A0A087Y6T7_POEFO Loading...

Spire-type actin nucleation factor 1b

AlphaFold DB , UniProt , Accession A0A087Y6T7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 701 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	S	33.3	Very low	72.1	Confident	161 Å²	161	78.9 Å²	78.9	100%	1.126	44%	0.444	S	S	*	.				0	94.8	0	44.7	0	0	0	0	107.5
2	E	32.3	Very low	73.8	Confident	176 Å²	176	72.7 Å²	72.7	82%	0.822	41%	0.409	S	S	*	.			trans	-108.7	-3.8	-162.7	-67.2	164.2	122.7	0	0	112.6	A4	E2-A4 PolarHBondContact O-N 3.28Å
3	D	40.4	Very low	75.3	Confident	162 Å²	162	67.2 Å²	67.2	87%	0.866	38%	0.378	S	S	*	.	S	Bend	trans	-92.8	21.6	-172.1	-60.8	-81	0	0	0	115.6
4	A	54.1	Low	76.4	Confident	84 Å²	84	72.7 Å²	72.7	69%	0.694	39%	0.39	S	S	*	.			trans	-129.4	32.6	-172.4	0	0	0	0	0	114.2	E2 D6	E2-A4 PolarHBondContact O-N 3.28Å; A4-D6 PolarHBondContact O-N 3.37Å
5	E	75.2	Confident	77.3	Confident	106 Å²	106	70.7 Å²	70.7	50%	0.495	38%	0.379	S	S	.	.			trans	-90.3	87.1	170.3	-55.5	-164.6	172.2	0	0	112	Y193 R197	E5-Y193 PolarHBondContact O-OH 2.95Å; E5-Y193 VanDerWaalsContact O-OH 3.06Å; E5-R197 PolarHBondContact O-NH2 3.26Å; E5-R197 IonicContact OE2-CZ 3.57Å; E5-R197 IonicContact OE2-NH1 3.62Å; E5-R197 PolarHBondContact OE2-NH1 2.81Å; E5-R197 IonicContact OE2-NH2 2.71Å; E5-R197 PolarHBondContact OE2-NH2 3.22Å
6	D	88.2	Confident	77.8	Confident	32 Å²	32	67.6 Å²	67.6	17%	0.171	36%	0.361	C	S	.	.			trans	-68.2	166.9	157.9	48.6	12	0	0	0	111.1	A4 R55 I56 Q57	A4-D6 PolarHBondContact O-N 3.37Å; D6-R55 VanDerWaalsContact CG-NE 3.33Å; D6-R55 IonicContact OD1-CZ 3.87Å; D6-R55 IonicContact OD1-NE 3.06Å; D6-R55 PolarHBondContact OD1-NE 3.5Å; D6-R55 IonicContact OD1-NH2 3.02Å; D6-R55 PolarHBondContact OD1-NH2 3.44Å; D6-R55 IonicContact OD2-NE 3.28Å; D6-R55 IonicContact OD2-NH2 3.99Å; D6-I56 WeakPolarHBondContact CB-O 3.45Å; D6-Q57 HydrophobicContact CB-CG 4.26Å; D6-Q57 PolarHBondContact OD2-NE2 2.91Å
7	L	92.4	Very high	78.3	Confident	3 Å²	3	66.6 Å²	66.6	2%	0.016	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	131	-178.9	-74.8	172.2	0	0	0	110.2	I12 R55 I56 Y193 T196 R197	L7-I12 HydrophobicContact CB-CD1 4.37Å; L7-I12 HydrophobicContact CB-CG1 4.42Å; L7-R55 CarbonylContact O-C 3.59Å; L7-R55 WeakPolarHBondContact O-CA 3.33Å; L7-I56 PolarHBondContact N-O 3.06Å; L7-I56 PolarHBondContact O-N 3.47Å; L7-Y193 HydrophobicContact CB-CD2 4.2Å; L7-Y193 HydrophobicContact CB-CE2 4.36Å; L7-Y193 HydrophobicContact CD1-CD2 3.74Å; L7-Y193 HydrophobicContact CD1-CE2 3.91Å; L7-Y193 HydrophobicContact CD1-CG 4.38Å; L7-Y193 HydrophobicContact CG-CD2 4.02Å; L7-Y193 HydrophobicContact CG-CE2 3.88Å; L7-T196 HydrophobicContact CD1-CG2 3.69Å; L7-R197 HydrophobicContact CD1-CG 4.06Å
