-N 2.89Å
221	Q	96.9	Very high	94.5	Very high	47 Å²	47	61.9 Å²	61.9	22%	0.22	34%	0.343	C	S	.	.	H	α-helix	trans	-63.9	-40.2	176.2	-65.4	-53	-30.4	0	0	112.6	R165 L166 A169 I171 R217 V218 L219 S224 L225	R165-Q221 HydrophobicContact CG-CB 4.33Å; L166-Q221 HydrophobicContact CD2-CB 3.97Å; L166-Q221 HydrophobicContact CD2-CG 4.27Å; A169-Q221 HydrophobicContact CB-CG 4.07Å; I171-Q221 HydrophobicContact CD1-CG 4.04Å; R217-Q221 WeakPolarHBondContact O-CG 3.17Å; R217-Q221 PolarHBondContact O-N 2.88Å; V218-Q221 PolarHBondContact O-N 3.29Å; V218-Q221 VanDerWaalsContact O-N 3.12Å; L219-Q221 PolarHBondContact O-N 3.23Å; Q221-S224 WeakPolarHBondContact O-CB 3.39Å; Q221-S224 PolarHBondContact O-N 3.28Å; Q221-L225 PolarHBondContact O-N 2.83Å
222	M	96.4	Very high	94.3	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-63.4	-44.2	176.5	-69.1	-56.2	96	0	0	111.5	I162 L166 V218 L219 G220 S224 L225 Y226 M252 V262 I264	I162-M222 HydrophobicContact CB-CE 4.44Å; I162-M222 HydrophobicContact CB-SD 4.48Å; I162-M222 HydrophobicContact CD1-SD 4.35Å; I162-M222 HydrophobicContact CG1-CE 4.41Å; I162-M222 HydrophobicContact CG1-SD 3.96Å; I162-M222 HydrophobicContact CG2-CE 3.85Å; I162-M222 HydrophobicContact CG2-SD 3.91Å; L166-M222 HydrophobicContact CD1-CE 4.19Å; L166-M222 HydrophobicContact CD2-CE 3.99Å; L166-M222 HydrophobicContact CG-CE 3.99Å; V218-M222 HydrophobicContact CG1-CG 4.17Å; V218-M222 VanDerWaalsContact O-CG 3.29Å; V218-M222 WeakPolarHBondContact O-CG 3.32Å; V218-M222 PolarHBondContact O-N 3.14Å; L219-M222 PolarHBondContact O-N 3.15Å; G220-M222 PolarHBondContact O-N 2.98Å; M222-S224 VanDerWaalsContact C-N 3.27Å; M222-S224 PolarHBondContact O-N 3.17Å; M222-L225 PolarHBondContact O-N 3.27Å; M222-L225 VanDerWaalsContact O-N 3.13Å; M222-Y226 PolarHBondContact O-N 3.4Å; M222-M252 VanDerWaalsContact C-SD 3.52Å; M222-M252 HydrophobicContact CB-CE 3.89Å; M222-M252 HydrophobicContact CB-SD 3.82Å; M222-V262 HydrophobicContact CG-CG1 4.24Å; M222-V262 HydrophobicContact SD-CG1 4.25Å; M222-V262 HydrophobicContact SD-CG2 4.29Å; M222-I264 HydrophobicContact CG-CD1 4.37Å
223	H	95.8	Very high	94.2	Very high	57 Å²	57	65 Å²	65	26%	0.264	35%	0.348	S	S	.	.	H	α-helix	trans	-69.8	-23.6	177.1	-68.5	-177.4	0	0	0	113.3	L219 G220 Y226 P228 T250	L219-H223 WeakPolarHBondContact CD1-NE2 3.18Å; L219-H223 PolarHBondContact O-N 2.88Å; G220-H223 PolarHBondContact O-N 3.19Å; H223-Y226 CarbonylContact C-O 3.51Å; H223-Y226 WeakPolarHBondContact CA-O 3.35Å; H223-Y226 VanDerWaalsContact O-O 3.06Å; H223-P228 HydrophobicContact CB-CG 4.48Å; H223-T250 PolarHBondContact NE2-OG1 3.01Å
224	S	93.3	Very high	94.1	Very high	73 Å²	73	65.9 Å²	65.9	51%	0.51	35%	0.348	S	S	.	.	H	α-helix	trans	-73.9	-32.5	169.7	-176.6	0	0	0	0	112.3	R165 G220 Q221 M222	R165-S224 PolarHBondContact NH2-OG 3.05Å; G220-S224 WeakPolarHBondContact O-CB 3.4Å; G220-S224 PolarHBondContact O-N 2.89Å; Q221-S224 WeakPolarHBondContact O-CB 3.39Å; Q221-S224 PolarHBondContact O-N 3.28Å; M222-S224 VanDerWaalsContact C-N 3.27Å; M222-S224 PolarHBondContact O-N 3.17Å
225	L	93.2	Very high	94	Very high	49 Å²	49	67.3 Å²	67.3	26%	0.257	36%	0.355	S	S	.	.	H	α-helix	trans	-77.6	-44.8	179	-174.9	64.5	0	0	0	111.5	E161 I162 R165 Q221 M222	E161-L225 HydrophobicContact CB-CD1 4.48Å; E161-L225 HydrophobicContact CB-CD2 4.23Å; I162-L225 HydrophobicContact CG1-CD2 3.93Å; R165-L225 HydrophobicContact CB-CD2 4.46Å; Q221-L225 PolarHBondContact O-N 2.83Å; M222-L225 PolarHBondContact O-N 3.27Å; M222-L225 VanDerWaalsContact O-N 3.13Å
226	Y	94.2	Very high	93.8	Very high	20 Å²	20	68.8 Å²	68.8	8%	0.078	36%	0.361	C	S	.	.	S	Bend	trans	-135.6	146.6	-179.3	-58.6	-53.7	0	0	0	112.2	I158 E161 M222 H223 M252 P255 V260	I158-Y226 HydrophobicContact CG2-CE2 4.26Å; E161-Y226 PolarHBondContact OE2-OH 3.26Å; M222-Y226 PolarHBondContact O-N 3.4Å; H223-Y226 CarbonylContact C-O 3.51Å; H223-Y226 WeakPolarHBondContact CA-O 3.35Å; H223-Y226 VanDerWaalsContact O-O 3.06Å; Y226-M252 HydrophobicContact CD2-CE 4.04Å; Y226-P255 HydrophobicContact CE1-CG 4.12Å; Y226-V260 HydrophobicContact CE2-CG1 4.48Å
227	K	93.1	Very high	93.6	Very high	171 Å²	171	65.5 Å²	65.5	74%	0.743	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69	125.3	-179.7	-64.7	-177.2	179.9	-179.9	0	110.7	M252 I253	K227-M252 CarbonylContact O-C 3.54Å; K227-M252 VanDerWaalsContact O-CA 3.29Å; K227-M252 WeakPolarHBondContact O-CA 3.45Å; K227-M252 WeakPolarHBondContact O-CB 3.3Å; K227-I253 PolarHBondContact O-N 3.34Å
228	P	93.9	Very high	93.3	Very high	54 Å²	54	61.4 Å²	61.4	35%	0.351	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	145.6	177.8	28.4	-33.9	0	0	0	111.5	H223 V233	H223-P228 HydrophobicContact CB-CG 4.48Å; P228-V233 HydrophobicContact CB-CG2 4.5Å
229	R	90.2	Very high	92.7	Very high	93 Å²	93	64 Å²	64	35%	0.351	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	125.6	172.4	-63.3	-178.3	71.9	-173.9	7.1	109.2	G231 R232 S251 I253	R229-G231 PolarHBondContact O-N 3.04Å; R229-R232 HydrophobicContact CB-CB 4.01Å; R229-R232 HydrophobicContact CB-CG 3.8Å; R229-R232 WeakPolarHBondContact O-CB 3.31Å; R229-R232 PolarHBondContact O-N 3.31Å; R229-R232 VanDerWaalsContact O-N 3.1Å; R229-S251 WeakPolarHBondContact CB-O 3.43Å; R229-S251 PolarHBondContact N-O 3.05Å; R229-I253 HydrophobicContact CG-CD1 4.38Å; R229-I253 HydrophobicContact CG-CG1 3.83Å
230	P	88.3	Confident	92.2	Very high	130 Å²	130	63.7 Å²	63.7	84%	0.844	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-54	137.3	178.7	-27.7	35.2	0	0	0	112.6	R232	P230-R232 PolarHBondContact O-N 2.76Å
231	G	86.5	Confident	91.7	Very high	78 Å²	78	64.4 Å²	64.4	80%	0.804	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	69.3	10	-178.9	0	0	0	0	0	115.2	R229	R229-G231 PolarHBondContact O-N 3.04Å
232	R	89.1	Confident	90.8	Very high	122 Å²	122	62.6 Å²	62.6	46%	0.46	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	12.3	178.4	-57.9	-64.9	-174.3	150.5	-4.6	114.3	R229 P230 S251	R229-R232 HydrophobicContact CB-CB 4.01Å; R229-R232 HydrophobicContact CB-CG 3.8Å; R229-R232 WeakPolarHBondContact O-CB 3.31Å; R229-R232 PolarHBondContact O-N 3.31Å; R229-R232 VanDerWaalsContact O-N 3.1Å; P230-R232 PolarHBondContact O-N 2.76Å; R232-S251 PolarHBondContact O-N 2.79Å
233	V	93.1	Very high	90	Very high	66 Å²	66	63.7 Å²	63.7	40%	0.4	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	129.2	167.4	-175.9	0	0	0	0	107.6	L219 P228 H249	L219-V233 HydrophobicContact CD2-CG1 4.45Å; P228-V233 HydrophobicContact CB-CG2 4.5Å; V233-H249 CarbonylContact C-O 3.47Å; V233-H249 VanDerWaalsContact CA-O 3.3Å; V233-H249 WeakPolarHBondContact CA-O 3.36Å
234	K	92.8	Very high	89.4	Confident	99 Å²	99	61 Å²	61	43%	0.43	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	125.4	177.5	-49.8	-173.1	-179.2	-174.9	0	109.4	Y236 H249	K234-Y236 HydrophobicContact CB-CD2 4.34Å; K234-Y236 HydrophobicContact CB-CE2 3.87Å; K234-Y236 HydrophobicContact CD-CE2 3.95Å; K234-Y236 WeakPolarHBondContact CD-OH 3.35Å; K234-H249 HydrophobicContact CB-CB 4.21Å; K234-H249 PolarHBondContact N-O 2.66Å; K234-H249 PolarHBondContact O-N 3.06Å
235	D	94.5	Very high	89.2	Confident	50 Å²	50	58.9 Å²	58.9	27%	0.267	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	88.8	179.1	-171.3	-16.3	0	0	0	110.3	Y216 I237 A238 I239 L248	Y216-D235 VanDerWaalsContact CE1-OD2 3.24Å; Y216-D235 WeakPolarHBondContact CE1-OD2 3.4Å; Y216-D235 VanDerWaalsContact OH-CG 3.27Å; Y216-D235 PolarHBondContact OH-OD1 2.89Å; Y216-D235 PolarHBondContact OH-OD2 2.72Å; D235-I237 VanDerWaalsContact C-N 3.26Å; D235-I237 WeakPolarHBondContact OD1-CA 3.47Å; D235-I237 WeakPolarHBondContact OD1-CB 3.4Å; D235-I237 PolarHBondContact OD1-N 3.43Å; D235-A238 HydrophobicContact CB-CB 4.49Å; D235-A238 PolarHBondContact OD1-N 3.13Å; D235-I239 PolarHBondContact O-N 3.31Å; D235-L248 HydrophobicContact CB-CD2 3.9Å; D235-L248 WeakPolarHBondContact OD1-CD2 3.43Å
236	Y	93.1	Very high	89.2	Confident	30 Å²	30	58.3 Å²	58.3	12%	0.118	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-0.4	173	-55.3	-64.2	0	0	0	112.8	K234 I239 P240 K241 Y245 Q246 S247 H249	K234-Y236 HydrophobicContact CB-CD2 4.34Å; K234-Y236 HydrophobicContact CB-CE2 3.87Å; K234-Y236 HydrophobicContact CD-CE2 3.95Å; K234-Y236 WeakPolarHBondContact CD-OH 3.35Å; Y236-I239 WeakPolarHBondContact CA-O 3.07Å; Y236-I239 CarbonylContact O-C 3.59Å; Y236-P240 VanDerWaalsContact O-CA 3.25Å; Y236-P240 WeakPolarHBondContact O-CA 3.25Å; Y236-K241 HydrophobicContact CD1-CG 3.79Å; Y236-K241 HydrophobicContact CE1-CD 4.36Å; Y236-K241 VanDerWaalsContact CE1-CE 3.49Å; Y236-K241 HydrophobicContact CE1-CG 3.92Å; Y236-K241 HydrophobicContact CG-CG 4.31Å; Y236-Y245 HydrophobicContact CD2-CD1 4.21Å; Y236-Y245 AromaticContact CD2-CE1 3.86Å; Y236-Y245 HydrophobicContact CD2-CE1 3.86Å; Y236-Y245 HydrophobicContact CG-CD1 4.32Å; Y236-Y245 HydrophobicContact CG-CE1 4.39Å; Y236-Q246 WeakPolarHBondContact O-CA 3.22Å; Y236-S247 WeakPolarHBondContact CA-O 3.41Å; Y236-S247 WeakPolarHBondContact CB-O 3.42Å; Y236-S247 PolarHBondContact N-O 2.84Å; Y236-H249 AromaticContact CD2-CD2 3.99Å; Y236-H249 AromaticContact CE2-CE1 3.95Å; Y236-H249 AromaticContact CE2-CG 3.97Å; Y236-H249 AromaticContact CE2-ND1 3.75Å
237	I	92.8	Very high	89.3	Confident	20 Å²	20	57.4 Å²	57.4	10%	0.103	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-51.3	170.7	-62.9	-174.7	0	0	0	108.2	C215 D235 Q246 L248 M269	C215-I237 HydrophobicContact CB-CD1 3.68Å; D235-I237 VanDerWaalsContact C-N 3.26Å; D235-I237 WeakPolarHBondContact OD1-CA 3.47Å; D235-I237 WeakPolarHBondContact OD1-CB 3.4Å; D235-I237 PolarHBondContact OD1-N 3.43Å; I237-Q246 PolarHBondContact O-NE2 3.32Å; I237-L248 HydrophobicContact CB-CD2 4.37Å; I237-L248 HydrophobicContact CD1-CD1 4.24Å; I237-L248 HydrophobicContact CD1-CD2 4.13Å; I237-L248 HydrophobicContact CD1-CG 3.7Å; I237-L248 HydrophobicContact CG1-CD2 4.14Å; I237-L248 HydrophobicContact CG1-CG 4.12Å; I237-M269 HydrophobicContact CD1-CE 4.09Å; I237-M269 HydrophobicContact CD1-SD 3.88Å; I237-M269 HydrophobicContact CG1-CE 4.12Å; I237-M269 HydrophobicContact CG1-SD 3.88Å; I237-M269 HydrophobicContact CG2-CE 3.81Å
238	A	90.5	Very high	89.5	Confident	65 Å²	65	49.4 Å²	49.4	54%	0.537	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-36.5	176.9	0	0	0	0	0	112.7	D235	D235-A238 HydrophobicContact CB-CB 4.49Å; D235-A238 PolarHBondContact OD1-N 3.13Å
239	I	86.4	Confident	89.6	Confident	55 Å²	55	48.6 Å²	48.6	28%	0.282	27%	0.268	S	S	.	.	S	Bend	trans	-125.7	80.6	179.7	-49.4	173.5	0	0	0	109.3	D235 Y236 Y331 I339	D235-I239 PolarHBondContact O-N 3.31Å; Y236-I239 WeakPolarHBondContact CA-O 3.07Å; Y236-I239 CarbonylContact O-C 3.59Å; I239-Y331 HydrophobicContact CG2-CD1 3.77Å; I239-Y331 HydrophobicContact CG2-CE1 3.8Å; I239-Y331 HydrophobicContact CG2-CG 4.43Å; I239-I339 HydrophobicContact CD1-CD1 3.7Å; I239-I339 HydrophobicContact CG1-CD1 3.76Å; I239-I339 HydrophobicContact CG2-CD1 4.36Å
240	P	86.4	Confident	89.8	Confident	16 Å²	16	44.3 Å²	44.3	10%	0.104	25%	0.252	C	S	.	.			trans	-61.8	148.1	-179.6	-15.3	26.3	0	0	0	111.4	Y236 Y245 Q246 R296	Y236-P240 VanDerWaalsContact O-CA 3.25Å; Y236-P240 WeakPolarHBondContact O-CA 3.25Å; P240-Y245 WeakPolarHBondContact CA-O 3.48Å; P240-Q246 HydrophobicContact CB-CG 3.65Å; P240-Q246 HydrophobicContact CG-CG 3.8Å; P240-R296 PolarHBondContact O-NH1 3.04Å; P240-R296 PolarHBondContact O-NH2 2.78Å
241	K	85.2	Confident	90	Very high	58 Å²	58	38.5 Å²	38.5	25%	0.252	21%	0.214	S	C	.	.			trans	-70.4	162	175.8	-59.4	-174.5	177.6	179.2	0	111.4	Y236 N243 G244 Y245 R296	Y236-K241 HydrophobicContact CD1-CG 3.79Å; Y236-K241 HydrophobicContact CE1-CD 4.36Å; Y236-K241 VanDerWaalsContact CE1-CE 3.49Å; Y236-K241 HydrophobicContact CE1-CG 3.92Å; Y236-K241 HydrophobicContact CG-CG 4.31Å; K241-N243 PolarHBondContact O-N 3.1Å; K241-G244 WeakPolarHBondContact O-CA 3.28Å; K241-G244 PolarHBondContact O-N 3.46Å; K241-Y245 HydrophobicContact CD-CD1 3.83Å; K241-Y245 HydrophobicContact CD-CG 4.27Å; K241-Y245 HydrophobicContact CG-CD1 4.13Å; K241-Y245 PolarHBondContact N-O 3.12Å; K241-Y245 VanDerWaalsContact N-O 3.08Å; K241-R296 PolarHBondContact O-NH1 3.31Å
242	A	77.3	Confident	90.3	Very high	9 Å²	9	34.8 Å²	34.8	7%	0.074	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-27.7	-180	0	0	0	0	0	115.5	R114 G244 R296 E329	R114-A242 VanDerWaalsContact NH1-CB 3.31Å; A242-G244 VanDerWaalsContact C-N 3.32Å; A242-R296 WeakPolarHBondContact O-CB 3.36Å; A242-R296 WeakPolarHBondContact O-CD 3.43Å; A242-E329 WeakPolarHBondContact CB-OE1 2.99Å; A242-E329 WeakPolarHBondContact CB-OE2 3.48Å
243	N	81.3	Confident	90.4	Very high	22 Å²	22	33 Å²	33	12%	0.118	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	8.2	176	67.5	-9.5	0	0	0	114.8	H113 R114 K241 Y245	H113-N243 VanDerWaalsContact O-CB 3.22Å; H113-N243 WeakPolarHBondContact O-CB 3.15Å; H113-N243 PolarHBondContact O-ND2 3.07Å; R114-N243 VanDerWaalsContact O-CB 3.32Å; R114-N243 WeakPolarHBondContact O-CB 3.45Å; K241-N243 PolarHBondContact O-N 3.1Å; N243-Y245 WeakPolarHBondContact OD1-CB 3.47Å; N243-Y245 PolarHBondContact OD1-N 3.4Å
244	G	82.8	Confident	90.1	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.161	C	C	.	.			trans	84.1	4.2	-177.3	0	0	0	0	0	114.7	K241 A242 Q246	K241-G244 WeakPolarHBondContact O-CA 3.28Å; K241-G244 PolarHBondContact O-N 3.46Å; A242-G244 VanDerWaalsContact C-N 3.32Å; G244-Q246 PolarHBondContact O-N 3.12Å
245	Y	89.5	Confident	89.7	Confident	29 Å²	29	26.8 Å²	26.8	11%	0.114	15%	0.148	C	C	.	.			trans	-62.9	126.3	179.8	178.2	-94	0	0	0	112.4	Y236 P240 K241 N243 S247 H249 A273	Y236-Y245 HydrophobicContact CD2-CD1 4.21Å; Y236-Y245 AromaticContact CD2-CE1 3.86Å; Y236-Y245 HydrophobicContact CD2-CE1 3.86Å; Y236-Y245 HydrophobicContact CG-CD1 4.32Å; Y236-Y245 HydrophobicContact CG-CE1 4.39Å; P240-Y245 WeakPolarHBondContact CA-O 3.48Å; K241-Y245 HydrophobicContact CD-CD1 3.83Å; K241-Y245 HydrophobicContact CD-CG 4.27Å; K241-Y245 HydrophobicContact CG-CD1 4.13Å; K241-Y245 PolarHBondContact N-O 3.12Å; K241-Y245 VanDerWaalsContact N-O 3.08Å; N243-Y245 WeakPolarHBondContact OD1-CB 3.47Å; N243-Y245 PolarHBondContact OD1-N 3.4Å; Y245-S247 WeakPolarHBondContact OH-CB 3.25Å; Y245-H249 AromaticContact CE1-CE1 3.89Å; Y245-H249 AromaticContact CE1-NE2 3.44Å; Y245-H249 WeakPolarHBondContact CE1-NE2 3.24Å; Y245-H249 AromaticContact CZ-NE2 3.48Å; Y245-H249 PolarHBondContact OH-CE1 2.6Å; Y245-H249 PolarHBondContact OH-NE2 3.33Å; Y245-A273 HydrophobicContact CD2-CB 3.65Å; Y245-A273 HydrophobicContact CE2-CB 3.7Å
246	Q	92.6	Very high	89.1	Confident	38 Å²	38	32.4 Å²	32.4	18%	0.178	17%	0.172	C	C	.	.			trans	-125.5	130.9	176.9	-66.6	179	-78.2	0	0	111.2	Y236 I237 P240 G244 M269	Y236-Q246 WeakPolarHBondContact O-CA 3.22Å; I237-Q246 PolarHBondContact O-NE2 3.32Å; P240-Q246 HydrophobicContact CB-CG 3.65Å; P240-Q246 HydrophobicContact CG-CG 3.8Å; G244-Q246 PolarHBondContact O-N 3.12Å; Q246-M269 HydrophobicContact CB-CB 4.32Å; Q246-M269 HydrophobicContact CB-CG 3.8Å; Q246-M269 HydrophobicContact CB-SD 3.89Å
247	S	95.7	Very high	88.5	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.192	C	C	.	.			trans	-179.4	148.8	174.2	-177.2	0	0	0	0	110.5	Y236 Y245 I264	Y236-S247 WeakPolarHBondContact CA-O 3.41Å; Y236-S247 WeakPolarHBondContact CB-O 3.42Å; Y236-S247 PolarHBondContact N-O 2.84Å; Y245-S247 WeakPolarHBondContact OH-CB 3.25Å; S247-I264 CarbonylContact C-O 3.22Å; S247-I264 VanDerWaalsContact CA-O 3.29Å; S247-I264 WeakPolarHBondContact CA-O 3.41Å; S247-I264 PolarHBondContact OG-N 3.02Å; S247-I264 PolarHBondContact OG-O 3.22Å
248	L	97.1	Very high	87.9	Confident	3 Å²	3	33.3 Å²	33.3	2%	0.016	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	127.3	163.3	-56.6	174.4	0	0	0	109.4	C215 Y216 L219 D235 I237 Q263 I264	C215-L248 HydrophobicContact CB-CD1 3.92Å; C215-L248 WeakPolarHBondContact O-CD1 3.4Å; Y216-L248 HydrophobicContact CD1-CD1 3.91Å; Y216-L248 HydrophobicContact CD1-CD2 4.48Å; Y216-L248 HydrophobicContact CE1-CD1 4.08Å; Y216-L248 HydrophobicContact CE1-CD2 3.85Å; Y216-L248 HydrophobicContact CG-CD1 4.21Å; L219-L248 HydrophobicContact CB-CD1 4.06Å; L219-L248 HydrophobicContact CD2-CD1 4.19Å; D235-L248 HydrophobicContact CB-CD2 3.9Å; D235-L248 WeakPolarHBondContact OD1-CD2 3.43Å; I237-L248 HydrophobicContact CB-CD2 4.37Å; I237-L248 HydrophobicContact CD1-CD1 4.24Å; I237-L248 HydrophobicContact CD1-CD2 4.13Å; I237-L248 HydrophobicContact CD1-CG 3.7Å; I237-L248 HydrophobicContact CG1-CD2 4.14Å; I237-L248 HydrophobicContact CG1-CG 4.12Å; L248-Q263 CarbonylContact O-C 3.54Å; L248-Q263 WeakPolarHBondContact O-CA 3.33Å; L248-I264 HydrophobicContact CB-CB 4.18Å; L248-I264 HydrophobicContact CB-CD1 4.43Å; L248-I264 PolarHBondContact N-O 2.9Å; L248-I264 PolarHBondContact O-N 3.1Å
249	H	95.6	Very high	87.7	Confident	37 Å²	37	31.2 Å²	31.2	17%	0.171	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	130.9	174.2	-70.5	-158.1	0	0	0	108.9	V233 K234 Y236 Y245	V233-H249 CarbonylContact C-O 3.47Å; V233-H249 VanDerWaalsContact CA-O 3.3Å; V233-H249 WeakPolarHBondContact CA-O 3.36Å; K234-H249 HydrophobicContact CB-CB 4.21Å; K234-H249 PolarHBondContact N-O 2.66Å; K234-H249 PolarHBondContact O-N 3.06Å; Y236-H249 AromaticContact CD2-CD2 3.99Å; Y236-H249 AromaticContact CE2-CE1 3.95Å; Y236-H249 AromaticContact CE2-CG 3.97Å; Y236-H249 AromaticContact CE2-ND1 3.75Å; Y245-H249 AromaticContact CE1-CE1 3.89Å; Y245-H249 AromaticContact CE1-NE2 3.44Å; Y245-H249 WeakPolarHBondContact CE1-NE2 3.24Å; Y245-H249 AromaticContact CZ-NE2 3.48Å; Y245-H249 PolarHBondContact OH-CE1 2.6Å; Y245-H249 PolarHBondContact OH-NE2 3.33Å
250	T	95.3	Very high	87.8	Confident	4 Å²	4	28.7 Å²	28.7	3%	0.025	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	137	171.3	-177.8	0	0	0	0	110.2	L219 H223 M252 E261 V262	L219-T250 HydrophobicContact CD1-CG2 3.92Å; H223-T250 PolarHBondContact NE2-OG1 3.01Å; T250-M252 HydrophobicContact CG2-CE 4.18Å; T250-M252 HydrophobicContact CG2-CG 4.37Å; T250-M252 HydrophobicContact CG2-SD 4.16Å; T250-E261 WeakPolarHBondContact O-CA 3.43Å; T250-V262 HydrophobicContact CG2-CB 3.96Å; T250-V262 PolarHBondContact N-O 2.9Å; T250-V262 PolarHBondContact O-N 2.94Å
251	S	92.9	Very high	88.1	Confident	7 Å²	7	30 Å²	30	5%	0.049	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	126.3	167.9	-173.8	0	0	0	0	108.7	R229 R232 V260	R229-S251 WeakPolarHBondContact CB-O 3.43Å; R229-S251 PolarHBondContact N-O 3.05Å; R232-S251 PolarHBondContact O-N 2.79Å; S251-V260 CarbonylContact C-O 3.53Å; S251-V260 WeakPolarHBondContact CA-O 3.45Å
252	M	93.4	Very high	88.5	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	168.7	-175.3	-54.6	175.1	-67.6	0	0	110.1	M222 Y226 K227 T250 P259 V260 V262	M222-M252 VanDerWaalsContact C-SD 3.52Å; M222-M252 HydrophobicContact CB-CE 3.89Å; M222-M252 HydrophobicContact CB-SD 3.82Å; Y226-M252 HydrophobicContact CD2-CE 4.04Å; K227-M252 CarbonylContact O-C 3.54Å; K227-M252 VanDerWaalsContact O-CA 3.29Å; K227-M252 WeakPolarHBondContact O-CA 3.45Å; K227-M252 WeakPolarHBondContact O-CB 3.3Å; T250-M252 HydrophobicContact CG2-CE 4.18Å; T250-M252 HydrophobicContact CG2-CG 4.37Å; T250-M252 HydrophobicContact CG2-SD 4.16Å; M252-P259 WeakPolarHBondContact O-CA 3.4Å; M252-V260 HydrophobicContact CE-CG1 4.35Å; M252-V260 PolarHBondContact N-O 3.2Å; M252-V260 PolarHBondContact O-N 3.28Å; M252-V262 HydrophobicContact CE-CB 4.31Å; M252-V262 HydrophobicContact CE-CG2 3.48Å; M252-V262 VanDerWaalsContact CE-CG2 3.48Å
253	I	90.8	Very high	89.4	Confident	86 Å²	86	28.1 Å²	28.1	44%	0.441	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	106.9	174.6	-55.8	176.4	0	0	0	107.8	K227 R229	K227-I253 PolarHBondContact O-N 3.34Å; R229-I253 HydrophobicContact CG-CD1 4.38Å; R229-I253 HydrophobicContact CG-CG1 3.83Å
254	G	87.1	Confident	90.2	Very high	9 Å²	9	27.1 Å²	27.1	9%	0.093	15%	0.15	C	C	.	.			trans	-85.1	-164.6	177.6	0	0	0	0	0	113.5	G257 V258	G254-G257 PolarHBondContact O-N 3.17Å; G254-V258 WeakPolarHBondContact CA-O 3.39Å; G254-V258 PolarHBondContact N-O 3.37Å
255	P	84.1	Confident	90.9	Very high	25 Å²	25	27.1 Å²	27.1	16%	0.162	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-56.2	142.3	-179.6	-23.4	34.5	0	0	0	111.7	I158 Y226 G257 V258	I158-P255 HydrophobicContact CG1-CG 4.33Å; Y226-P255 HydrophobicContact CE1-CG 4.12Å; P255-G257 PolarHBondContact O-N 2.87Å; P255-G257 VanDerWaalsContact O-N 3.11Å; P255-V258 PolarHBondContact O-N 3.28Å
256	H	81.1	Confident	91.2	Very high	167 Å²	167	26.2 Å²	26.2	77%	0.773	15%	0.147	S	C	*	.	G	3₁₀ helix	trans	57.2	22.4	-179	-50	-75	0	0	0	114.9	V258	H256-V258 VanDerWaalsContact C-N 3.28Å; H256-V258 PolarHBondContact O-N 3.38Å
257	G	81	Confident	91.2	Very high	52 Å²	52	26.9 Å²	26.9	54%	0.536	15%	0.15	S	C	.	.	G	3₁₀ helix	trans	78.4	9.7	178.5	0	0	0	0	0	114.3	G254 P255	G254-G257 PolarHBondContact O-N 3.17Å; P255-G257 PolarHBondContact O-N 2.87Å; P255-G257 VanDerWaalsContact O-N 3.11Å
258	V	81	Confident	90.8	Very high	17 Å²	17	31.5 Å²	31.5	10%	0.103	18%	0.175	C	C	.	.			trans	-71.6	128.5	-179.7	178	0	0	0	0	109.7	M154 M200 G254 P255 H256 V260	M154-V258 HydrophobicContact CE-CG2 4.04Å; M154-V258 HydrophobicContact SD-CB 4.28Å; M154-V258 HydrophobicContact SD-CG1 4.31Å; M154-V258 HydrophobicContact SD-CG2 3.7Å; M200-V258 HydrophobicContact CE-CB 4.3Å; M200-V258 HydrophobicContact CE-CG1 4.1Å; M200-V258 HydrophobicContact CE-CG2 3.7Å; G254-V258 WeakPolarHBondContact CA-O 3.39Å; G254-V258 PolarHBondContact N-O 3.37Å; P255-V258 PolarHBondContact O-N 3.28Å; H256-V258 VanDerWaalsContact C-N 3.28Å; H256-V258 PolarHBondContact O-N 3.38Å; V258-V260 PolarHBondContact O-N 3.4Å
259	P	85.2	Confident	90.6	Very high	21 Å²	21	32.2 Å²	32.2	14%	0.136	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	128.1	174.4	25.8	-33.8	0	0	0	110.8	M200 D201 M252	M200-P259 HydrophobicContact CB-CG 3.37Å; M200-P259 HydrophobicContact CG-CG 4.36Å; D201-P259 WeakPolarHBondContact OD1-CB 3.3Å; D201-P259 WeakPolarHBondContact OD1-CG 3.27Å; M252-P259 WeakPolarHBondContact O-CA 3.4Å
260	V	89	Confident	90.4	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.012	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	115.7	176.8	179.1	0	0	0	0	108.1	I158 F205 Y226 S251 M252 V258 V262	I158-V260 HydrophobicContact CD1-CG2 3.96Å; I158-V260 HydrophobicContact CG2-CG1 4.01Å; I158-V260 HydrophobicContact CG2-CG2 4.32Å; F205-V260 HydrophobicContact CD2-CG1 3.81Å; F205-V260 HydrophobicContact CE2-CG1 3.93Å; Y226-V260 HydrophobicContact CE2-CG1 4.48Å; S251-V260 CarbonylContact C-O 3.53Å; S251-V260 WeakPolarHBondContact CA-O 3.45Å; M252-V260 HydrophobicContact CE-CG1 4.35Å; M252-V260 PolarHBondContact N-O 3.2Å; M252-V260 PolarHBondContact O-N 3.28Å; V258-V260 PolarHBondContact O-N 3.4Å; V260-V262 HydrophobicContact CG1-CG2 3.99Å
261	E	91.8	Very high	90	Very high	43 Å²	43	33.8 Å²	33.8	20%	0.201	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	125.7	173.7	-68.5	-174.3	158.9	0	0	109.5	K180 A204 F205 T250	K180-E261 WeakPolarHBondContact CE-OE2 3.32Å; K180-E261 IonicContact NZ-OE1 2.81Å; K180-E261 IonicContact NZ-OE2 3.04Å; K180-E261 PolarHBondContact NZ-OE2 3.42Å; A204-E261 CarbonylContact C-O 3.52Å; A204-E261 WeakPolarHBondContact CA-O 3.27Å; A204-E261 HydrophobicContact CB-CB 4.13Å; F205-E261 PolarHBondContact N-O 2.91Å; T250-E261 WeakPolarHBondContact O-CA 3.43Å
262	V	94.8	Very high	89.7	Confident	1 Å²	1	34.5 Å²	34.5	1%	0.006	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	132.8	176.8	-172.9	0	0	0	0	109.6	I162 F205 V207 M222 T250 M252 V260 I264	I162-V262 HydrophobicContact CD1-CG2 4.2Å; F205-V262 HydrophobicContact CB-CG2 4.3Å; F205-V262 CarbonylContact O-C 3.49Å; F205-V262 WeakPolarHBondContact O-CA 3.4Å; V207-V262 HydrophobicContact CG2-CG1 3.83Å; M222-V262 HydrophobicContact CG-CG1 4.24Å; M222-V262 HydrophobicContact SD-CG1 4.25Å; M222-V262 HydrophobicContact SD-CG2 4.29Å; T250-V262 HydrophobicContact CG2-CB 3.96Å; T250-V262 PolarHBondContact N-O 2.9Å; T250-V262 PolarHBondContact O-N 2.94Å; M252-V262 HydrophobicContact CE-CB 4.31Å; M252-V262 HydrophobicContact CE-CG2 3.48Å; M252-V262 VanDerWaalsContact CE-CG2 3.48Å; V260-V262 HydrophobicContact CG1-CG2 3.99Å; V262-I264 HydrophobicContact CG1-CG1 4.03Å
263	Q	96.4	Very high	89.4	Confident	28 Å²	28	34.9 Å²	34.9	13%	0.131	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	124.2	173.5	-62.7	-178.9	-7.5	0	0	108.6	F205 R206 V207 L248	F205-Q263 PolarHBondContact O-N 2.83Å; R206-Q263 CarbonylContact C-O 3.56Å; R206-Q263 VanDerWaalsContact CA-O 3.29Å; R206-Q263 WeakPolarHBondContact CA-O 3.19Å; V207-Q263 PolarHBondContact N-O 3.36Å; L248-Q263 CarbonylContact O-C 3.54Å; L248-Q263 WeakPolarHBondContact O-CA 3.33Å
264	I	97.6	Very high	89.1	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	132.2	-178.2	-48.8	158.4	0	0	0	107.8	V207 C215 V218 L219 M222 S247 L248 V262	V207-I264 HydrophobicContact CB-CG1 4.42Å; V207-I264 HydrophobicContact CB-CG2 4.49Å; V207-I264 WeakPolarHBondContact O-CA 3.22Å; C215-I264 HydrophobicContact CB-CG2 3.95Å; V218-I264 HydrophobicContact CB-CD1 4.25Å; V218-I264 HydrophobicContact CB-CG2 3.88Å; V218-I264 HydrophobicContact CG1-CB 4.41Å; V218-I264 HydrophobicContact CG1-CD1 3.66Å; V218-I264 HydrophobicContact CG1-CG1 3.76Å; V218-I264 HydrophobicContact CG1-CG2 3.75Å; L219-I264 HydrophobicContact CB-CD1 3.87Å; L219-I264 HydrophobicContact CD1-CD1 4.08Å; M222-I264 HydrophobicContact CG-CD1 4.37Å; S247-I264 CarbonylContact C-O 3.22Å; S247-I264 VanDerWaalsContact CA-O 3.29Å; S247-I264 WeakPolarHBondContact CA-O 3.41Å; S247-I264 PolarHBondContact OG-N 3.02Å; S247-I264 PolarHBondContact OG-O 3.22Å; L248-I264 HydrophobicContact CB-CB 4.18Å; L248-I264 HydrophobicContact CB-CD1 4.43Å; L248-I264 PolarHBondContact N-O 2.9Å; L248-I264 PolarHBondContact O-N 3.1Å; V262-I264 HydrophobicContact CG1-CG1 4.03Å
265	R	96.6	Very high	89	Confident	1 Å²	1	33.9 Å²	33.9	0%	0.004	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.3	165.9	-178.8	60.3	-170.1	178.4	-179.1	12.3	111.7	R206 V207 I208 V209 M269 D270 E274	R206-R265 VanDerWaalsContact NH2-NH2 3.15Å; V207-R265 PolarHBondContact O-N 2.75Å; V207-R265 VanDerWaalsContact O-N 3.11Å; I208-R265 VanDerWaalsContact CA-O 3.28Å; I208-R265 WeakPolarHBondContact CA-O 3.42Å; I208-R265 HydrophobicContact CG2-CG 4.48Å; I208-R265 WeakPolarHBondContact CG2-O 3.34Å; V209-R265 PolarHBondContact N-O 2.73Å; R265-M269 HydrophobicContact CB-CB 3.82Å; R265-M269 HydrophobicContact CB-SD 4.21Å; R265-D270 HydrophobicContact CG-CB 4.31Å; R265-D270 IonicContact CZ-OD1 3.38Å; R265-D270 IonicContact NE-OD1 3.12Å; R265-D270 PolarHBondContact NE-OD1 2.93Å; R265-D270 IonicContact NH2-OD1 3.89Å; R265-D270 PolarHBondContact NH2-OD1 3.5Å; R265-E274 IonicContact NH2-OE1 2.64Å
266	T	95.8	Very high	89	Confident	9 Å²	9	32.7 Å²	32.7	6%	0.055	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	168	173.3	70	0	0	0	0	112.8	V209 D268 M269 D270	V209-T266 CarbonylContact O-C 3.47Å; V209-T266 WeakPolarHBondContact O-CA 3.32Å; V209-T266 WeakPolarHBondContact O-CB 3.33Å; T266-D268 VanDerWaalsContact C-N 3.32Å; T266-D268 PolarHBondContact O-N 2.89Å; T266-M269 HydrophobicContact CG2-CE 4.07Å; T266-M269 HydrophobicContact CG2-SD 4.13Å; T266-M269 CarbonylContact O-C 3.6Å; T266-M269 PolarHBondContact O-N 3.05Å; T266-M269 VanDerWaalsContact OG1-CG 3.24Å; T266-M269 WeakPolarHBondContact OG1-CG 3.47Å; T266-M269 PolarHBondContact OG1-N 3.08Å; T266-D270 WeakPolarHBondContact O-CB 3.22Å; T266-D270 PolarHBondContact O-N 3.32Å
267	E	92.5	Very high	88.9	Confident	52 Å²	52	24.7 Å²	24.7	24%	0.243	14%	0.139	C	C	.	.	H	α-helix	trans	-54.8	-45.4	171	-101.7	49.8	-147.9	0	0	112.1	R174 I208 V209 M269 D270 Q271	R174-E267 IonicContact CZ-OE1 3.91Å; R174-E267 IonicContact NE-OE1 2.79Å; R174-E267 PolarHBondContact NE-OE1 3.4Å; R174-E267 IonicContact NH2-OE1 3.12Å; R174-E267 PolarHBondContact NH2-OE1 3.24Å; I208-E267 WeakPolarHBondContact CB-OE1 3.47Å; I208-E267 HydrophobicContact CG2-CG 4.37Å; I208-E267 WeakPolarHBondContact CG2-OE1 3.43Å; I208-E267 WeakPolarHBondContact CG2-OE2 3.22Å; V209-E267 PolarHBondContact N-OE2 3.39Å; V209-E267 PolarHBondContact O-N 2.96Å; E267-M269 PolarHBondContact O-N 3.26Å; E267-D270 WeakPolarHBondContact O-CB 3.08Å; E267-D270 PolarHBondContact O-N 3.38Å; E267-Q271 PolarHBondContact O-N 2.97Å
268	D	88.6	Confident	88.8	Confident	97 Å²	97	22.2 Å²	22.2	52%	0.519	11%	0.114	S	C	.	.	H	α-helix	trans	-64.1	-41.7	176.8	-62.1	-29.8	0	0	0	111.9	T266 D270 Q271 M272	T266-D268 VanDerWaalsContact C-N 3.32Å; T266-D268 PolarHBondContact O-N 2.89Å; D268-D270 VanDerWaalsContact C-N 3.32Å; D268-D270 PolarHBondContact O-N 3.42Å; D268-Q271 PolarHBondContact O-N 3.42Å; D268-M272 VanDerWaalsContact O-CB 3.25Å; D268-M272 WeakPolarHBondContact O-CB 3.13Å; D268-M272 PolarHBondContact O-N 2.66Å
269	M	92	Very high	88.5	Confident	18 Å²	18	21.6 Å²	21.6	9%	0.089	11%	0.11	C	C	.	.	H	α-helix	trans	-67.2	-32.8	175.7	-67.8	175.1	-167.9	0	0	112.1	I237 Q246 R265 T266 E267 A273	I237-M269 HydrophobicContact CD1-CE 4.09Å; I237-M269 HydrophobicContact CD1-SD 3.88Å; I237-M269 HydrophobicContact CG1-CE 4.12Å; I237-M269 HydrophobicContact CG1-SD 3.88Å; I237-M269 HydrophobicContact CG2-CE 3.81Å; Q246-M269 HydrophobicContact CB-CB 4.32Å; Q246-M269 HydrophobicContact CB-CG 3.8Å; Q246-M269 HydrophobicContact CB-SD 3.89Å; R265-M269 HydrophobicContact CB-CB 3.82Å; R265-M269 HydrophobicContact CB-SD 4.21Å; T266-M269 HydrophobicContact CG2-CE 4.07Å; T266-M269 HydrophobicContact CG2-SD 4.13Å; T266-M269 CarbonylContact O-C 3.6Å; T266-M269 PolarHBondContact O-N 3.05Å; T266-M269 VanDerWaalsContact OG1-CG 3.24Å; T266-M269 WeakPolarHBondContact OG1-CG 3.47Å; T266-M269 PolarHBondContact OG1-N 3.08Å; E267-M269 PolarHBondContact O-N 3.26Å; M269-A273 WeakPolarHBondContact O-CB 3.4Å; M269-A273 PolarHBondContact O-N 3.23Å
270	D	91.5	Very high	87.7	Confident	23 Å²	23	22.8 Å²	22.8	12%	0.123	11%	0.114	C	C	.	.	H	α-helix	trans	-65.9	-48.4	174.3	-168.8	72.9	0	0	0	110.7	R206 I208 R265 T266 E267 D268 A273 E274	R206-D270 VanDerWaalsContact CD-OD1 3.26Å; R206-D270 WeakPolarHBondContact CD-OD1 3.38Å; R206-D270 IonicContact CZ-OD1 3.93Å; R206-D270 IonicContact NE-OD1 3.15Å; R206-D270 IonicContact NH1-OD1 3.36Å; R206-D270 PolarHBondContact NH1-OD1 3.13Å; R206-D270 IonicContact NH1-OD2 3.64Å; I208-D270 HydrophobicContact CD1-CB 4.3Å; I208-D270 HydrophobicContact CG2-CB 3.9Å; R265-D270 HydrophobicContact CG-CB 4.31Å; R265-D270 IonicContact CZ-OD1 3.38Å; R265-D270 IonicContact NE-OD1 3.12Å; R265-D270 PolarHBondContact NE-OD1 2.93Å; R265-D270 IonicContact NH2-OD1 3.89Å; R265-D270 PolarHBondContact NH2-OD1 3.5Å; T266-D270 WeakPolarHBondContact O-CB 3.22Å; T266-D270 PolarHBondContact O-N 3.32Å; E267-D270 WeakPolarHBondContact O-CB 3.08Å; E267-D270 PolarHBondContact O-N 3.38Å; D268-D270 VanDerWaalsContact C-N 3.32Å; D268-D270 PolarHBondContact O-N 3.42Å; D270-A273 PolarHBondContact O-N 2.98Å; D270-E274 WeakPolarHBondContact O-CG 3.29Å; D270-E274 PolarHBondContact O-N 3.26Å
271	Q	86.7	Confident	86.7	Confident	51 Å²	51	24.2 Å²	24.2	24%	0.238	12%	0.119	C	C	.	.	H	α-helix	trans	-63.1	-44	176.3	-175.6	168.6	-14.1	0	0	111.9	E267 D268 A273 E274 M275 A279 Y283	E267-Q271 PolarHBondContact O-N 2.97Å; D268-Q271 PolarHBondContact O-N 3.42Å; Q271-A273 VanDerWaalsContact C-N 3.29Å; Q271-A273 PolarHBondContact O-N 2.84Å; Q271-E274 PolarHBondContact O-N 3.43Å; Q271-M275 HydrophobicContact CG-CG 4.33Å; Q271-M275 VanDerWaalsContact O-CB 3.29Å; Q271-M275 WeakPolarHBondContact O-CB 3.4Å; Q271-M275 WeakPolarHBondContact O-CG 3.39Å; Q271-M275 PolarHBondContact O-N 3.42Å; Q271-A279 HydrophobicContact CG-CB 4.26Å; Q271-Y283 HydrophobicContact CG-CE2 4.44Å; Q271-Y283 PolarHBondContact OE1-OH 3.41Å
272	M	85.9	Confident	85.1	Confident	23 Å²	23	23.9 Å²	23.9	11%	0.113	12%	0.123	C	C	.	.	H	α-helix	trans	-60.1	-39.7	174.1	-174.5	56	63.6	0	0	111.6	D268 G276 A279 T291 A293	D268-M272 VanDerWaalsContact O-CB 3.25Å; D268-M272 WeakPolarHBondContact O-CB 3.13Å; D268-M272 PolarHBondContact O-N 2.66Å; M272-G276 WeakPolarHBondContact O-CA 3.2Å; M272-G276 PolarHBondContact O-N 3.32Å; M272-G276 VanDerWaalsContact SD-O 3.36Å; M272-A279 HydrophobicContact CE-CB 3.99Å; M272-A279 HydrophobicContact SD-CB 4.36Å; M272-T291 VanDerWaalsContact CE-CB 3.45Å; M272-T291 HydrophobicContact CE-CG2 3.72Å; M272-A293 HydrophobicContact CE-CB 4.38Å; M272-A293 HydrophobicContact CG-CB 4.47Å; M272-A293 HydrophobicContact SD-CB 3.29Å; M272-A293 WeakPolarHBondContact SD-CB 3.15Å
273	A	87.6	Confident	83.3	Confident	7 Å²	7	29.3 Å²	29.3	6%	0.058	14%	0.144	C	C	.	.	H	α-helix	trans	-73	-26.5	179.4	0	0	0	0	0	114	H118 Y245 M269 D270 Q271	H118-A273 WeakPolarHBondContact CB-O 3.5Å; Y245-A273 HydrophobicContact CD2-CB 3.65Å; Y245-A273 HydrophobicContact CE2-CB 3.7Å; M269-A273 WeakPolarHBondContact O-CB 3.4Å; M269-A273 PolarHBondContact O-N 3.23Å; D270-A273 PolarHBondContact O-N 2.98Å; Q271-A273 VanDerWaalsContact C-N 3.29Å; Q271-A273 PolarHBondContact O-N 2.84Å
274	E	85.5	Confident	81.2	Confident	40 Å²	40	34.3 Å²	34.3	19%	0.187	17%	0.166	C	C	.	.	H	α-helix	trans	-88.6	-36	177.4	-65.6	-61.4	158.1	0	0	112.2	H118 H119 R206 R265 D270 Q271	H118-E274 PolarHBondContact N-O 3.27Å; H119-E274 PolarHBondContact N-O 2.88Å; H119-E274 PolarHBondContact ND1-O 3.41Å; R206-E274 IonicContact CZ-OE1 2.79Å; R206-E274 IonicContact NH1-OE1 3.25Å; R206-E274 PolarHBondContact NH1-OE1 2.85Å; R206-E274 VanDerWaalsContact NH1-OE1 3.09Å; R206-E274 IonicContact NH2-OE1 2.78Å; R206-E274 PolarHBondContact NH2-OE1 2.9Å; R265-E274 IonicContact NH2-OE1 2.64Å; D270-E274 WeakPolarHBondContact O-CG 3.29Å; D270-E274 PolarHBondContact O-N 3.26Å; Q271-E274 PolarHBondContact O-N 3.43Å
275	M	83.5	Confident	78.9	Confident	34 Å²	34	42.8 Å²	42.8	17%	0.167	21%	0.205	C	C	.	.	H	α-helix	trans	-108.9	-18.5	-171	-55.4	-55	-60.4	0	0	114	M1 Q271 V277 A278 A279	M1-M275 HydrophobicContact CB-CE 3.97Å; M1-M275 HydrophobicContact CG-CE 3.67Å; Q271-M275 HydrophobicContact CG-CG 4.33Å; Q271-M275 VanDerWaalsContact O-CB 3.29Å; Q271-M275 WeakPolarHBondContact O-CB 3.4Å; Q271-M275 WeakPolarHBondContact O-CG 3.39Å; Q271-M275 PolarHBondContact O-N 3.42Å; M275-V277 PolarHBondContact O-N 3.33Å; M275-A278 HydrophobicContact CB-CB 4.42Å; M275-A278 HydrophobicContact CE-CB 4.33Å; M275-A278 VanDerWaalsContact O-CB 3.23Å; M275-A278 WeakPolarHBondContact O-CB 3.37Å; M275-A278 PolarHBondContact O-N 3.17Å; M275-A279 HydrophobicContact CB-CB 4.05Å
276	G	84.7	Confident	76.6	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	54.8	-132.2	-179.8	0	0	0	0	0	112.3	L115 G116 M272 A278 A279	L115-G276 WeakPolarHBondContact O-CA 3.3Å; G116-G276 VanDerWaalsContact C-CA 3.48Å; G116-G276 VanDerWaalsContact O-CA 3.26Å; G116-G276 WeakPolarHBondContact O-CA 3.33Å; G116-G276 PolarHBondContact O-N 3.06Å; G116-G276 VanDerWaalsContact O-N 3.15Å; M272-G276 WeakPolarHBondContact O-CA 3.2Å; M272-G276 PolarHBondContact O-N 3.32Å; M272-G276 VanDerWaalsContact SD-O 3.36Å; G276-A278 PolarHBondContact O-N 3.5Å; G276-A279 VanDerWaalsContact O-CB 3.24Å; G276-A279 WeakPolarHBondContact O-CB 3.48Å; G276-A279 PolarHBondContact O-N 3.04Å
277	V	80.3	Confident	74.4	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-53.3	-28.2	174.9	-64.3	0	0	0	0	113.5	I72 L76 L115 I117 M275 A279 W281 A293 Q294 A297	I72-V277 HydrophobicContact CD1-CB 3.78Å; I72-V277 HydrophobicContact CD1-CG1 3.84Å; I72-V277 HydrophobicContact CD1-CG2 3.73Å; I72-V277 HydrophobicContact CG1-CG2 4.47Å; L76-V277 HydrophobicContact CD2-CG2 4.23Å; L115-V277 HydrophobicContact CB-CG2 3.99Å; L115-V277 HydrophobicContact CD2-CG1 4.44Å; L115-V277 HydrophobicContact CD2-CG2 4.41Å; L115-V277 PolarHBondContact O-N 3.48Å; I117-V277 HydrophobicContact CD1-CG2 4.13Å; I117-V277 HydrophobicContact CG1-CG2 4.23Å; M275-V277 PolarHBondContact O-N 3.33Å; V277-A279 PolarHBondContact O-N 2.93Å; V277-W281 WeakPolarHBondContact O-CZ3 3.18Å; V277-A293 HydrophobicContact CG1-CB 4.28Å; V277-Q294 HydrophobicContact CB-CG 4.45Å; V277-A297 HydrophobicContact CG1-CB 3.53Å
278	A	78.5	Confident	72.4	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-71.1	-15.1	179.7	0	0	0	0	0	113.5	L3 M275 G276 H280	L3-A278 HydrophobicContact CD2-CB 4.1Å; M275-A278 HydrophobicContact CB-CB 4.42Å; M275-A278 HydrophobicContact CE-CB 4.33Å; M275-A278 VanDerWaalsContact O-CB 3.23Å; M275-A278 WeakPolarHBondContact O-CB 3.37Å; M275-A278 PolarHBondContact O-N 3.17Å; G276-A278 PolarHBondContact O-N 3.5Å; A278-H280 VanDerWaalsContact C-N 3.3Å; A278-H280 PolarHBondContact O-N 3.4Å
279	A	74.3	Confident	71	Confident	3 Å²	3	59.5 Å²	59.5	3%	0.025	31%	0.311	C	S	.	.	H	α-helix	trans	-62.9	-33.5	-178.2	0	0	0	0	0	113	Q271 M272 M275 G276 V277 W281 A282	Q271-A279 HydrophobicContact CG-CB 4.26Å; M272-A279 HydrophobicContact CE-CB 3.99Å; M272-A279 HydrophobicContact SD-CB 4.36Å; M275-A279 HydrophobicContact CB-CB 4.05Å; G276-A279 VanDerWaalsContact O-CB 3.24Å; G276-A279 WeakPolarHBondContact O-CB 3.48Å; G276-A279 PolarHBondContact O-N 3.04Å; V277-A279 PolarHBondContact O-N 2.93Å; A279-W281 PolarHBondContact O-N 2.99Å; A279-A282 WeakPolarHBondContact O-CB 3.27Å; A279-A282 PolarHBondContact O-N 2.93Å; A279-A282 VanDerWaalsContact O-N 3.14Å
280	H	68.1	Low	69.6	Low	46 Å²	46	61.3 Å²	61.3	21%	0.213	33%	0.325	C	S	.	.	H	α-helix	trans	-60.9	-40	-177.4	175.6	-90.3	0	0	0	113.2	A278 A282 Y283 K284 T291 Q294	A278-H280 VanDerWaalsContact C-N 3.3Å; A278-H280 PolarHBondContact O-N 3.4Å; H280-A282 PolarHBondContact O-N 3.34Å; H280-Y283 PolarHBondContact O-N 2.94Å; H280-K284 PolarHBondContact O-N 3.11Å; H280-T291 HydrophobicContact CB-CG2 3.99Å; H280-Q294 VanDerWaalsContact CB-CD 3.45Å; H280-Q294 PolarHBondContact CD2-OE1 3.26Å; H280-Q294 PolarHBondContact ND1-NE2 3.27Å
281	W	67.9	Low	68.6	Low	33 Å²	33	61.7 Å²	61.7	13%	0.125	33%	0.328	C	S	.	.	H	α-helix	trans	-67.3	-23	179.3	-69.8	-89.2	0	0	0	113.1	L3 D4 I72 R73 L76 V277 A279 Y283	L3-W281 HydrophobicContact CD2-CB 4.5Å; L3-W281 HydrophobicContact CD2-CD2 4.22Å; L3-W281 HydrophobicContact CD2-CE3 3.93Å; L3-W281 HydrophobicContact CD2-CG 4.48Å; L3-W281 HydrophobicContact CD2-CZ3 4.46Å; D4-W281 PolarHBondContact OD1-NE1 3.16Å; I72-W281 HydrophobicContact CG2-CH2 3.67Å; I72-W281 HydrophobicContact CG2-CZ2 4.18Å; R73-W281 HydrophobicContact CG-CH2 4.48Å; R73-W281 HydrophobicContact CG-CZ2 3.89Å; L76-W281 HydrophobicContact CD1-CE3 4.48Å; L76-W281 HydrophobicContact CD1-CH2 3.9Å; L76-W281 HydrophobicContact CD1-CZ3 3.75Å; V277-W281 WeakPolarHBondContact O-CZ3 3.18Å; A279-W281 PolarHBondContact O-N 2.99Å; W281-Y283 VanDerWaalsContact C-N 3.29Å; W281-Y283 PolarHBondContact O-N 3Å
282	A	58.9	Low	67.9	Low	35 Å²	35	62 Å²	62	29%	0.289	33%	0.334	S	S	.	.	H	α-helix	trans	-73.9	-19	173.8	0	0	0	0	0	113.3	K2 A279 H280	K2-A282 HydrophobicContact CB-CB 4.26Å; K2-A282 HydrophobicContact CD-CB 4.2Å; A279-A282 WeakPolarHBondContact O-CB 3.27Å; A279-A282 PolarHBondContact O-N 2.93Å; A279-A282 VanDerWaalsContact O-N 3.14Å; H280-A282 PolarHBondContact O-N 3.34Å
283	Y	55.5	Low	67.2	Low	115 Å²	115	61 Å²	61	45%	0.451	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.7	14.8	-175.2	-82.6	-70.6	0	0	0	114.7	Q271 H280 W281 E285 H286	Q271-Y283 HydrophobicContact CG-CE2 4.44Å; Q271-Y283 PolarHBondContact OE1-OH 3.41Å; H280-Y283 PolarHBondContact O-N 2.94Å; W281-Y283 VanDerWaalsContact C-N 3.29Å; W281-Y283 PolarHBondContact O-N 3Å; Y283-E285 PolarHBondContact O-N 2.9Å; Y283-H286 PolarHBondContact O-N 2.92Å
284	K	52.9	Low	66.5	Low	133 Å²	133	61.8 Å²	61.8	58%	0.578	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-3.5	179.9	-96	-171.1	174.9	-174.9	0	115.7	H280	H280-K284 PolarHBondContact O-N 3.11Å
285	E	49.9	Very low	65.9	Low	178 Å²	178	63 Å²	63	83%	0.832	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-20.2	176.9	-70.1	-175.6	165.2	0	0	114.5	Y283	Y283-E285 PolarHBondContact O-N 2.9Å
286	H	48	Very low	65.5	Low	139 Å²	139	63.8 Å²	63.8	64%	0.644	34%	0.34	S	S	*	.	S	Bend	trans	-111	8.4	-167.2	-72	57.2	0	0	0	116.3	Y283 E288	Y283-H286 PolarHBondContact O-N 2.92Å; H286-E288 HydrophobicContact CB-CG 4.43Å; H286-E288 PolarHBondContact O-N 3.01Å
287	G	48.7	Very low	65.1	Low	81 Å²	81	63.9 Å²	63.9	84%	0.835	34%	0.341	S	S	*	.			trans	62.7	13.2	173.7	0	0	0	0	0	115.2
288	E	51.7	Low	64.8	Low	154 Å²	154	68.8 Å²	68.8	72%	0.72	36%	0.364	S	S	*	.			trans	-76.8	143.4	-175.9	-71.8	-170.7	158	0	0	113	H286	H286-E288 HydrophobicContact CB-CG 4.43Å; H286-E288 PolarHBondContact O-N 3.01Å
289	T	58.3	Low	64.7	Low	136 Å²	136	76.9 Å²	76.9	83%	0.834	39%	0.394	S	S	*	.			trans	-48.6	150.2	173.2	15.8	0	0	0	0	114	T291	T289-T291 PolarHBondContact O-N 2.97Å
290	S	63.4	Low	64.7	Low	56 Å²	56	77.2 Å²	77.2	39%	0.392	40%	0.395	S	S	.	.			trans	-38.8	131.6	177.7	-56.2	0	0	0	0	113.7	I295	S290-I295 WeakPolarHBondContact O-CD1 3.14Å
291	T	70	Confident	65	Low	31 Å²	31	75.6 Å²	75.6	19%	0.19	39%	0.388	C	S	.	.			trans	-66.1	155.6	-179.3	59.8	0	0	0	0	112.6	M272 H280 T289 A293 Q294 I295	M272-T291 VanDerWaalsContact CE-CB 3.45Å; M272-T291 HydrophobicContact CE-CG2 3.72Å; H280-T291 HydrophobicContact CB-CG2 3.99Å; T289-T291 PolarHBondContact O-N 2.97Å; T291-A293 PolarHBondContact O-N 3.5Å; T291-A293 VanDerWaalsContact O-N 3.16Å; T291-Q294 WeakPolarHBondContact O-CB 3.31Å; T291-Q294 PolarHBondContact O-N 2.7Å; T291-Q294 VanDerWaalsContact OG1-CG 3.31Å; T291-Q294 WeakPolarHBondContact OG1-CG 3.17Å; T291-Q294 PolarHBondContact OG1-N 3.27Å; T291-Q294 PolarHBondContact OG1-OE1 3.15Å; T291-Q294 VanDerWaalsContact OG1-OE1 3.07Å; T291-I295 PolarHBondContact O-N 3.49Å
292	T	73	Confident	65.3	Low	59 Å²	59	79.6 Å²	79.6	36%	0.362	41%	0.408	S	S	.	.	H	α-helix	trans	-51.7	-40.1	177.1	-53.9	0	0	0	0	112.8	R296	T292-R296 WeakPolarHBondContact O-CB 3.44Å; T292-R296 VanDerWaalsContact O-CG 3.3Å; T292-R296 WeakPolarHBondContact O-CG 3.29Å; T292-R296 PolarHBondContact O-N 2.97Å
293	A	71.6	Confident	66	Low	2 Å²	2	79.8 Å²	79.8	2%	0.017	41%	0.407	C	S	.	.	H	α-helix	trans	-67.6	-38.7	176.9	0	0	0	0	0	112.6	M272 V277 T291 R296 A297	M272-A293 HydrophobicContact CE-CB 4.38Å; M272-A293 HydrophobicContact CG-CB 4.47Å; M272-A293 HydrophobicContact SD-CB 3.29Å; M272-A293 WeakPolarHBondContact SD-CB 3.15Å; V277-A293 HydrophobicContact CG1-CB 4.28Å; T291-A293 PolarHBondContact O-N 3.5Å; T291-A293 VanDerWaalsContact O-N 3.16Å; A293-R296 PolarHBondContact O-N 2.88Å; A293-A297 WeakPolarHBondContact O-CB 3.38Å; A293-A297 PolarHBondContact O-N 3.36Å
294	Q	71.8	Confident	66.9	Low	23 Å²	23	74.3 Å²	74.3	11%	0.107	39%	0.386	C	S	.	.	H	α-helix	trans	-65.1	-45.9	175.6	-76.2	171.6	-42.9	0	0	111.7	V277 H280 T291 R296 A297 Q298	V277-Q294 HydrophobicContact CB-CG 4.45Å; H280-Q294 VanDerWaalsContact CB-CD 3.45Å; H280-Q294 PolarHBondContact CD2-OE1 3.26Å; H280-Q294 PolarHBondContact ND1-NE2 3.27Å; T291-Q294 WeakPolarHBondContact O-CB 3.31Å; T291-Q294 PolarHBondContact O-N 2.7Å; T291-Q294 VanDerWaalsContact OG1-CG 3.31Å; T291-Q294 WeakPolarHBondContact OG1-CG 3.17Å; T291-Q294 PolarHBondContact OG1-N 3.27Å; T291-Q294 PolarHBondContact OG1-OE1 3.15Å; T291-Q294 VanDerWaalsContact OG1-OE1 3.07Å; Q294-R296 VanDerWaalsContact C-N 3.29Å; Q294-R296 PolarHBondContact O-N 3.09Å; Q294-A297 PolarHBondContact O-N 3.28Å; Q294-Q298 WeakPolarHBondContact O-CB 2.76Å; Q294-Q298 WeakPolarHBondContact O-CG 3.21Å; Q294-Q298 PolarHBondContact O-N 3.36Å
295	I	73.9	Confident	68	Low	66 Å²	66	70.5 Å²	70.5	34%	0.338	37%	0.371	S	S	.	.	H	α-helix	trans	-59.6	-44.3	178	-64.1	170.8	0	0	0	110.1	S290 T291 Q298 R299	S290-I295 WeakPolarHBondContact O-CD1 3.14Å; T291-I295 PolarHBondContact O-N 3.49Å; I295-Q298 PolarHBondContact O-N 2.63Å; I295-R299 WeakPolarHBondContact O-CG 3.42Å; I295-R299 PolarHBondContact O-N 2.75Å
296	R	75.1	Confident	69	Low	49 Å²	49	66 Å²	66	19%	0.185	35%	0.35	C	S	.	.	H	α-helix	trans	-67.7	-40.9	177.8	-71.3	178.4	-177.7	-120.9	2.4	112.4	P240 K241 A242 T292 A293 Q294 R299 W300 E341	P240-R296 PolarHBondContact O-NH1 3.04Å; P240-R296 PolarHBondContact O-NH2 2.78Å; K241-R296 PolarHBondContact O-NH1 3.31Å; A242-R296 WeakPolarHBondContact O-CB 3.36Å; A242-R296 WeakPolarHBondContact O-CD 3.43Å; T292-R296 WeakPolarHBondContact O-CB 3.44Å; T292-R296 VanDerWaalsContact O-CG 3.3Å; T292-R296 WeakPolarHBondContact O-CG 3.29Å; T292-R296 PolarHBondContact O-N 2.97Å; A293-R296 PolarHBondContact O-N 2.88Å; Q294-R296 VanDerWaalsContact C-N 3.29Å; Q294-R296 PolarHBondContact O-N 3.09Å; R296-R299 PolarHBondContact O-N 2.95Å; R296-W300 WeakPolarHBondContact O-CB 3.37Å; R296-W300 PolarHBondContact O-N 2.92Å; R296-E341 IonicContact CZ-OE1 2.75Å; R296-E341 IonicContact NH1-OE1 3.51Å; R296-E341 PolarHBondContact NH1-OE1 3.49Å; R296-E341 IonicContact NH1-OE2 3.05Å; R296-E341 IonicContact NH2-OE1 2.97Å
297	A	75	Confident	70.2	Confident	3 Å²	3	59.9 Å²	59.9	3%	0.025	32%	0.322	C	S	.	.	H	α-helix	trans	-63.8	-42.4	175.5	0	0	0	0	0	111.7	I72 L115 V277 A293 Q294 W300 M301	I72-A297 HydrophobicContact CD1-CB 4.36Å; L115-A297 HydrophobicContact CD2-CB 4.22Å; V277-A297 HydrophobicContact CG1-CB 3.53Å; A293-A297 WeakPolarHBondContact O-CB 3.38Å; A293-A297 PolarHBondContact O-N 3.36Å; Q294-A297 PolarHBondContact O-N 3.28Å; A297-W300 PolarHBondContact O-N 2.8Å; A297-M301 HydrophobicContact CB-CE 4.43Å; A297-M301 VanDerWaalsContact O-CG 3.28Å; A297-M301 WeakPolarHBondContact O-CG 3.32Å; A297-M301 PolarHBondContact O-N 2.75Å
298	Q	75.4	Confident	71.1	Confident	103 Å²	103	59.3 Å²	59.3	48%	0.481	30%	0.298	S	S	.	.	H	α-helix	trans	-62.8	-45.1	174.7	-76.9	177.5	-26.4	0	0	111.9	Q294 I295 W300 M301 Q302	Q294-Q298 WeakPolarHBondContact O-CB 2.76Å; Q294-Q298 WeakPolarHBondContact O-CG 3.21Å; Q294-Q298 PolarHBondContact O-N 3.36Å; I295-Q298 PolarHBondContact O-N 2.63Å; Q298-W300 VanDerWaalsContact C-N 3.31Å; Q298-W300 PolarHBondContact O-N 2.84Å; Q298-M301 WeakPolarHBondContact O-CB 3.35Å; Q298-M301 PolarHBondContact O-N 3.14Å; Q298-Q302 WeakPolarHBondContact O-CG 3.27Å; Q298-Q302 PolarHBondContact O-N 2.63Å
299	R	75.5	Confident	72.1	Confident	170 Å²	170	59.5 Å²	59.5	64%	0.642	30%	0.298	S	S	*	.	H	α-helix	trans	-60	-42.2	174.4	-75.8	178.2	-175.4	174.5	2.8	111.9	I295 R296 Q302 S303	I295-R299 WeakPolarHBondContact O-CG 3.42Å; I295-R299 PolarHBondContact O-N 2.75Å; R296-R299 PolarHBondContact O-N 2.95Å; R299-Q302 PolarHBondContact O-N 2.93Å; R299-S303 PolarHBondContact O-N 2.92Å
300	W	74.9	Confident	72.4	Confident	9 Å²	9	53.7 Å²	53.7	3%	0.034	26%	0.263	C	S	.	.	H	α-helix	trans	-64.1	-43.7	175.2	174.5	55.4	0	0	0	111.3	M68 L111 R114 L115 R296 A297 Q298 Q302 S303 L304 L325	M68-W300 HydrophobicContact CE-CH2 4.39Å; M68-W300 HydrophobicContact CE-CZ3 4.36Å; L111-W300 HydrophobicContact CD2-CH2 3.69Å; L111-W300 HydrophobicContact CD2-CZ2 4.41Å; R114-W300 HydrophobicContact CB-CH2 4.32Å; R114-W300 HydrophobicContact CB-CZ3 4.32Å; R114-W300 HydrophobicContact CG-CD2 3.62Å; R114-W300 HydrophobicContact CG-CE3 3.67Å; R114-W300 HydrophobicContact CG-CG 4.3Å; R114-W300 HydrophobicContact CG-CH2 3.96Å; R114-W300 HydrophobicContact CG-CZ2 3.89Å; R114-W300 HydrophobicContact CG-CZ3 3.83Å; L115-W300 HydrophobicContact CD2-CZ3 4.15Å; R296-W300 WeakPolarHBondContact O-CB 3.37Å; R296-W300 PolarHBondContact O-N 2.92Å; A297-W300 PolarHBondContact O-N 2.8Å; Q298-W300 VanDerWaalsContact C-N 3.31Å; Q298-W300 PolarHBondContact O-N 2.84Å; W300-Q302 VanDerWaalsContact C-N 3.34Å; W300-Q302 PolarHBondContact O-N 2.87Å; W300-S303 PolarHBondContact O-N 2.84Å; W300-S303 VanDerWaalsContact O-N 3.12Å; W300-S303 PolarHBondContact O-OG 2.76Å; W300-L304 HydrophobicContact CD2-CD1 4.2Å; W300-L304 HydrophobicContact CH2-CD1 4.1Å; W300-L304 HydrophobicContact CZ2-CD1 3.73Å; W300-L304 WeakPolarHBondContact O-CG 3.43Å; W300-L304 PolarHBondContact O-N 2.78Å; W300-L304 VanDerWaalsContact O-N 3.07Å; W300-L325 HydrophobicContact CH2-CD2 3.98Å; W300-L325 HydrophobicContact CZ2-CD2 3.55Å; W300-L325 HydrophobicContact CZ2-CG 4.47Å
301	M	74.5	Confident	72.5	Confident	12 Å²	12	52.3 Å²	52.3	6%	0.059	26%	0.256	C	S	.	.	H	α-helix	trans	-59.3	-42	174.1	-73.6	172.9	-162.8	0	0	112.8	V69 I72 L115 A297 Q298 S303 L304 L305	V69-M301 HydrophobicContact CG2-CB 3.96Å; V69-M301 HydrophobicContact CG2-CG 4.29Å; I72-M301 HydrophobicContact CB-CE 3.92Å; I72-M301 HydrophobicContact CD1-CE 3.56Å; I72-M301 HydrophobicContact CG1-CE 3.62Å; L115-M301 HydrophobicContact CD2-CE 4.23Å; A297-M301 HydrophobicContact CB-CE 4.43Å; A297-M301 VanDerWaalsContact O-CG 3.28Å; A297-M301 WeakPolarHBondContact O-CG 3.32Å; A297-M301 PolarHBondContact O-N 2.75Å; Q298-M301 WeakPolarHBondContact O-CB 3.35Å; Q298-M301 PolarHBondContact O-N 3.14Å; M301-S303 VanDerWaalsContact C-N 3.33Å; M301-S303 PolarHBondContact O-N 2.8Å; M301-L304 WeakPolarHBondContact O-CB 3.41Å; M301-L304 PolarHBondContact O-N 2.76Å; M301-L304 VanDerWaalsContact O-N 3.1Å; M301-L305 PolarHBondContact O-N 3.21Å; M301-L305 VanDerWaalsContact O-N 3.12Å
302	Q	73.5	Confident	72.1	Confident	118 Å²	118	53.6 Å²	53.6	55%	0.551	28%	0.275	S	S	*	.	H	α-helix	trans	-60.5	-42.1	173.9	-73.3	173.5	-10.2	0	0	111.6	Q298 R299 W300 L304 L305 E306	Q298-Q302 WeakPolarHBondContact O-CG 3.27Å; Q298-Q302 PolarHBondContact O-N 2.63Å; R299-Q302 PolarHBondContact O-N 2.93Å; W300-Q302 VanDerWaalsContact C-N 3.34Å; W300-Q302 PolarHBondContact O-N 2.87Å; Q302-L304 PolarHBondContact O-N 2.81Å; Q302-L305 WeakPolarHBondContact O-CB 3.4Å; Q302-L305 PolarHBondContact O-N 2.81Å; Q302-L305 VanDerWaalsContact O-N 3.13Å; Q302-E306 PolarHBondContact O-N 2.91Å
303	S	74	Confident	71.9	Confident	39 Å²	39	53.4 Å²	53.4	27%	0.273	28%	0.276	S	S	.	.	H	α-helix	trans	-62.4	-31.9	174.5	69.8	0	0	0	0	113.1	R299 W300 M301 E306 L307	R299-S303 PolarHBondContact O-N 2.92Å; W300-S303 PolarHBondContact O-N 2.84Å; W300-S303 VanDerWaalsContact O-N 3.12Å; W300-S303 PolarHBondContact O-OG 2.76Å; M301-S303 VanDerWaalsContact C-N 3.33Å; M301-S303 PolarHBondContact O-N 2.8Å; S303-E306 PolarHBondContact O-N 3.38Å; S303-L307 WeakPolarHBondContact O-CB 3.36Å; S303-L307 VanDerWaalsContact O-CG 3.27Å; S303-L307 WeakPolarHBondContact O-CG 3.24Å; S303-L307 PolarHBondContact O-N 3.07Å
304	L	74.9	Confident	71.8	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-69.2	-35.3	175.4	-62.8	171.4	0	0	0	111.7	I65 W300 M301 Q302 L307 Q308 F317 V321	I65-L304 HydrophobicContact CD1-CD1 4.34Å; I65-L304 HydrophobicContact CG2-CB 3.85Å; I65-L304 HydrophobicContact CG2-CD1 3.56Å; I65-L304 HydrophobicContact CG2-CG 4.19Å; W300-L304 HydrophobicContact CD2-CD1 4.2Å; W300-L304 HydrophobicContact CH2-CD1 4.1Å; W300-L304 HydrophobicContact CZ2-CD1 3.73Å; W300-L304 WeakPolarHBondContact O-CG 3.43Å; W300-L304 PolarHBondContact O-N 2.78Å; W300-L304 VanDerWaalsContact O-N 3.07Å; M301-L304 WeakPolarHBondContact O-CB 3.41Å; M301-L304 PolarHBondContact O-N 2.76Å; M301-L304 VanDerWaalsContact O-N 3.1Å; Q302-L304 PolarHBondContact O-N 2.81Å; L304-L307 HydrophobicContact CD2-CD1 4.42Å; L304-L307 PolarHBondContact O-N 2.81Å; L304-Q308 WeakPolarHBondContact O-CB 3.46Å; L304-Q308 PolarHBondContact O-N 3.43Å; L304-F317 WeakPolarHBondContact O-CE2 3.48Å; L304-V321 HydrophobicContact CD2-CB 4.28Å; L304-V321 HydrophobicContact CD2-CG1 3.94Å; L304-V321 HydrophobicContact CD2-CG2 3.55Å
305	L	74.3	Confident	71.5	Confident	52 Å²	52	59.7 Å²	59.7	27%	0.272	31%	0.308	S	S	.	.	H	α-helix	trans	-64.5	-46.7	172.1	-73.5	177	0	0	0	111.8	M66 V69 M301 Q302 L307 Q308 Q309	M66-L305 HydrophobicContact CE-CD2 4.42Å; M66-L305 HydrophobicContact SD-CD2 4Å; V69-L305 HydrophobicContact CB-CD2 4.43Å; V69-L305 HydrophobicContact CB-CG 4.49Å; V69-L305 HydrophobicContact CG1-CD1 3.5Å; V69-L305 HydrophobicContact CG1-CD2 3.77Å; V69-L305 HydrophobicContact CG1-CG 3.58Å; V69-L305 HydrophobicContact CG2-CD2 4.41Å; V69-L305 HydrophobicContact CG2-CG 4.28Å; M301-L305 PolarHBondContact O-N 3.21Å; M301-L305 VanDerWaalsContact O-N 3.12Å; Q302-L305 WeakPolarHBondContact O-CB 3.4Å; Q302-L305 PolarHBondContact O-N 2.81Å; Q302-L305 VanDerWaalsContact O-N 3.13Å; L305-L307 VanDerWaalsContact C-N 3.3Å; L305-L307 PolarHBondContact O-N 3.1Å; L305-Q308 PolarHBondContact O-N 2.98Å; L305-Q308 VanDerWaalsContact O-N 3.15Å; L305-Q309 WeakPolarHBondContact O-CG 3.47Å; L305-Q309 PolarHBondContact O-N 2.9Å
306	E	71.1	Confident	71.2	Confident	85 Å²	85	58.9 Å²	58.9	40%	0.397	30%	0.303	S	S	.	.	H	α-helix	trans	-60.2	-42.3	176.9	-69.9	-176.2	-164.3	0	0	111.5	Q302 S303 Q308 Q309 S310	Q302-E306 PolarHBondContact O-N 2.91Å; S303-E306 PolarHBondContact O-N 3.38Å; E306-Q308 VanDerWaalsContact C-N 3.33Å; E306-Q308 PolarHBondContact O-N 3.06Å; E306-Q309 PolarHBondContact O-N 3.1Å; E306-S310 PolarHBondContact O-N 3.13Å; E306-S310 VanDerWaalsContact O-N 3.15Å; E306-S310 PolarHBondContact O-OG 3.09Å
307	L	72.8	Confident	70.9	Confident	9 Å²	9	56.7 Å²	56.7	5%	0.047	29%	0.294	C	S	.	.	H	α-helix	trans	-60.5	-44.1	174.6	-76.4	168.7	0	0	0	111.1	S303 L304 L305 Q309 S310 A311 F317 A410	S303-L307 WeakPolarHBondContact O-CB 3.36Å; S303-L307 VanDerWaalsContact O-CG 3.27Å; S303-L307 WeakPolarHBondContact O-CG 3.24Å; S303-L307 PolarHBondContact O-N 3.07Å; L304-L307 HydrophobicContact CD2-CD1 4.42Å; L304-L307 PolarHBondContact O-N 2.81Å; L305-L307 VanDerWaalsContact C-N 3.3Å; L305-L307 PolarHBondContact O-N 3.1Å; L307-Q309 VanDerWaalsContact C-N 3.34Å; L307-Q309 PolarHBondContact O-N 3.25Å; L307-S310 WeakPolarHBondContact CA-OG 3.11Å; L307-S310 PolarHBondContact O-N 3.07Å; L307-S310 VanDerWaalsContact O-N 3.12Å; L307-S310 PolarHBondContact O-OG 2.96Å; L307-A311 VanDerWaalsContact O-CB 3.29Å; L307-A311 WeakPolarHBondContact O-CB 3.21Å; L307-A311 PolarHBondContact O-N 3.39Å; L307-F317 HydrophobicContact CB-CD2 4.42Å; L307-F317 HydrophobicContact CB-CE2 4.27Å; L307-A410 HydrophobicContact CD2-CB 4.03Å
308	Q	68.8	Low	70.6	Confident	70 Å²	70	57.1 Å²	57.1	33%	0.327	30%	0.296	S	S	.	.	H	α-helix	trans	-64	-36.4	178.2	-176.8	-100.3	-47.2	0	0	113	M66 L304 L305 E306 S310 F317	M66-Q308 HydrophobicContact CE-CB 3.67Å; M66-Q308 HydrophobicContact CE-CG 3.68Å; M66-Q308 HydrophobicContact SD-CG 4.2Å; L304-Q308 WeakPolarHBondContact O-CB 3.46Å; L304-Q308 PolarHBondContact O-N 3.43Å; L305-Q308 PolarHBondContact O-N 2.98Å; L305-Q308 VanDerWaalsContact O-N 3.15Å; E306-Q308 VanDerWaalsContact C-N 3.33Å; E306-Q308 PolarHBondContact O-N 3.06Å; Q308-S310 VanDerWaalsContact C-N 3.26Å; Q308-S310 PolarHBondContact O-N 3.24Å; Q308-F317 HydrophobicContact CB-CD2 4.11Å; Q308-F317 HydrophobicContact CB-CE2 3.78Å
309	Q	71.8	Confident	70.2	Confident	157 Å²	157	55.8 Å²	55.8	73%	0.734	29%	0.29	S	S	*	.	H	α-helix	trans	-68.2	-27.1	175.2	-70	176.7	-1.2	0	0	112.6	L305 E306 L307	L305-Q309 WeakPolarHBondContact O-CG 3.47Å; L305-Q309 PolarHBondContact O-N 2.9Å; E306-Q309 PolarHBondContact O-N 3.1Å; L307-Q309 VanDerWaalsContact C-N 3.34Å; L307-Q309 PolarHBondContact O-N 3.25Å
310	S	65.4	Low	69.8	Low	14 Å²	14	48.8 Å²	48.8	10%	0.098	27%	0.267	C	S	.	.	H	α-helix	trans	-93.9	-30.7	-177.9	68.2	0	0	0	0	114.7	E306 L307 Q308 A410 K417	E306-S310 PolarHBondContact O-N 3.13Å; E306-S310 VanDerWaalsContact O-N 3.15Å; E306-S310 PolarHBondContact O-OG 3.09Å; L307-S310 WeakPolarHBondContact CA-OG 3.11Å; L307-S310 PolarHBondContact O-N 3.07Å; L307-S310 VanDerWaalsContact O-N 3.12Å; L307-S310 PolarHBondContact O-OG 2.96Å; Q308-S310 VanDerWaalsContact C-N 3.26Å; Q308-S310 PolarHBondContact O-N 3.24Å; S310-A410 VanDerWaalsContact OG-CB 3.24Å; S310-A410 WeakPolarHBondContact OG-CB 3.31Å; S310-K417 PolarHBondContact O-NZ 3.39Å; S310-K417 VanDerWaalsContact O-NZ 3.08Å
311	A	65.4	Low	69.6	Low	28 Å²	28	48.3 Å²	48.3	23%	0.231	27%	0.265	C	S	.	.			trans	-68.8	133.6	-175.7	0	0	0	0	0	111.4	L307 F317	L307-A311 VanDerWaalsContact O-CB 3.29Å; L307-A311 WeakPolarHBondContact O-CB 3.21Å; L307-A311 PolarHBondContact O-N 3.39Å; A311-F317 HydrophobicContact CB-CB 4.09Å
312	G	62.2	Low	69.3	Low	57 Å²	57	51 Å²	51	59%	0.588	28%	0.277	S	S	*	.	S	Bend	trans	-79.3	-24.1	179.7	0	0	0	0	0	113.8	E316	G312-E316 PolarHBondContact N-OE2 3.34Å; G312-E316 VanDerWaalsContact N-OE2 3.17Å
313	S	68.1	Low	68.9	Low	56 Å²	56	47.6 Å²	47.6	39%	0.392	27%	0.266	S	S	.	.	S	Bend	trans	-143.9	159.4	-177.5	72.4	0	0	0	0	112.8	F315 E316 F317	S313-F315 PolarHBondContact O-N 2.97Å; S313-E316 PolarHBondContact O-N 3.2Å; S313-E316 WeakPolarHBondContact OG-CG 3.47Å; S313-E316 PolarHBondContact OG-N 3.43Å; S313-F317 PolarHBondContact O-N 3.16Å
314	S	69.1	Low	68.6	Low	40 Å²	40	46.9 Å²	46.9	28%	0.28	26%	0.259	S	S	.	.	H	α-helix	trans	-59.6	-31.7	173.8	-59.8	0	0	0	0	112.6	I318	S314-I318 WeakPolarHBondContact O-CG1 3.25Å; S314-I318 PolarHBondContact O-N 3.47Å; S314-I318 VanDerWaalsContact O-N 3.1Å
315	F	66.3	Low	68.1	Low	117 Å²	117	47.2 Å²	47.2	51%	0.513	26%	0.261	S	S	.	.	H	α-helix	trans	-71.1	-46.4	179.1	-172.1	-93.6	0	0	0	111.8	S313 F317 I318 E319	S313-F315 PolarHBondContact O-N 2.97Å; F315-F317 VanDerWaalsContact C-N 3.27Å; F315-F317 PolarHBondContact O-N 3.25Å; F315-I318 PolarHBondContact O-N 3.23Å; F315-I318 VanDerWaalsContact O-N 3.16Å; F315-E319 HydrophobicContact CD1-CG 4.25Å; F315-E319 HydrophobicContact CE1-CG 3.77Å; F315-E319 HydrophobicContact CZ-CG 4.04Å; F315-E319 PolarHBondContact O-N 2.92Å
316	E	66.5	Low	67.3	Low	48 Å²	48	50.4 Å²	50.4	22%	0.224	27%	0.272	C	S	.	.	H	α-helix	trans	-59.3	-41.7	173.9	-73.3	-163.6	131.8	0	0	111.7	G312 S313 I318 E319 S320 R413	G312-E316 PolarHBondContact N-OE2 3.34Å; G312-E316 VanDerWaalsContact N-OE2 3.17Å; S313-E316 PolarHBondContact O-N 3.2Å; S313-E316 WeakPolarHBondContact OG-CG 3.47Å; S313-E316 PolarHBondContact OG-N 3.43Å; E316-I318 VanDerWaalsContact C-N 3.32Å; E316-I318 PolarHBondContact O-N 3.35Å; E316-E319 PolarHBondContact O-N 3.24Å; E316-S320 WeakPolarHBondContact O-CB 3.39Å; E316-S320 PolarHBondContact O-N 3.18Å; E316-S320 PolarHBondContact O-OG 3.07Å; E316-R413 IonicContact OE1-CZ 2.74Å; E316-R413 IonicContact OE1-NH1 2.74Å; E316-R413 PolarHBondContact OE1-NH1 3.36Å; E316-R413 IonicContact OE1-NH2 2.65Å; E316-R413 IonicContact OE2-NH1 3.89Å
317	F	69.3	Low	66.7	Low	3 Å²	3	48 Å²	48	1%	0.013	26%	0.264	C	S	.	.	H	α-helix	trans	-55.8	-49	175	178.7	-105.2	0	0	0	110.5	R62 I65 M66 L304 L307 Q308 A311 S313 F315 S320 V321	R62-F317 HydrophobicContact CB-CD1 4.09Å; R62-F317 HydrophobicContact CB-CE1 4.18Å; R62-F317 HydrophobicContact CG-CD1 3.88Å; R62-F317 HydrophobicContact CG-CE1 3.92Å; I65-F317 HydrophobicContact CB-CE1 4.3Å; I65-F317 HydrophobicContact CB-CZ 4.29Å; I65-F317 HydrophobicContact CG1-CE1 4.35Å; I65-F317 HydrophobicContact CG2-CE1 4.45Å; I65-F317 HydrophobicContact CG2-CZ 3.94Å; M66-F317 HydrophobicContact CE-CE2 4.46Å; M66-F317 HydrophobicContact CE-CZ 3.99Å; L304-F317 WeakPolarHBondContact O-CE2 3.48Å; L307-F317 HydrophobicContact CB-CD2 4.42Å; L307-F317 HydrophobicContact CB-CE2 4.27Å; Q308-F317 HydrophobicContact CB-CD2 4.11Å; Q308-F317 HydrophobicContact CB-CE2 3.78Å; A311-F317 HydrophobicContact CB-CB 4.09Å; S313-F317 PolarHBondContact O-N 3.16Å; F315-F317 VanDerWaalsContact C-N 3.27Å; F315-F317 PolarHBondContact O-N 3.25Å; F317-S320 WeakPolarHBondContact O-CB 3.32Å; F317-S320 PolarHBondContact O-N 3Å; F317-S320 PolarHBondContact O-OG 2.88Å; F317-V321 HydrophobicContact CD1-CG2 4.14Å; F317-V321 HydrophobicContact CD2-CG2 4.23Å; F317-V321 HydrophobicContact CE1-CG2 3.74Å; F317-V321 HydrophobicContact CE2-CG2 3.83Å; F317-V321 HydrophobicContact CG-CG2 4.38Å; F317-V321 HydrophobicContact CZ-CG2 3.59Å; F317-V321 WeakPolarHBondContact O-CG2 3.5Å; F317-V321 PolarHBondContact O-N 2.92Å
318	I	68.5	Low	66.4	Low	13 Å²	13	54.1 Å²	54.1	7%	0.067	30%	0.297	C	S	.	.	H	α-helix	trans	-66.3	-43.1	-178.9	-73.6	-163.3	0	0	0	114.4	A58 F61 S314 F315 E316 S320 V321 K322	A58-I318 HydrophobicContact CB-CD1 3.52Å; A58-I318 HydrophobicContact CB-CG1 4.28Å; A58-I318 WeakPolarHBondContact O-CD1 3.49Å; F61-I318 HydrophobicContact CB-CD1 3.67Å; F61-I318 HydrophobicContact CD1-CD1 3.6Å; F61-I318 HydrophobicContact CD1-CG1 3.64Å; F61-I318 HydrophobicContact CE1-CG1 4.25Å; F61-I318 HydrophobicContact CG-CD1 3.88Å; F61-I318 HydrophobicContact CG-CG1 4.41Å; S314-I318 WeakPolarHBondContact O-CG1 3.25Å; S314-I318 PolarHBondContact O-N 3.47Å; S314-I318 VanDerWaalsContact O-N 3.1Å; F315-I318 PolarHBondContact O-N 3.23Å; F315-I318 VanDerWaalsContact O-N 3.16Å; E316-I318 VanDerWaalsContact C-N 3.32Å; E316-I318 PolarHBondContact O-N 3.35Å; I318-S320 PolarHBondContact O-N 3.48Å; I318-V321 PolarHBondContact O-N 3.34Å; I318-K322 HydrophobicContact CG2-CD 3.85Å; I318-K322 VanDerWaalsContact CG2-CE 3.46Å; I318-K322 HydrophobicContact CG2-CG 4.07Å; I318-K322 WeakPolarHBondContact O-CB 3.43Å; I318-K322 WeakPolarHBondContact O-CG 3.3Å; I318-K322 PolarHBondContact O-N 2.87Å
319	E	66.4	Low	66.8	Low	75 Å²	75	53.1 Å²	53.1	35%	0.35	29%	0.292	S	S	.	.	H	α-helix	trans	-62.8	-34.9	177.8	-70.4	-62	123.8	0	0	110.3	F315 E316 K322 S323	F315-E319 HydrophobicContact CD1-CG 4.25Å; F315-E319 HydrophobicContact CE1-CG 3.77Å; F315-E319 HydrophobicContact CZ-CG 4.04Å; F315-E319 PolarHBondContact O-N 2.92Å; E316-E319 PolarHBondContact O-N 3.24Å; E319-K322 IonicContact OE1-NZ 2.69Å; E319-K322 PolarHBondContact OE1-NZ 3.23Å; E319-S323 WeakPolarHBondContact O-CB 3.44Å; E319-S323 PolarHBondContact O-N 3.27Å
320	S	68.7	Low	67.5	Low	22 Å²	22	46.3 Å²	46.3	15%	0.154	26%	0.261	C	S	.	.	H	α-helix	trans	-65.8	-46.2	172	78.9	0	0	0	0	112.8	E316 F317 I318 S323 D324	E316-S320 WeakPolarHBondContact O-CB 3.39Å; E316-S320 PolarHBondContact O-N 3.18Å; E316-S320 PolarHBondContact O-OG 3.07Å; F317-S320 WeakPolarHBondContact O-CB 3.32Å; F317-S320 PolarHBondContact O-N 3Å; F317-S320 PolarHBondContact O-OG 2.88Å; I318-S320 PolarHBondContact O-N 3.48Å; S320-S323 WeakPolarHBondContact O-CB 3.4Å; S320-S323 PolarHBondContact O-N 3.02Å; S320-D324 PolarHBondContact O-N 2.91Å; S320-D324 VanDerWaalsContact O-N 3.08Å
321	V	70.8	Confident	68.6	Low	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-66.2	-41.3	179	178.7	0	0	0	0	111.3	F61 L304 F317 I318 S323 D324 L325	F61-V321 HydrophobicContact CE1-CB 3.94Å; F61-V321 HydrophobicContact CE1-CG1 3.63Å; F61-V321 HydrophobicContact CE1-CG2 4.44Å; F61-V321 HydrophobicContact CZ-CB 4.46Å; F61-V321 HydrophobicContact CZ-CG1 3.73Å; L304-V321 HydrophobicContact CD2-CB 4.28Å; L304-V321 HydrophobicContact CD2-CG1 3.94Å; L304-V321 HydrophobicContact CD2-CG2 3.55Å; F317-V321 HydrophobicContact CD1-CG2 4.14Å; F317-V321 HydrophobicContact CD2-CG2 4.23Å; F317-V321 HydrophobicContact CE1-CG2 3.74Å; F317-V321 HydrophobicContact CE2-CG2 3.83Å; F317-V321 HydrophobicContact CG-CG2 4.38Å; F317-V321 HydrophobicContact CZ-CG2 3.59Å; F317-V321 WeakPolarHBondContact O-CG2 3.5Å; F317-V321 PolarHBondContact O-N 2.92Å; I318-V321 PolarHBondContact O-N 3.34Å; V321-S323 VanDerWaalsContact C-N 3.33Å; V321-S323 PolarHBondContact O-N 3.15Å; V321-D324 CarbonylContact O-C 3.46Å; V321-D324 PolarHBondContact O-N 3.12Å; V321-D324 VanDerWaalsContact O-N 3.13Å; V321-L325 HydrophobicContact CG1-CD1 3.96Å; V321-L325 HydrophobicContact CG1-CG 4.11Å; V321-L325 VanDerWaalsContact O-CG 3.27Å; V321-L325 WeakPolarHBondContact O-CG 3.41Å; V321-L325 PolarHBondContact O-N 3.36Å
322	K	66.5	Low	69.9	Low	68 Å²	68	46.2 Å²	46.2	30%	0.296	25%	0.253	S	S	.	.	H	α-helix	trans	-59.1	-46.4	174.1	-76.8	178.4	-178.4	171	0	110.6	I318 E319 D324 L325 F326	I318-K322 HydrophobicContact CG2-CD 3.85Å; I318-K322 VanDerWaalsContact CG2-CE 3.46Å; I318-K322 HydrophobicContact CG2-CG 4.07Å; I318-K322 WeakPolarHBondContact O-CB 3.43Å; I318-K322 WeakPolarHBondContact O-CG 3.3Å; I318-K322 PolarHBondContact O-N 2.87Å; E319-K322 IonicContact OE1-NZ 2.69Å; E319-K322 PolarHBondContact OE1-NZ 3.23Å; K322-D324 PolarHBondContact O-N 3.5Å; K322-L325 PolarHBondContact O-N 2.81Å; K322-L325 VanDerWaalsContact O-N 3.13Å; K322-F326 WeakPolarHBondContact O-CD2 3.33Å; K322-F326 PolarHBondContact O-N 3.41Å
323	S	66	Low	71.3	Confident	47 Å²	47	46.5 Å²	46.5	33%	0.329	24%	0.238	S	C	.	.	H	α-helix	trans	-56.4	-38.2	175.9	-170.4	0	0	0	0	112.1	E319 S320 V321 P327	E319-S323 WeakPolarHBondContact O-CB 3.44Å; E319-S323 PolarHBondContact O-N 3.27Å; S320-S323 WeakPolarHBondContact O-CB 3.4Å; S320-S323 PolarHBondContact O-N 3.02Å; V321-S323 VanDerWaalsContact C-N 3.33Å; V321-S323 PolarHBondContact O-N 3.15Å; S323-P327 WeakPolarHBondContact O-CD 3.16Å
324	D	67.9	Low	72.5	Confident	23 Å²	23	44.7 Å²	44.7	12%	0.123	22%	0.224	C	C	.	.	H	α-helix	trans	-79.9	-21.3	178.9	-75.1	-4.4	0	0	0	114.2	S320 V321 K322 F326 P327 S406	S320-D324 PolarHBondContact O-N 2.91Å; S320-D324 VanDerWaalsContact O-N 3.08Å; V321-D324 CarbonylContact O-C 3.46Å; V321-D324 PolarHBondContact O-N 3.12Å; V321-D324 VanDerWaalsContact O-N 3.13Å; K322-D324 PolarHBondContact O-N 3.5Å; D324-F326 VanDerWaalsContact C-N 3.35Å; D324-P327 VanDerWaalsContact C-CD 3.48Å; D324-P327 WeakPolarHBondContact O-CD 2.94Å; D324-S406 PolarHBondContact OD1-OG 2.84Å; D324-S406 VanDerWaalsContact OD1-OG 3.05Å; D324-S406 WeakPolarHBondContact OD2-CB 3.49Å; D324-S406 PolarHBondContact OD2-OG 2.89Å