8	S	94.6	Very high	78.8	Confident	11 Å²	11	66.1 Å²	66.1	8%	0.077	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	149.1	169	61.9	0	0	0	0	111.3	E10 E11 I12 V54	S8-E10 PolarHBondContact O-N 3.3Å; S8-E11 WeakPolarHBondContact CB-OE2 3.44Å; S8-E11 PolarHBondContact N-OE2 2.89Å; S8-E11 PolarHBondContact O-N 2.91Å; S8-E11 WeakPolarHBondContact OG-CB 3.4Å; S8-E11 WeakPolarHBondContact OG-CG 3.42Å; S8-E11 PolarHBondContact OG-N 3.12Å; S8-E11 VanDerWaalsContact OG-N 3.1Å; S8-E11 PolarHBondContact OG-OE2 3.06Å; S8-I12 WeakPolarHBondContact O-CG1 3.41Å; S8-I12 PolarHBondContact O-N 2.98Å; S8-I12 VanDerWaalsContact O-N 3.16Å; S8-V54 CarbonylContact C-O 3.55Å; S8-V54 VanDerWaalsContact CA-O 3.29Å; S8-V54 WeakPolarHBondContact CA-O 3.38Å
9	L	95.2	Very high	79.4	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-62.9	-29.3	173	-178.2	60.9	0	0	0	111.1	I12 L13 I20 V28 P51 V54 M98 A102	L9-I12 HydrophobicContact CD1-CB 4.44Å; L9-I12 HydrophobicContact CD1-CD1 4.46Å; L9-I12 WeakPolarHBondContact O-CB 3.48Å; L9-I12 PolarHBondContact O-N 3.45Å; L9-L13 HydrophobicContact CD1-CG 4.49Å; L9-L13 HydrophobicContact CG-CD1 4.28Å; L9-L13 HydrophobicContact CG-CG 4.48Å; L9-L13 VanDerWaalsContact O-CG 3.3Å; L9-L13 WeakPolarHBondContact O-CG 3.49Å; L9-L13 PolarHBondContact O-N 2.84Å; L9-I20 HydrophobicContact CD1-CG2 3.97Å; L9-V28 HydrophobicContact CD2-CG1 4.4Å; L9-P51 HydrophobicContact CB-CB 3.94Å; L9-P51 WeakPolarHBondContact CB-O 3.28Å; L9-P51 HydrophobicContact CD2-CB 4.08Å; L9-P51 HydrophobicContact CG-CB 3.93Å; L9-P51 PolarHBondContact N-O 3.02Å; L9-V54 HydrophobicContact CB-CB 4.2Å; L9-V54 HydrophobicContact CB-CG1 4.44Å; L9-V54 PolarHBondContact N-O 3.02Å; L9-M98 HydrophobicContact CD2-CE 4.4Å; L9-M98 HydrophobicContact CD2-SD 3.7Å; L9-A102 HydrophobicContact CD2-CB 4.15Å
10	E	94.1	Very high	80.1	Confident	64 Å²	64	62.3 Å²	62.3	30%	0.299	34%	0.337	S	S	.	.	H	α-helix	trans	-65.9	-41.8	172.9	-169.8	179.8	-135.7	0	0	113	S8 I12 L13 R14 P51	S8-E10 PolarHBondContact O-N 3.3Å; E10-I12 VanDerWaalsContact C-N 3.3Å; E10-I12 PolarHBondContact O-N 3.4Å; E10-L13 PolarHBondContact O-N 3.24Å; E10-R14 VanDerWaalsContact CD-NH1 3.34Å; E10-R14 HydrophobicContact CG-CG 4.38Å; E10-R14 WeakPolarHBondContact O-CB 3.48Å; E10-R14 VanDerWaalsContact O-CG 3.25Å; E10-R14 WeakPolarHBondContact O-CG 3.31Å; E10-R14 PolarHBondContact O-N 2.88Å; E10-R14 IonicContact OE1-CZ 2.89Å; E10-R14 