325	L	64.5	Low	73.6	Confident	8 Å²	8	47 Å²	47	4%	0.042	24%	0.239	C	C	.	.	H	α-helix	trans	-76.2	-23.3	173.9	-74.9	172.7	0	0	0	112.8	F61 P110 L111 R114 W300 V321 K322 P327	F61-L325 HydrophobicContact CZ-CD1 4.1Å; P110-L325 HydrophobicContact CB-CB 4.18Å; L111-L325 HydrophobicContact CD2-CD1 4.3Å; L111-L325 HydrophobicContact CD2-CD2 3.74Å; L111-L325 HydrophobicContact CG-CD1 4.5Å; L111-L325 HydrophobicContact CG-CD2 4.31Å; R114-L325 HydrophobicContact CB-CD2 4.38Å; W300-L325 HydrophobicContact CH2-CD2 3.98Å; W300-L325 HydrophobicContact CZ2-CD2 3.55Å; W300-L325 HydrophobicContact CZ2-CG 4.47Å; V321-L325 HydrophobicContact CG1-CD1 3.96Å; V321-L325 HydrophobicContact CG1-CG 4.11Å; V321-L325 VanDerWaalsContact O-CG 3.27Å; V321-L325 WeakPolarHBondContact O-CG 3.41Å; V321-L325 PolarHBondContact O-N 3.36Å; K322-L325 PolarHBondContact O-N 2.81Å; K322-L325 VanDerWaalsContact O-N 3.13Å; L325-P327 VanDerWaalsContact C-CD 3.48Å
326	F	56.7	Low	74.7	Confident	118 Å²	118	48.3 Å²	48.3	52%	0.518	25%	0.246	S	C	.	.	S	Bend	trans	-120.2	25	-172.2	-65.5	-73.1	0	0	0	117.5	E106 P110 K322 D324 D328	E106-F326 WeakPolarHBondContact O-CZ 3.36Å; P110-F326 HydrophobicContact CB-CE1 3.91Å; P110-F326 HydrophobicContact CB-CE2 4.47Å; P110-F326 HydrophobicContact CB-CZ 3.88Å; P110-F326 HydrophobicContact CG-CD1 4.34Å; P110-F326 HydrophobicContact CG-CE1 3.32Å; P110-F326 HydrophobicContact CG-CE2 4.16Å; P110-F326 HydrophobicContact CG-CZ 3.21Å; K322-F326 WeakPolarHBondContact O-CD2 3.33Å; K322-F326 PolarHBondContact O-N 3.41Å; D324-F326 VanDerWaalsContact C-N 3.35Å; F326-D328 PolarHBondContact O-N 3.43Å
327	P	59.4	Low	75.6	Confident	35 Å²	35	48.3 Å²	48.3	23%	0.227	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-76.5	124.3	178.2	29.4	-30.1	0	0	0	110.1	S323 D324 L325 E329 P343	S323-P327 WeakPolarHBondContact O-CD 3.16Å; D324-P327 VanDerWaalsContact C-CD 3.48Å; D324-P327 WeakPolarHBondContact O-CD 2.94Å; L325-P327 VanDerWaalsContact C-CD 3.48Å; P327-E329 HydrophobicContact CB-CG 4.19Å; P327-E329 HydrophobicContact CG-CG 4.11Å; P327-E329 PolarHBondContact O-N 2.98Å; P327-P343 HydrophobicContact CB-CB 3.84Å
328	D	67	Low	76.6	Confident	137 Å²	137	56 Å²	56	73%	0.733	29%	0.288	S	S	*	.	P	Polyproline II helix	trans	-55.2	127.3	138.8	-76.4	-39.1	0	0	0	105.4	F326 A344	F326-D328 PolarHBondContact O-N 3.43Å; D328-A344 HydrophobicContact CB-CB 3.73Å; D328-A344 WeakPolarHBondContact O-CA 3.25Å; D328-A344 WeakPolarHBondContact O-CB 3.27Å; D328-A344 PolarHBondContact O-N 2.68Å
329	E	77.2	Confident	77.4	Confident	49 Å²	49	58.7 Å²	58.7	23%	0.229	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	145.8	-176.3	-70	170.6	172.9	0	0	110.3	R114 A242 P327 L342	R114-E329 IonicContact NH1-OE1 2.8Å; R114-E329 PolarHBondContact NH1-OE1 3.06Å; A242-E329 WeakPolarHBondContact CB-OE1 2.99Å; A242-E329 WeakPolarHBondContact CB-OE2 3.48Å; P327-E329 HydrophobicContact CB-CG 4.19Å; P327-E329 HydrophobicContact CG-CG 4.11Å; P327-E329 PolarHBondContact O-N 2.98Å; E329-L342 CarbonylContact C-O 3.51Å; E329-L342 WeakPolarHBondContact CA-O 3.27Å
330	I	86	Confident	78.5	Confident	15 Å²	15	56.2 Å²	56.2	8%	0.077	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	148.2	165.9	65.1	172.7	0	0	0	109.7	V332 L342 A344 A346 L379 S381	I330-V332 HydrophobicContact CD1-CG1 4.26Å; I330-L342 HydrophobicContact CD1-CB 4.32Å; I330-L342 HydrophobicContact CG1-CB 3.82Å; I330-L342 PolarHBondContact N-O 2.96Å; I330-L342 PolarHBondContact O-N 3.27Å; I330-A344 HydrophobicContact CG2-CB 4.31Å; I330-A346 HydrophobicContact CD1-CB 4.21Å; I330-L379 HydrophobicContact CD1-CB 3.64Å; I330-L379 WeakPolarHBondContact CD1-O 3.45Å; I330-S381 VanDerWaalsContact CA-OG 3.23Å; I330-S381 WeakPolarHBondContact CA-OG 3.47Å; I330-S381 WeakPolarHBondContact CB-OG 3.35Å
331	Y	88.4	Confident	79.3	Confident	40 Å²	40	58.6 Å²	58.6	16%	0.157	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	115	179.3	-60.6	-89.9	0	0	0	108.4	I239 I339 E341 S381 G382	I239-Y331 HydrophobicContact CG2-CD1 3.77Å; I239-Y331 HydrophobicContact CG2-CE1 3.8Å; I239-Y331 HydrophobicContact CG2-CG 4.43Å; Y331-I339 HydrophobicContact CD1-CG2 3.94Å; Y331-I339 HydrophobicContact CG-CG2 4.49Å; Y331-E341 HydrophobicContact CD1-CG 3.88Å; Y331-E341 HydrophobicContact CE1-CG 3.7Å; Y331-S381 PolarHBondContact N-OG 3.34Å; Y331-S381 CarbonylContact O-C 3.53Å; Y331-S381 VanDerWaalsContact O-CA 3.27Å; Y331-S381 WeakPolarHBondContact O-CA 3.36Å; Y331-G382 PolarHBondContact O-N 3.36Å
332	V	91.9	Very high	80.1	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	153	-179.9	-62.8	0	0	0	0	110.4	I330 I339 V340 L342 F351 L379 Q383 V385	I330-V332 HydrophobicContact CD1-CG1 4.26Å; V332-I339 CarbonylContact O-C 3.55Å; V332-I339 WeakPolarHBondContact O-CA 3.12Å; V332-V340 HydrophobicContact CG2-CB 4.19Å; V332-V340 PolarHBondContact N-O 2.97Å; V332-V340 PolarHBondContact O-N 3.18Å; V332-L342 HydrophobicContact CG2-CD1 3.68Å; V332-L342 HydrophobicContact CG2-CG 4.31Å; V332-F351 HydrophobicContact CG2-CD2 3.42Å; V332-F351 VanDerWaalsContact CG2-CD2 3.42Å; V332-F351 HydrophobicContact CG2-CE2 3.69Å; V332-F351 HydrophobicContact CG2-CG 4.48Å; V332-L379 HydrophobicContact CG1-CB 4.23Å; V332-L379 HydrophobicContact CG1-CD1 4.31Å; V332-Q383 WeakPolarHBondContact CA-O 3.46Å; V332-V385 HydrophobicContact CB-CG2 4.08Å; V332-V385 HydrophobicContact CG1-CG2 4.42Å; V332-V385 HydrophobicContact CG2-CG2 4.4Å
333	F	92.7	Very high	80.9	Confident	63 Å²	63	56.6 Å²	56.6	28%	0.276	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	140.3	-179.4	-64.1	-83.7	0	0	0	111.1	R338 I339 G382 Q383 T384 V385	F333-R338 CarbonylContact C-O 3.57Å; F333-R338 WeakPolarHBondContact CA-O 3.42Å; F333-I339 HydrophobicContact CD1-CG1 3.72Å; F333-I339 HydrophobicContact CE1-CD1 3.92Å; F333-I339 HydrophobicContact CE1-CG1 3.43Å; F333-I339 VanDerWaalsContact CE1-CG1 3.43Å; F333-I339 HydrophobicContact CZ-CG1 4.28Å; F333-G382 WeakPolarHBondContact CD2-O 3.39Å; F333-Q383 PolarHBondContact N-O 3.07Å; F333-T384 HydrophobicContact CB-CG2 4.45Å; F333-T384 CarbonylContact O-C 3.56Å; F333-T384 WeakPolarHBondContact O-CA 3.36Å; F333-V385 PolarHBondContact O-N 2.88Å
334	T	93.3	Very high	81.8	Confident	17 Å²	17	56.6 Å²	56.6	10%	0.104	30%	0.297	C	S	.	.			trans	-73.5	163.3	160.7	63	0	0	0	0	109.7	E336 G337 R338 V340 F351	T334-E336 PolarHBondContact O-N 3.26Å; T334-E336 VanDerWaalsContact O-N 3.16Å; T334-G337 PolarHBondContact O-N 3.49Å; T334-G337 PolarHBondContact OG1-N 3.41Å; T334-R338 HydrophobicContact CG2-CB 4.11Å; T334-R338 PolarHBondContact N-O 3.29Å; T334-R338 WeakPolarHBondContact OG1-CA 3.4Å; T334-R338 VanDerWaalsContact OG1-CB 3.31Å; T334-R338 WeakPolarHBondContact OG1-CB 3.39Å; T334-R338 PolarHBondContact OG1-N 2.94Å; T334-R338 PolarHBondContact OG1-O 2.88Å; T334-V340 HydrophobicContact CG2-CG2 3.79Å; T334-F351 HydrophobicContact CG2-CE2 4.29Å; T334-F351 HydrophobicContact CG2-CZ 3.9Å
335	P	91	Very high	82.5	Confident	90 Å²	90	57 Å²	57	58%	0.584	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-24.5	175.2	-23.5	36.4	0	0	0	113.4	G337 V385 E386	P335-G337 VanDerWaalsContact C-N 3.27Å; P335-G337 PolarHBondContact O-N 3.5Å; P335-V385 WeakPolarHBondContact CD-O 3.48Å; P335-E386 HydrophobicContact CG-CB 3.98Å; P335-E386 HydrophobicContact CG-CG 4.27Å
336	E	90.6	Very high	83.7	Confident	143 Å²	143	56.6 Å²	56.6	67%	0.668	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-1.2	173.9	-63.4	-179.3	-171.4	0	0	113.6	T334 R338	T334-E336 PolarHBondContact O-N 3.26Å; T334-E336 VanDerWaalsContact O-N 3.16Å; E336-R338 IonicContact OE2-CZ 2.79Å; E336-R338 VanDerWaalsContact OE2-CZ 3.25Å; E336-R338 IonicContact OE2-NE 2.66Å; E336-R338 PolarHBondContact OE2-NE 2.92Å; E336-R338 IonicContact OE2-NH2 3.17Å; E336-R338 PolarHBondContact OE2-NH2 3.36Å
337	G	85.5	Confident	85.4	Confident	48 Å²	48	51 Å²	51	50%	0.495	28%	0.28	S	S	.	.	S	Bend	trans	83.9	2.3	-179.1	0	0	0	0	0	115.1	T334 P335	T334-G337 PolarHBondContact O-N 3.49Å; T334-G337 PolarHBondContact OG1-N 3.41Å; P335-G337 VanDerWaalsContact C-N 3.27Å; P335-G337 PolarHBondContact O-N 3.5Å
338	R	88.9	Confident	87.1	Confident	166 Å²	166	49.4 Å²	49.4	63%	0.626	27%	0.269	S	S	*	.			trans	-68.6	139.3	171.7	-52.5	-179.5	-164.3	-170.2	6.3	110.4	F333 T334 E336	F333-R338 CarbonylContact C-O 3.57Å; F333-R338 WeakPolarHBondContact CA-O 3.42Å; T334-R338 HydrophobicContact CG2-CB 4.11Å; T334-R338 PolarHBondContact N-O 3.29Å; T334-R338 WeakPolarHBondContact OG1-CA 3.4Å; T334-R338 VanDerWaalsContact OG1-CB 3.31Å; T334-R338 WeakPolarHBondContact OG1-CB 3.39Å; T334-R338 PolarHBondContact OG1-N 2.94Å; T334-R338 PolarHBondContact OG1-O 2.88Å; E336-R338 IonicContact OE2-CZ 2.79Å; E336-R338 VanDerWaalsContact OE2-CZ 3.25Å; E336-R338 IonicContact OE2-NE 2.66Å; E336-R338 PolarHBondContact OE2-NE 2.92Å; E336-R338 IonicContact OE2-NH2 3.17Å; E336-R338 PolarHBondContact OE2-NH2 3.36Å
339	I	87.1	Confident	88.4	Confident	68 Å²	68	42.9 Å²	42.9	35%	0.349	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	133.3	177.7	-62	166.3	0	0	0	109.9	I239 Y331 V332 F333	I239-I339 HydrophobicContact CD1-CD1 3.7Å; I239-I339 HydrophobicContact CG1-CD1 3.76Å; I239-I339 HydrophobicContact CG2-CD1 4.36Å; Y331-I339 HydrophobicContact CD1-CG2 3.94Å; Y331-I339 HydrophobicContact CG-CG2 4.49Å; V332-I339 CarbonylContact O-C 3.55Å; V332-I339 WeakPolarHBondContact O-CA 3.12Å; F333-I339 HydrophobicContact CD1-CG1 3.72Å; F333-I339 HydrophobicContact CE1-CD1 3.92Å; F333-I339 HydrophobicContact CE1-CG1 3.43Å; F333-I339 VanDerWaalsContact CE1-CG1 3.43Å; F333-I339 HydrophobicContact CZ-CG1 4.28Å
340	V	88.5	Confident	89.1	Confident	24 Å²	24	40.5 Å²	40.5	15%	0.145	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	127.2	173.2	-177.1	0	0	0	0	109	V332 T334 L342 F351 A354	V332-V340 HydrophobicContact CG2-CB 4.19Å; V332-V340 PolarHBondContact N-O 2.97Å; V332-V340 PolarHBondContact O-N 3.18Å; T334-V340 HydrophobicContact CG2-CG2 3.79Å; V340-L342 HydrophobicContact CG1-CD2 4.22Å; V340-L342 HydrophobicContact CG1-CG 4.3Å; V340-F351 HydrophobicContact CB-CD2 4.1Å; V340-F351 HydrophobicContact CB-CE2 3.81Å; V340-F351 HydrophobicContact CG1-CD2 4.15Å; V340-F351 HydrophobicContact CG1-CE2 4.28Å; V340-F351 HydrophobicContact CG2-CD2 4.36Å; V340-F351 HydrophobicContact CG2-CE2 3.67Å; V340-F351 HydrophobicContact CG2-CZ 4.47Å; V340-A354 HydrophobicContact CG1-CB 3.83Å
341	E	86	Confident	89.6	Confident	71 Å²	71	40 Å²	40	33%	0.332	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	127.7	177.5	-54.6	-178.7	175	0	0	109.3	R296 Y331	R296-E341 IonicContact CZ-OE1 2.75Å; R296-E341 IonicContact NH1-OE1 3.51Å; R296-E341 PolarHBondContact NH1-OE1 3.49Å; R296-E341 IonicContact NH1-OE2 3.05Å; R296-E341 IonicContact NH2-OE1 2.97Å; Y331-E341 HydrophobicContact CD1-CG 3.88Å; Y331-E341 HydrophobicContact CE1-CG 3.7Å
342	L	87	Confident	89.9	Confident	6 Å²	6	38.1 Å²	38.1	3%	0.031	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	155.3	179.7	-64.5	175.4	0	0	0	111	E329 I330 V332 V340 A346 F351 A354 L379	E329-L342 CarbonylContact C-O 3.51Å; E329-L342 WeakPolarHBondContact CA-O 3.27Å; I330-L342 HydrophobicContact CD1-CB 4.32Å; I330-L342 HydrophobicContact CG1-CB 3.82Å; I330-L342 PolarHBondContact N-O 2.96Å; I330-L342 PolarHBondContact O-N 3.27Å; V332-L342 HydrophobicContact CG2-CD1 3.68Å; V332-L342 HydrophobicContact CG2-CG 4.31Å; V340-L342 HydrophobicContact CG1-CD2 4.22Å; V340-L342 HydrophobicContact CG1-CG 4.3Å; L342-A346 HydrophobicContact CB-CB 3.73Å; L342-A346 HydrophobicContact CD1-CB 4.07Å; L342-A346 HydrophobicContact CG-CB 4.41Å; L342-F351 HydrophobicContact CD1-CB 3.8Å; L342-F351 HydrophobicContact CD1-CD2 4.12Å; L342-F351 HydrophobicContact CD1-CG 4.47Å; L342-A354 HydrophobicContact CD2-CB 3.5Å; L342-A354 VanDerWaalsContact CD2-CB 3.5Å; L342-L379 HydrophobicContact CD1-CD1 3.95Å
343	P	83.5	Confident	89.9	Confident	21 Å²	21	38.1 Å²	38.1	14%	0.136	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	148.6	171.7	27.7	-33.5	0	0	0	111.3	P327 G345 A346 V404	P327-P343 HydrophobicContact CB-CB 3.84Å; P343-G345 PolarHBondContact O-N 2.8Å; P343-A346 HydrophobicContact CG-CB 4.21Å; P343-A346 WeakPolarHBondContact O-CB 3.48Å; P343-A346 PolarHBondContact O-N 2.85Å; P343-V404 HydrophobicContact CB-CG1 4.31Å; P343-V404 HydrophobicContact CG-CG1 4.15Å
344	A	83.9	Confident	89.8	Confident	47 Å²	47	36.8 Å²	36.8	39%	0.388	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	134.3	176.3	0	0	0	0	0	110.6	D328 I330 A346	D328-A344 HydrophobicContact CB-CB 3.73Å; D328-A344 WeakPolarHBondContact O-CA 3.25Å; D328-A344 WeakPolarHBondContact O-CB 3.27Å; D328-A344 PolarHBondContact O-N 2.68Å; I330-A344 HydrophobicContact CG2-CB 4.31Å; A344-A346 VanDerWaalsContact C-N 3.32Å
345	G	84.4	Confident	89.7	Confident	30 Å²	30	39.1 Å²	39.1	31%	0.309	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.8	-5.1	-171.6	0	0	0	0	0	114	P343 V404	P343-G345 PolarHBondContact O-N 2.8Å; G345-V404 VanDerWaalsContact O-CG2 3.27Å; G345-V404 WeakPolarHBondContact O-CG2 3.3Å
346	A	89.7	Confident	89.7	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.22	C	C	.	.			trans	-55.1	145	175.5	0	0	0	0	0	112.2	I330 L342 P343 A344 D350 L379	I330-A346 HydrophobicContact CD1-CB 4.21Å; L342-A346 HydrophobicContact CB-CB 3.73Å; L342-A346 HydrophobicContact CD1-CB 4.07Å; L342-A346 HydrophobicContact CG-CB 4.41Å; P343-A346 HydrophobicContact CG-CB 4.21Å; P343-A346 WeakPolarHBondContact O-CB 3.48Å; P343-A346 PolarHBondContact O-N 2.85Å; A344-A346 VanDerWaalsContact C-N 3.32Å; A346-D350 HydrophobicContact CB-CB 3.8Å; A346-L379 WeakPolarHBondContact O-CB 3.44Å; A346-L379 PolarHBondContact O-N 2.93Å
347	T	92.1	Very high	89.7	Confident	2 Å²	2	33.9 Å²	33.9	1%	0.012	20%	0.198	C	C	.	.			trans	-104	170.2	-177.9	63.5	0	0	0	0	111.3	V349 D350 F351 L375 F402	T347-V349 PolarHBondContact O-N 3.04Å; T347-V349 VanDerWaalsContact O-N 3.15Å; T347-D350 PolarHBondContact N-OD2 3.43Å; T347-D350 WeakPolarHBondContact O-CB 3.44Å; T347-D350 PolarHBondContact O-N 3.24Å; T347-D350 PolarHBondContact OG1-OD2 3.26Å; T347-F351 PolarHBondContact O-N 3.15Å; T347-F351 VanDerWaalsContact O-N 3.09Å; T347-L375 VanDerWaalsContact CB-O 3.29Å; T347-L375 WeakPolarHBondContact CB-O 3.48Å; T347-F402 HydrophobicContact CG2-CD2 3.88Å
348	P	94.4	Very high	89.9	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-54.7	-29.8	171.8	-25.1	31	0	0	0	114	F351 A352 A366 Y373 L375 Q377 L379 I387	P348-F351 WeakPolarHBondContact O-CB 3.44Å; P348-F351 PolarHBondContact O-N 3.42Å; P348-A352 PolarHBondContact O-N 3.41Å; P348-A366 HydrophobicContact CB-CB 3.4Å; P348-A366 VanDerWaalsContact CB-CB 3.4Å; P348-A366 HydrophobicContact CG-CB 3.9Å; P348-Y373 HydrophobicContact CG-CD1 3.64Å; P348-Y373 HydrophobicContact CG-CE1 4.08Å; P348-L375 HydrophobicContact CB-CD2 4.03Å; P348-Q377 VanDerWaalsContact CD-O 3.28Å; P348-Q377 WeakPolarHBondContact CD-O 3.37Å; P348-L379 HydrophobicContact CG-CD2 4.12Å; P348-L379 HydrophobicContact CG-CG 4.5Å; P348-I387 HydrophobicContact CB-CD1 4.14Å; P348-I387 VanDerWaalsContact O-CD1 3.32Å; P348-I387 WeakPolarHBondContact O-CD1 3.41Å
349	V	94.1	Very high	90	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-67.2	-41.4	175	179.5	0	0	0	0	110.9	T347 F351 A352 Y353 L375 W399 F402 V403	T347-V349 PolarHBondContact O-N 3.04Å; T347-V349 VanDerWaalsContact O-N 3.15Å; V349-F351 VanDerWaalsContact C-N 3.3Å; V349-F351 PolarHBondContact O-N 2.95Å; V349-A352 WeakPolarHBondContact O-CB 3.36Å; V349-A352 PolarHBondContact O-N 2.82Å; V349-Y353 HydrophobicContact CG1-CD2 3.89Å; V349-Y353 HydrophobicContact CG1-CE2 3.77Å; V349-Y353 VanDerWaalsContact O-CD2 3.29Å; V349-Y353 WeakPolarHBondContact O-CD2 3.19Å; V349-Y353 PolarHBondContact O-N 3.26Å; V349-Y353 VanDerWaalsContact O-N 3.11Å; V349-L375 HydrophobicContact CG2-CB 3.94Å; V349-L375 HydrophobicContact CG2-CD1 4.25Å; V349-L375 HydrophobicContact CG2-CD2 4Å; V349-L375 HydrophobicContact CG2-CG 4.29Å; V349-W399 HydrophobicContact CG1-CD2 4.06Å; V349-W399 HydrophobicContact CG1-CE3 3.6Å; V349-W399 HydrophobicContact CG1-CZ3 4.08Å; V349-W399 HydrophobicContact CG2-CD2 4.13Å; V349-W399 HydrophobicContact CG2-CE3 4.38Å; V349-W399 HydrophobicContact CG2-CG 4.43Å; V349-F402 HydrophobicContact CB-CE2 4.17Å; V349-F402 HydrophobicContact CG2-CE2 3.72Å; V349-F402 HydrophobicContact CG2-CZ 4.12Å; V349-V403 HydrophobicContact CB-CG1 3.82Å; V349-V403 HydrophobicContact CG1-CG1 3.51Å
350	D	93.2	Very high	90.2	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-60.5	-41.8	173.8	-64.5	-68.6	0	0	0	111.5	A346 T347 Y353 A354 V404 S405	A346-D350 HydrophobicContact CB-CB 3.8Å; T347-D350 PolarHBondContact N-OD2 3.43Å; T347-D350 WeakPolarHBondContact O-CB 3.44Å; T347-D350 PolarHBondContact O-N 3.24Å; T347-D350 PolarHBondContact OG1-OD2 3.26Å; D350-Y353 PolarHBondContact O-N 3.12Å; D350-A354 WeakPolarHBondContact O-CB 3.46Å; D350-A354 PolarHBondContact O-N 3.15Å; D350-V404 PolarHBondContact OD1-N 3.03Å; D350-V404 PolarHBondContact OD2-N 3.32Å; D350-S405 VanDerWaalsContact OD1-CB 3.27Å; D350-S405 WeakPolarHBondContact OD1-CB 3.43Å; D350-S405 PolarHBondContact OD1-N 2.97Å; D350-S405 PolarHBondContact OD1-OG 3.46Å
351	F	94.9	Very high	90.3	Very high	5 Å²	5	28.9 Å²	28.9	2%	0.022	17%	0.17	C	C	.	.	H	α-helix	trans	-60.2	-45.8	173.1	177.2	-99.3	0	0	0	112	V332 T334 V340 L342 T347 P348 V349 Y353 A354 V355 L379 V385 I387	V332-F351 HydrophobicContact CG2-CD2 3.42Å; V332-F351 VanDerWaalsContact CG2-CD2 3.42Å; V332-F351 HydrophobicContact CG2-CE2 3.69Å; V332-F351 HydrophobicContact CG2-CG 4.48Å; T334-F351 HydrophobicContact CG2-CE2 4.29Å; T334-F351 HydrophobicContact CG2-CZ 3.9Å; V340-F351 HydrophobicContact CB-CD2 4.1Å; V340-F351 HydrophobicContact CB-CE2 3.81Å; V340-F351 HydrophobicContact CG1-CD2 4.15Å; V340-F351 HydrophobicContact CG1-CE2 4.28Å; V340-F351 HydrophobicContact CG2-CD2 4.36Å; V340-F351 HydrophobicContact CG2-CE2 3.67Å; V340-F351 HydrophobicContact CG2-CZ 4.47Å; L342-F351 HydrophobicContact CD1-CB 3.8Å; L342-F351 HydrophobicContact CD1-CD2 4.12Å; L342-F351 HydrophobicContact CD1-CG 4.47Å; T347-F351 PolarHBondContact O-N 3.15Å; T347-F351 VanDerWaalsContact O-N 3.09Å; P348-F351 WeakPolarHBondContact O-CB 3.44Å; P348-F351 PolarHBondContact O-N 3.42Å; V349-F351 VanDerWaalsContact C-N 3.3Å; V349-F351 PolarHBondContact O-N 2.95Å; F351-Y353 VanDerWaalsContact C-N 3.34Å; F351-Y353 PolarHBondContact O-N 3.5Å; F351-A354 WeakPolarHBondContact O-CB 3.47Å; F351-A354 PolarHBondContact O-N 3.48Å; F351-A354 VanDerWaalsContact O-N 3.08Å; F351-V355 HydrophobicContact CD1-CG2 4.2Å; F351-V355 HydrophobicContact CD2-CG2 4.42Å; F351-V355 HydrophobicContact CE1-CG2 3.82Å; F351-V355 HydrophobicContact CE2-CG2 4.07Å; F351-V355 HydrophobicContact CZ-CG2 3.78Å; F351-V355 WeakPolarHBondContact O-CG2 3.24Å; F351-V355 PolarHBondContact O-N 3.47Å; F351-L379 HydrophobicContact CB-CD1 4.06Å; F351-V385 HydrophobicContact CB-CG1 4.32Å; F351-V385 HydrophobicContact CD1-CB 3.78Å; F351-V385 HydrophobicContact CD1-CG1 3.4Å; F351-V385 VanDerWaalsContact CD1-CG1 3.4Å; F351-V385 HydrophobicContact CD2-CB 4.34Å; F351-V385 HydrophobicContact CE1-CB 3.69Å; F351-V385 HydrophobicContact CE1-CG1 3.71Å; F351-V385 WeakPolarHBondContact CE1-O 3.47Å; F351-V385 HydrophobicContact CE2-CB 4.24Å; F351-V385 HydrophobicContact CG-CB 4.08Å; F351-V385 HydrophobicContact CG-CG1 3.89Å; F351-V385 HydrophobicContact CZ-CB 3.91Å; F351-V385 HydrophobicContact CZ-CG1 4.42Å; F351-I387 HydrophobicContact CD1-CD1 3.89Å; F351-I387 HydrophobicContact CD1-CG1 3.68Å; F351-I387 HydrophobicContact CE1-CG1 3.99Å
352	A	95.3	Very high	90.6	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-55.8	-47.7	178.5	0	0	0	0	0	111.9	P348 V349 A354 V355 H356 I359 C363 I387	P348-A352 PolarHBondContact O-N 3.41Å; V349-A352 WeakPolarHBondContact O-CB 3.36Å; V349-A352 PolarHBondContact O-N 2.82Å; A352-A354 VanDerWaalsContact C-N 3.35Å; A352-A354 PolarHBondContact O-N 2.83Å; A352-V355 PolarHBondContact O-N 3.13Å; A352-H356 PolarHBondContact O-N 2.84Å; A352-I359 HydrophobicContact CB-CG2 4.14Å; A352-C363 HydrophobicContact CB-CB 4.39Å; A352-I387 HydrophobicContact CB-CD1 4.05Å; A352-I387 HydrophobicContact CB-CG1 3.92Å; A352-I387 HydrophobicContact CB-CG2 4.11Å
353	Y	92.6	Very high	90.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-69.9	-27.7	176.4	-79.9	-75.6	0	0	0	114	V349 D350 F351 T357 H361 P395 W399 K407 A408 K411 I412	V349-Y353 HydrophobicContact CG1-CD2 3.89Å; V349-Y353 HydrophobicContact CG1-CE2 3.77Å; V349-Y353 VanDerWaalsContact O-CD2 3.29Å; V349-Y353 WeakPolarHBondContact O-CD2 3.19Å; V349-Y353 PolarHBondContact O-N 3.26Å; V349-Y353 VanDerWaalsContact O-N 3.11Å; D350-Y353 PolarHBondContact O-N 3.12Å; F351-Y353 VanDerWaalsContact C-N 3.34Å; F351-Y353 PolarHBondContact O-N 3.5Å; Y353-T357 HydrophobicContact CE1-CG2 4.46Å; Y353-H361 AromaticContact CE1-CD2 3.64Å; Y353-H361 AromaticContact CE1-NE2 3.87Å; Y353-H361 AromaticContact CZ-CD2 3.89Å; Y353-H361 PolarHBondContact OH-CD2 3.01Å; Y353-P395 VanDerWaalsContact OH-CG 3.29Å; Y353-P395 WeakPolarHBondContact OH-CG 3.3Å; Y353-W399 HydrophobicContact CE2-CZ3 4.5Å; Y353-K407 VanDerWaalsContact O-CE 3.31Å; Y353-K407 WeakPolarHBondContact O-CE 3.15Å; Y353-K407 PolarHBondContact O-NZ 3.28Å; Y353-A408 HydrophobicContact CD2-CB 3.52Å; Y353-A408 HydrophobicContact CE2-CB 4.25Å; Y353-A408 HydrophobicContact CG-CB 3.85Å; Y353-K411 HydrophobicContact CD1-CB 3.85Å; Y353-K411 HydrophobicContact CD1-CG 4.25Å; Y353-K411 HydrophobicContact CE1-CB 3.55Å; Y353-K411 HydrophobicContact CE1-CG 4.39Å; Y353-I412 HydrophobicContact CE2-CD1 3.86Å; Y353-I412 HydrophobicContact CE2-CG1 3.71Å; Y353-I412 WeakPolarHBondContact OH-CG1 3.33Å
354	A	90.6	Very high	91.2	Very high	35 Å²	35	29.1 Å²	29.1	29%	0.289	18%	0.178	S	C	.	.	H	α-helix	trans	-67.5	-42.6	173.1	0	0	0	0	0	111.3	V340 L342 D350 F351 A352	V340-A354 HydrophobicContact CG1-CB 3.83Å; L342-A354 HydrophobicContact CD2-CB 3.5Å; L342-A354 VanDerWaalsContact CD2-CB 3.5Å; D350-A354 WeakPolarHBondContact O-CB 3.46Å; D350-A354 PolarHBondContact O-N 3.15Å; F351-A354 WeakPolarHBondContact O-CB 3.47Å; F351-A354 PolarHBondContact O-N 3.48Å; F351-A354 VanDerWaalsContact O-N 3.08Å; A352-A354 VanDerWaalsContact C-N 3.35Å; A352-A354 PolarHBondContact O-N 2.83Å
355	V	91.6	Very high	91.5	Very high	65 Å²	65	27.6 Å²	27.6	39%	0.394	17%	0.167	S	C	.	.	H	α-helix	trans	-66.7	-56.3	176.4	-178.6	0	0	0	0	111	F351 A352 I359	F351-V355 HydrophobicContact CD1-CG2 4.2Å; F351-V355 HydrophobicContact CD2-CG2 4.42Å; F351-V355 HydrophobicContact CE1-CG2 3.82Å; F351-V355 HydrophobicContact CE2-CG2 4.07Å; F351-V355 HydrophobicContact CZ-CG2 3.78Å; F351-V355 WeakPolarHBondContact O-CG2 3.24Å; F351-V355 PolarHBondContact O-N 3.47Å; A352-V355 PolarHBondContact O-N 3.13Å; V355-I359 HydrophobicContact CB-CD1 4.25Å; V355-I359 HydrophobicContact CG1-CD1 3.56Å
356	H	90.7	Very high	92	Very high	93 Å²	93	26.5 Å²	26.5	43%	0.431	16%	0.155	S	C	.	.			trans	-161.3	146.1	176.7	-159.4	-98.7	0	0	0	111.7	A352 D358 I359 G360	A352-H356 PolarHBondContact O-N 2.84Å; H356-D358 VanDerWaalsContact C-N 3.31Å; H356-D358 IonicContact CE1-OD2 3Å; H356-D358 PolarHBondContact CE1-OD2 2.89Å; H356-D358 WeakPolarHBondContact ND1-CB 3.32Å; H356-D358 PolarHBondContact ND1-N 3.16Å; H356-D358 VanDerWaalsContact ND1-N 3.17Å; H356-D358 IonicContact ND1-OD2 3.14Å; H356-D358 PolarHBondContact ND1-OD2 2.99Å; H356-D358 PolarHBondContact O-N 3.2Å; H356-I359 HydrophobicContact CB-CB 4.21Å; H356-I359 HydrophobicContact CB-CD1 3.78Å; H356-I359 HydrophobicContact CB-CG1 3.92Å; H356-I359 PolarHBondContact O-N 3.45Å; H356-G360 PolarHBondContact O-N 2.84Å
357	T	89.1	Confident	92.2	Very high	31 Å²	31	31.5 Å²	31.5	19%	0.19	17%	0.174	C	C	.	.	H	α-helix	trans	-60.7	-39.6	177.7	-62.7	0	0	0	0	112.1	Y353 I359 G360 H361 K411	Y353-T357 HydrophobicContact CE1-CG2 4.46Å; T357-I359 VanDerWaalsContact C-N 3.34Å; T357-I359 PolarHBondContact O-N 2.84Å; T357-G360 PolarHBondContact O-N 3.39Å; T357-H361 VanDerWaalsContact CG2-CE1 3.45Å; T357-H361 WeakPolarHBondContact CG2-CE1 3.29Å; T357-H361 PolarHBondContact O-N 2.88Å; T357-K411 HydrophobicContact CG2-CB 4.36Å; T357-K411 HydrophobicContact CG2-CD 4.07Å; T357-K411 HydrophobicContact CG2-CG 4.14Å
358	D	89.7	Confident	92.3	Very high	101 Å²	101	31.6 Å²	31.6	54%	0.54	18%	0.175	S	C	.	.	H	α-helix	trans	-67.3	-33.2	177.6	-59.7	-29.4	0	0	0	113.2	H356 H361 A362	H356-D358 VanDerWaalsContact C-N 3.31Å; H356-D358 IonicContact CE1-OD2 3Å; H356-D358 PolarHBondContact CE1-OD2 2.89Å; H356-D358 WeakPolarHBondContact ND1-CB 3.32Å; H356-D358 PolarHBondContact ND1-N 3.16Å; H356-D358 VanDerWaalsContact ND1-N 3.17Å; H356-D358 IonicContact ND1-OD2 3.14Å; H356-D358 PolarHBondContact ND1-OD2 2.99Å; H356-D358 PolarHBondContact O-N 3.2Å; D358-H361 PolarHBondContact O-N 3.5Å; D358-A362 VanDerWaalsContact O-CB 3.27Å; D358-A362 WeakPolarHBondContact O-CB 3.33Å; D358-A362 PolarHBondContact O-N 2.99Å
359	I	92.1	Very high	92.2	Very high	54 Å²	54	35.3 Å²	35.3	28%	0.277	19%	0.194	S	C	.	.	H	α-helix	trans	-68.1	-42.1	174.2	-65.4	171.2	0	0	0	109.6	A352 V355 H356 T357 H361 A362 C363 I387 T389	A352-I359 HydrophobicContact CB-CG2 4.14Å; V355-I359 HydrophobicContact CB-CD1 4.25Å; V355-I359 HydrophobicContact CG1-CD1 3.56Å; H356-I359 HydrophobicContact CB-CB 4.21Å; H356-I359 HydrophobicContact CB-CD1 3.78Å; H356-I359 HydrophobicContact CB-CG1 3.92Å; H356-I359 PolarHBondContact O-N 3.45Å; T357-I359 VanDerWaalsContact C-N 3.34Å; T357-I359 PolarHBondContact O-N 2.84Å; I359-H361 VanDerWaalsContact C-N 3.33Å; I359-H361 PolarHBondContact O-N 3.22Å; I359-A362 PolarHBondContact O-N 2.83Å; I359-C363 WeakPolarHBondContact O-CB 3.36Å; I359-C363 PolarHBondContact O-N 3.46Å; I359-I387 HydrophobicContact CG2-CB 4.09Å; I359-I387 HydrophobicContact CG2-CG1 4.46Å; I359-I387 HydrophobicContact CG2-CG2 3.82Å; I359-T389 HydrophobicContact CG2-CG2 4.06Å
360	G	91.6	Very high	91.9	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-58	-43.7	171.1	0	0	0	0	0	112.7	H356 T357 C363 W399	H356-G360 PolarHBondContact O-N 2.84Å; T357-G360 PolarHBondContact O-N 3.39Å; G360-C363 WeakPolarHBondContact O-CB 3.24Å; G360-W399 WeakPolarHBondContact O-CZ3 3.48Å
361	H	90.1	Very high	91.8	Very high	45 Å²	45	52 Å²	52	21%	0.208	26%	0.263	C	S	.	.	H	α-helix	trans	-66.6	-40.7	177.9	-70	173.3	0	0	0	113.4	Y353 T357 D358 I359 C363 A393 P395	Y353-H361 AromaticContact CE1-CD2 3.64Å; Y353-H361 AromaticContact CE1-NE2 3.87Å; Y353-H361 AromaticContact CZ-CD2 3.89Å; Y353-H361 PolarHBondContact OH-CD2 3.01Å; T357-H361 VanDerWaalsContact CG2-CE1 3.45Å; T357-H361 WeakPolarHBondContact CG2-CE1 3.29Å; T357-H361 PolarHBondContact O-N 2.88Å; D358-H361 PolarHBondContact O-N 3.5Å; I359-H361 VanDerWaalsContact C-N 3.33Å; I359-H361 PolarHBondContact O-N 3.22Å; H361-C363 VanDerWaalsContact C-N 3.31Å; H361-C363 PolarHBondContact O-N 2.92Å; H361-A393 CarbonylContact O-C 3.59Å; H361-P395 HydrophobicContact CB-CG 4.39Å; H361-P395 WeakPolarHBondContact O-CD 3.36Å
362	A	91.5	Very high	91.6	Very high	23 Å²	23	56.8 Å²	56.8	19%	0.19	30%	0.295	C	S	.	.	H	α-helix	trans	-85.4	-0.2	-177.7	0	0	0	0	0	113.7	D358 I359 V364 T389 A390	D358-A362 VanDerWaalsContact O-CB 3.27Å; D358-A362 WeakPolarHBondContact O-CB 3.33Å; D358-A362 PolarHBondContact O-N 2.99Å; I359-A362 PolarHBondContact O-N 2.83Å; A362-V364 PolarHBondContact O-N 3.41Å; A362-T389 HydrophobicContact CB-CG2 4.04Å; A362-T389 CarbonylContact O-C 3.52Å; A362-T389 WeakPolarHBondContact O-CA 3.32Å; A362-A390 PolarHBondContact O-N 2.71Å
363	C	92.7	Very high	91.4	Very high	2 Å²	2	58.4 Å²	58.4	1%	0.014	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	127.6	-175.2	-178.1	0	0	0	0	111.9	A352 I359 G360 H361 I387 W399	A352-C363 HydrophobicContact CB-CB 4.39Å; I359-C363 WeakPolarHBondContact O-CB 3.36Å; I359-C363 PolarHBondContact O-N 3.46Å; G360-C363 WeakPolarHBondContact O-CB 3.24Å; H361-C363 VanDerWaalsContact C-N 3.31Å; H361-C363 PolarHBondContact O-N 2.92Å; C363-I387 HydrophobicContact CB-CG2 4.1Å; C363-W399 HydrophobicContact CB-CH2 3.88Å; C363-W399 HydrophobicContact CB-CZ3 4.47Å; C363-W399 VanDerWaalsContact O-CH2 3.22Å; C363-W399 WeakPolarHBondContact O-CH2 3.34Å
364	V	90.9	Very high	91.1	Very high	78 Å²	78	61.7 Å²	61.7	47%	0.473	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	-18.9	174.4	-65.9	0	0	0	0	112.9	A362 I388 A390 A393	A362-V364 PolarHBondContact O-N 3.41Å; V364-I388 HydrophobicContact CG2-CB 4.27Å; V364-I388 HydrophobicContact CG2-CG2 3.8Å; V364-I388 VanDerWaalsContact CG2-O 3.29Å; V364-I388 WeakPolarHBondContact CG2-O 3.47Å; V364-I388 PolarHBondContact N-O 2.93Å; V364-A390 HydrophobicContact CG1-CB 3.69Å; V364-A390 HydrophobicContact CG2-CB 4.13Å; V364-A393 HydrophobicContact CG1-CB 3.57Å
365	G	90.8	Very high	91.1	Very high	16 Å²	16	61.4 Å²	61.4	17%	0.165	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.6	176.5	180	0	0	0	0	0	111.6	I388	G365-I388 PolarHBondContact N-O 3.06Å; G365-I388 PolarHBondContact O-N 3.03Å
366	A	94	Very high	90.8	Very high	6 Å²	6	61 Å²	61	5%	0.05	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	151.4	177.5	0	0	0	0	0	111.3	P348 Y373 L375 E386 I387	P348-A366 HydrophobicContact CB-CB 3.4Å; P348-A366 VanDerWaalsContact CB-CB 3.4Å; P348-A366 HydrophobicContact CG-CB 3.9Å; A366-Y373 PolarHBondContact O-N 3.18Å; A366-L375 HydrophobicContact CB-CD2 3.88Å; A366-E386 CarbonylContact C-O 3.58Å; A366-E386 WeakPolarHBondContact CA-O 3.35Å; A366-I387 HydrophobicContact CB-CD1 4.06Å
367	R	94.2	Very high	90.7	Very high	106 Å²	106	60.6 Å²	60.6	40%	0.4	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	136	162.6	-62.8	175	178.2	145	-5.6	108.8	Q371 E386 I388	R367-Q371 CarbonylContact C-O 3.58Å; R367-Q371 WeakPolarHBondContact CA-O 3.46Å; R367-E386 HydrophobicContact CB-CB 4.23Å; R367-E386 PolarHBondContact N-O 3.48Å; R367-E386 IonicContact NH1-OE1 3.1Å; R367-E386 PolarHBondContact NH1-OE1 2.94Å; R367-E386 PolarHBondContact O-N 3.37Å; R367-I388 HydrophobicContact CG-CD1 4.21Å
368	V	93.4	Very high	90.8	Very high	4 Å²	4	61.7 Å²	61.7	2%	0.024	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	126.9	173.8	-179.5	0	0	0	0	107.5	R370 Q371 Y373 L379 Q383 T384 V385	V368-R370 PolarHBondContact O-N 3.43Å; V368-Q371 PolarHBondContact N-O 3.39Å; V368-Q371 PolarHBondContact O-N 3.38Å; V368-Y373 HydrophobicContact CB-CD1 4.33Å; V368-Y373 HydrophobicContact CB-CD2 3.55Å; V368-Y373 HydrophobicContact CB-CE2 4.1Å; V368-Y373 HydrophobicContact CB-CG 3.65Å; V368-Y373 HydrophobicContact CG1-CD2 4.26Å; V368-Y373 HydrophobicContact CG1-CE2 4.33Å; V368-Y373 HydrophobicContact CG2-CD1 3.58Å; V368-Y373 HydrophobicContact CG2-CD2 3.76Å; V368-Y373 HydrophobicContact CG2-CE1 4.12Å; V368-Y373 HydrophobicContact CG2-CE2 4.29Å; V368-Y373 HydrophobicContact CG2-CG 3.34Å; V368-L379 HydrophobicContact CG1-CD2 4.43Å; V368-L379 HydrophobicContact CG2-CD2 3.71Å; V368-Q383 HydrophobicContact CG1-CB 3.68Å; V368-Q383 HydrophobicContact CG1-CG 4.09Å; V368-Q383 VanDerWaalsContact CG1-NE2 3.32Å; V368-T384 CarbonylContact C-O 3.57Å; V368-T384 VanDerWaalsContact CA-O 3.29Å; V368-T384 WeakPolarHBondContact CA-O 3.34Å; V368-V385 HydrophobicContact CG2-CG1 4.36Å; V368-V385 HydrophobicContact CG2-CG2 4.29Å
369	D	92.1	Very high	90.8	Very high	78 Å²	78	57.2 Å²	57.2	42%	0.417	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.3	41.4	-173.3	-54.2	-43.4	0	0	0	112	Q371 Q383 T384	D369-Q371 PolarHBondContact O-N 2.85Å; D369-Q383 WeakPolarHBondContact OD2-CG 3.15Å; D369-Q383 PolarHBondContact OD2-NE2 3.1Å; D369-T384 PolarHBondContact N-O 3.43Å; D369-T384 PolarHBondContact OD1-N 3.49Å
370	R	89	Confident	90.7	Very high	220 Å²	220	58.4 Å²	58.4	83%	0.83	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.7	5.7	-177.4	-52.3	177.5	179.4	173.9	-0.7	115.6	V368	V368-R370 PolarHBondContact O-N 3.43Å
371	Q	91.1	Very high	90.5	Very high	131 Å²	131	61.7 Å²	61.7	61%	0.612	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.3	145.1	176.3	-64.9	-62.9	-27.1	0	0	111.2	R367 V368 D369 Y373	R367-Q371 CarbonylContact C-O 3.58Å; R367-Q371 WeakPolarHBondContact CA-O 3.46Å; V368-Q371 PolarHBondContact N-O 3.39Å; V368-Q371 PolarHBondContact O-N 3.38Å; D369-Q371 PolarHBondContact O-N 2.85Å; Q371-Y373 PolarHBondContact O-N 3.37Å
372	P	91.4	Very high	90.4	Very high	105 Å²	105	61.7 Å²	61.7	68%	0.682	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.8	131.2	172	-23.4	33.4	0	0	0	111.2
373	Y	89.5	Confident	90.4	Very high	33 Å²	33	61.9 Å²	61.9	13%	0.129	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	128.8	-174	-159.1	-94.3	0	0	0	111.2	P348 A366 V368 Q371 L375 Q377 P378 L379	P348-Y373 HydrophobicContact CG-CD1 3.64Å; P348-Y373 HydrophobicContact CG-CE1 4.08Å; A366-Y373 PolarHBondContact O-N 3.18Å; V368-Y373 HydrophobicContact CB-CD1 4.33Å; V368-Y373 HydrophobicContact CB-CD2 3.55Å; V368-Y373 HydrophobicContact CB-CE2 4.1Å; V368-Y373 HydrophobicContact CB-CG 3.65Å; V368-Y373 HydrophobicContact CG1-CD2 4.26Å; V368-Y373 HydrophobicContact CG1-CE2 4.33Å; V368-Y373 HydrophobicContact CG2-CD1 3.58Å; V368-Y373 HydrophobicContact CG2-CD2 3.76Å; V368-Y373 HydrophobicContact CG2-CE1 4.12Å; V368-Y373 HydrophobicContact CG2-CE2 4.29Å; V368-Y373 HydrophobicContact CG2-CG 3.34Å; Q371-Y373 PolarHBondContact O-N 3.37Å; Y373-L375 PolarHBondContact O-N 3.41Å; Y373-Q377 HydrophobicContact CD1-CB 4.18Å; Y373-Q377 HydrophobicContact CE1-CB 3.54Å; Y373-Q377 HydrophobicContact CE1-CG 3.74Å; Y373-Q377 WeakPolarHBondContact CE1-O 3.3Å; Y373-Q377 HydrophobicContact CE2-CG 4.4Å; Y373-Q377 WeakPolarHBondContact OH-CG 3.46Å; Y373-Q377 PolarHBondContact OH-NE2 3.46Å; Y373-P378 PolarHBondContact OH-O 2.78Å; Y373-L379 HydrophobicContact CE1-CD2 4.12Å
374	P	87.7	Confident	90.5	Very high	69 Å²	69	64.4 Å²	64.4	45%	0.448	36%	0.355	S	S	.	.			trans	-59.8	133.9	178.3	-21.7	31.5	0	0	0	112.3	S376 Q377	P374-S376 PolarHBondContact O-N 3.26Å; P374-S376 VanDerWaalsContact O-N 3.15Å; P374-Q377 HydrophobicContact CB-CB 4.04Å; P374-Q377 HydrophobicContact CG-CB 4.34Å; P374-Q377 PolarHBondContact O-N 3.03Å; P374-Q377 VanDerWaalsContact O-N 3.08Å
375	L	89.8	Confident	90.7	Very high	29 Å²	29	60.7 Å²	60.7	15%	0.152	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-23.4	178.8	-71.1	-177.9	0	0	0	113.7	T347 P348 V349 A366 Y373 W399 F402	T347-L375 VanDerWaalsContact CB-O 3.29Å; T347-L375 WeakPolarHBondContact CB-O 3.48Å; P348-L375 HydrophobicContact CB-CD2 4.03Å; V349-L375 HydrophobicContact CG2-CB 3.94Å; V349-L375 HydrophobicContact CG2-CD1 4.25Å; V349-L375 HydrophobicContact CG2-CD2 4Å; V349-L375 HydrophobicContact CG2-CG 4.29Å; A366-L375 HydrophobicContact CB-CD2 3.88Å; Y373-L375 PolarHBondContact O-N 3.41Å; L375-W399 HydrophobicContact CD1-CZ2 4.05Å; L375-F402 HydrophobicContact CB-CE2 4.48Å; L375-F402 HydrophobicContact CB-CZ 4.18Å; L375-F402 WeakPolarHBondContact O-CE2 3.38Å
376	S	86.5	Confident	90.9	Very high	57 Å²	57	63.1 Å²	63.1	40%	0.399	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-10	178.7	55.7	0	0	0	0	114	P374	P374-S376 PolarHBondContact O-N 3.26Å; P374-S376 VanDerWaalsContact O-N 3.15Å
377	Q	86.9	Confident	91	Very high	85 Å²	85	64.1 Å²	64.1	40%	0.397	34%	0.344	S	S	.	.	S	Bend	trans	-79.8	133.2	-177.4	-173.9	178.4	-16.5	0	0	110.3	P348 Y373 P374	P348-Q377 VanDerWaalsContact CD-O 3.28Å; P348-Q377 WeakPolarHBondContact CD-O 3.37Å; Y373-Q377 HydrophobicContact CD1-CB 4.18Å; Y373-Q377 HydrophobicContact CE1-CB 3.54Å; Y373-Q377 HydrophobicContact CE1-CG 3.74Å; Y373-Q377 WeakPolarHBondContact CE1-O 3.3Å; Y373-Q377 HydrophobicContact CE2-CG 4.4Å; Y373-Q377 WeakPolarHBondContact OH-CG 3.46Å; Y373-Q377 PolarHBondContact OH-NE2 3.46Å; P374-Q377 HydrophobicContact CB-CB 4.04Å; P374-Q377 HydrophobicContact CG-CB 4.34Å; P374-Q377 PolarHBondContact O-N 3.03Å; P374-Q377 VanDerWaalsContact O-N 3.08Å
378	P	91	Very high	91	Very high	54 Å²	54	62.1 Å²	62.1	35%	0.351	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-69.1	134.6	177.8	-22.6	34.3	0	0	0	113.7	Y373	Y373-P378 PolarHBondContact OH-O 2.78Å
379	L	91.4	Very high	91	Very high	6 Å²	6	65.5 Å²	65.5	3%	0.031	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-72.7	156	174	-62.9	170.1	0	0	0	111.9	I330 V332 L342 A346 P348 F351 V368 Y373 V385	I330-L379 HydrophobicContact CD1-CB 3.64Å; I330-L379 WeakPolarHBondContact CD1-O 3.45Å; V332-L379 HydrophobicContact CG1-CB 4.23Å; V332-L379 HydrophobicContact CG1-CD1 4.31Å; L342-L379 HydrophobicContact CD1-CD1 3.95Å; A346-L379 WeakPolarHBondContact O-CB 3.44Å; A346-L379 PolarHBondContact O-N 2.93Å; P348-L379 HydrophobicContact CG-CD2 4.12Å; P348-L379 HydrophobicContact CG-CG 4.5Å; F351-L379 HydrophobicContact CB-CD1 4.06Å; V368-L379 HydrophobicContact CG1-CD2 4.43Å; V368-L379 HydrophobicContact CG2-CD2 3.71Å; Y373-L379 HydrophobicContact CE1-CD2 4.12Å; L379-V385 HydrophobicContact CD1-CG2 4.03Å; L379-V385 HydrophobicContact CD2-CG2 3.74Å
380	T	89.6	Confident	90.9	Very high	80 Å²	80	63.3 Å²	63.3	49%	0.491	35%	0.354	S	S	.	.			trans	-121.2	151.9	173.8	62.1	0	0	0	0	111	G382 Q383	T380-G382 PolarHBondContact O-N 3.35Å; T380-Q383 WeakPolarHBondContact O-CG 3.45Å; T380-Q383 PolarHBondContact O-N 3Å; T380-Q383 PolarHBondContact O-OE1 3.21Å; T380-Q383 WeakPolarHBondContact OG1-CG 3.17Å; T380-Q383 PolarHBondContact OG1-OE1 2.94Å
381	S	87	Confident	90.6	Very high	68 Å²	68	59.5 Å²	59.5	48%	0.476	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	137.5	177.7	-62.9	0	0	0	0	111.9	I330 Y331	I330-S381 VanDerWaalsContact CA-OG 3.23Å; I330-S381 WeakPolarHBondContact CA-OG 3.47Å; I330-S381 WeakPolarHBondContact CB-OG 3.35Å; Y331-S381 PolarHBondContact N-OG 3.34Å; Y331-S381 CarbonylContact O-C 3.53Å; Y331-S381 VanDerWaalsContact O-CA 3.27Å; Y331-S381 WeakPolarHBondContact O-CA 3.36Å
382	G	87.2	Confident	89.9	Confident	46 Å²	46	56.9 Å²	56.9	47%	0.474	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	97.5	-10.6	177.7	0	0	0	0	0	114.5	Y331 F333 T380	Y331-G382 PolarHBondContact O-N 3.36Å; F333-G382 WeakPolarHBondContact CD2-O 3.39Å; T380-G382 PolarHBondContact O-N 3.35Å
383	Q	91.9	Very high	89.5	Confident	27 Å²	27	53.3 Å²	53.3	13%	0.126	35%	0.345	C	S	.	.			trans	-77.4	148	-180	-64.6	-171.7	-71.7	0	0	112.3	V332 F333 V368 D369 T380	V332-Q383 WeakPolarHBondContact CA-O 3.46Å; F333-Q383 PolarHBondContact N-O 3.07Å; V368-Q383 HydrophobicContact CG1-CB 3.68Å; V368-Q383 HydrophobicContact CG1-CG 4.09Å; V368-Q383 VanDerWaalsContact CG1-NE2 3.32Å; D369-Q383 WeakPolarHBondContact OD2-CG 3.15Å; D369-Q383 PolarHBondContact OD2-NE2 3.1Å; T380-Q383 WeakPolarHBondContact O-CG 3.45Å; T380-Q383 PolarHBondContact O-N 3Å; T380-Q383 PolarHBondContact O-OE1 3.21Å; T380-Q383 WeakPolarHBondContact OG1-CG 3.17Å; T380-Q383 PolarHBondContact OG1-OE1 2.94Å
384	T	94.8	Very high	89	Confident	54 Å²	54	61.2 Å²	61.2	33%	0.331	38%	0.375	S	S	.	.	B	Isolated β-bridge	trans	-96.3	123.7	172.6	-55.1	0	0	0	0	110	F333 V368 D369	F333-T384 HydrophobicContact CB-CG2 4.45Å; F333-T384 CarbonylContact O-C 3.56Å; F333-T384 WeakPolarHBondContact O-CA 3.36Å; V368-T384 CarbonylContact C-O 3.57Å; V368-T384 VanDerWaalsContact CA-O 3.29Å; V368-T384 WeakPolarHBondContact CA-O 3.34Å; D369-T384 PolarHBondContact N-O 3.43Å; D369-T384 PolarHBondContact OD1-N 3.49Å
385	V	95.5	Very high	88.8	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	125.6	-174.7	-172.1	0	0	0	0	110.3	V332 F333 P335 F351 V368 L379 I387	V332-V385 HydrophobicContact CB-CG2 4.08Å; V332-V385 HydrophobicContact CG1-CG2 4.42Å; V332-V385 HydrophobicContact CG2-CG2 4.4Å; F333-V385 PolarHBondContact O-N 2.88Å; P335-V385 WeakPolarHBondContact CD-O 3.48Å; F351-V385 HydrophobicContact CB-CG1 4.32Å; F351-V385 HydrophobicContact CD1-CB 3.78Å; F351-V385 HydrophobicContact CD1-CG1 3.4Å; F351-V385 VanDerWaalsContact CD1-CG1 3.4Å; F351-V385 HydrophobicContact CD2-CB 4.34Å; F351-V385 HydrophobicContact CE1-CB 3.69Å; F351-V385 HydrophobicContact CE1-CG1 3.71Å; F351-V385 WeakPolarHBondContact CE1-O 3.47Å; F351-V385 HydrophobicContact CE2-CB 4.24Å; F351-V385 HydrophobicContact CG-CB 4.08Å; F351-V385 HydrophobicContact CG-CG1 3.89Å; F351-V385 HydrophobicContact CZ-CB 3.91Å; F351-V385 HydrophobicContact CZ-CG1 4.42Å; V368-V385 HydrophobicContact CG2-CG1 4.36Å; V368-V385 HydrophobicContact CG2-CG2 4.29Å; L379-V385 HydrophobicContact CD1-CG2 4.03Å; L379-V385 HydrophobicContact CD2-CG2 3.74Å; V385-I387 HydrophobicContact CG1-CD1 4.01Å
386	E	96	Very high	88.3	Confident	67 Å²	67	61 Å²	61	31%	0.313	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	125.1	173.3	179.9	-167.2	151.8	0	0	108.3	P335 A366 R367	P335-E386 HydrophobicContact CG-CB 3.98Å; P335-E386 HydrophobicContact CG-CG 4.27Å; A366-E386 CarbonylContact C-O 3.58Å; A366-E386 WeakPolarHBondContact CA-O 3.35Å; R367-E386 HydrophobicContact CB-CB 4.23Å; R367-E386 PolarHBondContact N-O 3.48Å; R367-E386 IonicContact NH1-OE1 3.1Å; R367-E386 PolarHBondContact NH1-OE1 2.94Å; R367-E386 PolarHBondContact O-N 3.37Å
387	I	95.6	Very high	87.7	Confident	28 Å²	28	58.6 Å²	58.6	14%	0.144	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	128.5	178.6	-59.8	-58.9	0	0	0	109.5	P348 F351 A352 I359 C363 A366 V385 T389	P348-I387 HydrophobicContact CB-CD1 4.14Å; P348-I387 VanDerWaalsContact O-CD1 3.32Å; P348-I387 WeakPolarHBondContact O-CD1 3.41Å; F351-I387 HydrophobicContact CD1-CD1 3.89Å; F351-I387 HydrophobicContact CD1-CG1 3.68Å; F351-I387 HydrophobicContact CE1-CG1 3.99Å; A352-I387 HydrophobicContact CB-CD1 4.05Å; A352-I387 HydrophobicContact CB-CG1 3.92Å; A352-I387 HydrophobicContact CB-CG2 4.11Å; I359-I387 HydrophobicContact CG2-CB 4.09Å; I359-I387 HydrophobicContact CG2-CG1 4.46Å; I359-I387 HydrophobicContact CG2-CG2 3.82Å; C363-I387 HydrophobicContact CB-CG2 4.1Å; A366-I387 HydrophobicContact CB-CD1 4.06Å; V385-I387 HydrophobicContact CG1-CD1 4.01Å; I387-T389 HydrophobicContact CG2-CG2 4Å
388	I	93	Very high	87.1	Confident	64 Å²	64	55.9 Å²	55.9	33%	0.328	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	118.7	173.6	-53.6	174.2	0	0	0	107	V364 G365 R367	V364-I388 HydrophobicContact CG2-CB 4.27Å; V364-I388 HydrophobicContact CG2-CG2 3.8Å; V364-I388 VanDerWaalsContact CG2-O 3.29Å; V364-I388 WeakPolarHBondContact CG2-O 3.47Å; V364-I388 PolarHBondContact N-O 2.93Å; G365-I388 PolarHBondContact N-O 3.06Å; G365-I388 PolarHBondContact O-N 3.03Å; R367-I388 HydrophobicContact CG-CD1 4.21Å
389	T	93.9	Very high	86.9	Confident	74 Å²	74	54.1 Å²	54.1	45%	0.454	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	152.1	178.2	58.5	0	0	0	0	111.6	I359 A362 I387	I359-T389 HydrophobicContact CG2-CG2 4.06Å; A362-T389 HydrophobicContact CB-CG2 4.04Å; A362-T389 CarbonylContact O-C 3.52Å; A362-T389 WeakPolarHBondContact O-CA 3.32Å; I387-T389 HydrophobicContact CG2-CG2 4Å
390	A	89.6	Confident	86.3	Confident	33 Å²	33	55.1 Å²	55.1	27%	0.273	34%	0.338	S	S	.	.			trans	-131.5	135.9	172.1	0	0	0	0	0	111.1	A362 V364 G392 A393	A362-A390 PolarHBondContact O-N 2.71Å; V364-A390 HydrophobicContact CG1-CB 3.69Å; V364-A390 HydrophobicContact CG2-CB 4.13Å; A390-G392 PolarHBondContact O-N 3.13Å; A390-A393 HydrophobicContact CB-CB 4.19Å; A390-A393 VanDerWaalsContact O-CB 3.26Å; A390-A393 WeakPolarHBondContact O-CB 3.5Å; A390-A393 PolarHBondContact O-N 3.35Å; A390-A393 VanDerWaalsContact O-N 3.11Å
391	P	83.1	Confident	85.5	Confident	139 Å²	139	52.8 Å²	52.8	90%	0.903	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	129.4	174.1	-22	32.3	0	0	0	111	A393	P391-A393 VanDerWaalsContact C-N 3.27Å; P391-A393 PolarHBondContact O-N 3.08Å
392	G	77.2	Confident	85.3	Confident	77 Å²	77	51.2 Å²	51.2	79%	0.794	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	80	-1.1	-179.3	0	0	0	0	0	115.4	A390	A390-G392 PolarHBondContact O-N 3.13Å
393	A	82.4	Confident	85.2	Confident	29 Å²	29	49 Å²	49	24%	0.24	29%	0.285	C	S	.	.			trans	-59.9	146	169.3	0	0	0	0	0	110.6	H361 V364 A390 P391	H361-A393 CarbonylContact O-C 3.59Å; V364-A393 HydrophobicContact CG1-CB 3.57Å; A390-A393 HydrophobicContact CB-CB 4.19Å; A390-A393 VanDerWaalsContact O-CB 3.26Å; A390-A393 WeakPolarHBondContact O-CB 3.5Å; A390-A393 PolarHBondContact O-N 3.35Å; A390-A393 VanDerWaalsContact O-N 3.11Å; P391-A393 VanDerWaalsContact C-N 3.27Å; P391-A393 PolarHBondContact O-N 3.08Å
394	R	79.9	Confident	84.7	Confident	199 Å²	199	48.3 Å²	48.3	75%	0.751	28%	0.282	S	S	*	.			trans	-126.6	144.5	176	-64.1	-170.7	-179.7	-160.7	0.5	109.1	N396	R394-N396 PolarHBondContact O-N 3.11Å
395	P	82.3	Confident	84.1	Confident	15 Å²	15	46.2 Å²	46.2	10%	0.097	27%	0.27	C	S	.	.			trans	-48.1	134.6	171.6	-30	35.1	0	0	0	112.9	Y353 H361 W399 I412 L415	Y353-P395 VanDerWaalsContact OH-CG 3.29Å; Y353-P395 WeakPolarHBondContact OH-CG 3.3Å; H361-P395 HydrophobicContact CB-CG 4.39Å; H361-P395 WeakPolarHBondContact O-CD 3.36Å; P395-W399 HydrophobicContact CB-CE3 3.95Å; P395-W399 HydrophobicContact CB-CZ3 3.75Å; P395-W399 HydrophobicContact CG-CZ3 4.22Å; P395-I412 HydrophobicContact CB-CG1 4.45Å; P395-L415 HydrophobicContact CB-CD2 4.17Å; P395-L415 HydrophobicContact CG-CD2 3.54Å
396	N	79.5	Confident	83.3	Confident	80 Å²	80	46.9 Å²	46.9	43%	0.428	27%	0.274	S	S	.	.			trans	-82.5	125	169.2	-173.2	-21.5	0	0	0	108.7	R394 A398 W399	R394-N396 PolarHBondContact O-N 3.11Å; N396-A398 PolarHBondContact O-N 3.1Å; N396-A398 VanDerWaalsContact O-N 3.11Å; N396-A398 VanDerWaalsContact OD1-CB 3.26Å; N396-A398 WeakPolarHBondContact OD1-CB 3.36Å; N396-A398 PolarHBondContact OD1-N 3.36Å; N396-W399 HydrophobicContact CB-CD2 4.22Å; N396-W399 HydrophobicContact CB-CG 4.22Å; N396-W399 HydrophobicContact CB-CZ2 4.4Å; N396-W399 WeakPolarHBondContact O-CB 3.39Å; N396-W399 PolarHBondContact O-N 3.28Å
397	A	75.1	Confident	82.7	Confident	6 Å²	6	47 Å²	47	5%	0.05	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-58.1	-25.9	177.3	0	0	0	0	0	113.3	W399 L400 L416 L427 L431	A397-W399 PolarHBondContact O-N 3.12Å; A397-W399 VanDerWaalsContact O-N 3.13Å; A397-L400 WeakPolarHBondContact O-CB 3.29Å; A397-L400 PolarHBondContact O-N 3.21Å; A397-L400 VanDerWaalsContact O-N 3.11Å; A397-L416 HydrophobicContact CB-CD1 3.9Å; A397-L416 HydrophobicContact CB-CD2 3.94Å; A397-L427 HydrophobicContact CB-CD1 4.22Å; A397-L427 HydrophobicContact CB-CD2 3.87Å; A397-L427 HydrophobicContact CB-CG 4.25Å; A397-L431 HydrophobicContact CB-CD1 3.7Å; A397-L431 HydrophobicContact CB-CD2 4.23Å; A397-L431 HydrophobicContact CB-CG 4.46Å
398	A	73.9	Confident	82.3	Confident	27 Å²	27	45.7 Å²	45.7	22%	0.223	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-60.6	-19.8	173.3	0	0	0	0	0	113.1	N396 L400 N401 L431	N396-A398 PolarHBondContact O-N 3.1Å; N396-A398 VanDerWaalsContact O-N 3.11Å; N396-A398 VanDerWaalsContact OD1-CB 3.26Å; N396-A398 WeakPolarHBondContact OD1-CB 3.36Å; N396-A398 PolarHBondContact OD1-N 3.36Å; A398-L400 PolarHBondContact O-N 3.4Å; A398-N401 VanDerWaalsContact O-CB 3.3Å; A398-N401 WeakPolarHBondContact O-CB 3.26Å; A398-N401 PolarHBondContact O-N 2.85Å; A398-N401 VanDerWaalsContact O-N 3.1Å; A398-N401 PolarHBondContact O-ND2 3.47Å; A398-L431 HydrophobicContact CB-CD2 4.02Å
399	W	85.4	Confident	81.9	Confident	18 Å²	18	44.9 Å²	44.9	7%	0.068	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-60.8	-29.4	175	-63.6	-8.4	0	0	0	112.5	V349 Y353 G360 C363 L375 P395 N396 A397 N401 F402 V403 I412	V349-W399 HydrophobicContact CG1-CD2 4.06Å; V349-W399 HydrophobicContact CG1-CE3 3.6Å; V349-W399 HydrophobicContact CG1-CZ3 4.08Å; V349-W399 HydrophobicContact CG2-CD2 4.13Å; V349-W399 HydrophobicContact CG2-CE3 4.38Å; V349-W399 HydrophobicContact CG2-CG 4.43Å; Y353-W399 HydrophobicContact CE2-CZ3 4.5Å; G360-W399 WeakPolarHBondContact O-CZ3 3.48Å; C363-W399 HydrophobicContact CB-CH2 3.88Å; C363-W399 HydrophobicContact CB-CZ3 4.47Å; C363-W399 VanDerWaalsContact O-CH2 3.22Å; C363-W399 WeakPolarHBondContact O-CH2 3.34Å; L375-W399 HydrophobicContact CD1-CZ2 4.05Å; P395-W399 HydrophobicContact CB-CE3 3.95Å; P395-W399 HydrophobicContact CB-CZ3 3.75Å; P395-W399 HydrophobicContact CG-CZ3 4.22Å; N396-W399 HydrophobicContact CB-CD2 4.22Å; N396-W399 HydrophobicContact CB-CG 4.22Å; N396-W399 HydrophobicContact CB-CZ2 4.4Å; N396-W399 WeakPolarHBondContact O-CB 3.39Å; N396-W399 PolarHBondContact O-N 3.28Å; A397-W399 PolarHBondContact O-N 3.12Å; A397-W399 VanDerWaalsContact O-N 3.13Å; W399-N401 PolarHBondContact O-N 3.14Å; W399-F402 HydrophobicContact CB-CE1 4.26Å; W399-F402 HydrophobicContact CB-CE2 4.27Å; W399-F402 HydrophobicContact CB-CZ 3.88Å; W399-F402 AromaticContact CD1-CE1 3.63Å; W399-F402 AromaticContact CD1-CZ 3.24Å; W399-F402 HydrophobicContact CG-CE1 4.24Å; W399-F402 HydrophobicContact CG-CE2 4.35Å; W399-F402 AromaticContact CG-CZ 3.68Å; W399-F402 HydrophobicContact CG-CZ 3.68Å; W399-F402 AromaticContact NE1-CZ 3.99Å; W399-F402 PolarHBondContact O-N 2.93Å; W399-V403 HydrophobicContact CB-CG1 4.17Å; W399-V403 WeakPolarHBondContact O-CG1 3.3Å; W399-V403 WeakPolarHBondContact O-CG2 3.41Å; W399-V403 PolarHBondContact O-N 2.84Å; W399-I412 HydrophobicContact CB-CD1 4.06Å; W399-I412 HydrophobicContact CE3-CD1 4.24Å
400	L	79.7	Confident	81.3	Confident	27 Å²	27	42 Å²	42	14%	0.141	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-55.6	-22.8	175.1	-69.6	176.1	0	0	0	113.3	A397 A398 F402 R409 I412 R413 L416	A397-L400 WeakPolarHBondContact O-CB 3.29Å; A397-L400 PolarHBondContact O-N 3.21Å; A397-L400 VanDerWaalsContact O-N 3.11Å; A398-L400 PolarHBondContact O-N 3.4Å; L400-F402 VanDerWaalsContact C-N 3.33Å; L400-R409 HydrophobicContact CD2-CB 4.47Å; L400-R409 HydrophobicContact CD2-CG 4.43Å; L400-I412 HydrophobicContact CD1-CG2 4.27Å; L400-I412 HydrophobicContact CD2-CB 3.97Å; L400-I412 HydrophobicContact CD2-CD1 4.45Å; L400-I412 HydrophobicContact CD2-CG2 3.76Å; L400-I412 HydrophobicContact CG-CG2 3.79Å; L400-R413 HydrophobicContact CD1-CG 4.24Å; L400-R413 HydrophobicContact CD2-CG 4.09Å; L400-L416 HydrophobicContact CD1-CD1 3.73Å
401	N	73.5	Confident	81.1	Confident	30 Å²	30	42.3 Å²	42.3	16%	0.16	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-73.2	-22.4	178.2	-64	-31.4	0	0	0	113.6	A398 W399	A398-N401 VanDerWaalsContact O-CB 3.3Å; A398-N401 WeakPolarHBondContact O-CB 3.26Å; A398-N401 PolarHBondContact O-N 2.85Å; A398-N401 VanDerWaalsContact O-N 3.1Å; A398-N401 PolarHBondContact O-ND2 3.47Å; W399-N401 PolarHBondContact O-N 3.14Å
402	F	82.2	Confident	81.2	Confident	35 Å²	35	35.7 Å²	35.7	15%	0.154	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.7	-20	-173.5	63.3	-109	0	0	0	115.2	T347 V349 L375 W399 L400 V404	T347-F402 HydrophobicContact CG2-CD2 3.88Å; V349-F402 HydrophobicContact CB-CE2 4.17Å; V349-F402 HydrophobicContact CG2-CE2 3.72Å; V349-F402 HydrophobicContact CG2-CZ 4.12Å; L375-F402 HydrophobicContact CB-CE2 4.48Å; L375-F402 HydrophobicContact CB-CZ 4.18Å; L375-F402 WeakPolarHBondContact O-CE2 3.38Å; W399-F402 HydrophobicContact CB-CE1 4.26Å; W399-F402 HydrophobicContact CB-CE2 4.27Å; W399-F402 HydrophobicContact CB-CZ 3.88Å; W399-F402 AromaticContact CD1-CE1 3.63Å; W399-F402 AromaticContact CD1-CZ 3.24Å; W399-F402 HydrophobicContact CG-CE1 4.24Å; W399-F402 HydrophobicContact CG-CE2 4.35Å; W399-F402 AromaticContact CG-CZ 3.68Å; W399-F402 HydrophobicContact CG-CZ 3.68Å; W399-F402 AromaticContact NE1-CZ 3.99Å; W399-F402 PolarHBondContact O-N 2.93Å; L400-F402 VanDerWaalsContact C-N 3.33Å; F402-V404 PolarHBondContact O-N 3.31Å
403	V	84.7	Confident	81.2	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.17	C	C	.	.			trans	-62.3	140	174.2	-66.4	0	0	0	0	109.9	V349 W399 A408 R409 I412	V349-V403 HydrophobicContact CB-CG1 3.82Å; V349-V403 HydrophobicContact CG1-CG1 3.51Å; W399-V403 HydrophobicContact CB-CG1 4.17Å; W399-V403 WeakPolarHBondContact O-CG1 3.3Å; W399-V403 WeakPolarHBondContact O-CG2 3.41Å; W399-V403 PolarHBondContact O-N 2.84Å; V403-A408 HydrophobicContact CB-CB 4.19Å; V403-A408 HydrophobicContact CG1-CB 4.33Å; V403-R409 HydrophobicContact CG2-CG 3.49Å; V403-R409 VanDerWaalsContact CG2-CG 3.49Å; V403-R409 PolarHBondContact O-NE 3.27Å; V403-R409 PolarHBondContact O-NH2 2.91Å; V403-I412 HydrophobicContact CG1-CD1 4.05Å; V403-I412 HydrophobicContact CG2-CD1 4.09Å
404	V	82.5	Confident	81.1	Confident	12 Å²	12	38 Å²	38	7%	0.073	18%	0.179	C	C	.	.			trans	-105.8	-39	-175.4	179	0	0	0	0	111.8	P343 G345 D350 F402 R409	P343-V404 HydrophobicContact CB-CG1 4.31Å; P343-V404 HydrophobicContact CG-CG1 4.15Å; G345-V404 VanDerWaalsContact O-CG2 3.27Å; G345-V404 WeakPolarHBondContact O-CG2 3.3Å; D350-V404 PolarHBondContact OD1-N 3.03Å; D350-V404 PolarHBondContact OD2-N 3.32Å; F402-V404 PolarHBondContact O-N 3.31Å; V404-R409 PolarHBondContact O-NH1 3.42Å
405	S	81.6	Confident	81	Confident	11 Å²	11	31.4 Å²	31.4	8%	0.077	16%	0.157	C	C	.	.			trans	-67.7	139.5	-174.1	67.7	0	0	0	0	112.1	D350 K407 A408 R409	D350-S405 VanDerWaalsContact OD1-CB 3.27Å; D350-S405 WeakPolarHBondContact OD1-CB 3.43Å; D350-S405 PolarHBondContact OD1-N 2.97Å; D350-S405 PolarHBondContact OD1-OG 3.46Å; S405-K407 VanDerWaalsContact C-N 3.29Å; S405-K407 PolarHBondContact O-N 2.82Å; S405-A408 PolarHBondContact O-N 3.4Å; S405-A408 WeakPolarHBondContact OG-CB 3.43Å; S405-A408 PolarHBondContact OG-N 3.12Å; S405-R409 WeakPolarHBondContact O-CG 3.06Å; S405-R409 PolarHBondContact O-N 3.31Å; S405-R409 VanDerWaalsContact O-N 3.17Å
406	S	79	Confident	80.5	Confident	13 Å²	13	31 Å²	31	9%	0.091	16%	0.155	C	C	.	.	H	α-helix	trans	-56.2	-45.2	175.4	59.8	0	0	0	0	110.9	D324 R409 A410	D324-S406 PolarHBondContact OD1-OG 2.84Å; D324-S406 VanDerWaalsContact OD1-OG 3.05Å; D324-S406 WeakPolarHBondContact OD2-CB 3.49Å; D324-S406 PolarHBondContact OD2-OG 2.89Å; S406-R409 PolarHBondContact O-N 3.11Å; S406-A410 WeakPolarHBondContact O-CB 3.48Å; S406-A410 PolarHBondContact O-N 3.29Å
407	K	82.9	Confident	80	Confident	70 Å²	70	31.3 Å²	31.3	30%	0.304	15%	0.152	S	C	.	.	H	α-helix	trans	-59	-50	178.1	-170.9	-177.8	-175.6	-167.9	0	112.8	Y353 S405 A410 K411	Y353-K407 VanDerWaalsContact O-CE 3.31Å; Y353-K407 WeakPolarHBondContact O-CE 3.15Å; Y353-K407 PolarHBondContact O-NZ 3.28Å; S405-K407 VanDerWaalsContact C-N 3.29Å; S405-K407 PolarHBondContact O-N 2.82Å; K407-A410 PolarHBondContact O-N 3Å; K407-K411 HydrophobicContact CG-CG 4.48Å; K407-K411 WeakPolarHBondContact O-CG 3.42Å; K407-K411 PolarHBondContact O-N 2.88Å
408	A	87.5	Confident	79.6	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-61.7	-47.8	179.5	0	0	0	0	0	111	Y353 V403 S405 A410 K411 I412	Y353-A408 HydrophobicContact CD2-CB 3.52Å; Y353-A408 HydrophobicContact CE2-CB 4.25Å; Y353-A408 HydrophobicContact CG-CB 3.85Å; V403-A408 HydrophobicContact CB-CB 4.19Å; V403-A408 HydrophobicContact CG1-CB 4.33Å; S405-A408 PolarHBondContact O-N 3.4Å; S405-A408 WeakPolarHBondContact OG-CB 3.43Å; S405-A408 PolarHBondContact OG-N 3.12Å; A408-A410 PolarHBondContact O-N 3.37Å; A408-K411 PolarHBondContact O-N 2.72Å; A408-I412 WeakPolarHBondContact O-CB 3.22Å; A408-I412 WeakPolarHBondContact O-CD1 3.32Å; A408-I412 WeakPolarHBondContact O-CG1 3.4Å; A408-I412 PolarHBondContact O-N 2.95Å
409	R	84.2	Confident	79.2	Confident	48 Å²	48	38.3 Å²	38.3	18%	0.181	19%	0.185	C	C	.	.	H	α-helix	trans	-57.1	-48	177	-73.5	-179.8	174.1	141.8	0.9	112.3	L400 V403 V404 S405 S406 R413 G531	L400-R409 HydrophobicContact CD2-CB 4.47Å; L400-R409 HydrophobicContact CD2-CG 4.43Å; V403-R409 HydrophobicContact CG2-CG 3.49Å; V403-R409 VanDerWaalsContact CG2-CG 3.49Å; V403-R409 PolarHBondContact O-NE 3.27Å; V403-R409 PolarHBondContact O-NH2 2.91Å; V404-R409 PolarHBondContact O-NH1 3.42Å; S405-R409 WeakPolarHBondContact O-CG 3.06Å; S405-R409 PolarHBondContact O-N 3.31Å; S405-R409 VanDerWaalsContact O-N 3.17Å; S406-R409 PolarHBondContact O-N 3.11Å; R409-R413 WeakPolarHBondContact O-CB 3.48Å; R409-R413 VanDerWaalsContact O-CG 3.3Å; R409-R413 WeakPolarHBondContact O-CG 3.11Å; R409-R413 PolarHBondContact O-N 2.97Å; R409-G531 VanDerWaalsContact NH2-CA 3.27Å; R409-G531 VanDerWaalsContact NH2-N 3.14Å
410	A	80.5	Confident	78.5	Confident	14 Å²	14	45 Å²	45	12%	0.116	22%	0.215	C	C	.	.	H	α-helix	trans	-58.7	-50.7	179.3	0	0	0	0	0	112.2	L307 S310 S406 K407 A408 R413 Q414	L307-A410 HydrophobicContact CD2-CB 4.03Å; S310-A410 VanDerWaalsContact OG-CB 3.24Å; S310-A410 WeakPolarHBondContact OG-CB 3.31Å; S406-A410 WeakPolarHBondContact O-CB 3.48Å; S406-A410 PolarHBondContact O-N 3.29Å; K407-A410 PolarHBondContact O-N 3Å; A408-A410 PolarHBondContact O-N 3.37Å; A410-R413 PolarHBondContact O-N 2.84Å; A410-Q414 WeakPolarHBondContact O-CB 3.39Å; A410-Q414 PolarHBondContact O-N 3.24Å
411	K	85.8	Confident	78.1	Confident	38 Å²	38	49.9 Å²	49.9	17%	0.165	23%	0.231	C	C	.	.	H	α-helix	trans	-68.1	-39.1	-178.7	-64.7	-60.5	-176.7	-174.9	0	112.4	Y353 T357 K407 A408 Q414 L415	Y353-K411 HydrophobicContact CD1-CB 3.85Å; Y353-K411 HydrophobicContact CD1-CG 4.25Å; Y353-K411 HydrophobicContact CE1-CB 3.55Å; Y353-K411 HydrophobicContact CE1-CG 4.39Å; T357-K411 HydrophobicContact CG2-CB 4.36Å; T357-K411 HydrophobicContact CG2-CD 4.07Å; T357-K411 HydrophobicContact CG2-CG 4.14Å; K407-K411 HydrophobicContact CG-CG 4.48Å; K407-K411 WeakPolarHBondContact O-CG 3.42Å; K407-K411 PolarHBondContact O-N 2.88Å; A408-K411 PolarHBondContact O-N 2.72Å; K411-Q414 PolarHBondContact O-N 3.41Å; K411-L415 PolarHBondContact O-N 2.87Å; K411-L415 VanDerWaalsContact O-N 3.1Å
412	I	84.4	Confident	78.1	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-60.2	-51.2	173.1	-65.6	163.2	0	0	0	109.6	Y353 P395 W399 L400 V403 A408 Q414 L415 L416	Y353-I412 HydrophobicContact CE2-CD1 3.86Å; Y353-I412 HydrophobicContact CE2-CG1 3.71Å; Y353-I412 WeakPolarHBondContact OH-CG1 3.33Å; P395-I412 HydrophobicContact CB-CG1 4.45Å; W399-I412 HydrophobicContact CB-CD1 4.06Å; W399-I412 HydrophobicContact CE3-CD1 4.24Å; L400-I412 HydrophobicContact CD1-CG2 4.27Å; L400-I412 HydrophobicContact CD2-CB 3.97Å; L400-I412 HydrophobicContact CD2-CD1 4.45Å; L400-I412 HydrophobicContact CD2-CG2 3.76Å; L400-I412 HydrophobicContact CG-CG2 3.79Å; V403-I412 HydrophobicContact CG1-CD1 4.05Å; V403-I412 HydrophobicContact CG2-CD1 4.09Å; A408-I412 WeakPolarHBondContact O-CB 3.22Å; A408-I412 WeakPolarHBondContact O-CD1 3.32Å; A408-I412 WeakPolarHBondContact O-CG1 3.4Å; A408-I412 PolarHBondContact O-N 2.95Å; I412-Q414 VanDerWaalsContact C-N 3.33Å; I412-Q414 PolarHBondContact O-N 2.89Å; I412-L415 WeakPolarHBondContact O-CB 3.24Å; I412-L415 PolarHBondContact O-N 2.71Å; I412-L416 HydrophobicContact CG2-CD1 4.02Å; I412-L416 HydrophobicContact CG2-CG 4.41Å; I412-L416 WeakPolarHBondContact O-CG 3.49Å; I412-L416 PolarHBondContact O-N 2.88Å
413	R	77.8	Confident	77.8	Confident	66 Å²	66	56.6 Å²	56.6	25%	0.249	27%	0.268	C	S	.	.	H	α-helix	trans	-60.1	-40.5	177.8	-75.8	174.5	175.6	-173.3	-9.9	112.9	E316 L400 R409 A410 L415 L416 K417 G472	E316-R413 IonicContact OE1-CZ 2.74Å; E316-R413 IonicContact OE1-NH1 2.74Å; E316-R413 PolarHBondContact OE1-NH1 3.36Å; E316-R413 IonicContact OE1-NH2 2.65Å; E316-R413 IonicContact OE2-NH1 3.89Å; L400-R413 HydrophobicContact CD1-CG 4.24Å; L400-R413 HydrophobicContact CD2-CG 4.09Å; R409-R413 WeakPolarHBondContact O-CB 3.48Å; R409-R413 VanDerWaalsContact O-CG 3.3Å; R409-R413 WeakPolarHBondContact O-CG 3.11Å; R409-R413 PolarHBondContact O-N 2.97Å; A410-R413 PolarHBondContact O-N 2.84Å; R413-L415 VanDerWaalsContact C-N 3.29Å; R413-L415 PolarHBondContact O-N 3.11Å; R413-L416 CarbonylContact O-C 3.57Å; R413-L416 PolarHBondContact O-N 2.9Å; R413-L416 VanDerWaalsContact O-N 3.15Å; R413-K417 WeakPolarHBondContact O-CG 3.44Å; R413-K417 PolarHBondContact O-N 2.97Å; R413-G472 PolarHBondContact NE-O 2.87Å; R413-G472 PolarHBondContact NH2-O 2.74Å
414	Q	79.7	Confident	77.4	Confident	90 Å²	90	56.7 Å²	56.7	42%	0.421	27%	0.269	S	S	.	.	H	α-helix	trans	-59	-42.4	176.9	-176	-178.4	1.9	0	0	111.4	A410 K411 I412 K417	A410-Q414 WeakPolarHBondContact O-CB 3.39Å; A410-Q414 PolarHBondContact O-N 3.24Å; K411-Q414 PolarHBondContact O-N 3.41Å; I412-Q414 VanDerWaalsContact C-N 3.33Å; I412-Q414 PolarHBondContact O-N 2.89Å; Q414-K417 PolarHBondContact O-N 2.63Å
415	L	78	Confident	77.5	Confident	59 Å²	59	56.9 Å²	56.9	31%	0.309	27%	0.27	S	S	.	.	H	α-helix	trans	-66	-40.2	175.8	-171	74.1	0	0	0	111.7	P395 K411 I412 R413 K417 N418	P395-L415 HydrophobicContact CB-CD2 4.17Å; P395-L415 HydrophobicContact CG-CD2 3.54Å; K411-L415 PolarHBondContact O-N 2.87Å; K411-L415 VanDerWaalsContact O-N 3.1Å; I412-L415 WeakPolarHBondContact O-CB 3.24Å; I412-L415 PolarHBondContact O-N 2.71Å; R413-L415 VanDerWaalsContact C-N 3.29Å; R413-L415 PolarHBondContact O-N 3.11Å; L415-K417 VanDerWaalsContact C-N 3.34Å; L415-N418 PolarHBondContact O-N 3.46Å
416	L	71.7	Confident	77.5	Confident	7 Å²	7	58.7 Å²	58.7	4%	0.037	28%	0.283	C	S	.	.	H	α-helix	trans	-66.6	-34	177.7	-62.6	175.8	0	0	0	112.5	A397 L400 I412 R413 N418 L419 L427 L471	A397-L416 HydrophobicContact CB-CD1 3.9Å; A397-L416 HydrophobicContact CB-CD2 3.94Å; L400-L416 HydrophobicContact CD1-CD1 3.73Å; I412-L416 HydrophobicContact CG2-CD1 4.02Å; I412-L416 HydrophobicContact CG2-CG 4.41Å; I412-L416 WeakPolarHBondContact O-CG 3.49Å; I412-L416 PolarHBondContact O-N 2.88Å; R413-L416 CarbonylContact O-C 3.57Å; R413-L416 PolarHBondContact O-N 2.9Å; R413-L416 VanDerWaalsContact O-N 3.15Å; L416-N418 PolarHBondContact O-N 2.91Å; L416-L419 HydrophobicContact CB-CD1 4.23Å; L416-L419 HydrophobicContact CD2-CD1 3.63Å; L416-L419 VanDerWaalsContact O-CB 3.24Å; L416-L419 WeakPolarHBondContact O-CB 3.47Å; L416-L419 WeakPolarHBondContact O-CG 3.33Å; L416-L419 PolarHBondContact O-N 3.45Å; L416-L427 HydrophobicContact CD2-CD2 3.68Å; L416-L471 WeakPolarHBondContact O-CD2 3.33Å
417	K	69.8	Low	77.3	Confident	86 Å²	86	59.1 Å²	59.1	37%	0.374	28%	0.284	S	S	.	.	H	α-helix	trans	-60.4	-26.6	176.4	-79.3	177.8	-179.9	177.9	0	113.7	S310 R413 Q414 L415 L419	S310-K417 PolarHBondContact O-NZ 3.39Å; S310-K417 VanDerWaalsContact O-NZ 3.08Å; R413-K417 WeakPolarHBondContact O-CG 3.44Å; R413-K417 PolarHBondContact O-N 2.97Å; Q414-K417 PolarHBondContact O-N 2.63Å; L415-K417 VanDerWaalsContact C-N 3.34Å; K417-L419 VanDerWaalsContact C-N 3.3Å
418	N	67.6	Low	77.3	Confident	134 Å²	134	55.8 Å²	55.8	72%	0.717	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-1.5	178.8	-68.4	-15.2	0	0	0	113.3	L415 L416	L415-N418 PolarHBondContact O-N 3.46Å; L416-N418 PolarHBondContact O-N 2.91Å
419	L	65.1	Low	77.2	Confident	47 Å²	47	59.8 Å²	59.8	25%	0.246	28%	0.284	C	S	.	.	S	Bend	trans	-67.6	135.6	172.3	-70.3	164.4	0	0	0	109.1	L416 K417 D423 S424 L427	L416-L419 HydrophobicContact CB-CD1 4.23Å; L416-L419 HydrophobicContact CD2-CD1 3.63Å; L416-L419 VanDerWaalsContact O-CB 3.24Å; L416-L419 WeakPolarHBondContact O-CB 3.47Å; L416-L419 WeakPolarHBondContact O-CG 3.33Å; L416-L419 PolarHBondContact O-N 3.45Å; K417-L419 VanDerWaalsContact C-N 3.3Å; L419-D423 HydrophobicContact CB-CB 4.03Å; L419-D423 HydrophobicContact CD2-CB 3.91Å; L419-S424 WeakPolarHBondContact CB-OG 3.24Å; L419-L427 HydrophobicContact CD1-CD2 3.58Å
420	K	69.4	Low	77	Confident	159 Å²	159	65.1 Å²	65.1	69%	0.691	31%	0.305	S	S	*	.			trans	-57.8	151	170.5	-69	-177.2	177.7	-178.6	0	108.4	D422 D423 S424	K420-D422 PolarHBondContact O-N 3.37Å; K420-D422 VanDerWaalsContact O-N 3.13Å; K420-D423 WeakPolarHBondContact O-CA 3.27Å; K420-D423 WeakPolarHBondContact O-CB 3.27Å; K420-D423 PolarHBondContact O-N 2.92Å; K420-S424 PolarHBondContact O-N 3.22Å; K420-S424 PolarHBondContact O-OG 3.34Å
421	R	72.3	Confident	76.8	Confident	129 Å²	129	65.4 Å²	65.4	49%	0.487	30%	0.304	S	S	.	.	H	α-helix	trans	-51.6	-41.9	-179	-176.4	163.2	165.3	99.2	2.1	112.2	D423 S424 V425 D464	R421-D423 VanDerWaalsContact C-N 3.35Å; R421-D423 PolarHBondContact O-N 2.7Å; R421-S424 WeakPolarHBondContact O-CB 3.27Å; R421-S424 PolarHBondContact O-N 3.43Å; R421-V425 VanDerWaalsContact O-CG2 3.29Å; R421-V425 WeakPolarHBondContact O-CG2 3.41Å; R421-V425 PolarHBondContact O-N 3.37Å; R421-D464 IonicContact CZ-OD1 2.69Å; R421-D464 VanDerWaalsContact CZ-OD1 3.28Å; R421-D464 IonicContact NH1-OD1 2.82Å; R421-D464 PolarHBondContact NH1-OD1 2.77Å; R421-D464 IonicContact NH2-OD1 3.17Å; R421-D464 PolarHBondContact NH2-OD1 3.46Å
422	D	73.2	Confident	76.7	Confident	129 Å²	129	63.6 Å²	63.6	69%	0.69	30%	0.296	S	S	*	.	H	α-helix	trans	-61.9	-39.7	175.9	-58.4	-22	0	0	0	112.7	K420 V425 S426	K420-D422 PolarHBondContact O-N 3.37Å; K420-D422 VanDerWaalsContact O-N 3.13Å; D422-V425 PolarHBondContact O-N 2.92Å; D422-S426 WeakPolarHBondContact O-CB 3.35Å; D422-S426 PolarHBondContact O-N 3.32Å
423	D	76.1	Confident	76.5	Confident	77 Å²	77	66.7 Å²	66.7	41%	0.412	31%	0.313	S	S	.	.	H	α-helix	trans	-66.6	-43.1	175.8	-64.5	-34	0	0	0	110.9	L419 K420 R421 S426 L427	L419-D423 HydrophobicContact CB-CB 4.03Å; L419-D423 HydrophobicContact CD2-CB 3.91Å; K420-D423 WeakPolarHBondContact O-CA 3.27Å; K420-D423 WeakPolarHBondContact O-CB 3.27Å; K420-D423 PolarHBondContact O-N 2.92Å; R421-D423 VanDerWaalsContact C-N 3.35Å; R421-D423 PolarHBondContact O-N 2.7Å; D423-S426 PolarHBondContact O-N 2.9Å; D423-S426 PolarHBondContact O-OG 2.89Å; D423-L427 VanDerWaalsContact O-CB 3.29Å; D423-L427 WeakPolarHBondContact O-CB 3.3Å; D423-L427 PolarHBondContact O-N 2.83Å
424	S	76.9	Confident	76.3	Confident	2 Å²	2	70.8 Å²	70.8	1%	0.014	33%	0.334	C	S	.	.	H	α-helix	trans	-61.4	-44.3	176	-63.2	0	0	0	0	111.6	L419 K420 R421 L427 G428 G470	L419-S424 WeakPolarHBondContact CB-OG 3.24Å; K420-S424 PolarHBondContact O-N 3.22Å; K420-S424 PolarHBondContact O-OG 3.34Å; R421-S424 WeakPolarHBondContact O-CB 3.27Å; R421-S424 PolarHBondContact O-N 3.43Å; S424-L427 PolarHBondContact O-N 3.1Å; S424-G428 PolarHBondContact O-N 2.95Å; S424-G470 WeakPolarHBondContact O-CA 3.41Å