VanDerWaalsContact OE1-CZ 3.24Å; E10-R14 IonicContact OE1-NE 3.57Å; E10-R14 IonicContact OE1-NH1 2.63Å; E10-R14 IonicContact OE1-NH2 2.6Å; E10-R14 PolarHBondContact OE1-NH2 3.18Å; E10-R14 IonicContact OE2-CZ 2.7Å; E10-R14 IonicContact OE2-NE 3.46Å; E10-R14 IonicContact OE2-NH1 2.66Å; E10-R14 PolarHBondContact OE2-NH1 3.19Å; E10-R14 IonicContact OE2-NH2 3.83Å; E10-R14 PolarHBondContact OE2-NH2 3.4Å; E10-P51 HydrophobicContact CB-CB 4.26Å; E10-P51 HydrophobicContact CB-CG 4.15Å; E10-P51 PolarHBondContact N-O 2.73Å
11	E	92.8	Very high	80.6	Confident	69 Å²	69	61.9 Å²	61.9	32%	0.322	34%	0.335	S	S	.	.	H	α-helix	trans	-60.2	-41.6	172.1	-80.1	166.3	105.9	0	0	111.6	S8 L15 R200	S8-E11 WeakPolarHBondContact CB-OE2 3.44Å; S8-E11 PolarHBondContact N-OE2 2.89Å; S8-E11 PolarHBondContact O-N 2.91Å; S8-E11 WeakPolarHBondContact OG-CB 3.4Å; S8-E11 WeakPolarHBondContact OG-CG 3.42Å; S8-E11 PolarHBondContact OG-N 3.12Å; S8-E11 VanDerWaalsContact OG-N 3.1Å; S8-E11 PolarHBondContact OG-OE2 3.06Å; E11-L15 WeakPolarHBondContact O-CB 3.48Å; E11-L15 PolarHBondContact O-N 2.89Å; E11-R200 IonicContact OE1-NH1 3.62Å; E11-R200 PolarHBondContact OE1-NH1 3.46Å
12	I	93.4	Very high	83.5	Confident	4 Å²	4	56.6 Å²	56.6	2%	0.021	29%	0.292	C	S	.	.	H	α-helix	trans	-60.2	-55.3	177.4	-66.4	166	0	0	0	110	L7 S8 L9 E10 R14 L15 Y16 I56 L192 T196	L7-I12 HydrophobicContact CB-CD1 4.37Å; L7-I12 HydrophobicContact CB-CG1 4.42Å; S8-I12 WeakPolarHBondContact O-CG1 3.41Å; S8-I12 PolarHBondContact O-N 2.98Å; S8-I12 VanDerWaalsContact O-N 3.16Å; L9-I12 HydrophobicContact CD1-CB 4.44Å; L9-I12 HydrophobicContact CD1-CD1 4.46Å; L9-I12 WeakPolarHBondContact O-CB 3.48Å; L9-I12 PolarHBondContact O-N 3.45Å; E10-I12 VanDerWaalsContact C-N 3.3Å; E10-I12 PolarHBondContact O-N 3.4Å; I12-R14 PolarHBondContact O-N 3.19Å; I12-L15 PolarHBondContact O-N 2.86Å; I12-Y16 HydrophobicContact CG2-CD2 4.19Å; I12-Y16 HydrophobicContact CG2-CE2 4.5Å; I12-Y16 WeakPolarHBondContact O-CD2 3.47Å; I12-Y16 PolarHBondContact O-N 3.07Å; I12-I56 HydrophobicContact CD1-CD1 3.69Å; I12-I56 HydrophobicContact CD1-CG1 4.21Å; I12-L192 HydrophobicContact CD1-CD2 4.34Å; I12-L192 HydrophobicContact CD1-CG 4.21Å; I12-L192 HydrophobicContact CG2-CD1 3.82Å; I12-L192 HydrophobicContact CG2-CD2 4.46Å; I12-L192 HydrophobicContact CG2-CG 4.29Å; I12-T196 HydrophobicContact CG1-CG2 3.93Å