425	V	83	Confident	76	Confident	16 Å²	16	67.1 Å²	67.1	10%	0.097	32%	0.319	C	S	.	.	H	α-helix	trans	-62	-45.2	174.6	172.5	0	0	0	0	110.7	R421 D422 L427 G428 R429 D463 L466 A467	R421-V425 VanDerWaalsContact O-CG2 3.29Å; R421-V425 WeakPolarHBondContact O-CG2 3.41Å; R421-V425 PolarHBondContact O-N 3.37Å; D422-V425 PolarHBondContact O-N 2.92Å; V425-L427 VanDerWaalsContact C-N 3.31Å; V425-L427 PolarHBondContact O-N 3.45Å; V425-G428 PolarHBondContact O-N 3.18Å; V425-R429 VanDerWaalsContact O-CB 3.3Å; V425-R429 WeakPolarHBondContact O-CB 3.32Å; V425-R429 PolarHBondContact O-N 3.4Å; V425-D463 HydrophobicContact CG1-CB 4.43Å; V425-D463 HydrophobicContact CG2-CB 4.07Å; V425-D463 WeakPolarHBondContact CG2-O 3.39Å; V425-L466 HydrophobicContact CG1-CB 4.1Å; V425-L466 HydrophobicContact CG1-CD1 4.01Å; V425-A467 HydrophobicContact CG2-CB 4.11Å
426	S	81.6	Confident	75.8	Confident	48 Å²	48	64.5 Å²	64.5	34%	0.336	31%	0.306	S	S	.	.	H	α-helix	trans	-62.2	-38.6	178.4	84.8	0	0	0	0	112.5	D422 D423 R430	D422-S426 WeakPolarHBondContact O-CB 3.35Å; D422-S426 PolarHBondContact O-N 3.32Å; D423-S426 PolarHBondContact O-N 2.9Å; D423-S426 PolarHBondContact O-OG 2.89Å; S426-R430 WeakPolarHBondContact O-CG 3.4Å; S426-R430 PolarHBondContact O-N 3.49Å; S426-R430 VanDerWaalsContact O-N 3.16Å; S426-R430 PolarHBondContact O-NE 3.39Å
427	L	76.7	Confident	75.5	Confident	23 Å²	23	65.2 Å²	65.2	12%	0.12	32%	0.315	C	S	.	.	H	α-helix	trans	-72.9	-47	179.6	179.4	60.5	0	0	0	110.7	A397 L416 L419 D423 S424 V425 R429 R430 L431	A397-L427 HydrophobicContact CB-CD1 4.22Å; A397-L427 HydrophobicContact CB-CD2 3.87Å; A397-L427 HydrophobicContact CB-CG 4.25Å; L416-L427 HydrophobicContact CD2-CD2 3.68Å; L419-L427 HydrophobicContact CD1-CD2 3.58Å; D423-L427 VanDerWaalsContact O-CB 3.29Å; D423-L427 WeakPolarHBondContact O-CB 3.3Å; D423-L427 PolarHBondContact O-N 2.83Å; S424-L427 PolarHBondContact O-N 3.1Å; V425-L427 VanDerWaalsContact C-N 3.31Å; V425-L427 PolarHBondContact O-N 3.45Å; L427-R429 VanDerWaalsContact C-N 3.25Å; L427-R429 PolarHBondContact O-N 3.2Å; L427-R430 WeakPolarHBondContact O-CB 3.27Å; L427-R430 PolarHBondContact O-N 3.46Å; L427-R430 VanDerWaalsContact O-N 3.08Å; L427-L431 HydrophobicContact CD1-CD1 4.42Å; L427-L431 HydrophobicContact CD1-CG 4.36Å; L427-L431 HydrophobicContact CG-CD1 4.11Å; L427-L431 HydrophobicContact CG-CG 4.49Å; L427-L431 WeakPolarHBondContact O-CG 3.42Å; L427-L431 PolarHBondContact O-N 3.07Å
428	G	81.8	Confident	74.9	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-57.4	-40.8	174.8	0	0	0	0	0	112	S424 V425 R430 L431 L432 L466	S424-G428 PolarHBondContact O-N 2.95Å; V425-G428 PolarHBondContact O-N 3.18Å; G428-R430 PolarHBondContact O-N 2.9Å; G428-L431 PolarHBondContact O-N 2.85Å; G428-L432 WeakPolarHBondContact O-CB 3.26Å; G428-L432 PolarHBondContact O-N 2.88Å; G428-L466 VanDerWaalsContact CA-O 3.32Å; G428-L466 WeakPolarHBondContact CA-O 3.16Å
429	R	85.7	Confident	74.3	Confident	83 Å²	83	64.2 Å²	64.2	31%	0.313	34%	0.344	S	S	.	.	H	α-helix	trans	-61	-43.7	174.4	-170.8	175.7	-67.2	-98	-0.9	112	V425 L427 N433 L442 D463 L466	V425-R429 VanDerWaalsContact O-CB 3.3Å; V425-R429 WeakPolarHBondContact O-CB 3.32Å; V425-R429 PolarHBondContact O-N 3.4Å; L427-R429 VanDerWaalsContact C-N 3.25Å; L427-R429 PolarHBondContact O-N 3.2Å; R429-N433 VanDerWaalsContact O-CB 3.27Å; R429-N433 WeakPolarHBondContact O-CB 3.29Å; R429-N433 PolarHBondContact O-N 2.95Å; R429-N433 PolarHBondContact O-ND2 3.41Å; R429-L442 HydrophobicContact CG-CD2 4.42Å; R429-D463 IonicContact NH2-OD1 3.9Å; R429-L466 HydrophobicContact CB-CD1 4.21Å; R429-L466 HydrophobicContact CB-CD2 4.27Å
430	R	79.6	Confident	74	Confident	160 Å²	160	68 Å²	68	60%	0.604	36%	0.355	S	S	*	.	H	α-helix	trans	-63.8	-47.2	175.9	-76.5	-177.5	-75.2	167.4	-6	112.1	S426 L427 G428 L432 N433 H434	S426-R430 WeakPolarHBondContact O-CG 3.4Å; S426-R430 PolarHBondContact O-N 3.49Å; S426-R430 VanDerWaalsContact O-N 3.16Å; S426-R430 PolarHBondContact O-NE 3.39Å; L427-R430 WeakPolarHBondContact O-CB 3.27Å; L427-R430 PolarHBondContact O-N 3.46Å; L427-R430 VanDerWaalsContact O-N 3.08Å; G428-R430 PolarHBondContact O-N 2.9Å; R430-L432 VanDerWaalsContact C-N 3.34Å; R430-L432 PolarHBondContact O-N 3.1Å; R430-N433 PolarHBondContact O-N 3.2Å; R430-H434 WeakPolarHBondContact O-CB 3.13Å; R430-H434 PolarHBondContact O-N 2.71Å
431	L	76.8	Confident	74	Confident	20 Å²	20	67.2 Å²	67.2	11%	0.105	35%	0.352	C	S	.	.	H	α-helix	trans	-63.8	-39.9	179	-68.6	170.6	0	0	0	112.2	A397 A398 L427 G428 A435 I469 S476	A397-L431 HydrophobicContact CB-CD1 3.7Å; A397-L431 HydrophobicContact CB-CD2 4.23Å; A397-L431 HydrophobicContact CB-CG 4.46Å; A398-L431 HydrophobicContact CB-CD2 4.02Å; L427-L431 HydrophobicContact CD1-CD1 4.42Å; L427-L431 HydrophobicContact CD1-CG 4.36Å; L427-L431 HydrophobicContact CG-CD1 4.11Å; L427-L431 HydrophobicContact CG-CG 4.49Å; L427-L431 WeakPolarHBondContact O-CG 3.42Å; L427-L431 PolarHBondContact O-N 3.07Å; G428-L431 PolarHBondContact O-N 2.85Å; L431-A435 VanDerWaalsContact O-CB 3.25Å; L431-A435 WeakPolarHBondContact O-CB 3.16Å; L431-A435 PolarHBondContact O-N 3.38Å; L431-I469 HydrophobicContact CB-CG2 3.92Å; L431-I469 HydrophobicContact CD1-CG2 4.02Å; L431-S476 WeakPolarHBondContact O-CB 3.1Å; L431-S476 PolarHBondContact O-OG 2.82Å
432	L	83.2	Confident	74	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-69.6	-46.4	178	-174.4	64.1	0	0	0	111	G428 R430 H434 A435 L436 L442 L466 I469 V479 A480 L483	G428-L432 WeakPolarHBondContact O-CB 3.26Å; G428-L432 PolarHBondContact O-N 2.88Å; R430-L432 VanDerWaalsContact C-N 3.34Å; R430-L432 PolarHBondContact O-N 3.1Å; L432-H434 VanDerWaalsContact C-N 3.31Å; L432-H434 PolarHBondContact O-N 3.24Å; L432-A435 CarbonylContact O-C 3.55Å; L432-A435 PolarHBondContact O-N 2.85Å; L432-A435 VanDerWaalsContact O-N 3.09Å; L432-L436 HydrophobicContact CG-CD1 4.1Å; L432-L436 HydrophobicContact CG-CG 4.41Å; L432-L436 WeakPolarHBondContact O-CB 3.31Å; L432-L436 VanDerWaalsContact O-CG 3.27Å; L432-L436 WeakPolarHBondContact O-CG 3.26Å; L432-L436 PolarHBondContact O-N 3.09Å; L432-L442 HydrophobicContact CD2-CD1 3.64Å; L432-L442 HydrophobicContact CD2-CD2 4.31Å; L432-L466 HydrophobicContact CB-CD2 4.38Å; L432-L466 HydrophobicContact CD2-CD2 3.67Å; L432-I469 HydrophobicContact CB-CD1 4.13Å; L432-I469 HydrophobicContact CD1-CD1 3.97Å; L432-I469 HydrophobicContact CD2-CD1 4.18Å; L432-I469 HydrophobicContact CG-CD1 4.33Å; L432-V479 HydrophobicContact CD1-CB 4.11Å; L432-V479 HydrophobicContact CD1-CG1 3.88Å; L432-A480 HydrophobicContact CD1-CB 3.84Å; L432-L483 HydrophobicContact CD1-CD1 4.11Å; L432-L483 HydrophobicContact CD2-CD1 3.82Å; L432-L483 HydrophobicContact CG-CD1 4.46Å
433	N	80.6	Confident	74	Confident	65 Å²	65	61.9 Å²	61.9	35%	0.348	33%	0.333	S	S	.	.	H	α-helix	trans	-60.4	-40.7	175.1	-76.5	-24.8	0	0	0	112.1	R429 R430 A435 L436	R429-N433 VanDerWaalsContact O-CB 3.27Å; R429-N433 WeakPolarHBondContact O-CB 3.29Å; R429-N433 PolarHBondContact O-N 2.95Å; R429-N433 PolarHBondContact O-ND2 3.41Å; R430-N433 PolarHBondContact O-N 3.2Å; N433-A435 VanDerWaalsContact C-N 3.31Å; N433-A435 PolarHBondContact O-N 3.2Å; N433-L436 PolarHBondContact O-N 2.77Å
434	H	74.1	Confident	73.9	Confident	152 Å²	152	63.5 Å²	63.5	70%	0.704	34%	0.338	S	S	*	.	H	α-helix	trans	-62.1	-42	173.9	-177.7	-75.2	0	0	0	111.2	R430 L432 G437	R430-H434 WeakPolarHBondContact O-CB 3.13Å; R430-H434 PolarHBondContact O-N 2.71Å; L432-H434 VanDerWaalsContact C-N 3.31Å; L432-H434 PolarHBondContact O-N 3.24Å; H434-G437 PolarHBondContact O-N 3.29Å
435	A	71.9	Confident	74	Confident	13 Å²	13	64 Å²	64	11%	0.107	34%	0.34	C	S	.	.	H	α-helix	trans	-74.9	-26	-179.8	0	0	0	0	0	114.5	L431 L432 N433 G437 V477 A480	L431-A435 VanDerWaalsContact O-CB 3.25Å; L431-A435 WeakPolarHBondContact O-CB 3.16Å; L431-A435 PolarHBondContact O-N 3.38Å; L432-A435 CarbonylContact O-C 3.55Å; L432-A435 PolarHBondContact O-N 2.85Å; L432-A435 VanDerWaalsContact O-N 3.09Å; N433-A435 VanDerWaalsContact C-N 3.31Å; N433-A435 PolarHBondContact O-N 3.2Å; A435-G437 PolarHBondContact O-N 2.88Å; A435-V477 HydrophobicContact CB-CB 4.17Å; A435-V477 HydrophobicContact CB-CG2 3.64Å; A435-A480 HydrophobicContact CB-CB 3.74Å
436	L	75.5	Confident	74	Confident	5 Å²	5	66.2 Å²	66.2	3%	0.026	36%	0.355	C	S	.	.	H	α-helix	trans	-67.8	-16.9	173.5	-75.7	165.8	0	0	0	112.2	L432 N433 I445 A480 Q484	L432-L436 HydrophobicContact CG-CD1 4.1Å; L432-L436 HydrophobicContact CG-CG 4.41Å; L432-L436 WeakPolarHBondContact O-CB 3.31Å; L432-L436 VanDerWaalsContact O-CG 3.27Å; L432-L436 WeakPolarHBondContact O-CG 3.26Å; L432-L436 PolarHBondContact O-N 3.09Å; N433-L436 PolarHBondContact O-N 2.77Å; L436-I445 HydrophobicContact CD1-CD1 3.82Å; L436-I445 HydrophobicContact CD2-CD1 3.67Å; L436-I445 HydrophobicContact CG-CD1 4.43Å; L436-A480 HydrophobicContact CD2-CB 3.84Å; L436-A480 WeakPolarHBondContact CD2-O 3.36Å; L436-A480 HydrophobicContact CG-CB 3.93Å; L436-Q484 HydrophobicContact CD2-CG 3.76Å; L436-Q484 PolarHBondContact O-NE2 3.49Å
437	G	64.7	Low	74	Confident	22 Å²	22	71.7 Å²	71.7	23%	0.227	38%	0.376	C	S	.	.			trans	71.4	152.3	-170	0	0	0	0	0	110.8	H434 A435 S439 R440	H434-G437 PolarHBondContact O-N 3.29Å; A435-G437 PolarHBondContact O-N 2.88Å; G437-S439 PolarHBondContact O-N 2.88Å; G437-R440 PolarHBondContact O-N 3.47Å
438	G	58	Low	74.3	Confident	96 Å²	96	78 Å²	78	99%	0.99	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-2.9	-174.5	0	0	0	0	0	116.1
439	S	54.4	Low	74.3	Confident	102 Å²	102	78.9 Å²	78.9	71%	0.713	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-15.5	-175.3	41.3	0	0	0	0	115.1	G437	G437-S439 PolarHBondContact O-N 2.88Å
440	R	59.2	Low	74.3	Confident	127 Å²	127	76 Å²	76	48%	0.479	40%	0.4	S	S	.	.			trans	-143.6	131.8	170.3	-71.4	-169.9	180	172.1	0.7	113.1	G437 E444	G437-R440 PolarHBondContact O-N 3.47Å; R440-E444 VanDerWaalsContact CA-OE2 3.27Å; R440-E444 WeakPolarHBondContact CA-OE2 3.32Å
441	K	68.7	Low	74.6	Confident	143 Å²	143	72.5 Å²	72.5	62%	0.622	39%	0.39	S	S	*	.			trans	-83.3	153	171.6	-67.9	178.8	-178.5	173.2	0	110.3	N443 E444	K441-N443 PolarHBondContact O-N 3.35Å; K441-E444 HydrophobicContact CB-CG 4.37Å; K441-E444 PolarHBondContact N-OE2 3.28Å; K441-E444 WeakPolarHBondContact O-CB 3.36Å; K441-E444 PolarHBondContact O-N 2.95Å
442	L	72.7	Confident	74.9	Confident	5 Å²	5	75.5 Å²	75.5	3%	0.026	40%	0.4	C	S	.	.	G	3₁₀ helix	trans	-51.3	-31.3	175.7	-173.1	59.2	0	0	0	113.4	R429 L432 E444 I445 L462 L466 L483	R429-L442 HydrophobicContact CG-CD2 4.42Å; L432-L442 HydrophobicContact CD2-CD1 3.64Å; L432-L442 HydrophobicContact CD2-CD2 4.31Å; L442-E444 VanDerWaalsContact C-N 3.26Å; L442-E444 PolarHBondContact O-N 3.4Å; L442-I445 HydrophobicContact CD1-CD1 3.98Å; L442-I445 PolarHBondContact O-N 2.86Å; L442-L462 HydrophobicContact CD1-CD1 4.44Å; L442-L462 HydrophobicContact CD2-CD1 4.46Å; L442-L462 HydrophobicContact CD2-CD2 4.12Å; L442-L462 HydrophobicContact CG-CD2 4.42Å; L442-L466 HydrophobicContact CD2-CD1 4.2Å; L442-L466 HydrophobicContact CD2-CD2 4.14Å; L442-L483 HydrophobicContact CD1-CD1 4.29Å
443	N	73.9	Confident	74.9	Confident	141 Å²	141	75.6 Å²	75.6	75%	0.754	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-73.3	-14.5	179.1	-59.3	2.7	0	0	0	113.7	K441	K441-N443 PolarHBondContact O-N 3.35Å
444	E	74	Confident	75.3	Confident	110 Å²	110	72.7 Å²	72.7	51%	0.514	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-96.6	-2.8	-179.4	-62.7	164.9	-176.9	0	0	111.8	R440 K441 L442	R440-E444 VanDerWaalsContact CA-OE2 3.27Å; R440-E444 WeakPolarHBondContact CA-OE2 3.32Å; K441-E444 HydrophobicContact CB-CG 4.37Å; K441-E444 PolarHBondContact N-OE2 3.28Å; K441-E444 WeakPolarHBondContact O-CB 3.36Å; K441-E444 PolarHBondContact O-N 2.95Å; L442-E444 VanDerWaalsContact C-N 3.26Å; L442-E444 PolarHBondContact O-N 3.4Å
445	I	78.4	Confident	75.8	Confident	12 Å²	12	70.3 Å²	70.3	6%	0.062	38%	0.377	C	S	.	.	S	Bend	trans	-79.1	128.3	177.1	-57.5	-171	0	0	0	108.5	L436 L442 Q447 N449 I450 L483	L436-I445 HydrophobicContact CD1-CD1 3.82Å; L436-I445 HydrophobicContact CD2-CD1 3.67Å; L436-I445 HydrophobicContact CG-CD1 4.43Å; L442-I445 HydrophobicContact CD1-CD1 3.98Å; L442-I445 PolarHBondContact O-N 2.86Å; I445-Q447 PolarHBondContact O-N 2.85Å; I445-N449 HydrophobicContact CG2-CB 4.08Å; I445-I450 HydrophobicContact CB-CD1 4.4Å; I445-I450 HydrophobicContact CB-CG1 4.44Å; I445-I450 HydrophobicContact CG2-CD1 4.41Å; I445-I450 HydrophobicContact CG2-CG1 3.93Å; I445-L483 HydrophobicContact CD1-CB 3.76Å; I445-L483 HydrophobicContact CD1-CD1 4.05Å; I445-L483 HydrophobicContact CG2-CB 4.06Å; I445-L483 WeakPolarHBondContact CG2-O 3.48Å
446	P	81.8	Confident	76.4	Confident	64 Å²	64	74.9 Å²	74.9	42%	0.416	39%	0.392	S	S	.	.			trans	-54	133.7	175.7	-25.7	34	0	0	0	111.6	E448 N449 I450	P446-E448 PolarHBondContact O-N 3.3Å; P446-E448 VanDerWaalsContact O-N 3.11Å; P446-N449 WeakPolarHBondContact O-CB 3.27Å; P446-N449 PolarHBondContact O-N 3.21Å; P446-I450 PolarHBondContact O-N 3.14Å
447	Q	83.1	Confident	76.6	Confident	162 Å²	162	77.4 Å²	77.4	76%	0.757	40%	0.404	S	S	*	.	H	α-helix	trans	-58.3	-29	-178.4	-167.6	172.3	-4.7	0	0	112.3	I445 N449 I450 Q451	I445-Q447 PolarHBondContact O-N 2.85Å; Q447-N449 PolarHBondContact O-N 3.44Å; Q447-I450 PolarHBondContact O-N 3.1Å; Q447-Q451 PolarHBondContact O-N 2.93Å
448	E	81.9	Confident	77.6	Confident	157 Å²	157	85.3 Å²	85.3	73%	0.734	43%	0.433	S	S	*	.	H	α-helix	trans	-60.5	-41.2	173	-64.3	177.8	-178.2	0	0	113.2	P446 Q451 R452	P446-E448 PolarHBondContact O-N 3.3Å; P446-E448 VanDerWaalsContact O-N 3.11Å; E448-Q451 PolarHBondContact O-N 2.99Å; E448-R452 WeakPolarHBondContact O-CB 3.47Å; E448-R452 PolarHBondContact O-N 2.97Å
449	N	83.2	Confident	78.9	Confident	18 Å²	18	82.4 Å²	82.4	10%	0.096	39%	0.394	C	S	.	.	H	α-helix	trans	-70.2	-36.2	178.2	-73.1	-14.5	0	0	0	111.4	I445 P446 Q447 R452 E453 L483	I445-N449 HydrophobicContact CG2-CB 4.08Å; P446-N449 WeakPolarHBondContact O-CB 3.27Å; P446-N449 PolarHBondContact O-N 3.21Å; Q447-N449 PolarHBondContact O-N 3.44Å; N449-R452 PolarHBondContact OD1-NH1 3.3Å; N449-R452 PolarHBondContact OD1-NH2 2.92Å; N449-E453 PolarHBondContact O-N 3.24Å; N449-E453 VanDerWaalsContact O-N 3.16Å; N449-L483 VanDerWaalsContact CB-O 3.25Å; N449-L483 WeakPolarHBondContact CB-O 3.29Å; N449-L483 PolarHBondContact ND2-O 3.5Å
450	I	85.5	Confident	80.3	Confident	23 Å²	23	81.4 Å²	81.4	12%	0.118	39%	0.392	C	S	.	.	H	α-helix	trans	-62.6	-50.1	173.2	-63	172.5	0	0	0	109.4	I445 P446 Q447 R452 E453 L454 L462 L483	I445-I450 HydrophobicContact CB-CD1 4.4Å; I445-I450 HydrophobicContact CB-CG1 4.44Å; I445-I450 HydrophobicContact CG2-CD1 4.41Å; I445-I450 HydrophobicContact CG2-CG1 3.93Å; P446-I450 PolarHBondContact O-N 3.14Å; Q447-I450 PolarHBondContact O-N 3.1Å; I450-R452 VanDerWaalsContact C-N 3.33Å; I450-R452 PolarHBondContact O-N 3.09Å; I450-E453 PolarHBondContact O-N 3.44Å; I450-E453 VanDerWaalsContact O-N 3.16Å; I450-L454 HydrophobicContact CG2-CD1 3.99Å; I450-L454 HydrophobicContact CG2-CG 4.33Å; I450-L454 VanDerWaalsContact O-CG 3.32Å; I450-L454 WeakPolarHBondContact O-CG 3.45Å; I450-L454 PolarHBondContact O-N 3.25Å; I450-L462 HydrophobicContact CG2-CB 4.4Å; I450-L462 HydrophobicContact CG2-CD1 4.05Å; I450-L483 HydrophobicContact CB-CD2 4.36Å; I450-L483 HydrophobicContact CG1-CD2 3.99Å
451	Q	84.5	Confident	81.7	Confident	85 Å²	85	78.3 Å²	78.3	40%	0.397	39%	0.387	S	S	.	.	H	α-helix	trans	-60.6	-42.2	-179.4	-169.3	59.9	44	0	0	112	Q447 E448 E453 L454 D455	Q447-Q451 PolarHBondContact O-N 2.93Å; E448-Q451 PolarHBondContact O-N 2.99Å; Q451-E453 VanDerWaalsContact C-N 3.31Å; Q451-E453 PolarHBondContact O-N 2.86Å; Q451-L454 WeakPolarHBondContact O-CB 3.47Å; Q451-L454 PolarHBondContact O-N 3.36Å; Q451-D455 PolarHBondContact NE2-OD1 3.5Å; Q451-D455 PolarHBondContact O-N 3.16Å
452	R	82.8	Confident	82.6	Confident	84 Å²	84	73.6 Å²	73.6	32%	0.317	37%	0.369	S	S	.	.	H	α-helix	trans	-59.9	-41.6	176.2	-175.2	-178.9	64.3	-125.1	-3.1	112.4	E448 N449 I450 D455 R456 N482 H485	E448-R452 WeakPolarHBondContact O-CB 3.47Å; E448-R452 PolarHBondContact O-N 2.97Å; N449-R452 PolarHBondContact OD1-NH1 3.3Å; N449-R452 PolarHBondContact OD1-NH2 2.92Å; I450-R452 VanDerWaalsContact C-N 3.33Å; I450-R452 PolarHBondContact O-N 3.09Å; R452-D455 PolarHBondContact O-N 3.1Å; R452-R456 WeakPolarHBondContact O-CB 3.48Å; R452-R456 PolarHBondContact O-N 3.43Å; R452-N482 PolarHBondContact NH2-O 3.06Å; R452-H485 PolarHBondContact NH2-O 2.96Å
453	E	84.5	Confident	83.3	Confident	1 Å²	1	76.9 Å²	76.9	1%	0.005	39%	0.386	C	S	.	.	H	α-helix	trans	-68.9	-38.2	178.7	-167.7	70.3	168	0	0	111.6	N449 I450 Q451 R456 M457 L465 V479 N482 L483	N449-E453 PolarHBondContact O-N 3.24Å; N449-E453 VanDerWaalsContact O-N 3.16Å; I450-E453 PolarHBondContact O-N 3.44Å; I450-E453 VanDerWaalsContact O-N 3.16Å; Q451-E453 VanDerWaalsContact C-N 3.31Å; Q451-E453 PolarHBondContact O-N 2.86Å; E453-R456 VanDerWaalsContact CD-NH1 3.33Å; E453-R456 VanDerWaalsContact CD-NH2 3.29Å; E453-R456 PolarHBondContact O-N 2.87Å; E453-R456 IonicContact OE1-CZ 3.14Å; E453-R456 IonicContact OE1-NH1 3.22Å; E453-R456 PolarHBondContact OE1-NH1 3.17Å; E453-R456 IonicContact OE1-NH2 2.65Å; E453-R456 PolarHBondContact OE1-NH2 3.08Å; E453-R456 IonicContact OE2-CZ 3.02Å; E453-R456 IonicContact OE2-NE 3.64Å; E453-R456 IonicContact OE2-NH1 2.68Å; E453-R456 PolarHBondContact OE2-NH1 3.4Å; E453-R456 IonicContact OE2-NH2 3.43Å; E453-R456 PolarHBondContact OE2-NH2 3.3Å; E453-M457 WeakPolarHBondContact O-CB 3.41Å; E453-M457 WeakPolarHBondContact O-CG 3.45Å; E453-M457 PolarHBondContact O-N 2.62Å; E453-L465 HydrophobicContact CG-CD1 4.34Å; E453-L465 HydrophobicContact CG-CD2 4.13Å; E453-V479 HydrophobicContact CG-CG1 4.17Å; E453-N482 VanDerWaalsContact CD-CB 3.48Å; E453-N482 WeakPolarHBondContact OE1-CB 3.39Å; E453-N482 PolarHBondContact OE1-ND2 3.05Å; E453-N482 WeakPolarHBondContact OE2-CB 3.25Å; E453-L483 HydrophobicContact CB-CD2 3.8Å; E453-L483 HydrophobicContact CG-CD2 4.2Å
454	L	88.4	Confident	83.9	Confident	5 Å²	5	71.7 Å²	71.7	3%	0.026	36%	0.359	C	S	.	.	H	α-helix	trans	-60.5	-48.3	172.2	-68.9	176.5	0	0	0	111.4	I450 Q451 R456 M457 K458 L459 T461 L465	I450-L454 HydrophobicContact CG2-CD1 3.99Å; I450-L454 HydrophobicContact CG2-CG 4.33Å; I450-L454 VanDerWaalsContact O-CG 3.32Å; I450-L454 WeakPolarHBondContact O-CG 3.45Å; I450-L454 PolarHBondContact O-N 3.25Å; Q451-L454 WeakPolarHBondContact O-CB 3.47Å; Q451-L454 PolarHBondContact O-N 3.36Å; L454-R456 PolarHBondContact O-N 3.21Å; L454-M457 CarbonylContact O-C 3.49Å; L454-M457 PolarHBondContact O-N 3.4Å; L454-K458 WeakPolarHBondContact O-CA 3.49Å; L454-K458 PolarHBondContact O-N 2.85Å; L454-L459 HydrophobicContact CD2-CB 3.75Å; L454-L459 PolarHBondContact O-N 3.07Å; L454-T461 WeakPolarHBondContact CD2-O 3.33Å; L454-L465 HydrophobicContact CD2-CB 3.79Å; L454-L465 HydrophobicContact CD2-CD2 4.46Å
455	D	84.2	Confident	84.7	Confident	101 Å²	101	66.5 Å²	66.5	54%	0.54	33%	0.334	S	S	.	.	H	α-helix	trans	-62.7	-42.8	178.7	-66	-17.3	0	0	0	111.4	Q451 R452 M457 K458	Q451-D455 PolarHBondContact NE2-OD1 3.5Å; Q451-D455 PolarHBondContact O-N 3.16Å; R452-D455 PolarHBondContact O-N 3.1Å; D455-M457 VanDerWaalsContact C-N 3.32Å; D455-M457 PolarHBondContact O-N 3.39Å; D455-K458 PolarHBondContact O-N 3.29Å; D455-K458 VanDerWaalsContact O-N 3.17Å
456	R	84.1	Confident	85.1	Confident	110 Å²	110	65.9 Å²	65.9	42%	0.415	33%	0.331	S	S	.	.	H	α-helix	trans	-61.9	-41.5	177.8	-166.6	-164.8	75.8	-160.9	5.9	111.8	R452 E453 L454 K458 N482	R452-R456 WeakPolarHBondContact O-CB 3.48Å; R452-R456 PolarHBondContact O-N 3.43Å; E453-R456 VanDerWaalsContact CD-NH1 3.33Å; E453-R456 VanDerWaalsContact CD-NH2 3.29Å; E453-R456 PolarHBondContact O-N 2.87Å; E453-R456 IonicContact OE1-CZ 3.14Å; E453-R456 IonicContact OE1-NH1 3.22Å; E453-R456 PolarHBondContact OE1-NH1 3.17Å; E453-R456 IonicContact OE1-NH2 2.65Å; E453-R456 PolarHBondContact OE1-NH2 3.08Å; E453-R456 IonicContact OE2-CZ 3.02Å; E453-R456 IonicContact OE2-NE 3.64Å; E453-R456 IonicContact OE2-NH1 2.68Å; E453-R456 PolarHBondContact OE2-NH1 3.4Å; E453-R456 IonicContact OE2-NH2 3.43Å; E453-R456 PolarHBondContact OE2-NH2 3.3Å; L454-R456 PolarHBondContact O-N 3.21Å; R456-K458 VanDerWaalsContact C-N 3.31Å; R456-N482 PolarHBondContact NH1-ND2 3.25Å; R456-N482 PolarHBondContact NH2-ND2 2.82Å; R456-N482 VanDerWaalsContact NH2-ND2 3.14Å
457	M	81.6	Confident	85.1	Confident	57 Å²	57	63 Å²	63	28%	0.281	31%	0.313	S	S	.	.	H	α-helix	trans	-86.8	-2.5	179.2	-64	-164.1	61.6	0	0	113.3	E453 L454 D455 L459 L465 A474 V479	E453-M457 WeakPolarHBondContact O-CB 3.41Å; E453-M457 WeakPolarHBondContact O-CG 3.45Å; E453-M457 PolarHBondContact O-N 2.62Å; L454-M457 CarbonylContact O-C 3.49Å; L454-M457 PolarHBondContact O-N 3.4Å; D455-M457 VanDerWaalsContact C-N 3.32Å; D455-M457 PolarHBondContact O-N 3.39Å; M457-L459 VanDerWaalsContact C-N 3.34Å; M457-L459 HydrophobicContact CB-CD1 3.8Å; M457-L459 HydrophobicContact CB-CG 3.84Å; M457-L459 HydrophobicContact CE-CD1 4.43Å; M457-L465 HydrophobicContact CE-CD1 4.46Å; M457-L465 HydrophobicContact SD-CD1 3.56Å; M457-L465 VanDerWaalsContact SD-CD1 3.56Å; M457-A474 HydrophobicContact CE-CB 3.77Å; M457-V479 HydrophobicContact SD-CG2 4.29Å
458	K	84	Confident	85.1	Confident	189 Å²	189	57.9 Å²	57.9	82%	0.822	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	43.7	-175.7	-54.3	178.6	-179.5	178.2	0	112.8	L454 D455 R456	L454-K458 WeakPolarHBondContact O-CA 3.49Å; L454-K458 PolarHBondContact O-N 2.85Å; D455-K458 PolarHBondContact O-N 3.29Å; D455-K458 VanDerWaalsContact O-N 3.17Å; R456-K458 VanDerWaalsContact C-N 3.31Å
459	L	86.9	Confident	85.1	Confident	34 Å²	34	50.5 Å²	50.5	18%	0.178	25%	0.254	C	S	.	.			trans	-108.3	148	179.8	-59.9	177.5	0	0	0	110.4	L454 M457 D464 L465 E468	L454-L459 HydrophobicContact CD2-CB 3.75Å; L454-L459 PolarHBondContact O-N 3.07Å; M457-L459 VanDerWaalsContact C-N 3.34Å; M457-L459 HydrophobicContact CB-CD1 3.8Å; M457-L459 HydrophobicContact CB-CG 3.84Å; M457-L459 HydrophobicContact CE-CD1 4.43Å; L459-D464 HydrophobicContact CB-CB 4.03Å; L459-D464 HydrophobicContact CD1-CB 4.49Å; L459-D464 HydrophobicContact CD2-CB 4.21Å; L459-D464 HydrophobicContact CG-CB 4.47Å; L459-L465 HydrophobicContact CD1-CB 3.98Å; L459-L465 HydrophobicContact CD1-CD1 3.93Å; L459-E468 HydrophobicContact CD1-CG 3.95Å; L459-E468 HydrophobicContact CD2-CG 4.03Å
460	A	82.8	Confident	84.6	Confident	82 Å²	82	49.7 Å²	49.7	68%	0.678	25%	0.25	S	C	*	.	S	Bend	trans	-87.7	-35.1	-175.5	0	0	0	0	0	112.8
461	T	88.6	Confident	83.8	Confident	61 Å²	61	50.2 Å²	50.2	37%	0.374	25%	0.253	S	S	.	.	S	Bend	trans	-134.5	156.7	-172	66.8	0	0	0	0	112.6	L454 D463 D464 L465	L454-T461 WeakPolarHBondContact CD2-O 3.33Å; T461-D463 PolarHBondContact O-N 3.43Å; T461-D464 PolarHBondContact N-OD2 3.21Å; T461-D464 WeakPolarHBondContact O-CA 3.47Å; T461-D464 VanDerWaalsContact O-CB 3.31Å; T461-D464 WeakPolarHBondContact O-CB 3.37Å; T461-D464 PolarHBondContact O-N 2.94Å; T461-D464 PolarHBondContact OG1-N 2.91Å; T461-D464 VanDerWaalsContact OG1-N 3.1Å; T461-D464 PolarHBondContact OG1-OD2 3.34Å; T461-L465 PolarHBondContact O-N 2.84Å
462	L	88	Confident	83	Confident	44 Å²	44	46.6 Å²	46.6	23%	0.23	24%	0.238	C	C	.	.	H	α-helix	trans	-56.8	-35.3	171.3	177.1	60.7	0	0	0	111.5	L442 I450 D464 L465 L466	L442-L462 HydrophobicContact CD1-CD1 4.44Å; L442-L462 HydrophobicContact CD2-CD1 4.46Å; L442-L462 HydrophobicContact CD2-CD2 4.12Å; L442-L462 HydrophobicContact CG-CD2 4.42Å; I450-L462 HydrophobicContact CG2-CB 4.4Å; I450-L462 HydrophobicContact CG2-CD1 4.05Å; L462-D464 VanDerWaalsContact C-N 3.3Å; L462-D464 PolarHBondContact O-N 2.86Å; L462-L465 HydrophobicContact CD1-CD2 4.23Å; L462-L465 WeakPolarHBondContact O-CB 3.45Å; L462-L465 PolarHBondContact O-N 3.15Å; L462-L466 HydrophobicContact CD1-CG 4.27Å; L462-L466 HydrophobicContact CG-CD1 4.13Å; L462-L466 HydrophobicContact CG-CG 4.32Å; L462-L466 VanDerWaalsContact O-CG 3.27Å; L462-L466 WeakPolarHBondContact O-CG 3.22Å; L462-L466 PolarHBondContact O-N 2.71Å
463	D	87.7	Confident	82.3	Confident	74 Å²	74	45.9 Å²	45.9	40%	0.396	24%	0.241	S	C	.	.	H	α-helix	trans	-66.8	-31.3	176.1	-73.4	-12.8	0	0	0	112	V425 R429 T461 L466 A467	V425-D463 HydrophobicContact CG1-CB 4.43Å; V425-D463 HydrophobicContact CG2-CB 4.07Å; V425-D463 WeakPolarHBondContact CG2-O 3.39Å; R429-D463 IonicContact NH2-OD1 3.9Å; T461-D463 PolarHBondContact O-N 3.43Å; D463-L466 PolarHBondContact O-N 3.34Å; D463-A467 WeakPolarHBondContact O-CB 3.49Å; D463-A467 PolarHBondContact O-N 3.32Å
464	D	86.8	Confident	81.8	Confident	33 Å²	33	46.3 Å²	46.3	18%	0.176	24%	0.244	C	C	.	.	H	α-helix	trans	-63.5	-45.5	169.5	-64.5	-50.4	0	0	0	111.2	R421 L459 T461 L462 L466 A467 E468	R421-D464 IonicContact CZ-OD1 2.69Å; R421-D464 VanDerWaalsContact CZ-OD1 3.28Å; R421-D464 IonicContact NH1-OD1 2.82Å; R421-D464 PolarHBondContact NH1-OD1 2.77Å; R421-D464 IonicContact NH2-OD1 3.17Å; R421-D464 PolarHBondContact NH2-OD1 3.46Å; L459-D464 HydrophobicContact CB-CB 4.03Å; L459-D464 HydrophobicContact CD1-CB 4.49Å; L459-D464 HydrophobicContact CD2-CB 4.21Å; L459-D464 HydrophobicContact CG-CB 4.47Å; T461-D464 PolarHBondContact N-OD2 3.21Å; T461-D464 WeakPolarHBondContact O-CA 3.47Å; T461-D464 VanDerWaalsContact O-CB 3.31Å; T461-D464 WeakPolarHBondContact O-CB 3.37Å; T461-D464 PolarHBondContact O-N 2.94Å; T461-D464 PolarHBondContact OG1-N 2.91Å; T461-D464 VanDerWaalsContact OG1-N 3.1Å; T461-D464 PolarHBondContact OG1-OD2 3.34Å; L462-D464 VanDerWaalsContact C-N 3.3Å; L462-D464 PolarHBondContact O-N 2.86Å; D464-L466 PolarHBondContact O-N 3.47Å; D464-A467 PolarHBondContact O-N 3.03Å; D464-E468 WeakPolarHBondContact O-CG 3.39Å; D464-E468 PolarHBondContact O-N 3.17Å
465	L	88.9	Confident	80.9	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-60.8	-44.9	176.9	-179.4	65	0	0	0	111.9	E453 L454 M457 L459 T461 L462 A467 E468 I469 V479	E453-L465 HydrophobicContact CG-CD1 4.34Å; E453-L465 HydrophobicContact CG-CD2 4.13Å; L454-L465 HydrophobicContact CD2-CB 3.79Å; L454-L465 HydrophobicContact CD2-CD2 4.46Å; M457-L465 HydrophobicContact CE-CD1 4.46Å; M457-L465 HydrophobicContact SD-CD1 3.56Å; M457-L465 VanDerWaalsContact SD-CD1 3.56Å; L459-L465 HydrophobicContact CD1-CB 3.98Å; L459-L465 HydrophobicContact CD1-CD1 3.93Å; T461-L465 PolarHBondContact O-N 2.84Å; L462-L465 HydrophobicContact CD1-CD2 4.23Å; L462-L465 WeakPolarHBondContact O-CB 3.45Å; L462-L465 PolarHBondContact O-N 3.15Å; L465-A467 VanDerWaalsContact C-N 3.34Å; L465-E468 PolarHBondContact O-N 2.89Å; L465-I469 HydrophobicContact CG-CD1 4.44Å; L465-I469 VanDerWaalsContact O-CG1 3.32Å; L465-I469 WeakPolarHBondContact O-CG1 3.35Å; L465-I469 PolarHBondContact O-N 3.06Å; L465-V479 HydrophobicContact CD1-CG1 3.95Å; L465-V479 HydrophobicContact CD1-CG2 4.22Å; L465-V479 HydrophobicContact CD2-CG1 3.83Å; L465-V479 HydrophobicContact CG-CG1 4.09Å
466	L	87.7	Confident	80.6	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-64.9	-40.1	176.4	-66	176.6	0	0	0	111.2	V425 G428 R429 L432 L442 L462 D463 D464 I469 G470	V425-L466 HydrophobicContact CG1-CB 4.1Å; V425-L466 HydrophobicContact CG1-CD1 4.01Å; G428-L466 VanDerWaalsContact CA-O 3.32Å; G428-L466 WeakPolarHBondContact CA-O 3.16Å; R429-L466 HydrophobicContact CB-CD1 4.21Å; R429-L466 HydrophobicContact CB-CD2 4.27Å; L432-L466 HydrophobicContact CB-CD2 4.38Å; L432-L466 HydrophobicContact CD2-CD2 3.67Å; L442-L466 HydrophobicContact CD2-CD1 4.2Å; L442-L466 HydrophobicContact CD2-CD2 4.14Å; L462-L466 HydrophobicContact CD1-CG 4.27Å; L462-L466 HydrophobicContact CG-CD1 4.13Å; L462-L466 HydrophobicContact CG-CG 4.32Å; L462-L466 VanDerWaalsContact O-CG 3.27Å; L462-L466 WeakPolarHBondContact O-CG 3.22Å; L462-L466 PolarHBondContact O-N 2.71Å; D463-L466 PolarHBondContact O-N 3.34Å; D464-L466 PolarHBondContact O-N 3.47Å; L466-I469 PolarHBondContact O-N 3.45Å; L466-G470 PolarHBondContact O-N 3.2Å
467	A	83	Confident	80.1	Confident	3 Å²	3	40 Å²	40	3%	0.025	22%	0.219	C	C	.	.	H	α-helix	trans	-61.7	-45.3	174.5	0	0	0	0	0	111.3	V425 D463 D464 L465 I469 G470 L471	V425-A467 HydrophobicContact CG2-CB 4.11Å; D463-A467 WeakPolarHBondContact O-CB 3.49Å; D463-A467 PolarHBondContact O-N 3.32Å; D464-A467 PolarHBondContact O-N 3.03Å; L465-A467 VanDerWaalsContact C-N 3.34Å; A467-I469 VanDerWaalsContact C-N 3.3Å; A467-I469 PolarHBondContact O-N 3.46Å; A467-G470 PolarHBondContact O-N 2.96Å; A467-G470 VanDerWaalsContact O-N 3.12Å; A467-L471 WeakPolarHBondContact O-CB 3.44Å; A467-L471 WeakPolarHBondContact O-CG 3.34Å; A467-L471 PolarHBondContact O-N 2.98Å
468	E	82.3	Confident	79.7	Confident	54 Å²	54	38.5 Å²	38.5	25%	0.252	21%	0.213	S	C	.	.	H	α-helix	trans	-60.5	-37.7	176.9	-72.5	-59.8	124.9	0	0	112.6	L459 D464 L465 G472 N473 A474	L459-E468 HydrophobicContact CD1-CG 3.95Å; L459-E468 HydrophobicContact CD2-CG 4.03Å; D464-E468 WeakPolarHBondContact O-CG 3.39Å; D464-E468 PolarHBondContact O-N 3.17Å; L465-E468 PolarHBondContact O-N 2.89Å; E468-G472 PolarHBondContact O-N 3.35Å; E468-N473 HydrophobicContact CB-CB 4.49Å; E468-N473 PolarHBondContact O-N 3.06Å; E468-N473 WeakPolarHBondContact OE2-CB 3.2Å; E468-N473 PolarHBondContact OE2-ND2 3.26Å; E468-A474 HydrophobicContact CB-CB 4.23Å; E468-A474 PolarHBondContact O-N 3.48Å; E468-A474 VanDerWaalsContact O-N 3.14Å
469	I	81.6	Confident	79.7	Confident	3 Å²	3	29.6 Å²	29.6	2%	0.015	17%	0.174	C	C	.	.	H	α-helix	trans	-67.2	-47.2	172.3	-64.5	168.1	0	0	0	110.7	L431 L432 L465 L466 A467 L471 G472 A474 V479	L431-I469 HydrophobicContact CB-CG2 3.92Å; L431-I469 HydrophobicContact CD1-CG2 4.02Å; L432-I469 HydrophobicContact CB-CD1 4.13Å; L432-I469 HydrophobicContact CD1-CD1 3.97Å; L432-I469 HydrophobicContact CD2-CD1 4.18Å; L432-I469 HydrophobicContact CG-CD1 4.33Å; L465-I469 HydrophobicContact CG-CD1 4.44Å; L465-I469 VanDerWaalsContact O-CG1 3.32Å; L465-I469 WeakPolarHBondContact O-CG1 3.35Å; L465-I469 PolarHBondContact O-N 3.06Å; L466-I469 PolarHBondContact O-N 3.45Å; A467-I469 VanDerWaalsContact C-N 3.3Å; A467-I469 PolarHBondContact O-N 3.46Å; I469-L471 VanDerWaalsContact C-N 3.26Å; I469-L471 PolarHBondContact O-N 3.25Å; I469-G472 PolarHBondContact O-N 3.26Å; I469-A474 HydrophobicContact CG1-CB 3.93Å; I469-V479 HydrophobicContact CD1-CB 4.01Å; I469-V479 HydrophobicContact CD1-CG1 3.91Å; I469-V479 HydrophobicContact CD1-CG2 4.13Å; I469-V479 HydrophobicContact CG1-CG2 4.18Å
470	G	72.5	Confident	79.4	Confident	0 Å²	0	28 Å²	28	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-62.9	-32.4	-179.6	0	0	0	0	0	113.4	S424 L466 A467 G472	S424-G470 WeakPolarHBondContact O-CA 3.41Å; L466-G470 PolarHBondContact O-N 3.2Å; A467-G470 PolarHBondContact O-N 2.96Å; A467-G470 VanDerWaalsContact O-N 3.12Å; G470-G472 VanDerWaalsContact C-N 3.32Å
471	L	69.8	Low	79	Confident	35 Å²	35	24.8 Å²	24.8	18%	0.183	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-12.1	176	-67.2	168.9	0	0	0	113	L416 A467 I469	L416-L471 WeakPolarHBondContact O-CD2 3.33Å; A467-L471 WeakPolarHBondContact O-CB 3.44Å; A467-L471 WeakPolarHBondContact O-CG 3.34Å; A467-L471 PolarHBondContact O-N 2.98Å; I469-L471 VanDerWaalsContact C-N 3.26Å; I469-L471 PolarHBondContact O-N 3.25Å
472	G	66.8	Low	78.5	Confident	9 Å²	9	23.4 Å²	23.4	9%	0.093	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.7	14.8	179.5	0	0	0	0	0	114.9	R413 E468 I469 G470	R413-G472 PolarHBondContact NE-O 2.87Å; R413-G472 PolarHBondContact NH2-O 2.74Å; E468-G472 PolarHBondContact O-N 3.35Å; I469-G472 PolarHBondContact O-N 3.26Å; G470-G472 VanDerWaalsContact C-N 3.32Å
473	N	68.8	Low	78.2	Confident	68 Å²	68	21.3 Å²	21.3	36%	0.364	12%	0.116	S	C	.	.	S	Bend	trans	-78.5	-32.1	174.3	-64.4	-17.9	0	0	0	110.9	E468	E468-N473 HydrophobicContact CB-CB 4.49Å; E468-N473 PolarHBondContact O-N 3.06Å; E468-N473 WeakPolarHBondContact OE2-CB 3.2Å; E468-N473 PolarHBondContact OE2-ND2 3.26Å
474	A	72.5	Confident	77.5	Confident	10 Å²	10	20 Å²	20	8%	0.083	11%	0.107	C	C	.	.	S	Bend	trans	-114.6	132.5	175.6	0	0	0	0	0	111.1	M457 E468 I469 S476 V479	M457-A474 HydrophobicContact CE-CB 3.77Å; E468-A474 HydrophobicContact CB-CB 4.23Å; E468-A474 PolarHBondContact O-N 3.48Å; E468-A474 VanDerWaalsContact O-N 3.14Å; I469-A474 HydrophobicContact CG1-CB 3.93Å; A474-S476 PolarHBondContact O-N 3.36Å; A474-V479 HydrophobicContact CB-CG2 4.07Å
475	M	70.5	Confident	76.3	Confident	65 Å²	65	21.3 Å²	21.3	32%	0.32	11%	0.113	S	C	.	.			trans	-73.3	118.9	172.9	-70.2	-171.8	71.4	0	0	109.8	V477 V478 V479	M475-V477 PolarHBondContact O-N 3.33Å; M475-V478 HydrophobicContact CB-CB 4.24Å; M475-V478 HydrophobicContact CB-CG2 3.88Å; M475-V478 PolarHBondContact O-N 3.45Å; M475-V478 VanDerWaalsContact O-N 3.09Å; M475-V479 PolarHBondContact O-N 3.16Å; M475-V479 VanDerWaalsContact O-N 3.15Å
476	S	78.2	Confident	74.2	Confident	7 Å²	7	22.7 Å²	22.7	5%	0.049	13%	0.126	C	C	.	.	H	α-helix	trans	-54.3	-33.3	-177.1	62	0	0	0	0	113.2	L431 A474 A480	L431-S476 WeakPolarHBondContact O-CB 3.1Å; L431-S476 PolarHBondContact O-OG 2.82Å; A474-S476 PolarHBondContact O-N 3.36Å; S476-A480 VanDerWaalsContact O-CB 3.25Å; S476-A480 WeakPolarHBondContact O-CB 3.43Å; S476-A480 PolarHBondContact O-N 3.36Å
477	V	72.3	Confident	71.8	Confident	12 Å²	12	30.9 Å²	30.9	7%	0.073	17%	0.17	C	C	.	.	H	α-helix	trans	-77.7	-33.6	-177.1	-171.2	0	0	0	0	113	A435 M475 K481 V508	A435-V477 HydrophobicContact CB-CB 4.17Å; A435-V477 HydrophobicContact CB-CG2 3.64Å; M475-V477 PolarHBondContact O-N 3.33Å; V477-K481 PolarHBondContact O-N 3.45Å; V477-V508 HydrophobicContact CB-CG2 3.52Å; V477-V508 HydrophobicContact CG1-CG2 3.11Å; V477-V508 HydrophobicContact CG2-CG2 3.65Å
478	V	74.7	Confident	69.3	Low	26 Å²	26	34.3 Å²	34.3	16%	0.158	20%	0.198	C	C	.	.	H	α-helix	trans	-63.6	-49.8	171.8	176.7	0	0	0	0	108.6	M475 A480 K481 N482 V528	M475-V478 HydrophobicContact CB-CB 4.24Å; M475-V478 HydrophobicContact CB-CG2 3.88Å; M475-V478 PolarHBondContact O-N 3.45Å; M475-V478 VanDerWaalsContact O-N 3.09Å; V478-A480 PolarHBondContact O-N 3.08Å; V478-K481 PolarHBondContact O-N 3.35Å; V478-N482 PolarHBondContact O-N 3.4Å; V478-N482 VanDerWaalsContact O-N 3.16Å; V478-N482 PolarHBondContact O-ND2 3.16Å; V478-V528 HydrophobicContact CG2-CG1 4.2Å; V478-V528 HydrophobicContact CG2-CG2 4.21Å
479	V	82.9	Confident	66.8	Low	2 Å²	2	37.2 Å²	37.2	1%	0.012	23%	0.225	C	C	.	.	H	α-helix	trans	-60.8	-48.2	179.1	179.6	0	0	0	0	111.9	L432 E453 M457 L465 I469 A474 M475 K481 N482 L483	L432-V479 HydrophobicContact CD1-CB 4.11Å; L432-V479 HydrophobicContact CD1-CG1 3.88Å; E453-V479 HydrophobicContact CG-CG1 4.17Å; M457-V479 HydrophobicContact SD-CG2 4.29Å; L465-V479 HydrophobicContact CD1-CG1 3.95Å; L465-V479 HydrophobicContact CD1-CG2 4.22Å; L465-V479 HydrophobicContact CD2-CG1 3.83Å; L465-V479 HydrophobicContact CG-CG1 4.09Å; I469-V479 HydrophobicContact CD1-CB 4.01Å; I469-V479 HydrophobicContact CD1-CG1 3.91Å; I469-V479 HydrophobicContact CD1-CG2 4.13Å; I469-V479 HydrophobicContact CG1-CG2 4.18Å; A474-V479 HydrophobicContact CB-CG2 4.07Å; M475-V479 PolarHBondContact O-N 3.16Å; M475-V479 VanDerWaalsContact O-N 3.15Å; V479-K481 PolarHBondContact O-N 3.4Å; V479-N482 PolarHBondContact O-N 2.88Å; V479-N482 VanDerWaalsContact O-N 3.16Å; V479-L483 HydrophobicContact CG1-CD1 3.82Å; V479-L483 HydrophobicContact CG1-CG 4.09Å; V479-L483 VanDerWaalsContact O-CG 3.3Å; V479-L483 WeakPolarHBondContact O-CG 3.45Å; V479-L483 PolarHBondContact O-N 2.91Å
480	A	81.4	Confident	64.6	Low	1 Å²	1	41.3 Å²	41.3	1%	0.008	25%	0.246	C	C	.	.	H	α-helix	trans	-51	-44.1	178.9	0	0	0	0	0	111.8	L432 A435 L436 S476 V478 Q484	L432-A480 HydrophobicContact CD1-CB 3.84Å; A435-A480 HydrophobicContact CB-CB 3.74Å; L436-A480 HydrophobicContact CD2-CB 3.84Å; L436-A480 WeakPolarHBondContact CD2-O 3.36Å; L436-A480 HydrophobicContact CG-CB 3.93Å; S476-A480 VanDerWaalsContact O-CB 3.25Å; S476-A480 WeakPolarHBondContact O-CB 3.43Å; S476-A480 PolarHBondContact O-N 3.36Å; V478-A480 PolarHBondContact O-N 3.08Å; A480-Q484 VanDerWaalsContact O-CG 3.32Å; A480-Q484 WeakPolarHBondContact O-CG 3.24Å; A480-Q484 PolarHBondContact O-N 3.47Å; A480-Q484 VanDerWaalsContact O-N 3.11Å
481	K	73.1	Confident	62.7	Low	14 Å²	14	46.3 Å²	46.3	6%	0.061	28%	0.279	C	S	.	.	H	α-helix	trans	-72.8	-40.8	-177.7	-161	-173.4	-173.7	149.3	0	113.5	V477 V478 V479 L483 Q484 H485 G504 M555 A556	V477-K481 PolarHBondContact O-N 3.45Å; V478-K481 PolarHBondContact O-N 3.35Å; V479-K481 PolarHBondContact O-N 3.4Å; K481-L483 PolarHBondContact O-N 3.47Å; K481-Q484 PolarHBondContact O-N 2.98Å; K481-Q484 VanDerWaalsContact O-N 3.1Å; K481-H485 PolarHBondContact O-N 3.09Å; K481-H485 PolarHBondContact O-ND1 3.5Å; K481-G504 PolarHBondContact NZ-O 3.45Å; K481-M555 HydrophobicContact CB-SD 4.22Å; K481-M555 HydrophobicContact CD-CE 3.83Å; K481-M555 HydrophobicContact CD-CG 3.27Å; K481-M555 HydrophobicContact CD-SD 3.1Å; K481-M555 WeakPolarHBondContact CD-SD 3.47Å; K481-M555 HydrophobicContact CG-SD 4.31Å; K481-A556 WeakPolarHBondContact CE-O 3.47Å; K481-A556 PolarHBondContact NZ-O 3.22Å
482	N	78.4	Confident	60.8	Low	32 Å²	32	50 Å²	50	17%	0.171	30%	0.304	C	S	.	.	H	α-helix	trans	-65.6	-32.4	178.1	-57.2	-37.8	0	0	0	112	R452 E453 R456 V478 V479	R452-N482 PolarHBondContact NH2-O 3.06Å; E453-N482 VanDerWaalsContact CD-CB 3.48Å; E453-N482 WeakPolarHBondContact OE1-CB 3.39Å; E453-N482 PolarHBondContact OE1-ND2 3.05Å; E453-N482 WeakPolarHBondContact OE2-CB 3.25Å; R456-N482 PolarHBondContact NH1-ND2 3.25Å; R456-N482 PolarHBondContact NH2-ND2 2.82Å; R456-N482 VanDerWaalsContact NH2-ND2 3.14Å; V478-N482 PolarHBondContact O-N 3.4Å; V478-N482 VanDerWaalsContact O-N 3.16Å; V478-N482 PolarHBondContact O-ND2 3.16Å; V479-N482 PolarHBondContact O-N 2.88Å; V479-N482 VanDerWaalsContact O-N 3.16Å
483	L	81.4	Confident	59.2	Low	0 Å²	0	53.9 Å²	53.9	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-68.8	-34.9	172.1	-69.7	177.8	0	0	0	112.2	L432 L442 I445 N449 I450 E453 V479 K481	L432-L483 HydrophobicContact CD1-CD1 4.11Å; L432-L483 HydrophobicContact CD2-CD1 3.82Å; L432-L483 HydrophobicContact CG-CD1 4.46Å; L442-L483 HydrophobicContact CD1-CD1 4.29Å; I445-L483 HydrophobicContact CD1-CB 3.76Å; I445-L483 HydrophobicContact CD1-CD1 4.05Å; I445-L483 HydrophobicContact CG2-CB 4.06Å; I445-L483 WeakPolarHBondContact CG2-O 3.48Å; N449-L483 VanDerWaalsContact CB-O 3.25Å; N449-L483 WeakPolarHBondContact CB-O 3.29Å; N449-L483 PolarHBondContact ND2-O 3.5Å; I450-L483 HydrophobicContact CB-CD2 4.36Å; I450-L483 HydrophobicContact CG1-CD2 3.99Å; E453-L483 HydrophobicContact CB-CD2 3.8Å; E453-L483 HydrophobicContact CG-CD2 4.2Å; V479-L483 HydrophobicContact CG1-CD1 3.82Å; V479-L483 HydrophobicContact CG1-CG 4.09Å; V479-L483 VanDerWaalsContact O-CG 3.3Å; V479-L483 WeakPolarHBondContact O-CG 3.45Å; V479-L483 PolarHBondContact O-N 2.91Å; K481-L483 PolarHBondContact O-N 3.47Å
484	Q	72.9	Confident	57.4	Low	45 Å²	45	56.7 Å²	56.7	21%	0.21	36%	0.355	C	S	.	.	H	α-helix	trans	-74.7	-33.3	177.9	-76.3	175.6	-11.3	0	0	113.2	L436 A480 K481	L436-Q484 HydrophobicContact CD2-CG 3.76Å; L436-Q484 PolarHBondContact O-NE2 3.49Å; A480-Q484 VanDerWaalsContact O-CG 3.32Å; A480-Q484 WeakPolarHBondContact O-CG 3.24Å; A480-Q484 PolarHBondContact O-N 3.47Å; A480-Q484 VanDerWaalsContact O-N 3.11Å; K481-Q484 PolarHBondContact O-N 2.98Å; K481-Q484 VanDerWaalsContact O-N 3.1Å
485	H	62	Low	55.4	Low	62 Å²	62	64.7 Å²	64.7	29%	0.287	39%	0.391	S	S	.	.			trans	-116	100.8	-168.4	-59.5	77.8	0	0	0	109.5	R452 K481 I490	R452-H485 PolarHBondContact NH2-O 2.96Å; K481-H485 PolarHBondContact O-N 3.09Å; K481-H485 PolarHBondContact O-ND1 3.5Å; H485-I490 WeakPolarHBondContact CD2-CD1 3.45Å
486	G	44.6	Very low	53.4	Low	28 Å²	28	66 Å²	66	29%	0.289	41%	0.406	S	S	.	.			trans	-47.5	150.1	151.6	0	0	0	0	0	110.4	A488	G486-A488 PolarHBondContact O-N 3.41Å
487	D	37.5	Very low	51.2	Low	172 Å²	172	74.4 Å²	74.4	92%	0.92	45%	0.445	S	S	*	.	S	Bend	trans	-64.2	24.6	-178.8	-133.1	0.4	0	0	0	113.9
488	A	31.4	Very low	49.5	Very low	75 Å²	75	76.7 Å²	76.7	62%	0.62	47%	0.471	S	S	*	.	S	Bend	trans	-145.2	119.2	-174.8	0	0	0	0	0	112.3	G486	G486-A488 PolarHBondContact O-N 3.41Å
489	S	29.5	Very low	48.2	Very low	116 Å²	116	82.3 Å²	82.3	81%	0.811	50%	0.495	S	S	*	.			trans	40.1	111.5	148	53.3	0	0	0	0	119.5
490	I	36.4	Very low	46.9	Very low	88 Å²	88	84.9 Å²	84.9	45%	0.451	51%	0.509	S	S	.	.	P	Polyproline II helix	trans	-88.8	127.5	178.6	-55.1	167.5	0	0	0	111.8	H485	H485-I490 WeakPolarHBondContact CD2-CD1 3.45Å
491	P	31.2	Very low	46.3	Very low	106 Å²	106	85.3 Å²	85.3	69%	0.688	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-91.7	152.7	157.3	25.3	-12.6	0	0	0	111.7
492	P	29.6	Very low	46.3	Very low	111 Å²	111	84.7 Å²	84.7	72%	0.721	51%	0.508	S	S	*	.	P	Polyproline II helix	trans	-86.4	133.7	-164.5	33.6	-32.2	0	0	0	112.8
493	A	34.7	Very low	45.8	Very low	92 Å²	92	86.5 Å²	86.5	76%	0.76	52%	0.515	S	S	*	.			trans	-130.6	156.1	162.7	0	0	0	0	0	111.3
494	T	29.9	Very low	44.7	Very low	126 Å²	126	88 Å²	88	77%	0.773	53%	0.53	S	S	*	.			trans	-104.1	148.5	-144.6	18	0	0	0	0	115.5
495	Q	30.8	Very low	43.9	Very low	179 Å²	179	85.8 Å²	85.8	84%	0.836	52%	0.52	S	S	*	.			trans	76	123.7	147	-68.8	177	0.9	0	0	122.6
496	S	28.8	Very low	43.6	Very low	91 Å²	91	87 Å²	87	64%	0.636	53%	0.528	S	S	*	.			trans	68.4	105.4	145.1	63.1	0	0	0	0	121.2
497	H	31.7	Very low	44.1	Very low	185 Å²	185	88.2 Å²	88.2	86%	0.856	54%	0.54	S	S	*	.	S	Bend		175	121.6	97	-83.7	-64	0	0	0	111.7
498	G	36.8	Very low	45.3	Very low	60 Å²	60	80.7 Å²	80.7	62%	0.619	50%	0.5	S	S	*	.			trans	97.4	93.9	167.6	0	0	0	0	0	115.3	L500	G498-L500 PolarHBondContact O-N 3.48Å
499	H	48.2	Very low	47	Very low	143 Å²	143	80.1 Å²	80.1	66%	0.662	49%	0.487	S	S	*	.			trans	-59.7	80.8	-170.6	-60.9	-83.5	0	0	0	115.4	E562	H499-E562 PolarHBondContact ND1-O 2.91Å
500	L	55.2	Low	49.2	Very low	57 Å²	57	76.2 Å²	76.2	30%	0.298	46%	0.456	S	S	.	.			trans	-86.4	135.7	156.9	-80.1	157.5	0	0	0	108.2	G498 I502 I510	G498-L500 PolarHBondContact O-N 3.48Å; L500-I502 PolarHBondContact O-N 2.82Å; L500-I510 HydrophobicContact CD2-CD1 3.97Å
501	P	68.2	Low	51.3	Low	9 Å²	9	74.6 Å²	74.6	6%	0.058	45%	0.451	C	S	.	.	S	Bend	trans	-68.4	-3	-176.8	26.9	-34.9	0	0	0	114.2	F512 W559 D560 F567	P501-F512 HydrophobicContact CB-CZ 4.39Å; P501-F512 HydrophobicContact CG-CE2 4.05Å; P501-F512 HydrophobicContact CG-CZ 3.73Å; P501-W559 HydrophobicContact CB-CE3 4.44Å; P501-W559 HydrophobicContact CB-CZ3 4.3Å; P501-W559 WeakPolarHBondContact O-CA 3.46Å; P501-D560 PolarHBondContact O-N 2.82Å; P501-F567 HydrophobicContact CB-CE1 4.21Å; P501-F567 HydrophobicContact CB-CZ 3.6Å; P501-F567 HydrophobicContact CG-CE1 4.32Å; P501-F567 HydrophobicContact CG-CZ 4.1Å
502	I	73.2	Confident	54.1	Low	1 Å²	1	72.1 Å²	72.1	1%	0.005	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	119.8	-173.4	-55.9	-65.2	0	0	0	109.3	L500 A505 I510 F512 I524 I536 V557 E558 W559	L500-I502 PolarHBondContact O-N 2.82Å; I502-A505 HydrophobicContact CB-CB 4.18Å; I502-A505 HydrophobicContact CG2-CB 3.84Å; I502-I510 HydrophobicContact CB-CD1 3.9Å; I502-I510 HydrophobicContact CG1-CD1 4.16Å; I502-I510 HydrophobicContact CG1-CG2 4.3Å; I502-F512 HydrophobicContact CD1-CE1 4.03Å; I502-F512 HydrophobicContact CD1-CZ 4.22Å; I502-F512 HydrophobicContact CG1-CE1 4.31Å; I502-F512 HydrophobicContact CG1-CZ 4.1Å; I502-I524 HydrophobicContact CD1-CD1 3.49Å; I502-I524 VanDerWaalsContact CD1-CD1 3.49Å; I502-I536 HydrophobicContact CD1-CG1 4.47Å; I502-I536 HydrophobicContact CD1-CG2 4.28Å; I502-I536 HydrophobicContact CG1-CD1 4.47Å; I502-I536 HydrophobicContact CG1-CG1 4.3Å; I502-I536 HydrophobicContact CG2-CD1 4.46Å; I502-V557 HydrophobicContact CG2-CB 3.73Å; I502-V557 HydrophobicContact CG2-CG1 3.81Å; I502-E558 CarbonylContact C-O 3.49Å; I502-E558 WeakPolarHBondContact CA-O 3.38Å; I502-W559 HydrophobicContact CD1-CD2 4.07Å; I502-W559 HydrophobicContact CD1-CE3 3.76Å; I502-W559 HydrophobicContact CD1-CH2 4.38Å; I502-W559 HydrophobicContact CD1-CZ3 3.93Å
503	K	68.1	Low	56.8	Low	71 Å²	71	67.1 Å²	67.1	31%	0.309	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	137.6	171.8	-69.4	-173.5	175.4	-167	0	111.1	E558 D560	K503-E558 HydrophobicContact CB-CB 4.42Å; K503-E558 PolarHBondContact N-O 2.86Å; K503-D560 WeakPolarHBondContact CE-OD1 3.49Å; K503-D560 HydrophobicContact CG-CB 4.05Å; K503-D560 IonicContact NZ-OD1 3.28Å
504	G	58.5	Low	59.3	Low	30 Å²	30	71 Å²	71	31%	0.309	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.1	31.8	179.6	0	0	0	0	0	113.3	K481	K481-G504 PolarHBondContact NZ-O 3.45Å
505	A	56.5	Low	62	Low	0 Å²	0	66 Å²	66	0%	0	37%	0.367	C	S	.	.			trans	-135.2	19.4	173.5	0	0	0	0	0	112.6	I502 G507 V508 I510 L534	I502-A505 HydrophobicContact CB-CB 4.18Å; I502-A505 HydrophobicContact CG2-CB 3.84Å; A505-G507 PolarHBondContact O-N 2.84Å; A505-V508 PolarHBondContact O-N 2.88Å; A505-I510 HydrophobicContact CB-CD1 3.34Å; A505-I510 HydrophobicContact CB-CG1 3.99Å; A505-L534 HydrophobicContact CB-CD1 3.88Å
506	D	55.7	Low	64.7	Low	88 Å²	88	57.5 Å²	57.5	47%	0.471	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	127.7	-179.7	-60.6	-37.1	0	0	0	110.9
507	G	54.9	Low	67.7	Low	52 Å²	52	54.5 Å²	54.5	54%	0.536	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.7	6.2	179.8	0	0	0	0	0	116.3	A505	A505-G507 PolarHBondContact O-N 2.84Å
508	V	61.6	Low	70.5	Confident	14 Å²	14	45.8 Å²	45.8	9%	0.085	26%	0.262	C	S	.	.	S	Bend	trans	-110.3	144.9	174.5	-162.7	0	0	0	0	110.9	V477 A505 I510 L534	V477-V508 HydrophobicContact CB-CG2 3.52Å; V477-V508 HydrophobicContact CG1-CG2 3.11Å; V477-V508 HydrophobicContact CG2-CG2 3.65Å; A505-V508 PolarHBondContact O-N 2.88Å; V508-I510 WeakPolarHBondContact O-CG1 3.49Å; V508-I510 PolarHBondContact O-N 3.17Å; V508-I510 VanDerWaalsContact O-N 3.11Å; V508-L534 HydrophobicContact CB-CD1 3.82Å; V508-L534 HydrophobicContact CB-CG 4.22Å; V508-L534 HydrophobicContact CG1-CD1 3.86Å; V508-L534 HydrophobicContact CG1-CG 3.68Å; V508-L534 HydrophobicContact CG2-CD1 4.05Å
509	L	67.3	Low	73.1	Confident	64 Å²	64	42.9 Å²	42.9	34%	0.335	23%	0.232	S	C	.	.			trans	-61.7	115.1	169.1	-160.2	98.1	0	0	0	109.1	G533 L534	L509-G533 CarbonylContact O-C 3.54Å; L509-G533 WeakPolarHBondContact O-CA 2.92Å; L509-L534 PolarHBondContact O-N 2.65Å
510	I	76	Confident	75.1	Confident	34 Å²	34	36.7 Å²	36.7	17%	0.174	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	126.6	176.8	-53	-176.8	0	0	0	108.7	L500 I502 A505 V508 F512 L534 I536	L500-I510 HydrophobicContact CD2-CD1 3.97Å; I502-I510 HydrophobicContact CB-CD1 3.9Å; I502-I510 HydrophobicContact CG1-CD1 4.16Å; I502-I510 HydrophobicContact CG1-CG2 4.3Å; A505-I510 HydrophobicContact CB-CD1 3.34Å; A505-I510 HydrophobicContact CB-CG1 3.99Å; V508-I510 WeakPolarHBondContact O-CG1 3.49Å; V508-I510 PolarHBondContact O-N 3.17Å; V508-I510 VanDerWaalsContact O-N 3.11Å; I510-F512 HydrophobicContact CG2-CE2 4.5Å; I510-F512 HydrophobicContact CG2-CZ 4.46Å; I510-L534 WeakPolarHBondContact CA-O 2.98Å; I510-I536 HydrophobicContact CG2-CD1 3.92Å; I510-I536 HydrophobicContact CG2-CG1 3.41Å; I510-I536 VanDerWaalsContact CG2-CG1 3.41Å
511	T	81.2	Confident	76.6	Confident	54 Å²	54	36.2 Å²	36.2	33%	0.331	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	128.8	173	-54.2	0	0	0	0	109.7	K532 L534 V535 I536	T511-K532 PolarHBondContact OG1-O 3.12Å; T511-L534 PolarHBondContact N-O 3.3Å; T511-V535 CarbonylContact O-C 3.54Å; T511-V535 VanDerWaalsContact O-CA 3.22Å; T511-V535 WeakPolarHBondContact O-CA 3.41Å; T511-I536 PolarHBondContact O-N 2.83Å
512	F	88.3	Confident	77.6	Confident	53 Å²	53	36 Å²	36	23%	0.232	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	132.1	174.1	-68.5	-78.2	0	0	0	111.6	P501 I502 I510 K514 P518 I536 W559 F567	P501-F512 HydrophobicContact CB-CZ 4.39Å; P501-F512 HydrophobicContact CG-CE2 4.05Å; P501-F512 HydrophobicContact CG-CZ 3.73Å; I502-F512 HydrophobicContact CD1-CE1 4.03Å; I502-F512 HydrophobicContact CD1-CZ 4.22Å; I502-F512 HydrophobicContact CG1-CE1 4.31Å; I502-F512 HydrophobicContact CG1-CZ 4.1Å; I510-F512 HydrophobicContact CG2-CE2 4.5Å; I510-F512 HydrophobicContact CG2-CZ 4.46Å; F512-K514 PolarHBondContact O-N 2.94Å; F512-P518 HydrophobicContact CD1-CG 3.95Å; F512-I536 HydrophobicContact CD1-CB 3.83Å; F512-I536 HydrophobicContact CD1-CG1 4.24Å; F512-I536 HydrophobicContact CD1-CG2 4.21Å; F512-I536 HydrophobicContact CE1-CB 4.06Å; F512-I536 HydrophobicContact CE1-CG1 4.14Å; F512-I536 HydrophobicContact CE1-CG2 4.16Å; F512-W559 HydrophobicContact CD1-CH2 4.29Å; F512-W559 AromaticContact CE1-CH2 3.53Å; F512-W559 HydrophobicContact CE1-CH2 3.53Å; F512-W559 HydrophobicContact CE1-CZ2 4.46Å; F512-W559 AromaticContact CE1-CZ3 3.83Å; F512-W559 HydrophobicContact CE1-CZ3 3.83Å; F512-W559 HydrophobicContact CZ-CH2 4.21Å; F512-W559 HydrophobicContact CZ-CZ3 4.06Å; F512-F567 HydrophobicContact CD2-CE1 4.36Å; F512-F567 HydrophobicContact CE1-CE1 4.11Å; F512-F567 HydrophobicContact CE2-CD1 4.34Å; F512-F567 AromaticContact CE2-CE1 3.69Å; F512-F567 HydrophobicContact CE2-CE1 3.69Å; F512-F567 HydrophobicContact CZ-CD1 4.29Å; F512-F567 AromaticContact CZ-CE1 3.54Å; F512-F567 HydrophobicContact CZ-CE1 3.54Å; F512-F567 HydrophobicContact CZ-CZ 4.47Å
513	A	86.7	Confident	78.3	Confident	6 Å²	6	38.5 Å²	38.5	5%	0.05	23%	0.228	C	C	.	.			trans	-68.2	125.1	-177.6	0	0	0	0	0	112	C515 R517 V535 I536 H537	A513-C515 VanDerWaalsContact C-N 3.25Å; A513-C515 PolarHBondContact O-N 3.46Å; A513-R517 PolarHBondContact O-N 2.82Å; A513-V535 HydrophobicContact CB-CG1 3.96Å; A513-I536 WeakPolarHBondContact CB-O 3.45Å; A513-I536 PolarHBondContact N-O 3.34Å; A513-H537 VanDerWaalsContact CB-CE1 3.43Å; A513-H537 WeakPolarHBondContact CB-CE1 3.04Å
514	K	88.3	Confident	79.3	Confident	175 Å²	175	35.9 Å²	35.9	76%	0.761	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-20.8	-179.1	-66.1	-178.9	-179.5	176.8	0	114.3	F512 R517	F512-K514 PolarHBondContact O-N 2.94Å; K514-R517 WeakPolarHBondContact O-CG 3.45Å; K514-R517 PolarHBondContact O-NE 3.17Å; K514-R517 PolarHBondContact O-NH2 3.33Å
515	C	86.7	Confident	80.7	Confident	21 Å²	21	34.9 Å²	34.9	14%	0.142	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-33.5	-177.3	54	0	0	0	0	114.1	A513 H537 C541 N543 N644	A513-C515 VanDerWaalsContact C-N 3.25Å; A513-C515 PolarHBondContact O-N 3.46Å; C515-H537 PolarHBondContact SG-CE1 3.32Å; C515-C541 PolarHBondContact SG-SG 3.46Å; C515-N543 WeakPolarHBondContact CB-ND2 3.43Å; C515-N543 PolarHBondContact SG-ND2 3.06Å; C515-N644 CarbonylContact O-C 3.53Å; C515-N644 WeakPolarHBondContact O-CA 3.27Å; C515-N644 PolarHBondContact O-N 3.4Å
516	C	87.1	Confident	82.1	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120	-14.4	-177.1	54.4	0	0	0	0	114	H538 C541 R643	C516-H538 HydrophobicContact CB-CB 3.71Å; C516-H538 PolarHBondContact SG-N 2.89Å; C516-C541 HydrophobicContact CB-CB 3.75Å; C516-R643 WeakPolarHBondContact CA-O 3.35Å; C516-R643 WeakPolarHBondContact CB-O 3.5Å
517	R	91.2	Very high	83.5	Confident	27 Å²	27	33 Å²	33	10%	0.102	19%	0.193	C	C	.	.			trans	46.5	62.5	172.8	-63.6	-175.2	-175.4	114.7	16	112.3	E193 A513 K514 I568 E570 R641	E193-R517 VanDerWaalsContact CD-NH2 3.31Å; E193-R517 IonicContact OE1-CZ 3.4Å; E193-R517 IonicContact OE1-NH2 3.09Å; E193-R517 PolarHBondContact OE1-NH2 2.9Å; E193-R517 VanDerWaalsContact OE1-NH2 3.15Å; E193-R517 IonicContact OE2-CZ 2.8Å; E193-R517 IonicContact OE2-NH1 3.72Å; E193-R517 PolarHBondContact OE2-NH1 2.77Å; E193-R517 IonicContact OE2-NH2 3.76Å; E193-R517 PolarHBondContact OE2-NH2 3.39Å; A513-R517 PolarHBondContact O-N 2.82Å; K514-R517 WeakPolarHBondContact O-CG 3.45Å; K514-R517 PolarHBondContact O-NE 3.17Å; K514-R517 PolarHBondContact O-NH2 3.33Å; R517-I568 WeakPolarHBondContact CB-O 3.48Å; R517-E570 IonicContact NH1-OE1 2.86Å; R517-E570 IonicContact NH1-OE2 3.82Å; R517-E570 PolarHBondContact NH1-OE2 2.88Å; R517-R641 PolarHBondContact O-NH2 2.93Å
518	P	91.2	Very high	84.6	Confident	2 Å²	2	32 Å²	32	1%	0.013	18%	0.176	C	C	.	.			trans	-69	143.6	-175.4	34	-36.4	0	0	0	109.8	F512 D522 I524 I536 H538 W559	F512-P518 HydrophobicContact CD1-CG 3.95Å; P518-D522 WeakPolarHBondContact CA-OD2 3.25Å; P518-I524 HydrophobicContact CB-CG2 3.67Å; P518-I524 HydrophobicContact CG-CG2 4.39Å; P518-I536 HydrophobicContact CG-CG2 4.15Å; P518-I536 WeakPolarHBondContact CG-O 3.37Å; P518-H538 HydrophobicContact CB-CB 4.34Å; P518-W559 HydrophobicContact CB-CZ2 4.02Å
519	I	91.2	Very high	85	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.181	C	C	.	.			trans	-127.2	160.5	179.3	70.8	-173.4	0	0	0	110.1	G521 D522 W559 F567 A617 R620 L623	I519-G521 PolarHBondContact O-N 3.31Å; I519-D522 PolarHBondContact N-OD2 2.73Å; I519-D522 WeakPolarHBondContact O-CB 3.48Å; I519-D522 PolarHBondContact O-N 2.74Å; I519-W559 VanDerWaalsContact C-CH2 3.42Å; I519-W559 VanDerWaalsContact O-CE2 3.24Å; I519-W559 WeakPolarHBondContact O-CZ2 3.38Å; I519-W559 PolarHBondContact O-NE1 3.22Å; I519-F567 HydrophobicContact CB-CB 4.24Å; I519-F567 HydrophobicContact CG2-CB 3.73Å; I519-A617 HydrophobicContact CD1-CB 4.5Å; I519-R620 HydrophobicContact CD1-CG 4.15Å; I519-R620 HydrophobicContact CG1-CG 3.99Å; I519-L623 HydrophobicContact CD1-CB 3.82Å; I519-L623 HydrophobicContact CD1-CD2 3.54Å; I519-L623 HydrophobicContact CD1-CG 4.32Å
520	P	90.5	Very high	84.7	Confident	12 Å²	12	34.2 Å²	34.2	8%	0.078	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.5	126	179.6	-31.3	36.9	0	0	0	113.8	W559 T563 F567 R618 D619 R620	P520-W559 VanDerWaalsContact CA-CD2 3.47Å; P520-W559 HydrophobicContact CB-CD2 4.22Å; P520-W559 HydrophobicContact CB-CE3 4.04Å; P520-W559 HydrophobicContact CB-CZ3 4.46Å; P520-W559 HydrophobicContact CG-CD2 4.31Å; P520-W559 HydrophobicContact CG-CE3 3.67Å; P520-W559 HydrophobicContact CG-CH2 4.32Å; P520-W559 HydrophobicContact CG-CZ3 3.68Å; P520-T563 HydrophobicContact CB-CG2 4.29Å; P520-T563 HydrophobicContact CG-CG2 3.74Å; P520-F567 HydrophobicContact CG-CD2 3.63Å; P520-F567 HydrophobicContact CG-CE2 3.35Å; P520-F567 HydrophobicContact CG-CG 4.49Å; P520-F567 HydrophobicContact CG-CZ 4.02Å; P520-R618 WeakPolarHBondContact CD-O 3.17Å; P520-R618 VanDerWaalsContact CG-O 3.24Å; P520-R618 WeakPolarHBondContact CG-O 3.03Å; P520-D619 HydrophobicContact CB-CB 3.9Å; P520-D619 WeakPolarHBondContact O-CA 3.5Å; P520-R620 PolarHBondContact O-N 3.16Å
521	G	85.5	Confident	83.8	Confident	47 Å²	47	33.7 Å²	33.7	49%	0.485	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	96.3	-5.3	-175.1	0	0	0	0	0	115.2	I519 R620	I519-G521 PolarHBondContact O-N 3.31Å; G521-R620 WeakPolarHBondContact O-CD 3.42Å; G521-R620 PolarHBondContact O-NH1 3.44Å
522	D	89.7	Confident	82.8	Confident	6 Å²	6	37.1 Å²	37.1	3%	0.032	21%	0.209	C	C	.	.	S	Bend	trans	-74.7	147	170.3	-75.8	-26	0	0	0	112	P518 I519 I524 H538 W559 R620 R641	P518-D522 WeakPolarHBondContact CA-OD2 3.25Å; I519-D522 PolarHBondContact N-OD2 2.73Å; I519-D522 WeakPolarHBondContact O-CB 3.48Å; I519-D522 PolarHBondContact O-N 2.74Å; D522-I524 HydrophobicContact CB-CG2 4.2Å; D522-I524 PolarHBondContact O-N 2.62Å; D522-H538 IonicContact OD1-CD2 2.88Å; D522-H538 IonicContact OD1-NE2 3.78Å; D522-H538 IonicContact OD2-CD2 3.26Å; D522-W559 PolarHBondContact O-NE1 3.34Å; D522-R620 VanDerWaalsContact OD1-CD 3.28Å; D522-R620 WeakPolarHBondContact OD1-CD 3.42Å; D522-R620 IonicContact OD1-NE 3.42Å; D522-R641 IonicContact OD1-CZ 3.93Å; D522-R641 IonicContact OD1-NH1 2.85Å; D522-R641 PolarHBondContact OD1-NH1 3.34Å; D522-R641 IonicContact OD1-NH2 3.48Å; D522-R641 IonicContact OD2-CZ 2.66Å; D522-R641 IonicContact OD2-NH1 3.24Å; D522-R641 PolarHBondContact OD2-NH1 3.17Å; D522-R641 IonicContact OD2-NH2 3.1Å; D522-R641 PolarHBondContact OD2-NH2 3.37Å
523	P	88	Confident	82.1	Confident	53 Å²	53	35 Å²	35	34%	0.344	20%	0.202	S	C	.	.			trans	-66.4	121.9	163.8	29.8	-32.2	0	0	0	108.7	H538 E539	P523-H538 WeakPolarHBondContact O-CA 3.34Å; P523-E539 HydrophobicContact CB-CB 4.09Å; P523-E539 HydrophobicContact CG-CB 4.46Å; P523-E539 PolarHBondContact O-N 3.03Å
524	I	89.2	Confident	81.8	Confident	15 Å²	15	35 Å²	35	8%	0.077	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	153.5	-172.5	50.1	161.8	0	0	0	111.9	I502 P518 D522 I536 H537 V557 W559	I502-I524 HydrophobicContact CD1-CD1 3.49Å; I502-I524 VanDerWaalsContact CD1-CD1 3.49Å; P518-I524 HydrophobicContact CB-CG2 3.67Å; P518-I524 HydrophobicContact CG-CG2 4.39Å; D522-I524 HydrophobicContact CB-CG2 4.2Å; D522-I524 PolarHBondContact O-N 2.62Å; I524-I536 HydrophobicContact CB-CG2 3.9Å; I524-I536 HydrophobicContact CD1-CG2 4.08Å; I524-I536 HydrophobicContact CG2-CG2 3.95Å; I524-H537 CarbonylContact C-O 3.57Å; I524-H537 WeakPolarHBondContact CA-O 3.19Å; I524-V557 HydrophobicContact CB-CG2 4.28Å; I524-V557 HydrophobicContact CD1-CB 4.2Å; I524-V557 HydrophobicContact CD1-CG2 3.76Å; I524-V557 HydrophobicContact CG1-CG2 3.97Å; I524-V557 WeakPolarHBondContact CG1-O 3.43Å; I524-W559 HydrophobicContact CD1-CD2 4.09Å; I524-W559 HydrophobicContact CD1-CG 4.1Å; I524-W559 HydrophobicContact CD1-CZ2 4.45Å; I524-W559 HydrophobicContact CG2-CZ2 3.77Å
525	I	87.5	Confident	81.7	Confident	10 Å²	10	27.4 Å²	27.4	5%	0.051	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	141.6	172.8	-167.5	169.6	0	0	0	109.1	H537 I544 Y547 F554 M555	I525-H537 HydrophobicContact CG2-CB 4.25Å; I525-H537 PolarHBondContact N-O 2.71Å; I525-H537 PolarHBondContact O-N 3.27Å; I525-I544 HydrophobicContact CG2-CD1 3.19Å; I525-Y547 HydrophobicContact CD1-CD1 4.21Å; I525-Y547 HydrophobicContact CD1-CD2 3.23Å; I525-Y547 HydrophobicContact CD1-CE1 4.13Å; I525-Y547 HydrophobicContact CD1-CE2 3.15Å; I525-Y547 HydrophobicContact CD1-CG 3.8Å; I525-F554 HydrophobicContact CD1-CB 3.87Å; I525-F554 HydrophobicContact CD1-CD1 4.33Å; I525-F554 HydrophobicContact CD1-CG 4.44Å; I525-F554 HydrophobicContact CG1-CB 4.3Å; I525-M555 WeakPolarHBondContact CG1-O 3.38Å
526	A	86.1	Confident	81.9	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	130.2	178.9	0	0	0	0	0	109.7	L534 V535 I536 F554 M555 V557	A526-L534 HydrophobicContact CB-CB 4.29Å; A526-L534 HydrophobicContact CB-CD2 4.27Å; A526-V535 WeakPolarHBondContact CA-O 3.39Å; A526-I536 HydrophobicContact CB-CD1 3.68Å; A526-F554 CarbonylContact O-C 3.51Å; A526-F554 VanDerWaalsContact O-CA 3.3Å; A526-F554 WeakPolarHBondContact O-CA 3.4Å; A526-M555 HydrophobicContact CB-CB 4.23Å; A526-M555 HydrophobicContact CB-CE 4.03Å; A526-M555 PolarHBondContact N-O 3.13Å; A526-M555 PolarHBondContact O-N 3.36Å; A526-V557 HydrophobicContact CB-CB 4.48Å; A526-V557 HydrophobicContact CB-CG1 3.7Å; A526-V557 HydrophobicContact CB-CG2 3.88Å
527	H	85.3	Confident	82	Confident	48 Å²	48	27.2 Å²	27.2	22%	0.222	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	125.7	168.9	172.4	-100.1	0	0	0	109.2	S529 V535 K553 F554	H527-S529 PolarHBondContact O-N 2.74Å; H527-V535 HydrophobicContact CB-CB 4.48Å; H527-V535 PolarHBondContact N-O 2.99Å; H527-V535 PolarHBondContact O-N 3.19Å; H527-K553 CarbonylContact C-O 3.55Å; H527-K553 WeakPolarHBondContact CA-O 3.28Å; H527-F554 HydrophobicContact CB-CD1 3.95Å; H527-F554 HydrophobicContact CB-CE1 3.75Å; H527-F554 AromaticContact CD2-CE1 3.53Å; H527-F554 AromaticContact CD2-CZ 3.55Å; H527-F554 AromaticContact CG-CE1 3.97Å
528	V	79.2	Confident	81.9	Confident	30 Å²	30	26.1 Å²	26.1	18%	0.182	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	106.8	176.9	-174.9	0	0	0	0	108.2	V478 L534 K553	V478-V528 HydrophobicContact CG2-CG1 4.2Å; V478-V528 HydrophobicContact CG2-CG2 4.21Å; V528-L534 HydrophobicContact CG2-CD2 3.94Å; V528-K553 PolarHBondContact N-O 3.23Å
529	S	69.7	Low	81.7	Confident	26 Å²	26	30.1 Å²	30.1	18%	0.182	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	119.3	179.1	-175.8	0	0	0	0	109.9	H527 G531 K532 G533	H527-S529 PolarHBondContact O-N 2.74Å; S529-G531 PolarHBondContact O-N 2.86Å; S529-K532 PolarHBondContact O-N 2.86Å; S529-K532 VanDerWaalsContact O-N 3.12Å; S529-G533 PolarHBondContact N-O 3.2Å; S529-G533 PolarHBondContact O-N 2.99Å; S529-G533 VanDerWaalsContact O-N 3.14Å
530	P	59.3	Low	81.3	Confident	100 Å²	100	33.4 Å²	33.4	65%	0.649	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.2	127.9	166	-23.1	32.9	0	0	0	109.7	K532	P530-K532 PolarHBondContact O-N 3.5Å
531	G	57.5	Low	81.1	Confident	22 Å²	22	33 Å²	33	23%	0.227	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.3	-24.4	-179.3	0	0	0	0	0	117.2	R409 S529	R409-G531 VanDerWaalsContact NH2-CA 3.27Å; R409-G531 VanDerWaalsContact NH2-N 3.14Å; S529-G531 PolarHBondContact O-N 2.86Å
532	K	61.7	Low	81.2	Confident	127 Å²	127	39.5 Å²	39.5	55%	0.552	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114.2	0.7	179.5	-63.4	178.8	-178.8	170.4	0	113.9	T511 S529 P530 L534 V535	T511-K532 PolarHBondContact OG1-O 3.12Å; S529-K532 PolarHBondContact O-N 2.86Å; S529-K532 VanDerWaalsContact O-N 3.12Å; P530-K532 PolarHBondContact O-N 3.5Å; K532-L534 PolarHBondContact O-N 2.74Å; K532-V535 HydrophobicContact CB-CG2 3.93Å; K532-V535 HydrophobicContact CD-CG2 4.47Å
533	G	71.9	Confident	80.9	Confident	9 Å²	9	44.5 Å²	44.5	9%	0.093	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	65.2	-128.3	-173.5	0	0	0	0	0	111.2	L509 S529	L509-G533 CarbonylContact O-C 3.54Å; L509-G533 WeakPolarHBondContact O-CA 2.92Å; S529-G533 PolarHBondContact N-O 3.2Å; S529-G533 PolarHBondContact O-N 2.99Å; S529-G533 VanDerWaalsContact O-N 3.14Å
534	L	81.3	Confident	80.8	Confident	4 Å²	4	42.5 Å²	42.5	2%	0.021	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	114.6	179.8	-63	172.5	0	0	0	110.4	A505 V508 L509 I510 T511 A526 V528 K532 I536 M555	A505-L534 HydrophobicContact CB-CD1 3.88Å; V508-L534 HydrophobicContact CB-CD1 3.82Å; V508-L534 HydrophobicContact CB-CG 4.22Å; V508-L534 HydrophobicContact CG1-CD1 3.86Å; V508-L534 HydrophobicContact CG1-CG 3.68Å; V508-L534 HydrophobicContact CG2-CD1 4.05Å; L509-L534 PolarHBondContact O-N 2.65Å; I510-L534 WeakPolarHBondContact CA-O 2.98Å; T511-L534 PolarHBondContact N-O 3.3Å; A526-L534 HydrophobicContact CB-CB 4.29Å; A526-L534 HydrophobicContact CB-CD2 4.27Å; V528-L534 HydrophobicContact CG2-CD2 3.94Å; K532-L534 PolarHBondContact O-N 2.74Å; L534-I536 HydrophobicContact CB-CD1 4.35Å; L534-M555 HydrophobicContact CD1-CE 3.32Å; L534-M555 HydrophobicContact CD2-CE 3.33Å; L534-M555 HydrophobicContact CD2-SD 4.38Å; L534-M555 HydrophobicContact CG-CE 3.91Å
535	V	86.6	Confident	80.4	Confident	16 Å²	16	52.6 Å²	52.6	10%	0.097	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	111.2	175.1	-173.3	0	0	0	0	109.2	T511 A513 A526 H527 K532 H537	T511-V535 CarbonylContact O-C 3.54Å; T511-V535 VanDerWaalsContact O-CA 3.22Å; T511-V535 WeakPolarHBondContact O-CA 3.41Å; A513-V535 HydrophobicContact CB-CG1 3.96Å; A526-V535 WeakPolarHBondContact CA-O 3.39Å; H527-V535 HydrophobicContact CB-CB 4.48Å; H527-V535 PolarHBondContact N-O 2.99Å; H527-V535 PolarHBondContact O-N 3.19Å; K532-V535 HydrophobicContact CB-CG2 3.93Å; K532-V535 HydrophobicContact CD-CG2 4.47Å; V535-H537 PolarHBondContact O-CD2 2.94Å; V535-H537 PolarHBondContact O-N 3.44Å
536	I	89.4	Confident	80	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	117	-176.2	-47.7	-57.5	0	0	0	109.9	I502 I510 T511 F512 A513 P518 I524 A526 L534 V557	I502-I536 HydrophobicContact CD1-CG1 4.47Å; I502-I536 HydrophobicContact CD1-CG2 4.28Å; I502-I536 HydrophobicContact CG1-CD1 4.47Å; I502-I536 HydrophobicContact CG1-CG1 4.3Å; I502-I536 HydrophobicContact CG2-CD1 4.46Å; I510-I536 HydrophobicContact CG2-CD1 3.92Å; I510-I536 HydrophobicContact CG2-CG1 3.41Å; I510-I536 VanDerWaalsContact CG2-CG1 3.41Å; T511-I536 PolarHBondContact O-N 2.83Å; F512-I536 HydrophobicContact CD1-CB 3.83Å; F512-I536 HydrophobicContact CD1-CG1 4.24Å; F512-I536 HydrophobicContact CD1-CG2 4.21Å; F512-I536 HydrophobicContact CE1-CB 4.06Å; F512-I536 HydrophobicContact CE1-CG1 4.14Å; F512-I536 HydrophobicContact CE1-CG2 4.16Å; A513-I536 WeakPolarHBondContact CB-O 3.45Å; A513-I536 PolarHBondContact N-O 3.34Å; P518-I536 HydrophobicContact CG-CG2 4.15Å; P518-I536 WeakPolarHBondContact CG-O 3.37Å; I524-I536 HydrophobicContact CB-CG2 3.9Å; I524-I536 HydrophobicContact CD1-CG2 4.08Å; I524-I536 HydrophobicContact CG2-CG2 3.95Å; A526-I536 HydrophobicContact CB-CD1 3.68Å; L534-I536 HydrophobicContact CB-CD1 4.35Å; I536-V557 HydrophobicContact CD1-CG2 4.26Å
537	H	90	Very high	79.5	Confident	18 Å²	18	56 Å²	56	8%	0.083	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	152.6	175.3	-77.3	-99.1	0	0	0	110.9	A513 C515 I524 I525 V535 C541 I544	A513-H537 VanDerWaalsContact CB-CE1 3.43Å; A513-H537 WeakPolarHBondContact CB-CE1 3.04Å; C515-H537 PolarHBondContact SG-CE1 3.32Å; I524-H537 CarbonylContact C-O 3.57Å; I524-H537 WeakPolarHBondContact CA-O 3.19Å; I525-H537 HydrophobicContact CG2-CB 4.25Å; I525-H537 PolarHBondContact N-O 2.71Å; I525-H537 PolarHBondContact O-N 3.27Å; V535-H537 PolarHBondContact O-CD2 2.94Å; V535-H537 PolarHBondContact O-N 3.44Å; H537-C541 HydrophobicContact CB-CB 4.46Å; H537-I544 HydrophobicContact CB-CD1 3.63Å; H537-I544 HydrophobicContact CB-CG1 4.24Å; H537-I544 HydrophobicContact CB-CG2 4.3Å
538	H	88.9	Confident	79	Confident	3 Å²	3	60.9 Å²	60.9	1%	0.014	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	134.7	159.4	-172.9	-68.8	0	0	0	107.7	C516 P518 D522 P523 S540 C541	C516-H538 HydrophobicContact CB-CB 3.71Å; C516-H538 PolarHBondContact SG-N 2.89Å; P518-H538 HydrophobicContact CB-CB 4.34Å; D522-H538 IonicContact OD1-CD2 2.88Å; D522-H538 IonicContact OD1-NE2 3.78Å; D522-H538 IonicContact OD2-CD2 3.26Å; P523-H538 WeakPolarHBondContact O-CA 3.34Å; H538-S540 PolarHBondContact CE1-OG 3.03Å; H538-S540 PolarHBondContact ND1-N 2.77Å; H538-S540 VanDerWaalsContact ND1-N 3.17Å; H538-S540 PolarHBondContact ND1-OG 2.97Å; H538-S540 PolarHBondContact O-N 3.22Å; H538-S540 VanDerWaalsContact O-N 3.17Å; H538-C541 WeakPolarHBondContact O-CB 3.42Å; H538-C541 PolarHBondContact O-N 2.85Å
539	E	86.7	Confident	78.7	Confident	86 Å²	86	68.2 Å²	68.2	40%	0.402	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-39.1	-173.2	-167.2	-173.5	172.7	0	0	112.7	P523 C541 Y547	P523-E539 HydrophobicContact CB-CB 4.09Å; P523-E539 HydrophobicContact CG-CB 4.46Å; P523-E539 PolarHBondContact O-N 3.03Å; E539-C541 PolarHBondContact O-N 3.35Å; E539-Y547 HydrophobicContact CG-CE1 3.93Å; E539-Y547 PolarHBondContact OE1-OH 3.42Å
540	S	84.3	Confident	78.8	Confident	70 Å²	70	70.7 Å²	70.7	49%	0.49	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	13.1	176	80.4	0	0	0	0	115.6	H538	H538-S540 PolarHBondContact CE1-OG 3.03Å; H538-S540 PolarHBondContact ND1-N 2.77Å; H538-S540 VanDerWaalsContact ND1-N 3.17Å; H538-S540 PolarHBondContact ND1-OG 2.97Å; H538-S540 PolarHBondContact O-N 3.22Å; H538-S540 VanDerWaalsContact O-N 3.17Å
541	C	85.8	Confident	79.2	Confident	2 Å²	2	70.1 Å²	70.1	1%	0.014	34%	0.342	C	S	.	.			trans	-70.6	132.4	-175.7	174.8	0	0	0	0	111.5	C515 C516 H537 H538 E539 N543 I544 R545	C515-C541 PolarHBondContact SG-SG 3.46Å; C516-C541 HydrophobicContact CB-CB 3.75Å; H537-C541 HydrophobicContact CB-CB 4.46Å; H538-C541 WeakPolarHBondContact O-CB 3.42Å; H538-C541 PolarHBondContact O-N 2.85Å; E539-C541 PolarHBondContact O-N 3.35Å; C541-N543 PolarHBondContact O-N 3.36Å; C541-N543 VanDerWaalsContact O-N 3.16Å; C541-I544 HydrophobicContact CB-CD1 4.42Å; C541-I544 HydrophobicContact CB-CG1 3.9Å; C541-I544 WeakPolarHBondContact O-CG1 3.48Å; C541-I544 PolarHBondContact O-N 3.04Å; C541-R545 PolarHBondContact O-N 3.01Å
542	R	86.3	Confident	79.4	Confident	185 Å²	185	74.7 Å²	74.7	70%	0.698	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-57.6	-30.4	179.8	-78.9	175.8	-179.5	-172.2	-3.1	114.1	I544 R545 N644	R542-I544 VanDerWaalsContact C-N 3.31Å; R542-I544 PolarHBondContact O-N 3.44Å; R542-R545 WeakPolarHBondContact O-CB 3.29Å; R542-R545 PolarHBondContact O-N 2.9Å; R542-N644 HydrophobicContact CG-CB 4.34Å; R542-N644 WeakPolarHBondContact CG-OD1 3.46Å; R542-N644 PolarHBondContact N-OD1 3.38Å
543	N	83.9	Confident	80	Confident	111 Å²	111	72.5 Å²	72.5	59%	0.594	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-74.5	-19.5	-176.9	-71.1	-24.1	0	0	0	113.9	C515 C541	C515-N543 WeakPolarHBondContact CB-ND2 3.43Å; C515-N543 PolarHBondContact SG-ND2 3.06Å; C541-N543 PolarHBondContact O-N 3.36Å; C541-N543 VanDerWaalsContact O-N 3.16Å
544	I	85.5	Confident	80.5	Confident	10 Å²	10	73.7 Å²	73.7	5%	0.051	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-114.4	18.7	178.4	60.4	156.1	0	0	0	111.3	I525 H537 C541 R542 G546 Y547 F554	I525-I544 HydrophobicContact CG2-CD1 3.19Å; H537-I544 HydrophobicContact CB-CD1 3.63Å; H537-I544 HydrophobicContact CB-CG1 4.24Å; H537-I544 HydrophobicContact CB-CG2 4.3Å; C541-I544 HydrophobicContact CB-CD1 4.42Å; C541-I544 HydrophobicContact CB-CG1 3.9Å; C541-I544 WeakPolarHBondContact O-CG1 3.48Å; C541-I544 PolarHBondContact O-N 3.04Å; R542-I544 VanDerWaalsContact C-N 3.31Å; R542-I544 PolarHBondContact O-N 3.44Å; I544-G546 PolarHBondContact O-N 3.02Å; I544-Y547 HydrophobicContact CD1-CD1 4.32Å; I544-Y547 WeakPolarHBondContact O-CB 3.1Å; I544-Y547 PolarHBondContact O-N 3.49Å; I544-F554 HydrophobicContact CB-CE1 3.8Å; I544-F554 HydrophobicContact CB-CZ 4.16Å; I544-F554 HydrophobicContact CG2-CE1 3.65Å; I544-F554 HydrophobicContact CG2-CZ 4.15Å
545	R	81.8	Confident	80.3	Confident	227 Å²	227	74 Å²	74	86%	0.857	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	124.1	-178.8	-170.3	179.3	-176.1	-176.1	1.4	109.4	C541 R542	C541-R545 PolarHBondContact O-N 3.01Å; R542-R545 WeakPolarHBondContact O-CB 3.29Å; R542-R545 PolarHBondContact O-N 2.9Å
546	G	78.7	Confident	79.8	Confident	35 Å²	35	76.9 Å²	76.9	36%	0.361	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.5	14.4	-176.1	0	0	0	0	0	114.3	I544 Q548 K549	I544-G546 PolarHBondContact O-N 3.02Å; G546-Q548 PolarHBondContact O-N 2.76Å; G546-K549 WeakPolarHBondContact O-CB 3.22Å; G546-K549 PolarHBondContact O-N 2.86Å
547	Y	76.4	Confident	79.4	Confident	47 Å²	47	77.4 Å²	77.4	18%	0.184	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-49.5	-29.6	176	74.7	-101	0	0	0	113.7	I525 E539 I544 K549 E550 F554	I525-Y547 HydrophobicContact CD1-CD1 4.21Å; I525-Y547 HydrophobicContact CD1-CD2 3.23Å; I525-Y547 HydrophobicContact CD1-CE1 4.13Å; I525-Y547 HydrophobicContact CD1-CE2 3.15Å; I525-Y547 HydrophobicContact CD1-CG 3.8Å; E539-Y547 HydrophobicContact CG-CE1 3.93Å; E539-Y547 PolarHBondContact OE1-OH 3.42Å; I544-Y547 HydrophobicContact CD1-CD1 4.32Å; I544-Y547 WeakPolarHBondContact O-CB 3.1Å; I544-Y547 PolarHBondContact O-N 3.49Å; Y547-K549 PolarHBondContact O-N 3.13Å; Y547-E550 CarbonylContact O-C 3.52Å; Y547-E550 PolarHBondContact O-N 3.48Å; Y547-F554 HydrophobicContact CD2-CB 4.28Å; Y547-F554 HydrophobicContact CD2-CG 4.4Å; Y547-F554 HydrophobicContact CG-CG 4.42Å
548	Q	74.4	Confident	78.9	Confident	151 Å²	151	81.1 Å²	81.1	71%	0.706	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-56.9	-19.2	176	-65.1	167.2	-15.6	0	0	113.7	G546	G546-Q548 PolarHBondContact O-N 2.76Å
549	K	73.6	Confident	78.7	Confident	183 Å²	183	82.4 Å²	82.4	80%	0.796	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-86.5	-12.5	177.8	-60.6	-173.8	177.6	-174.7	0	114	G546 Y547 P551	G546-K549 WeakPolarHBondContact O-CB 3.22Å; G546-K549 PolarHBondContact O-N 2.86Å; Y547-K549 PolarHBondContact O-N 3.13Å; K549-P551 VanDerWaalsContact C-CD 3.43Å
550	E	71.2	Confident	78.3	Confident	78 Å²	78	80.6 Å²	80.6	36%	0.364	40%	0.396	S	S	.	.			trans	-130.2	56.6	-177.5	-64.4	-179.2	-131.2	0	0	109.6	Y547 E552 K553 F554	Y547-E550 CarbonylContact O-C 3.52Å; Y547-E550 PolarHBondContact O-N 3.48Å; E550-E552 PolarHBondContact O-N 2.89Å; E550-K553 PolarHBondContact O-N 3.24Å; E550-K553 VanDerWaalsContact OE2-CD 3.31Å; E550-K553 WeakPolarHBondContact OE2-CD 3.43Å; E550-K553 VanDerWaalsContact OE2-CE 3.26Å; E550-K553 WeakPolarHBondContact OE2-CE 3.43Å; E550-K553 IonicContact OE2-NZ 2.81Å; E550-K553 PolarHBondContact OE2-NZ 2.92Å; E550-F554 HydrophobicContact CB-CD2 4.39Å; E550-F554 HydrophobicContact CB-CE2 4.29Å; E550-F554 WeakPolarHBondContact O-CD2 3.35Å
551	P	66.9	Low	77.5	Confident	88 Å²	88	85.3 Å²	85.3	57%	0.571	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-56.9	-26.4	-174	26	-34.9	0	0	0	112.4	K549 K553 F554	K549-P551 VanDerWaalsContact C-CD 3.43Å; P551-K553 PolarHBondContact O-N 3.44Å; P551-F554 PolarHBondContact O-N 3.12Å
552	E	63.1	Low	76.4	Confident	119 Å²	119	91.9 Å²	91.9	56%	0.556	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-65.4	-18.3	176.2	67.7	-87	-177.9	0	0	115	E550	E550-E552 PolarHBondContact O-N 2.89Å
553	K	73.9	Confident	75.4	Confident	81 Å²	81	84.8 Å²	84.8	35%	0.352	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-102.6	-10	-179.5	-63.5	-171.5	-172.7	165.3	0	114	H527 V528 E550 P551	H527-K553 CarbonylContact C-O 3.55Å; H527-K553 WeakPolarHBondContact CA-O 3.28Å; V528-K553 PolarHBondContact N-O 3.23Å; E550-K553 PolarHBondContact O-N 3.24Å; E550-K553 VanDerWaalsContact OE2-CD 3.31Å; E550-K553 WeakPolarHBondContact OE2-CD 3.43Å; E550-K553 VanDerWaalsContact OE2-CE 3.26Å; E550-K553 WeakPolarHBondContact OE2-CE 3.43Å; E550-K553 IonicContact OE2-NZ 2.81Å; E550-K553 PolarHBondContact OE2-NZ 2.92Å; P551-K553 PolarHBondContact O-N 3.44Å
554	F	81.5	Confident	74.6	Confident	33 Å²	33	84.7 Å²	84.7	15%	0.145	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	149	-172.5	-66.8	-85.6	0	0	0	110.9	I525 A526 H527 I544 Y547 E550 P551	I525-F554 HydrophobicContact CD1-CB 3.87Å; I525-F554 HydrophobicContact CD1-CD1 4.33Å; I525-F554 HydrophobicContact CD1-CG 4.44Å; I525-F554 HydrophobicContact CG1-CB 4.3Å; A526-F554 CarbonylContact O-C 3.51Å; A526-F554 VanDerWaalsContact O-CA 3.3Å; A526-F554 WeakPolarHBondContact O-CA 3.4Å; H527-F554 HydrophobicContact CB-CD1 3.95Å; H527-F554 HydrophobicContact CB-CE1 3.75Å; H527-F554 AromaticContact CD2-CE1 3.53Å; H527-F554 AromaticContact CD2-CZ 3.55Å; H527-F554 AromaticContact CG-CE1 3.97Å; I544-F554 HydrophobicContact CB-CE1 3.8Å; I544-F554 HydrophobicContact CB-CZ 4.16Å; I544-F554 HydrophobicContact CG2-CE1 3.65Å; I544-F554 HydrophobicContact CG2-CZ 4.15Å; Y547-F554 HydrophobicContact CD2-CB 4.28Å; Y547-F554 HydrophobicContact CD2-CG 4.4Å; Y547-F554 HydrophobicContact CG-CG 4.42Å; E550-F554 HydrophobicContact CB-CD2 4.39Å; E550-F554 HydrophobicContact CB-CE2 4.29Å; E550-F554 WeakPolarHBondContact O-CD2 3.35Å; P551-F554 PolarHBondContact O-N 3.12Å
555	M	76.3	Confident	74.1	Confident	10 Å²	10	89.3 Å²	89.3	5%	0.049	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	123.1	-167.7	-175.8	174.6	79.2	0	0	109.5	K481 I525 A526 L534 V557	K481-M555 HydrophobicContact CB-SD 4.22Å; K481-M555 HydrophobicContact CD-CE 3.83Å; K481-M555 HydrophobicContact CD-CG 3.27Å; K481-M555 HydrophobicContact CD-SD 3.1Å; K481-M555 WeakPolarHBondContact CD-SD 3.47Å; K481-M555 HydrophobicContact CG-SD 4.31Å; I525-M555 WeakPolarHBondContact CG1-O 3.38Å; A526-M555 HydrophobicContact CB-CB 4.23Å; A526-M555 HydrophobicContact CB-CE 4.03Å; A526-M555 PolarHBondContact N-O 3.13Å; A526-M555 PolarHBondContact O-N 3.36Å; L534-M555 HydrophobicContact CD1-CE 3.32Å; L534-M555 HydrophobicContact CD2-CE 3.33Å; L534-M555 HydrophobicContact CD2-SD 4.38Å; L534-M555 HydrophobicContact CG-CE 3.91Å; M555-V557 HydrophobicContact CE-CG1 4.13Å; M555-V557 PolarHBondContact O-N 2.81Å
556	A	78	Confident	74.3	Confident	78 Å²	78	81.8 Å²	81.8	65%	0.645	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.7	131.3	176	0	0	0	0	0	109.9	K481	K481-A556 WeakPolarHBondContact CE-O 3.47Å; K481-A556 PolarHBondContact NZ-O 3.22Å
557	V	80.6	Confident	74.8	Confident	11 Å²	11	80.6 Å²	80.6	7%	0.067	41%	0.411	C	S	.	.			trans	-137.1	153.9	-179.3	-82.7	0	0	0	0	108.5	I502 I524 A526 I536 M555	I502-V557 HydrophobicContact CG2-CB 3.73Å; I502-V557 HydrophobicContact CG2-CG1 3.81Å; I524-V557 HydrophobicContact CB-CG2 4.28Å; I524-V557 HydrophobicContact CD1-CB 4.2Å; I524-V557 HydrophobicContact CD1-CG2 3.76Å; I524-V557 HydrophobicContact CG1-CG2 3.97Å; I524-V557 WeakPolarHBondContact CG1-O 3.43Å; A526-V557 HydrophobicContact CB-CB 4.48Å; A526-V557 HydrophobicContact CB-CG1 3.7Å; A526-V557 HydrophobicContact CB-CG2 3.88Å; I536-V557 HydrophobicContact CD1-CG2 4.26Å; M555-V557 HydrophobicContact CE-CG1 4.13Å; M555-V557 PolarHBondContact O-N 2.81Å
558	E	79.5	Confident	75.5	Confident	96 Å²	96	81.9 Å²	81.9	45%	0.449	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	154.8	176.1	-68	-171.7	172.4	0	0	110.9	I502 K503	I502-E558 CarbonylContact C-O 3.49Å; I502-E558 WeakPolarHBondContact CA-O 3.38Å; K503-E558 HydrophobicContact CB-CB 4.42Å; K503-E558 PolarHBondContact N-O 2.86Å
559	W	84.8	Confident	76.4	Confident	30 Å²	30	74.7 Å²	74.7	11%	0.114	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	143.6	171.8	-67.9	97.6	0	0	0	110.6	P501 I502 F512 P518 I519 P520 D522 I524 F567	P501-W559 HydrophobicContact CB-CE3 4.44Å; P501-W559 HydrophobicContact CB-CZ3 4.3Å; P501-W559 WeakPolarHBondContact O-CA 3.46Å; I502-W559 HydrophobicContact CD1-CD2 4.07Å; I502-W559 HydrophobicContact CD1-CE3 3.76Å; I502-W559 HydrophobicContact CD1-CH2 4.38Å; I502-W559 HydrophobicContact CD1-CZ3 3.93Å; F512-W559 HydrophobicContact CD1-CH2 4.29Å; F512-W559 AromaticContact CE1-CH2 3.53Å; F512-W559 HydrophobicContact CE1-CH2 3.53Å; F512-W559 HydrophobicContact CE1-CZ2 4.46Å; F512-W559 AromaticContact CE1-CZ3 3.83Å; F512-W559 HydrophobicContact CE1-CZ3 3.83Å; F512-W559 HydrophobicContact CZ-CH2 4.21Å; F512-W559 HydrophobicContact CZ-CZ3 4.06Å; P518-W559 HydrophobicContact CB-CZ2 4.02Å; I519-W559 VanDerWaalsContact C-CH2 3.42Å; I519-W559 VanDerWaalsContact O-CE2 3.24Å; I519-W559 WeakPolarHBondContact O-CZ2 3.38Å; I519-W559 PolarHBondContact O-NE1 3.22Å; P520-W559 VanDerWaalsContact CA-CD2 3.47Å; P520-W559 HydrophobicContact CB-CD2 4.22Å; P520-W559 HydrophobicContact CB-CE3 4.04Å; P520-W559 HydrophobicContact CB-CZ3 4.46Å; P520-W559 HydrophobicContact CG-CD2 4.31Å; P520-W559 HydrophobicContact CG-CE3 3.67Å; P520-W559 HydrophobicContact CG-CH2 4.32Å; P520-W559 HydrophobicContact CG-CZ3 3.68Å; D522-W559 PolarHBondContact O-NE1 3.34Å; I524-W559 HydrophobicContact CD1-CD2 4.09Å; I524-W559 HydrophobicContact CD1-CG 4.1Å; I524-W559 HydrophobicContact CD1-CZ2 4.45Å; I524-W559 HydrophobicContact CG2-CZ2 3.77Å; W559-F567 HydrophobicContact CH2-CD1 4.27Å; W559-F567 HydrophobicContact CH2-CE1 4.13Å; W559-F567 HydrophobicContact CZ3-CD1 4.29Å; W559-F567 AromaticContact CZ3-CE1 3.73Å; W559-F567 HydrophobicContact CZ3-CE1 3.73Å; W559-F567 HydrophobicContact CZ3-CE2 4.4Å; W559-F567 AromaticContact CZ3-CZ 3.81Å; W559-F567 HydrophobicContact CZ3-CZ 3.81Å
560	D	78.4	Confident	77.3	Confident	47 Å²	47	66.5 Å²	66.5	25%	0.251	35%	0.351	S	S	.	.			trans	-72.6	149.8	166.1	-158.4	3.7	0	0	0	111.1	P501 K503 E562	P501-D560 PolarHBondContact O-N 2.82Å; K503-D560 WeakPolarHBondContact CE-OD1 3.49Å; K503-D560 HydrophobicContact CG-CB 4.05Å; K503-D560 IonicContact NZ-OD1 3.28Å; D560-E562 VanDerWaalsContact C-N 3.27Å; D560-E562 PolarHBondContact O-N 2.81Å
561	K	65.7	Low	78.5	Confident	170 Å²	170	62.8 Å²	62.8	74%	0.739	33%	0.334	S	S	*	.	S	Bend	trans	-72.6	-22	-176.8	-69.4	-173.3	176.5	-177.7	0	112.2
562	E	63.4	Low	79.8	Confident	139 Å²	139	60.8 Å²	60.8	65%	0.65	32%	0.316	S	S	*	.			trans	-129.8	101.3	-178.3	-69.3	-176.1	178.1	0	0	111.2	H499 D560	H499-E562 PolarHBondContact ND1-O 2.91Å; D560-E562 VanDerWaalsContact C-N 3.27Å; D560-E562 PolarHBondContact O-N 2.81Å
563	T	65.6	Low	81.2	Confident	37 Å²	37	55.1 Å²	55.1	23%	0.227	29%	0.29	C	S	.	.			trans	-127.5	118.9	171.2	156.9	0	0	0	0	109.7	P520 Q565 F567	P520-T563 HydrophobicContact CB-CG2 4.29Å; P520-T563 HydrophobicContact CG-CG2 3.74Å; T563-Q565 PolarHBondContact OG1-N 3.34Å; T563-F567 HydrophobicContact CG2-CE2 4.22Å
564	A	66.5	Low	82.1	Confident	109 Å²	109	52.6 Å²	52.6	90%	0.901	28%	0.279	S	S	*	.			trans	-80.3	-4.7	172.4	0	0	0	0	0	113.1
565	Q	76.8	Confident	82.6	Confident	106 Å²	106	51.1 Å²	51.1	50%	0.495	27%	0.273	S	S	.	.			trans	-78.3	139.3	-177	-171.6	173.7	11	0	0	111.6	T563 F567	T563-Q565 PolarHBondContact OG1-N 3.34Å; Q565-F567 HydrophobicContact CB-CE2 4.22Å; Q565-F567 HydrophobicContact CB-CZ 4.25Å; Q565-F567 HydrophobicContact CG-CZ 4.47Å; Q565-F567 WeakPolarHBondContact O-CD2 3.36Å; Q565-F567 VanDerWaalsContact O-CE2 3.24Å; Q565-F567 WeakPolarHBondContact O-CE2 3.27Å
566	E	84.2	Confident	83.2	Confident	70 Å²	70	55.7 Å²	55.7	33%	0.327	29%	0.292	S	S	.	.			trans	-85.7	136.8	167.1	-56.9	-162.3	142.5	0	0	111.3	T616	E566-T616 HydrophobicContact CB-CG2 4.48Å; E566-T616 WeakPolarHBondContact OE2-CB 3.39Å; E566-T616 PolarHBondContact OE2-OG1 2.85Å
567	F	89.9	Confident	83.3	Confident	9 Å²	9	55.2 Å²	55.2	4%	0.039	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	144.6	179.7	-64	-92.5	0	0	0	111	P501 F512 I519 P520 W559 T563 Q565 T616 A617	P501-F567 HydrophobicContact CB-CE1 4.21Å; P501-F567 HydrophobicContact CB-CZ 3.6Å; P501-F567 HydrophobicContact CG-CE1 4.32Å; P501-F567 HydrophobicContact CG-CZ 4.1Å; F512-F567 HydrophobicContact CD2-CE1 4.36Å; F512-F567 HydrophobicContact CE1-CE1 4.11Å; F512-F567 HydrophobicContact CE2-CD1 4.34Å; F512-F567 AromaticContact CE2-CE1 3.69Å; F512-F567 HydrophobicContact CE2-CE1 3.69Å; F512-F567 HydrophobicContact CZ-CD1 4.29Å; F512-F567 AromaticContact CZ-CE1 3.54Å; F512-F567 HydrophobicContact CZ-CE1 3.54Å; F512-F567 HydrophobicContact CZ-CZ 4.47Å; I519-F567 HydrophobicContact CB-CB 4.24Å; I519-F567 HydrophobicContact CG2-CB 3.73Å; P520-F567 HydrophobicContact CG-CD2 3.63Å; P520-F567 HydrophobicContact CG-CE2 3.35Å; P520-F567 HydrophobicContact CG-CG 4.49Å; P520-F567 HydrophobicContact CG-CZ 4.02Å; W559-F567 HydrophobicContact CH2-CD1 4.27Å; W559-F567 HydrophobicContact CH2-CE1 4.13Å; W559-F567 HydrophobicContact CZ3-CD1 4.29Å; W559-F567 AromaticContact CZ3-CE1 3.73Å; W559-F567 HydrophobicContact CZ3-CE1 3.73Å; W559-F567 HydrophobicContact CZ3-CE2 4.4Å; W559-F567 AromaticContact CZ3-CZ 3.81Å; W559-F567 HydrophobicContact CZ3-CZ 3.81Å; T563-F567 HydrophobicContact CG2-CE2 4.22Å; Q565-F567 HydrophobicContact CB-CE2 4.22Å; Q565-F567 HydrophobicContact CB-CZ 4.25Å; Q565-F567 HydrophobicContact CG-CZ 4.47Å; Q565-F567 WeakPolarHBondContact O-CD2 3.36Å; Q565-F567 VanDerWaalsContact O-CE2 3.24Å; Q565-F567 WeakPolarHBondContact O-CE2 3.27Å; F567-T616 CarbonylContact O-C 3.48Å; F567-T616 VanDerWaalsContact O-CA 3.32Å; F567-T616 WeakPolarHBondContact O-CA 3.13Å; F567-A617 PolarHBondContact N-O 3.02Å; F567-A617 PolarHBondContact O-N 3.04Å
568	I	91.2	Very high	83.4	Confident	74 Å²	74	58.3 Å²	58.3	38%	0.379	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	126.5	175.3	-55.7	168.6	0	0	0	108	R517 R614	R517-I568 WeakPolarHBondContact CB-O 3.48Å; I568-R614 HydrophobicContact CG2-CB 4.49Å
569	T	93.2	Very high	83.5	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	161	170.4	-177.1	0	0	0	0	109.8	R614 L615 A617 L623 R641	T569-R614 WeakPolarHBondContact O-CA 3.08Å; T569-L615 HydrophobicContact CG2-CD1 3.6Å; T569-L615 HydrophobicContact CG2-CG 4.45Å; T569-L615 PolarHBondContact N-O 3.04Å; T569-L615 PolarHBondContact O-N 3.14Å; T569-L615 VanDerWaalsContact O-O 3.1Å; T569-A617 HydrophobicContact CG2-CB 3.77Å; T569-L623 HydrophobicContact CG2-CD1 3.73Å; T569-L623 HydrophobicContact CG2-CD2 4.04Å; T569-L623 HydrophobicContact CG2-CG 4.42Å; T569-R641 PolarHBondContact OG1-NE 2.86Å; T569-R641 VanDerWaalsContact OG1-NE 3.11Å
570	E	93.4	Very high	83.5	Confident	12 Å²	12	63.4 Å²	63.4	6%	0.056	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	136	176.7	-171.7	176	80.9	0	0	111.3	R517 I613 R614 N642	R517-E570 IonicContact NH1-OE1 2.86Å; R517-E570 IonicContact NH1-OE2 3.82Å; R517-E570 PolarHBondContact NH1-OE2 2.88Å; E570-I613 WeakPolarHBondContact CA-O 3.27Å; E570-R614 HydrophobicContact CB-CG 4.06Å; E570-R614 HydrophobicContact CG-CG 3.95Å; E570-R614 VanDerWaalsContact OE2-CG 3.29Å; E570-R614 WeakPolarHBondContact OE2-CG 3.43Å; E570-N642 HydrophobicContact CB-CB 4.21Å; E570-N642 HydrophobicContact CG-CB 4.23Å; E570-N642 PolarHBondContact O-N 2.68Å; E570-N642 WeakPolarHBondContact OE1-CB 3.36Å; E570-N642 PolarHBondContact OE1-ND2 3.35Å
571	I	94.5	Very high	83.9	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	145.6	170.5	61.4	169.9	0	0	0	110	V573 F612 I613 L615 L623 M627 I630 V639 T640	I571-V573 HydrophobicContact CD1-CG2 3.97Å; I571-V573 HydrophobicContact CG1-CG2 4.35Å; I571-F612 WeakPolarHBondContact O-CA 3.36Å; I571-I613 HydrophobicContact CD1-CB 4.49Å; I571-I613 HydrophobicContact CD1-CD1 4.35Å; I571-I613 HydrophobicContact CG1-CB 3.91Å; I571-I613 HydrophobicContact CG1-CD1 4.49Å; I571-I613 PolarHBondContact N-O 2.68Å; I571-I613 PolarHBondContact O-N 3.43Å; I571-L615 HydrophobicContact CD1-CD2 3.64Å; I571-L615 HydrophobicContact CG1-CD2 3.91Å; I571-L623 HydrophobicContact CG2-CD1 3.79Å; I571-M627 HydrophobicContact CG2-CG 4.21Å; I571-M627 HydrophobicContact CG2-SD 4.42Å; I571-I630 HydrophobicContact CD1-CD1 3.37Å; I571-V639 HydrophobicContact CD1-CG1 4.49Å; I571-T640 CarbonylContact C-O 3.46Å; I571-T640 WeakPolarHBondContact CA-O 3.35Å
572	K	94.2	Very high	84.9	Confident	46 Å²	46	56.1 Å²	56.1	20%	0.2	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	122.4	168	-174.7	-165.8	-175.6	-163.1	0	108.4	E574 A611 F612 V639 T640	K572-E574 IonicContact NZ-OE1 3.32Å; K572-E574 PolarHBondContact NZ-OE1 3.15Å; K572-A611 CarbonylContact C-O 3.51Å; K572-A611 WeakPolarHBondContact CA-O 3.44Å; K572-F612 HydrophobicContact CB-CD1 4.29Å; K572-F612 HydrophobicContact CB-CE1 4.22Å; K572-F612 HydrophobicContact CD-CE1 3.96Å; K572-F612 HydrophobicContact CD-CZ 4.01Å; K572-F612 HydrophobicContact CG-CD1 4.21Å; K572-F612 HydrophobicContact CG-CE1 3.8Å; K572-F612 HydrophobicContact CG-CZ 3.97Å; K572-V639 WeakPolarHBondContact O-CA 3.34Å; K572-T640 PolarHBondContact N-O 2.86Å; K572-T640 PolarHBondContact O-N 2.94Å
573	V	93.9	Very high	86.1	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	119	176.6	-176.6	0	0	0	0	107.9	I571 M575 L585 S610 A611 I613 I630 V636 K638 V639	I571-V573 HydrophobicContact CD1-CG2 3.97Å; I571-V573 HydrophobicContact CG1-CG2 4.35Å; V573-M575 HydrophobicContact CG1-CB 4.42Å; V573-M575 HydrophobicContact CG1-SD 4.45Å; V573-L585 HydrophobicContact CG1-CD1 4.33Å; V573-L585 HydrophobicContact CG1-CD2 4.45Å; V573-L585 HydrophobicContact CG2-CD1 4.42Å; V573-S610 CarbonylContact O-C 3.13Å; V573-S610 VanDerWaalsContact O-CA 3.32Å; V573-S610 WeakPolarHBondContact O-CA 3.25Å; V573-A611 HydrophobicContact CB-CB 4.35Å; V573-A611 PolarHBondContact N-O 3.45Å; V573-A611 PolarHBondContact O-N 3.18Å; V573-I613 HydrophobicContact CG2-CD1 3.94Å; V573-I630 HydrophobicContact CG1-CG2 3.96Å; V573-I630 HydrophobicContact CG2-CD1 4.48Å; V573-I630 HydrophobicContact CG2-CG2 4.08Å; V573-V636 HydrophobicContact CG1-CG1 4.1Å; V573-V636 HydrophobicContact CG1-CG2 3.97Å; V573-K638 CarbonylContact C-O 3.55Å; V573-K638 WeakPolarHBondContact CA-O 3.39Å; V573-V639 HydrophobicContact CG1-CG2 4.38Å; V573-V639 HydrophobicContact CG2-CG1 4.19Å; V573-V639 HydrophobicContact CG2-CG2 4.48Å
574	E	92.6	Very high	87.3	Confident	28 Å²	28	54.6 Å²	54.6	13%	0.131	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	126.4	168	-60.6	-176.6	156.2	0	0	107.9	K572 K604 Y609 I637 K638	K572-E574 IonicContact NZ-OE1 3.32Å; K572-E574 PolarHBondContact NZ-OE1 3.15Å; E574-K604 IonicContact OE1-NZ 4Å; E574-K604 PolarHBondContact OE1-NZ 3.09Å; E574-Y609 CarbonylContact C-O 3.57Å; E574-Y609 VanDerWaalsContact CA-O 3.27Å; E574-Y609 WeakPolarHBondContact CA-O 3.32Å; E574-I637 HydrophobicContact CB-CB 4.44Å; E574-I637 WeakPolarHBondContact O-CA 3.16Å; E574-I637 WeakPolarHBondContact O-CB 3.32Å; E574-I637 PolarHBondContact O-N 2.9Å; E574-K638 HydrophobicContact CB-CB 4.16Å; E574-K638 PolarHBondContact N-O 2.69Å; E574-K638 PolarHBondContact O-N 2.82Å
575	M	91.1	Very high	88.4	Confident	1 Å²	1	49.4 Å²	49.4	1%	0.005	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	155.2	-171.8	62.2	-173.7	-60.1	0	0	112	V573 A581 L582 L585 V608 Y609 D635 V636	V573-M575 HydrophobicContact CG1-CB 4.42Å; V573-M575 HydrophobicContact CG1-SD 4.45Å; M575-A581 HydrophobicContact CE-CB 3.37Å; M575-L582 HydrophobicContact SD-CD2 4.28Å; M575-L585 HydrophobicContact SD-CD2 3.8Å; M575-V608 CarbonylContact O-C 3.6Å; M575-V608 WeakPolarHBondContact O-CA 3.27Å; M575-Y609 PolarHBondContact N-O 3.5Å; M575-Y609 PolarHBondContact O-N 3.45Å; M575-D635 CarbonylContact C-O 3.6Å; M575-D635 WeakPolarHBondContact CA-O 2.98Å; M575-D635 WeakPolarHBondContact CB-O 3.4Å; M575-D635 HydrophobicContact CE-CB 4.41Å; M575-V636 HydrophobicContact CB-CG2 4.35Å
576	F	89	Confident	89.1	Confident	106 Å²	106	46.5 Å²	46.5	47%	0.465	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	139.4	173.8	-68.2	-71.9	0	0	0	111.3	H578 R607 V608 D635 I637	F576-H578 PolarHBondContact O-N 2.95Å; F576-R607 WeakPolarHBondContact CA-O 3.29Å; F576-V608 HydrophobicContact CD1-CG2 4.3Å; F576-V608 HydrophobicContact CE1-CG2 4.36Å; F576-D635 PolarHBondContact N-O 3.38Å; F576-I637 HydrophobicContact CD1-CD1 4.1Å; F576-I637 HydrophobicContact CD2-CD1 4.13Å; F576-I637 HydrophobicContact CD2-CG1 3.83Å; F576-I637 HydrophobicContact CE1-CD1 3.82Å; F576-I637 HydrophobicContact CE1-CG1 4.4Å; F576-I637 HydrophobicContact CE2-CD1 3.86Å; F576-I637 HydrophobicContact CE2-CG1 3.5Å; F576-I637 HydrophobicContact CG-CD1 4.25Å; F576-I637 HydrophobicContact CG-CG1 4.42Å; F576-I637 HydrophobicContact CZ-CD1 3.7Å; F576-I637 HydrophobicContact CZ-CG1 3.82Å
577	N	81.2	Confident	89.4	Confident	68 Å²	68	45.6 Å²	45.6	36%	0.364	25%	0.251	S	S	.	.			trans	-83.3	104	176.6	177.5	10.1	0	0	0	110.2	R607 Y609	N577-R607 PolarHBondContact N-O 3.22Å; N577-Y609 HydrophobicContact CB-CD2 3.46Å; N577-Y609 VanDerWaalsContact CB-CD2 3.46Å; N577-Y609 HydrophobicContact CB-CE2 3.38Å; N577-Y609 HydrophobicContact CB-CG 4.42Å; N577-Y609 VanDerWaalsContact ND2-CE2 3.3Å; N577-Y609 WeakPolarHBondContact ND2-CE2 3.48Å; N577-Y609 PolarHBondContact ND2-OH 3.2Å; N577-Y609 VanDerWaalsContact ND2-OH 3.15Å; N577-Y609 WeakPolarHBondContact OD1-CE2 3.43Å
578	H	81.4	Confident	89.5	Confident	77 Å²	77	45.8 Å²	45.8	36%	0.356	25%	0.254	S	S	.	.			trans	-141.6	167.3	161.5	64.8	86	0	0	0	110.6	F576 G580 A581 D635	F576-H578 PolarHBondContact O-N 2.95Å; H578-G580 PolarHBondContact O-N 3.02Å; H578-A581 WeakPolarHBondContact O-CB 3.2Å; H578-A581 PolarHBondContact O-N 3.19Å; H578-D635 IonicContact CD2-OD1 2.95Å; H578-D635 VanDerWaalsContact CE1-CG 3.5Å; H578-D635 IonicContact CE1-OD1 3.07Å; H578-D635 IonicContact CE1-OD2 3.84Å; H578-D635 WeakPolarHBondContact NE2-CB 3.42Å; H578-D635 IonicContact NE2-OD1 2.72Å; H578-D635 PolarHBondContact NE2-OD1 3.31Å; H578-D635 IonicContact NE2-OD2 3.78Å; H578-D635 PolarHBondContact NE2-OD2 3.34Å
579	Q	82.1	Confident	89.5	Confident	196 Å²	196	42.2 Å²	42.2	92%	0.916	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	131.8	179.2	-170.4	174.7	3.9	0	0	111	A581	Q579-A581 VanDerWaalsContact C-N 3.34Å; Q579-A581 PolarHBondContact O-N 3.2Å
580	G	84.3	Confident	89.2	Confident	36 Å²	36	47.1 Å²	47.1	37%	0.371	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.1	-11.7	178.6	0	0	0	0	0	115.7	H578 L582 A583 N584	H578-G580 PolarHBondContact O-N 3.02Å; G580-L582 PolarHBondContact O-N 3.47Å; G580-A583 WeakPolarHBondContact O-CB 3.32Å; G580-A583 PolarHBondContact O-N 2.78Å; G580-N584 PolarHBondContact O-N 3.17Å
581	A	87.1	Confident	89.1	Confident	3 Å²	3	51.1 Å²	51.1	3%	0.025	29%	0.287	C	S	.	.	H	α-helix	trans	-59	-43.2	-174.2	0	0	0	0	0	113.1	M575 H578 Q579 N584 L585 D635	M575-A581 HydrophobicContact CE-CB 3.37Å; H578-A581 WeakPolarHBondContact O-CB 3.2Å; H578-A581 PolarHBondContact O-N 3.19Å; Q579-A581 VanDerWaalsContact C-N 3.34Å; Q579-A581 PolarHBondContact O-N 3.2Å; A581-N584 PolarHBondContact O-N 3.3Å; A581-L585 WeakPolarHBondContact O-CB 3.32Å; A581-L585 PolarHBondContact O-N 2.83Å; A581-D635 HydrophobicContact CB-CB 4.45Å
582	L	87.4	Confident	88.7	Confident	62 Å²	62	52.2 Å²	52.2	33%	0.325	29%	0.294	S	S	.	.	H	α-helix	trans	-67.9	-33.1	175.5	-73.8	170.8	0	0	0	113.2	M575 G580 L585 T586 L599 T601	M575-L582 HydrophobicContact SD-CD2 4.28Å; G580-L582 PolarHBondContact O-N 3.47Å; L582-L585 HydrophobicContact CD2-CD2 4.3Å; L582-L585 PolarHBondContact O-N 3.46Å; L582-T586 WeakPolarHBondContact O-CG2 3.3Å; L582-T586 PolarHBondContact O-N 3.45Å; L582-T586 PolarHBondContact O-OG1 3.24Å; L582-L599 HydrophobicContact CD2-CD2 4.46Å; L582-T601 HydrophobicContact CD1-CG2 4.04Å; L582-T601 HydrophobicContact CD2-CG2 3.64Å; L582-T601 HydrophobicContact CG-CG2 4.49Å
583	A	89	Confident	88.4	Confident	58 Å²	58	54 Å²	54	48%	0.479	31%	0.309	S	S	.	.	H	α-helix	trans	-67.5	-43.3	175.4	0	0	0	0	0	110.4	G580 L585 T586 A587	G580-A583 WeakPolarHBondContact O-CB 3.32Å; G580-A583 PolarHBondContact O-N 2.78Å; A583-L585 VanDerWaalsContact C-N 3.3Å; A583-L585 PolarHBondContact O-N 3.24Å; A583-T586 WeakPolarHBondContact CA-OG1 3.18Å; A583-T586 PolarHBondContact O-N 3.16Å; A583-T586 PolarHBondContact O-OG1 2.8Å; A583-A587 VanDerWaalsContact O-CB 3.29Å; A583-A587 WeakPolarHBondContact O-CB 3.26Å; A583-A587 PolarHBondContact O-N 3.21Å
584	N	89.8	Confident	88.2	Confident	85 Å²	85	54.2 Å²	54.2	46%	0.455	31%	0.31	S	S	.	.	H	α-helix	trans	-61.3	-39.8	174.2	-65.9	-17.5	0	0	0	111.6	G580 A581 A588 M633	G580-N584 PolarHBondContact O-N 3.17Å; A581-N584 PolarHBondContact O-N 3.3Å; N584-A588 VanDerWaalsContact O-CB 3.31Å; N584-A588 WeakPolarHBondContact O-CB 3.31Å; N584-A588 PolarHBondContact O-N 3.11Å; N584-M633 HydrophobicContact CB-CE 3.69Å
585	L	91	Very high	88.1	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-65.1	-48.1	179.3	178.7	62.6	0	0	0	112.1	V573 M575 A581 L582 A583 A588 I589 A611 I613 I630 M633	V573-L585 HydrophobicContact CG1-CD1 4.33Å; V573-L585 HydrophobicContact CG1-CD2 4.45Å; V573-L585 HydrophobicContact CG2-CD1 4.42Å; M575-L585 HydrophobicContact SD-CD2 3.8Å; A581-L585 WeakPolarHBondContact O-CB 3.32Å; A581-L585 PolarHBondContact O-N 2.83Å; L582-L585 HydrophobicContact CD2-CD2 4.3Å; L582-L585 PolarHBondContact O-N 3.46Å; A583-L585 VanDerWaalsContact C-N 3.3Å; A583-L585 PolarHBondContact O-N 3.24Å; L585-A588 PolarHBondContact O-N 3.5Å; L585-I589 HydrophobicContact CD1-CD1 4.28Å; L585-I589 HydrophobicContact CG-CD1 4.29Å; L585-I589 WeakPolarHBondContact O-CG1 3.3Å; L585-I589 PolarHBondContact O-N 2.89Å; L585-A611 HydrophobicContact CD2-CB 4.24Å; L585-I613 HydrophobicContact CD1-CD1 4.33Å; L585-I613 HydrophobicContact CD2-CD1 3.67Å; L585-I613 HydrophobicContact CG-CD1 4.06Å; L585-I630 HydrophobicContact CD1-CB 4.44Å; L585-I630 HydrophobicContact CD1-CD1 4.22Å; L585-I630 HydrophobicContact CD1-CG1 4.02Å; L585-I630 HydrophobicContact CD1-CG2 3.6Å; L585-M633 HydrophobicContact CB-CE 4.09Å; L585-M633 HydrophobicContact CD1-SD 4.14Å
586	T	91.3	Very high	88.1	Confident	45 Å²	45	60.3 Å²	60.3	28%	0.276	34%	0.343	S	S	.	.	H	α-helix	trans	-65.1	-40.7	177.8	48	0	0	0	0	111.6	L582 A583 I589 N590 I596 L599	L582-T586 WeakPolarHBondContact O-CG2 3.3Å; L582-T586 PolarHBondContact O-N 3.45Å; L582-T586 PolarHBondContact O-OG1 3.24Å; A583-T586 WeakPolarHBondContact CA-OG1 3.18Å; A583-T586 PolarHBondContact O-N 3.16Å; A583-T586 PolarHBondContact O-OG1 2.8Å; T586-I589 PolarHBondContact O-N 3.43Å; T586-N590 PolarHBondContact O-N 2.97Å; T586-I596 HydrophobicContact CG2-CD1 3.93Å; T586-L599 HydrophobicContact CG2-CD1 3.9Å
587	A	90.3	Very high	88	Confident	51 Å²	51	59.8 Å²	59.8	42%	0.421	34%	0.342	S	S	.	.	H	α-helix	trans	-60.6	-46	173.4	0	0	0	0	0	111.9	A583 I589 N590 T591	A583-A587 VanDerWaalsContact O-CB 3.29Å; A583-A587 WeakPolarHBondContact O-CB 3.26Å; A583-A587 PolarHBondContact O-N 3.21Å; A587-I589 VanDerWaalsContact C-N 3.33Å; A587-I589 PolarHBondContact O-N 2.66Å; A587-N590 PolarHBondContact O-N 3.25Å; A587-T591 WeakPolarHBondContact O-CG2 3.36Å; A587-T591 PolarHBondContact O-N 3.3Å; A587-T591 VanDerWaalsContact O-N 3.11Å
588	A	91	Very high	88.5	Confident	13 Å²	13	57.7 Å²	57.7	11%	0.107	33%	0.333	C	S	.	.	H	α-helix	trans	-59.7	-42.1	177.9	0	0	0	0	0	112.2	N584 L585 T591 K629 M633	N584-A588 VanDerWaalsContact O-CB 3.31Å; N584-A588 WeakPolarHBondContact O-CB 3.31Å; N584-A588 PolarHBondContact O-N 3.11Å; L585-A588 PolarHBondContact O-N 3.5Å; A588-T591 PolarHBondContact O-N 3.28Å; A588-T591 PolarHBondContact O-OG1 3.21Å; A588-K629 HydrophobicContact CB-CG 4.39Å; A588-M633 HydrophobicContact CB-SD 3.82Å
589	I	91	Very high	88.9	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-66	-44.3	176.4	-65.5	167.4	0	0	0	110.9	L585 T586 A587 T591 T592 I596 I613 L615 I630	L585-I589 HydrophobicContact CD1-CD1 4.28Å; L585-I589 HydrophobicContact CG-CD1 4.29Å; L585-I589 WeakPolarHBondContact O-CG1 3.3Å; L585-I589 PolarHBondContact O-N 2.89Å; T586-I589 PolarHBondContact O-N 3.43Å; A587-I589 VanDerWaalsContact C-N 3.33Å; A587-I589 PolarHBondContact O-N 2.66Å; I589-T591 PolarHBondContact O-N 3.3Å; I589-T592 PolarHBondContact O-N 2.89Å; I589-T592 PolarHBondContact O-OG1 3.02Å; I589-I596 HydrophobicContact CB-CD1 4.14Å; I589-I596 HydrophobicContact CB-CG1 4.42Å; I589-I596 HydrophobicContact CD1-CD1 4.15Å; I589-I596 HydrophobicContact CG2-CD1 4.01Å; I589-I596 HydrophobicContact CG2-CG1 3.74Å; I589-I613 HydrophobicContact CD1-CD1 3.66Å; I589-I613 HydrophobicContact CD1-CG2 4.09Å; I589-L615 HydrophobicContact CD1-CD2 4.49Å; I589-L615 HydrophobicContact CG2-CD2 4.37Å; I589-I630 HydrophobicContact CD1-CD1 4.12Å; I589-I630 HydrophobicContact CG1-CD1 3.86Å; I589-I630 HydrophobicContact CG1-CG1 4.22Å
590	N	87.9	Confident	89.3	Confident	103 Å²	103	51.2 Å²	51.2	55%	0.551	31%	0.307	S	S	*	.	H	α-helix	trans	-60	-33.6	179.1	-75.1	-12.1	0	0	0	112.5	T586 A587 T592 T593	T586-N590 PolarHBondContact O-N 2.97Å; A587-N590 PolarHBondContact O-N 3.25Å; N590-T592 PolarHBondContact O-N 3.21Å; N590-T592 VanDerWaalsContact O-N 3.15Å; N590-T593 PolarHBondContact O-N 2.74Å
591	T	90.1	Very high	89.5	Confident	96 Å²	96	52.3 Å²	52.3	59%	0.589	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-13.6	175.2	68	0	0	0	0	114.5	A587 A588 I589	A587-T591 WeakPolarHBondContact O-CG2 3.36Å; A587-T591 PolarHBondContact O-N 3.3Å; A587-T591 VanDerWaalsContact O-N 3.11Å; A588-T591 PolarHBondContact O-N 3.28Å; A588-T591 PolarHBondContact O-OG1 3.21Å; I589-T591 PolarHBondContact O-N 3.3Å
592	T	87.7	Confident	89.3	Confident	22 Å²	22	53.7 Å²	53.7	14%	0.135	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	10.4	-176.4	60.1	0	0	0	0	114.1	I589 N590 S594 H622 I626 K629	I589-T592 PolarHBondContact O-N 2.89Å; I589-T592 PolarHBondContact O-OG1 3.02Å; N590-T592 PolarHBondContact O-N 3.21Å; N590-T592 VanDerWaalsContact O-N 3.15Å; T592-S594 VanDerWaalsContact C-N 3.34Å; T592-H622 PolarHBondContact O-NE2 2.96Å; T592-I626 WeakPolarHBondContact OG1-CG1 3.38Å; T592-K629 HydrophobicContact CG2-CB 4.07Å; T592-K629 HydrophobicContact CG2-CG 4.11Å
593	T	88.3	Confident	89.1	Confident	85 Å²	85	56.2 Å²	56.2	52%	0.521	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.1	42.7	-176.2	65.9	0	0	0	0	112.8	N590 R618 H622	N590-T593 PolarHBondContact O-N 2.74Å; T593-R618 PolarHBondContact OG1-NH1 2.94Å; T593-H622 PolarHBondContact O-CE1 3.1Å
594	S	89.1	Confident	88.3	Confident	3 Å²	3	58.6 Å²	58.6	2%	0.021	32%	0.322	C	S	.	.			trans	-124.8	134.1	179.1	178.7	0	0	0	0	110.2	T592 T616	T592-S594 VanDerWaalsContact C-N 3.34Å; S594-T616 WeakPolarHBondContact CB-O 3.45Å; S594-T616 PolarHBondContact OG-O 2.77Å
595	N	89.6	Confident	87.2	Confident	102 Å²	102	61 Å²	61	55%	0.545	34%	0.335	S	S	.	.			trans	-91.5	127.9	178.8	-69.4	-48.7	0	0	0	110.7	Q597 L615 T616	N595-Q597 PolarHBondContact O-N 3.5Å; N595-L615 CarbonylContact O-C 3.54Å; N595-L615 WeakPolarHBondContact O-CA 3.22Å; N595-T616 HydrophobicContact CB-CG2 4.08Å; N595-T616 PolarHBondContact N-OG1 3.04Å; N595-T616 PolarHBondContact O-N 3.14Å
596	I	91	Very high	86	Confident	55 Å²	55	63.3 Å²	63.3	28%	0.282	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	113.6	174.3	-58.3	174.3	0	0	0	109	T586 I589 L599 I613	T586-I596 HydrophobicContact CG2-CD1 3.93Å; I589-I596 HydrophobicContact CB-CD1 4.14Å; I589-I596 HydrophobicContact CB-CG1 4.42Å; I589-I596 HydrophobicContact CD1-CD1 4.15Å; I589-I596 HydrophobicContact CG2-CD1 4.01Å; I589-I596 HydrophobicContact CG2-CG1 3.74Å; I596-L599 HydrophobicContact CG2-CB 4.33Å; I596-I613 HydrophobicContact CG1-CG2 4.43Å; I596-I613 HydrophobicContact CG2-CG2 3.98Å
597	Q	88	Confident	85.4	Confident	96 Å²	96	70.7 Å²	70.7	45%	0.449	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	-33.6	176.6	-67.4	-165.7	-15.1	0	0	113.1	N595 R614 T616	N595-Q597 PolarHBondContact O-N 3.5Å; Q597-R614 HydrophobicContact CB-CB 4.38Å; Q597-R614 PolarHBondContact N-O 3.45Å; Q597-T616 HydrophobicContact CG-CG2 4.44Å
598	S	90.7	Very high	85.1	Confident	23 Å²	23	69.6 Å²	69.6	16%	0.161	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	148.9	170.7	66.9	0	0	0	0	111.4	I613 R614	S598-I613 WeakPolarHBondContact O-CA 2.85Å; S598-R614 PolarHBondContact N-O 3.33Å; S598-R614 PolarHBondContact O-N 2.9Å; S598-R614 PolarHBondContact OG-NE 2.65Å; S598-R614 PolarHBondContact OG-NH2 3.22Å; S598-R614 VanDerWaalsContact OG-NH2 3.1Å
599	L	90.7	Very high	84.9	Confident	56 Å²	56	71.7 Å²	71.7	29%	0.293	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	120.6	174.9	179.6	151.5	0	0	0	108.2	L582 T586 I596 T601 F612 I613	L582-L599 HydrophobicContact CD2-CD2 4.46Å; T586-L599 HydrophobicContact CG2-CD1 3.9Å; I596-L599 HydrophobicContact CG2-CB 4.33Å; L599-T601 HydrophobicContact CD2-CG2 3.63Å; L599-F612 WeakPolarHBondContact CA-O 3.33Å; L599-I613 HydrophobicContact CD1-CD1 4.37Å; L599-I613 HydrophobicContact CD1-CG1 4.21Å; L599-I613 HydrophobicContact CG-CG1 4.25Å
600	N	89.6	Confident	84.9	Confident	81 Å²	81	71.7 Å²	71.7	43%	0.433	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	129	175.3	-69.2	-25.1	0	0	0	108.9	A611 F612	N600-A611 CarbonylContact O-C 3.6Å; N600-A611 WeakPolarHBondContact O-CA 3.45Å; N600-F612 HydrophobicContact CB-CB 4.46Å; N600-F612 PolarHBondContact N-O 2.88Å; N600-F612 PolarHBondContact O-N 2.99Å
601	T	88	Confident	85	Confident	59 Å²	59	66.8 Å²	66.8	36%	0.362	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	140.3	-177.1	49.7	0	0	0	0	111.4	L582 L599 S610 A611	L582-T601 HydrophobicContact CD1-CG2 4.04Å; L582-T601 HydrophobicContact CD2-CG2 3.64Å; L582-T601 HydrophobicContact CG-CG2 4.49Å; L599-T601 HydrophobicContact CD2-CG2 3.63Å; T601-S610 CarbonylContact C-O 3.42Å; T601-S610 WeakPolarHBondContact CA-O 3.1Å; T601-A611 HydrophobicContact CG2-CB 4.04Å
602	E	84.1	Confident	85.2	Confident	33 Å²	33	63.9 Å²	63.9	15%	0.154	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	127.5	-174.8	-56	-159.4	-117.3	0	0	111.5	R195 Y609 S610 F612	R195-E602 WeakPolarHBondContact CB-OE2 3.33Å; R195-E602 WeakPolarHBondContact CD-OE1 3.43Å; R195-E602 WeakPolarHBondContact CD-OE2 3.29Å; R195-E602 WeakPolarHBondContact CG-OE1 3.37Å; R195-E602 WeakPolarHBondContact CG-OE2 3.49Å; R195-E602 IonicContact CZ-OE1 3.62Å; R195-E602 IonicContact CZ-OE2 2.92Å; R195-E602 IonicContact NE-OE1 3.74Å; R195-E602 PolarHBondContact NE-OE1 3.42Å; R195-E602 IonicContact NE-OE2 2.86Å; R195-E602 PolarHBondContact NE-OE2 2.64Å; R195-E602 VanDerWaalsContact NH1-CB 3.27Å; R195-E602 IonicContact NH1-OE1 3.45Å; R195-E602 IonicContact NH1-OE2 3.67Å; R195-E602 PolarHBondContact NH1-OE2 3.04Å; R195-E602 VanDerWaalsContact NH2-CD 3.34Å; R195-E602 IonicContact NH2-OE1 3.94Å; R195-E602 PolarHBondContact NH2-OE1 3.13Å; R195-E602 VanDerWaalsContact NH2-OE1 3.14Å; R195-E602 IonicContact NH2-OE2 3.57Å; E602-Y609 CarbonylContact O-C 3.56Å; E602-Y609 WeakPolarHBondContact O-CA 3.48Å; E602-S610 PolarHBondContact N-O 3.36Å; E602-S610 PolarHBondContact O-N 3.02Å; E602-F612 HydrophobicContact CG-CE2 4.43Å
603	E	83.5	Confident	85.5	Confident	114 Å²	114	62.9 Å²	62.9	53%	0.533	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	132.5	179.5	-163.9	173	-179.7	0	0	110.2	G606 Y609	E603-G606 WeakPolarHBondContact OE1-CA 3.32Å; E603-Y609 HydrophobicContact CB-CD1 4.25Å; E603-Y609 HydrophobicContact CB-CE1 4.08Å; E603-Y609 HydrophobicContact CG-CE1 4.37Å
604	K	71.8	Confident	85.7	Confident	108 Å²	108	63 Å²	63	47%	0.47	31%	0.313	S	S	.	.	S	Bend	trans	-105.5	-37.6	-176.3	-143.4	-178.4	178	-170.2	0	112.9	E574 V608	E574-K604 IonicContact OE1-NZ 4Å; E574-K604 PolarHBondContact OE1-NZ 3.09Å; K604-V608 PolarHBondContact N-O 3.1Å
605	D	66.6	Low	85.9	Confident	137 Å²	137	62.9 Å²	62.9	73%	0.733	31%	0.312	S	S	*	.	S	Bend	trans	-161.9	52.2	-177	-73.6	-53.2	0	0	0	113.2	R607	D605-R607 PolarHBondContact O-N 2.99Å
606	G	65.5	Low	86.1	Confident	48 Å²	48	58.4 Å²	58.4	50%	0.495	29%	0.288	S	S	.	.	S	Bend	trans	73.4	-28.9	173.5	0	0	0	0	0	117	E603	E603-G606 WeakPolarHBondContact OE1-CA 3.32Å
607	R	79.2	Confident	86.2	Confident	199 Å²	199	55.8 Å²	55.8	75%	0.751	28%	0.275	S	S	*	.	S	Bend	trans	-128.5	-4.7	-177.1	-64.8	-173.4	-178.2	-177.6	1.2	114.4	F576 N577 D605	F576-R607 WeakPolarHBondContact CA-O 3.29Å; N577-R607 PolarHBondContact N-O 3.22Å; D605-R607 PolarHBondContact O-N 2.99Å
608	V	84.5	Confident	86.3	Confident	29 Å²	29	56.3 Å²	56.3	18%	0.176	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	126.8	-177.5	-179.5	0	0	0	0	110.4	M575 F576 K604 I637	M575-V608 CarbonylContact O-C 3.6Å; M575-V608 WeakPolarHBondContact O-CA 3.27Å; F576-V608 HydrophobicContact CD1-CG2 4.3Å; F576-V608 HydrophobicContact CE1-CG2 4.36Å; K604-V608 PolarHBondContact N-O 3.1Å; V608-I637 HydrophobicContact CB-CD1 4.45Å; V608-I637 HydrophobicContact CG1-CD1 3.83Å; V608-I637 HydrophobicContact CG2-CD1 3.76Å
609	Y	85.6	Confident	86.2	Confident	57 Å²	57	57.9 Å²	57.9	22%	0.224	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	142.4	168.3	-75.8	-61.7	0	0	0	111.5	E574 M575 N577 E602 E603	E574-Y609 CarbonylContact C-O 3.57Å; E574-Y609 VanDerWaalsContact CA-O 3.27Å; E574-Y609 WeakPolarHBondContact CA-O 3.32Å; M575-Y609 PolarHBondContact N-O 3.5Å; M575-Y609 PolarHBondContact O-N 3.45Å; N577-Y609 HydrophobicContact CB-CD2 3.46Å; N577-Y609 VanDerWaalsContact CB-CD2 3.46Å; N577-Y609 HydrophobicContact CB-CE2 3.38Å; N577-Y609 HydrophobicContact CB-CG 4.42Å; N577-Y609 VanDerWaalsContact ND2-CE2 3.3Å; N577-Y609 WeakPolarHBondContact ND2-CE2 3.48Å; N577-Y609 PolarHBondContact ND2-OH 3.2Å; N577-Y609 VanDerWaalsContact ND2-OH 3.15Å; N577-Y609 WeakPolarHBondContact OD1-CE2 3.43Å; E602-Y609 CarbonylContact O-C 3.56Å; E602-Y609 WeakPolarHBondContact O-CA 3.48Å; E603-Y609 HydrophobicContact CB-CD1 4.25Å; E603-Y609 HydrophobicContact CB-CE1 4.08Å; E603-Y609 HydrophobicContact CG-CE1 4.37Å
610	S	90.9	Very high	86.2	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	109.7	160.6	-65.8	0	0	0	0	109	V573 T601 E602	V573-S610 CarbonylContact O-C 3.13Å; V573-S610 VanDerWaalsContact O-CA 3.32Å; V573-S610 WeakPolarHBondContact O-CA 3.25Å; T601-S610 CarbonylContact C-O 3.42Å; T601-S610 WeakPolarHBondContact CA-O 3.1Å; E602-S610 PolarHBondContact N-O 3.36Å; E602-S610 PolarHBondContact O-N 3.02Å
611	A	90.9	Very high	86.3	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	125.8	170.9	0	0	0	0	0	110.6	K572 V573 L585 N600 T601 I613	K572-A611 CarbonylContact C-O 3.51Å; K572-A611 WeakPolarHBondContact CA-O 3.44Å; V573-A611 HydrophobicContact CB-CB 4.35Å; V573-A611 PolarHBondContact N-O 3.45Å; V573-A611 PolarHBondContact O-N 3.18Å; L585-A611 HydrophobicContact CD2-CB 4.24Å; N600-A611 CarbonylContact O-C 3.6Å; N600-A611 WeakPolarHBondContact O-CA 3.45Å; T601-A611 HydrophobicContact CG2-CB 4.04Å; A611-I613 HydrophobicContact CB-CD1 4.38Å; A611-I613 HydrophobicContact CB-CG1 4.23Å
612	F	93.3	Very high	86.5	Confident	35 Å²	35	58.9 Å²	58.9	15%	0.154	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	114.2	171.1	-61	-98.9	0	0	0	107.6	I571 K572 L599 N600 E602	I571-F612 WeakPolarHBondContact O-CA 3.36Å; K572-F612 HydrophobicContact CB-CD1 4.29Å; K572-F612 HydrophobicContact CB-CE1 4.22Å; K572-F612 HydrophobicContact CD-CE1 3.96Å; K572-F612 HydrophobicContact CD-CZ 4.01Å; K572-F612 HydrophobicContact CG-CD1 4.21Å; K572-F612 HydrophobicContact CG-CE1 3.8Å; K572-F612 HydrophobicContact CG-CZ 3.97Å; L599-F612 WeakPolarHBondContact CA-O 3.33Å; N600-F612 HydrophobicContact CB-CB 4.46Å; N600-F612 PolarHBondContact N-O 2.88Å; N600-F612 PolarHBondContact O-N 2.99Å; E602-F612 HydrophobicContact CG-CE2 4.43Å
613	I	93.4	Very high	87	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	114.6	-171.7	-48	170.9	0	0	0	107.5	E570 I571 V573 L585 I589 I596 S598 L599 A611 L615	E570-I613 WeakPolarHBondContact CA-O 3.27Å; I571-I613 HydrophobicContact CD1-CB 4.49Å; I571-I613 HydrophobicContact CD1-CD1 4.35Å; I571-I613 HydrophobicContact CG1-CB 3.91Å; I571-I613 HydrophobicContact CG1-CD1 4.49Å; I571-I613 PolarHBondContact N-O 2.68Å; I571-I613 PolarHBondContact O-N 3.43Å; V573-I613 HydrophobicContact CG2-CD1 3.94Å; L585-I613 HydrophobicContact CD1-CD1 4.33Å; L585-I613 HydrophobicContact CD2-CD1 3.67Å; L585-I613 HydrophobicContact CG-CD1 4.06Å; I589-I613 HydrophobicContact CD1-CD1 3.66Å; I589-I613 HydrophobicContact CD1-CG2 4.09Å; I596-I613 HydrophobicContact CG1-CG2 4.43Å; I596-I613 HydrophobicContact CG2-CG2 3.98Å; S598-I613 WeakPolarHBondContact O-CA 2.85Å; L599-I613 HydrophobicContact CD1-CD1 4.37Å; L599-I613 HydrophobicContact CD1-CG1 4.21Å; L599-I613 HydrophobicContact CG-CG1 4.25Å; A611-I613 HydrophobicContact CB-CD1 4.38Å; A611-I613 HydrophobicContact CB-CG1 4.23Å; I613-L615 HydrophobicContact CG2-CB 4.44Å; I613-L615 HydrophobicContact CG2-CD2 4.28Å
614	R	93.9	Very high	87.4	Confident	88 Å²	88	53.8 Å²	53.8	33%	0.332	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	120.7	167.5	-67.2	-172.1	-61.3	172.1	3	107.7	I568 T569 E570 Q597 S598	I568-R614 HydrophobicContact CG2-CB 4.49Å; T569-R614 WeakPolarHBondContact O-CA 3.08Å; E570-R614 HydrophobicContact CB-CG 4.06Å; E570-R614 HydrophobicContact CG-CG 3.95Å; E570-R614 VanDerWaalsContact OE2-CG 3.29Å; E570-R614 WeakPolarHBondContact OE2-CG 3.43Å; Q597-R614 HydrophobicContact CB-CB 4.38Å; Q597-R614 PolarHBondContact N-O 3.45Å; S598-R614 PolarHBondContact N-O 3.33Å; S598-R614 PolarHBondContact O-N 2.9Å; S598-R614 PolarHBondContact OG-NE 2.65Å; S598-R614 PolarHBondContact OG-NH2 3.22Å; S598-R614 VanDerWaalsContact OG-NH2 3.1Å
615	L	93.9	Very high	88.5	Confident	0 Å²	0	52 Å²	52	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	161.9	-174.8	60.3	77.3	0	0	0	110.7	T569 I571 I589 N595 I613 A617 L623 I626	T569-L615 HydrophobicContact CG2-CD1 3.6Å; T569-L615 HydrophobicContact CG2-CG 4.45Å; T569-L615 PolarHBondContact N-O 3.04Å; T569-L615 PolarHBondContact O-N 3.14Å; T569-L615 VanDerWaalsContact O-O 3.1Å; I571-L615 HydrophobicContact CD1-CD2 3.64Å; I571-L615 HydrophobicContact CG1-CD2 3.91Å; I589-L615 HydrophobicContact CD1-CD2 4.49Å; I589-L615 HydrophobicContact CG2-CD2 4.37Å; N595-L615 CarbonylContact O-C 3.54Å; N595-L615 WeakPolarHBondContact O-CA 3.22Å; I613-L615 HydrophobicContact CG2-CB 4.44Å; I613-L615 HydrophobicContact CG2-CD2 4.28Å; L615-A617 HydrophobicContact CD1-CB 4.38Å; L615-L623 HydrophobicContact CD1-CD1 4.16Å; L615-I626 HydrophobicContact CD1-CD1 3.76Å; L615-I626 HydrophobicContact CD2-CG2 3.97Å
616	T	93.1	Very high	89.7	Confident	8 Å²	8	45.6 Å²	45.6	5%	0.049	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	137.1	175.4	64.4	0	0	0	0	111.1	E566 F567 S594 N595 Q597	E566-T616 HydrophobicContact CB-CG2 4.48Å; E566-T616 WeakPolarHBondContact OE2-CB 3.39Å; E566-T616 PolarHBondContact OE2-OG1 2.85Å; F567-T616 CarbonylContact O-C 3.48Å; F567-T616 VanDerWaalsContact O-CA 3.32Å; F567-T616 WeakPolarHBondContact O-CA 3.13Å; S594-T616 WeakPolarHBondContact CB-O 3.45Å; S594-T616 PolarHBondContact OG-O 2.77Å; N595-T616 HydrophobicContact CB-CG2 4.08Å; N595-T616 PolarHBondContact N-OG1 3.04Å; N595-T616 PolarHBondContact O-N 3.14Å; Q597-T616 HydrophobicContact CG-CG2 4.44Å
617	A	92	Very high	91.1	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	145.2	175.1	0	0	0	0	0	109.7	I519 F567 T569 L615 L623 I626	I519-A617 HydrophobicContact CD1-CB 4.5Å; F567-A617 PolarHBondContact N-O 3.02Å; F567-A617 PolarHBondContact O-N 3.04Å; T569-A617 HydrophobicContact CG2-CB 3.77Å; L615-A617 HydrophobicContact CD1-CB 4.38Å; A617-L623 HydrophobicContact CB-CB 4.14Å; A617-I626 HydrophobicContact CB-CD1 4.49Å
618	R	90	Very high	91.8	Very high	107 Å²	107	43 Å²	43	40%	0.404	20%	0.198	S	C	.	.	S	Bend	trans	-80	-42.7	179.9	-69.2	-174.9	-64.8	-89.8	4	111.1	P520 T593 H622	P520-R618 WeakPolarHBondContact CD-O 3.17Å; P520-R618 VanDerWaalsContact CG-O 3.24Å; P520-R618 WeakPolarHBondContact CG-O 3.03Å; T593-R618 PolarHBondContact OG1-NH1 2.94Å; R618-H622 HydrophobicContact CB-CB 4.23Å; R618-H622 PolarHBondContact N-ND1 3.43Å; R618-H622 PolarHBondContact NH1-CE1 2.89Å
619	D	89.7	Confident	92.2	Very high	57 Å²	57	47 Å²	47	31%	0.305	21%	0.213	S	C	.	.	S	Bend	trans	-158.9	-178.3	-178.3	58.1	43.2	0	0	0	110.2	P520 V621 H622 L623	P520-D619 HydrophobicContact CB-CB 3.9Å; P520-D619 WeakPolarHBondContact O-CA 3.5Å; D619-V621 VanDerWaalsContact C-N 3.27Å; D619-V621 PolarHBondContact O-N 2.98Å; D619-V621 VanDerWaalsContact OD1-CA 3.27Å; D619-V621 WeakPolarHBondContact OD1-CA 3.34Å; D619-V621 VanDerWaalsContact OD1-CB 3.27Å; D619-V621 WeakPolarHBondContact OD1-CB 3.27Å; D619-V621 PolarHBondContact OD1-N 2.84Å; D619-H622 PolarHBondContact O-N 3.4Å; D619-H622 PolarHBondContact OD1-N 3.01Å; D619-L623 PolarHBondContact O-N 2.98Å
620	R	90.6	Very high	92.5	Very high	111 Å²	111	44.3 Å²	44.3	42%	0.419	20%	0.203	S	C	.	.	H	α-helix	trans	-61.6	-28.8	174.7	-78.3	-179.3	72.2	176.8	-0.2	114.4	I519 P520 G521 D522 A624	I519-R620 HydrophobicContact CD1-CG 4.15Å; I519-R620 HydrophobicContact CG1-CG 3.99Å; P520-R620 PolarHBondContact O-N 3.16Å; G521-R620 WeakPolarHBondContact O-CD 3.42Å; G521-R620 PolarHBondContact O-NH1 3.44Å; D522-R620 VanDerWaalsContact OD1-CD 3.28Å; D522-R620 WeakPolarHBondContact OD1-CD 3.42Å; D522-R620 IonicContact OD1-NE 3.42Å; R620-A624 VanDerWaalsContact O-CB 3.24Å; R620-A624 WeakPolarHBondContact O-CB 3.41Å; R620-A624 PolarHBondContact O-N 3.27Å
621	V	91.5	Very high	92.6	Very high	96 Å²	96	52.2 Å²	52.2	58%	0.582	23%	0.232	S	C	*	.	H	α-helix	trans	-73	-46.3	179.2	-179	0	0	0	0	109.7	D619 A624 N625	D619-V621 VanDerWaalsContact C-N 3.27Å; D619-V621 PolarHBondContact O-N 2.98Å; D619-V621 VanDerWaalsContact OD1-CA 3.27Å; D619-V621 WeakPolarHBondContact OD1-CA 3.34Å; D619-V621 VanDerWaalsContact OD1-CB 3.27Å; D619-V621 WeakPolarHBondContact OD1-CB 3.27Å; D619-V621 PolarHBondContact OD1-N 2.84Å; V621-A624 PolarHBondContact O-N 2.85Å; V621-N625 VanDerWaalsContact O-CG 3.25Å; V621-N625 PolarHBondContact O-N 3.39Å; V621-N625 PolarHBondContact O-ND2 3.27Å
622	H	92.7	Very high	92.7	Very high	10 Å²	10	58.1 Å²	58.1	5%	0.046	27%	0.268	C	S	.	.	H	α-helix	trans	-57.7	-50.5	172.8	-175	-167.7	0	0	0	109.9	T592 T593 R618 D619 A624 N625 I626	T592-H622 PolarHBondContact O-NE2 2.96Å; T593-H622 PolarHBondContact O-CE1 3.1Å; R618-H622 HydrophobicContact CB-CB 4.23Å; R618-H622 PolarHBondContact N-ND1 3.43Å; R618-H622 PolarHBondContact NH1-CE1 2.89Å; D619-H622 PolarHBondContact O-N 3.4Å; D619-H622 PolarHBondContact OD1-N 3.01Å; H622-A624 VanDerWaalsContact C-N 3.32Å; H622-A624 PolarHBondContact O-N 3.17Å; H622-N625 WeakPolarHBondContact O-CB 3.45Å; H622-N625 PolarHBondContact O-N 2.87Å; H622-N625 VanDerWaalsContact O-N 3.09Å; H622-I626 VanDerWaalsContact O-CG1 3.31Å; H622-I626 WeakPolarHBondContact O-CG1 3.3Å; H622-I626 PolarHBondContact O-N 3.02Å
623	L	93.6	Very high	92.5	Very high	6 Å²	6	57.5 Å²	57.5	3%	0.031	27%	0.266	C	S	.	.	H	α-helix	trans	-59.8	-40.9	176.5	-178.7	60	0	0	0	112.7	I519 T569 I571 L615 A617 D619 N625 I626 M627 R641	I519-L623 HydrophobicContact CD1-CB 3.82Å; I519-L623 HydrophobicContact CD1-CD2 3.54Å; I519-L623 HydrophobicContact CD1-CG 4.32Å; T569-L623 HydrophobicContact CG2-CD1 3.73Å; T569-L623 HydrophobicContact CG2-CD2 4.04Å; T569-L623 HydrophobicContact CG2-CG 4.42Å; I571-L623 HydrophobicContact CG2-CD1 3.79Å; L615-L623 HydrophobicContact CD1-CD1 4.16Å; A617-L623 HydrophobicContact CB-CB 4.14Å; D619-L623 PolarHBondContact O-N 2.98Å; L623-N625 VanDerWaalsContact C-N 3.31Å; L623-N625 PolarHBondContact O-N 2.68Å; L623-I626 PolarHBondContact O-N 2.96Å; L623-M627 HydrophobicContact CD1-CG 4.31Å; L623-M627 HydrophobicContact CD1-SD 4.48Å; L623-M627 HydrophobicContact CG-CG 4.46Å; L623-M627 HydrophobicContact CG-SD 4.17Å; L623-M627 WeakPolarHBondContact O-CG 3.39Å; L623-M627 PolarHBondContact O-N 3.39Å; L623-R641 HydrophobicContact CD2-CB 4.49Å; L623-R641 VanDerWaalsContact CD2-CD 3.4Å; L623-R641 HydrophobicContact CD2-CG 3.91Å
624	A	93.2	Very high	92.2	Very high	34 Å²	34	63 Å²	63	28%	0.281	30%	0.302	S	S	.	.	H	α-helix	trans	-63	-38.2	176.1	0	0	0	0	0	111.9	R620 V621 H622 M627 R628	R620-A624 VanDerWaalsContact O-CB 3.24Å; R620-A624 WeakPolarHBondContact O-CB 3.41Å; R620-A624 PolarHBondContact O-N 3.27Å; V621-A624 PolarHBondContact O-N 2.85Å; H622-A624 VanDerWaalsContact C-N 3.32Å; H622-A624 PolarHBondContact O-N 3.17Å; A624-M627 PolarHBondContact O-N 2.95Å; A624-R628 WeakPolarHBondContact O-CB 3.25Å; A624-R628 VanDerWaalsContact O-CG 3.27Å; A624-R628 WeakPolarHBondContact O-CG 3.31Å; A624-R628 PolarHBondContact O-N 3.46Å
625	N	93.2	Very high	91.9	Very high	71 Å²	71	59.9 Å²	59.9	38%	0.38	29%	0.292	S	S	.	.	H	α-helix	trans	-65.3	-42.8	175.2	-69.2	-22.1	0	0	0	111.8	V621 H622 L623 R628 K629	V621-N625 VanDerWaalsContact O-CG 3.25Å; V621-N625 PolarHBondContact O-N 3.39Å; V621-N625 PolarHBondContact O-ND2 3.27Å; H622-N625 WeakPolarHBondContact O-CB 3.45Å; H622-N625 PolarHBondContact O-N 2.87Å; H622-N625 VanDerWaalsContact O-N 3.09Å; L623-N625 VanDerWaalsContact C-N 3.31Å; L623-N625 PolarHBondContact O-N 2.68Å; N625-R628 PolarHBondContact O-N 2.82Å; N625-R628 PolarHBondContact OD1-NH1 2.99Å; N625-K629 PolarHBondContact O-N 3.43Å
626	I	93.5	Very high	91.8	Very high	1 Å²	1	60.7 Å²	60.7	1%	0.005	30%	0.297	C	S	.	.	H	α-helix	trans	-56.6	-52.5	172.2	-59.9	169.9	0	0	0	109.8	T592 L615 A617 H622 L623 R628 K629 I630	T592-I626 WeakPolarHBondContact OG1-CG1 3.38Å; L615-I626 HydrophobicContact CD1-CD1 3.76Å; L615-I626 HydrophobicContact CD2-CG2 3.97Å; A617-I626 HydrophobicContact CB-CD1 4.49Å; H622-I626 VanDerWaalsContact O-CG1 3.31Å; H622-I626 WeakPolarHBondContact O-CG1 3.3Å; H622-I626 PolarHBondContact O-N 3.02Å; L623-I626 PolarHBondContact O-N 2.96Å; I626-R628 VanDerWaalsContact C-N 3.35Å; I626-R628 PolarHBondContact O-N 3.45Å; I626-K629 PolarHBondContact O-N 3.46Å; I626-I630 HydrophobicContact CG2-CD1 3.9Å; I626-I630 WeakPolarHBondContact O-CG1 3.18Å; I626-I630 PolarHBondContact O-N 2.94Å
627	M	94.8	Very high	91.7	Very high	35 Å²	35	64.2 Å²	64.2	17%	0.172	31%	0.314	C	S	.	.	H	α-helix	trans	-63.4	-36.5	-179.4	-69.8	178	70.1	0	0	113	I571 L623 A624 R631 V639 R641	I571-M627 HydrophobicContact CG2-CG 4.21Å; I571-M627 HydrophobicContact CG2-SD 4.42Å; L623-M627 HydrophobicContact CD1-CG 4.31Å; L623-M627 HydrophobicContact CD1-SD 4.48Å; L623-M627 HydrophobicContact CG-CG 4.46Å; L623-M627 HydrophobicContact CG-SD 4.17Å; L623-M627 WeakPolarHBondContact O-CG 3.39Å; L623-M627 PolarHBondContact O-N 3.39Å; A624-M627 PolarHBondContact O-N 2.95Å; M627-R631 VanDerWaalsContact O-CB 3.25Å; M627-R631 WeakPolarHBondContact O-CB 3.41Å; M627-R631 PolarHBondContact O-N 3.16Å; M627-V639 HydrophobicContact CB-CG1 4.16Å; M627-V639 HydrophobicContact CE-CB 4.35Å; M627-V639 HydrophobicContact CE-CG1 3.88Å; M627-V639 WeakPolarHBondContact CE-O 3.49Å; M627-V639 HydrophobicContact CG-CG1 3.88Å; M627-R641 HydrophobicContact SD-CB 4.38Å
628	R	93.5	Very high	91.8	Very high	158 Å²	158	69.6 Å²	69.6	60%	0.596	34%	0.338	S	S	*	.	H	α-helix	trans	-64.3	-44.9	174.6	-78.2	175.1	-165.6	151.2	-4	111.2	A624 N625 I626 I630 R631 V632	A624-R628 WeakPolarHBondContact O-CB 3.25Å; A624-R628 VanDerWaalsContact O-CG 3.27Å; A624-R628 WeakPolarHBondContact O-CG 3.31Å; A624-R628 PolarHBondContact O-N 3.46Å; N625-R628 PolarHBondContact O-N 2.82Å; N625-R628 PolarHBondContact OD1-NH1 2.99Å; I626-R628 VanDerWaalsContact C-N 3.35Å; I626-R628 PolarHBondContact O-N 3.45Å; R628-I630 VanDerWaalsContact C-N 3.31Å; R628-I630 PolarHBondContact O-N 3.22Å; R628-R631 PolarHBondContact O-N 2.89Å; R628-V632 WeakPolarHBondContact O-CG2 3.38Å; R628-V632 PolarHBondContact O-N 2.84Å
629	K	92.3	Very high	91.9	Very high	113 Å²	113	64.6 Å²	64.6	49%	0.491	32%	0.319	S	S	.	.	H	α-helix	trans	-60.1	-43	178.2	-169.5	69.1	173	-177	0	111.2	A588 T592 N625 I626	A588-K629 HydrophobicContact CB-CG 4.39Å; T592-K629 HydrophobicContact CG2-CB 4.07Å; T592-K629 HydrophobicContact CG2-CG 4.11Å; N625-K629 PolarHBondContact O-N 3.43Å; I626-K629 PolarHBondContact O-N 3.46Å
630	I	93.1	Very high	92.1	Very high	1 Å²	1	64.3 Å²	64.3	1%	0.005	32%	0.32	C	S	.	.	H	α-helix	trans	-67	-41.5	176.1	-61.4	168.1	0	0	0	111.1	I571 V573 L585 I589 I626 R628 V632 M633 V636 V639	I571-I630 HydrophobicContact CD1-CD1 3.37Å; V573-I630 HydrophobicContact CG1-CG2 3.96Å; V573-I630 HydrophobicContact CG2-CD1 4.48Å; V573-I630 HydrophobicContact CG2-CG2 4.08Å; L585-I630 HydrophobicContact CD1-CB 4.44Å; L585-I630 HydrophobicContact CD1-CD1 4.22Å; L585-I630 HydrophobicContact CD1-CG1 4.02Å; L585-I630 HydrophobicContact CD1-CG2 3.6Å; I589-I630 HydrophobicContact CD1-CD1 4.12Å; I589-I630 HydrophobicContact CG1-CD1 3.86Å; I589-I630 HydrophobicContact CG1-CG1 4.22Å; I626-I630 HydrophobicContact CG2-CD1 3.9Å; I626-I630 WeakPolarHBondContact O-CG1 3.18Å; I626-I630 PolarHBondContact O-N 2.94Å; R628-I630 VanDerWaalsContact C-N 3.31Å; R628-I630 PolarHBondContact O-N 3.22Å; I630-V632 PolarHBondContact O-N 3.37Å; I630-M633 HydrophobicContact CG2-SD 4.45Å; I630-M633 VanDerWaalsContact O-CB 3.3Å; I630-M633 WeakPolarHBondContact O-CB 3.11Å; I630-M633 WeakPolarHBondContact O-CG 3.41Å; I630-M633 PolarHBondContact O-N 3.16Å; I630-M633 VanDerWaalsContact O-N 3.1Å; I630-V636 HydrophobicContact CG2-CG1 4.18Å; I630-V636 HydrophobicContact CG2-CG2 3.84Å; I630-V636 WeakPolarHBondContact O-CB 3.32Å; I630-V636 WeakPolarHBondContact O-CG2 3.44Å; I630-V639 HydrophobicContact CB-CG2 4.11Å; I630-V639 HydrophobicContact CG2-CG2 3.53Å
631	R	92.8	Very high	92.2	Very high	165 Å²	165	60.6 Å²	60.6	62%	0.623	31%	0.305	S	S	*	.	H	α-helix	trans	-64.1	-25.7	-177.1	-173.9	-178.8	-78.7	-168.2	-4.8	113.8	M627 R628 M633	M627-R631 VanDerWaalsContact O-CB 3.25Å; M627-R631 WeakPolarHBondContact O-CB 3.41Å; M627-R631 PolarHBondContact O-N 3.16Å; R628-R631 PolarHBondContact O-N 2.89Å; R631-M633 VanDerWaalsContact C-N 3.3Å
632	V	91.9	Very high	91.9	Very high	125 Å²	125	58.3 Å²	58.3	76%	0.758	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-12.6	178.6	178.3	0	0	0	0	112	R628 I630	R628-V632 WeakPolarHBondContact O-CG2 3.38Å; R628-V632 PolarHBondContact O-N 2.84Å; I630-V632 PolarHBondContact O-N 3.37Å
633	M	90.6	Very high	91.2	Very high	21 Å²	21	61.9 Å²	61.9	10%	0.103	30%	0.303	C	S	.	.	S	Bend	trans	-64.2	133	175.5	-64.4	175	54.6	0	0	110.1	N584 L585 A588 I630 R631 D635 V636	N584-M633 HydrophobicContact CB-CE 3.69Å; L585-M633 HydrophobicContact CB-CE 4.09Å; L585-M633 HydrophobicContact CD1-SD 4.14Å; A588-M633 HydrophobicContact CB-SD 3.82Å; I630-M633 HydrophobicContact CG2-SD 4.45Å; I630-M633 VanDerWaalsContact O-CB 3.3Å; I630-M633 WeakPolarHBondContact O-CB 3.11Å; I630-M633 WeakPolarHBondContact O-CG 3.41Å; I630-M633 PolarHBondContact O-N 3.16Å; I630-M633 VanDerWaalsContact O-N 3.1Å; R631-M633 VanDerWaalsContact C-N 3.3Å; M633-D635 PolarHBondContact O-N 3.41Å; M633-V636 HydrophobicContact CB-CB 4.34Å; M633-V636 HydrophobicContact CB-CG2 3.82Å; M633-V636 HydrophobicContact CE-CG2 4.46Å; M633-V636 PolarHBondContact O-N 3.5Å; M633-V636 VanDerWaalsContact O-N 3.13Å; M633-V636 HydrophobicContact SD-CG2 4.3Å
634	P	86.6	Confident	90.1	Very high	117 Å²	117	65 Å²	65	76%	0.76	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-26.2	-177.1	21.5	-31.1	0	0	0	112.8	V636	P634-V636 VanDerWaalsContact C-N 3.35Å
635	D	88.1	Confident	89.9	Confident	21 Å²	21	66.6 Å²	66.6	11%	0.112	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-13	-172.9	-41.9	-34.7	0	0	0	112.2	M575 F576 H578 A581 M633	M575-D635 CarbonylContact C-O 3.6Å; M575-D635 WeakPolarHBondContact CA-O 2.98Å; M575-D635 WeakPolarHBondContact CB-O 3.4Å; M575-D635 HydrophobicContact CE-CB 4.41Å; F576-D635 PolarHBondContact N-O 3.38Å; H578-D635 IonicContact CD2-OD1 2.95Å; H578-D635 VanDerWaalsContact CE1-CG 3.5Å; H578-D635 IonicContact CE1-OD1 3.07Å; H578-D635 IonicContact CE1-OD2 3.84Å; H578-D635 WeakPolarHBondContact NE2-CB 3.42Å; H578-D635 IonicContact NE2-OD1 2.72Å; H578-D635 PolarHBondContact NE2-OD1 3.31Å; H578-D635 IonicContact NE2-OD2 3.78Å; H578-D635 PolarHBondContact NE2-OD2 3.34Å; A581-D635 HydrophobicContact CB-CB 4.45Å; M633-D635 PolarHBondContact O-N 3.41Å
636	V	91.2	Very high	89.7	Confident	18 Å²	18	66.4 Å²	66.4	11%	0.109	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	120.4	-171.3	171.8	0	0	0	0	111.1	V573 M575 I630 M633 P634 V639	V573-V636 HydrophobicContact CG1-CG1 4.1Å; V573-V636 HydrophobicContact CG1-CG2 3.97Å; M575-V636 HydrophobicContact CB-CG2 4.35Å; I630-V636 HydrophobicContact CG2-CG1 4.18Å; I630-V636 HydrophobicContact CG2-CG2 3.84Å; I630-V636 WeakPolarHBondContact O-CB 3.32Å; I630-V636 WeakPolarHBondContact O-CG2 3.44Å; M633-V636 HydrophobicContact CB-CB 4.34Å; M633-V636 HydrophobicContact CB-CG2 3.82Å; M633-V636 HydrophobicContact CE-CG2 4.46Å; M633-V636 PolarHBondContact O-N 3.5Å; M633-V636 VanDerWaalsContact O-N 3.13Å; M633-V636 HydrophobicContact SD-CG2 4.3Å; P634-V636 VanDerWaalsContact C-N 3.35Å; V636-V639 HydrophobicContact CG1-CG2 3.44Å; V636-V639 VanDerWaalsContact CG1-CG2 3.44Å
637	I	91.4	Very high	89.5	Confident	82 Å²	82	70 Å²	70	42%	0.421	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	-45.8	176.2	-57.1	171.2	0	0	0	110.2	E574 F576 V608	E574-I637 HydrophobicContact CB-CB 4.44Å; E574-I637 WeakPolarHBondContact O-CA 3.16Å; E574-I637 WeakPolarHBondContact O-CB 3.32Å; E574-I637 PolarHBondContact O-N 2.9Å; F576-I637 HydrophobicContact CD1-CD1 4.1Å; F576-I637 HydrophobicContact CD2-CD1 4.13Å; F576-I637 HydrophobicContact CD2-CG1 3.83Å; F576-I637 HydrophobicContact CE1-CD1 3.82Å; F576-I637 HydrophobicContact CE1-CG1 4.4Å; F576-I637 HydrophobicContact CE2-CD1 3.86Å; F576-I637 HydrophobicContact CE2-CG1 3.5Å; F576-I637 HydrophobicContact CG-CD1 4.25Å; F576-I637 HydrophobicContact CG-CG1 4.42Å; F576-I637 HydrophobicContact CZ-CD1 3.7Å; F576-I637 HydrophobicContact CZ-CG1 3.82Å; V608-I637 HydrophobicContact CB-CD1 4.45Å; V608-I637 HydrophobicContact CG1-CD1 3.83Å; V608-I637 HydrophobicContact CG2-CD1 3.76Å
638	K	92.9	Very high	89.2	Confident	112 Å²	112	72.1 Å²	72.1	49%	0.487	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	137.9	-172.5	-170.3	173.7	-178.2	172.6	0	111.8	V573 E574 T640	V573-K638 CarbonylContact C-O 3.55Å; V573-K638 WeakPolarHBondContact CA-O 3.39Å; E574-K638 HydrophobicContact CB-CB 4.16Å; E574-K638 PolarHBondContact N-O 2.69Å; E574-K638 PolarHBondContact O-N 2.82Å; K638-T640 HydrophobicContact CD-CG2 4.34Å; K638-T640 HydrophobicContact CG-CG2 4.15Å
639	V	93.8	Very high	88.9	Confident	3 Å²	3	66.7 Å²	66.7	2%	0.018	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	126.3	170.7	-169.5	0	0	0	0	109	I571 K572 V573 M627 I630 V636	I571-V639 HydrophobicContact CD1-CG1 4.49Å; K572-V639 WeakPolarHBondContact O-CA 3.34Å; V573-V639 HydrophobicContact CG1-CG2 4.38Å; V573-V639 HydrophobicContact CG2-CG1 4.19Å; V573-V639 HydrophobicContact CG2-CG2 4.48Å; M627-V639 HydrophobicContact CB-CG1 4.16Å; M627-V639 HydrophobicContact CE-CB 4.35Å; M627-V639 HydrophobicContact CE-CG1 3.88Å; M627-V639 WeakPolarHBondContact CE-O 3.49Å; M627-V639 HydrophobicContact CG-CG1 3.88Å; I630-V639 HydrophobicContact CB-CG2 4.11Å; I630-V639 HydrophobicContact CG2-CG2 3.53Å; V636-V639 HydrophobicContact CG1-CG2 3.44Å; V636-V639 VanDerWaalsContact CG1-CG2 3.44Å
640	T	93.9	Very high	88.7	Confident	51 Å²	51	63.6 Å²	63.6	31%	0.313	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	139.7	178.3	48.8	0	0	0	0	110.6	I571 K572 K638	I571-T640 CarbonylContact C-O 3.46Å; I571-T640 WeakPolarHBondContact CA-O 3.35Å; K572-T640 PolarHBondContact N-O 2.86Å; K572-T640 PolarHBondContact O-N 2.94Å; K638-T640 HydrophobicContact CD-CG2 4.34Å; K638-T640 HydrophobicContact CG-CG2 4.15Å
641	R	92.1	Very high	88.4	Confident	32 Å²	32	68.1 Å²	68.1	12%	0.121	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	133	170.6	-174	-174.1	-176	-165.4	-17.5	109.8	R517 D522 T569 L623 M627 R643	R517-R641 PolarHBondContact O-NH2 2.93Å; D522-R641 IonicContact OD1-CZ 3.93Å; D522-R641 IonicContact OD1-NH1 2.85Å; D522-R641 PolarHBondContact OD1-NH1 3.34Å; D522-R641 IonicContact OD1-NH2 3.48Å; D522-R641 IonicContact OD2-CZ 2.66Å; D522-R641 IonicContact OD2-NH1 3.24Å; D522-R641 PolarHBondContact OD2-NH1 3.17Å; D522-R641 IonicContact OD2-NH2 3.1Å; D522-R641 PolarHBondContact OD2-NH2 3.37Å; T569-R641 PolarHBondContact OG1-NE 2.86Å; T569-R641 VanDerWaalsContact OG1-NE 3.11Å; L623-R641 HydrophobicContact CD2-CB 4.49Å; L623-R641 VanDerWaalsContact CD2-CD 3.4Å; L623-R641 HydrophobicContact CD2-CG 3.91Å; M627-R641 HydrophobicContact SD-CB 4.38Å; R641-R643 HydrophobicContact CG-CG 4.3Å
642	N	85.8	Confident	88.1	Confident	49 Å²	49	60.6 Å²	60.6	26%	0.262	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	125.8	169.9	-167.5	14	0	0	0	109.9	E570 N644	E570-N642 HydrophobicContact CB-CB 4.21Å; E570-N642 HydrophobicContact CG-CB 4.23Å; E570-N642 PolarHBondContact O-N 2.68Å; E570-N642 WeakPolarHBondContact OE1-CB 3.36Å; E570-N642 PolarHBondContact OE1-ND2 3.35Å; N642-N644 PolarHBondContact ND2-O 2.96Å; N642-N644 PolarHBondContact OD1-N 2.93Å; N642-N644 PolarHBondContact OD1-O 3.11Å; N642-N644 VanDerWaalsContact OD1-O 3.12Å
643	R	77.4	Confident	87.7	Confident	85 Å²	85	55.3 Å²	55.3	32%	0.321	28%	0.284	S	S	.	.			trans	-121.4	8	-178.6	-64.7	-177.3	178.6	168.9	0.5	112.5	C516 R641	C516-R643 WeakPolarHBondContact CA-O 3.35Å; C516-R643 WeakPolarHBondContact CB-O 3.5Å; R641-R643 HydrophobicContact CG-CG 4.3Å
644	N	69.2	Low	87.5	Confident	72 Å²	72	58.4 Å²	58.4	39%	0.385	30%	0.301	S	S	.	.			trans	-144.5	0	-171.7	-73.5	-53.3	0	0	0	114.3	C515 R542 N642	C515-N644 CarbonylContact O-C 3.53Å; C515-N644 WeakPolarHBondContact O-CA 3.27Å; C515-N644 PolarHBondContact O-N 3.4Å; R542-N644 HydrophobicContact CG-CB 4.34Å; R542-N644 WeakPolarHBondContact CG-OD1 3.46Å; R542-N644 PolarHBondContact N-OD1 3.38Å; N642-N644 PolarHBondContact ND2-O 2.96Å; N642-N644 PolarHBondContact OD1-N 2.93Å; N642-N644 PolarHBondContact OD1-O 3.11Å; N642-N644 VanDerWaalsContact OD1-O 3.12Å

Retrieved 644 of 644 residues in 332.4 ms (Link to these results)

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