13	L	92.9	Very high	86.4	Confident	2 Å²	2	49.5 Å²	49.5	1%	0.01	26%	0.26	C	S	.	.	H	α-helix	trans	-57.3	-46.1	179.5	-70.6	171	0	0	0	112	L9 E10 S17 I20 P51 A102 F105	L9-L13 HydrophobicContact CD1-CG 4.49Å; L9-L13 HydrophobicContact CG-CD1 4.28Å; L9-L13 HydrophobicContact CG-CG 4.48Å; L9-L13 VanDerWaalsContact O-CG 3.3Å; L9-L13 WeakPolarHBondContact O-CG 3.49Å; L9-L13 PolarHBondContact O-N 2.84Å; E10-L13 PolarHBondContact O-N 3.24Å; L13-S17 WeakPolarHBondContact O-CA 3.39Å; L13-S17 PolarHBondContact O-N 3.08Å; L13-I20 HydrophobicContact CD2-CG2 4.08Å; L13-P51 HydrophobicContact CD1-CB 4.09Å; L13-P51 HydrophobicContact CD1-CG 4.14Å; L13-A102 HydrophobicContact CD1-CB 3.96Å; L13-A102 HydrophobicContact CD2-CB 4.41Å; L13-F105 HydrophobicContact CB-CD1 3.94Å; L13-F105 HydrophobicContact CB-CD2 4.01Å; L13-F105 HydrophobicContact CB-CE1 3.94Å; L13-F105 HydrophobicContact CB-CE2 4.01Å; L13-F105 HydrophobicContact CB-CG 3.98Å; L13-F105 HydrophobicContact CB-CZ 3.98Å; L13-F105 HydrophobicContact CD1-CB 4.39Å; L13-F105 HydrophobicContact CD1-CD2 4.05Å; L13-F105 HydrophobicContact CD1-CG 4.22Å; L13-F105 HydrophobicContact CD2-CB 3.86Å; L13-F105 HydrophobicContact CD2-CD1 4.15Å; L13-F105 HydrophobicContact CD2-CG 3.94Å; L13-F105 HydrophobicContact CG-CD2 4.44Å; L13-F105 HydrophobicContact CG-CG 4.27Å; L13-F105 WeakPolarHBondContact O-CE1 3.27Å
14	R	90.6	Very high	89	Confident	144 Å²	144	43.2 Å²	43.2	54%	0.543	23%	0.225	S	C	.	.	H	α-helix	trans	-62.1	-46.2	176.3	-73.7	172.2	175	161.2	-0.6	112.2	E10 I12 S17	E10-R14 VanDerWaalsContact CD-NH1 3.34Å; E10-R14 HydrophobicContact CG-CG 4.38Å; E10-R14 WeakPolarHBondContact O-CB 3.48Å; E10-R14 VanDerWaalsContact O-CG 3.25Å; E10-R14 WeakPolarHBondContact O-CG 3.31Å; E10-R14 PolarHBondContact O-N 2.88Å; E10-R14 IonicContact OE1-CZ 2.89Å; E10-R14 VanDerWaalsContact OE1-CZ 3.24Å; E10-R14 IonicContact OE1-NE 3.57Å; E10-R14 IonicContact OE1-NH1 2.63Å; E10-R14 IonicContact OE1-NH2 2.6Å; E10-R14 PolarHBondContact OE1-NH2 3.18Å; E10-R14 IonicContact OE2-CZ 2.7Å; E10-R14 IonicContact OE2-NE 3.46Å; E10-R14 IonicContact OE2-NH1 2.66Å; E10-R14 PolarHBondContact OE2-NH1 3.19Å; E10-R14 IonicContact OE2-NH2 3.83Å; E10-R14 PolarHBondContact OE2-NH2 3.4Å; I12-R14 PolarHBondContact O-N 3.19Å; R14-S17 PolarHBondContact O-N 2.83Å; R14-S17 PolarHBondContact O-OG 3.37Å
15	L	89.3	Confident	91	Very high	43 Å²	43	39.2 Å²	39.2	23%	0.225	19%	0.192	C	C	.	.	H	α-helix	trans	-66.6	-40.7	-176.5	-165.7	76.8	0	0	0	112.1	E11 I12 T196 L199 R200 L203 A237	E11-L15 WeakPolarHBondContact O-CB 3.48Å; E11-L15 PolarHBondContact O-N 2.89Å; I12-L15 PolarHBondContact O-N 2.86Å; L15-T196 HydrophobicContact CD2-CG2 3.59Å; L15-L199 HydrophobicContact CD2-CB 4.17Å; L15-L199 HydrophobicContact CD2-CD2 3.94Å; L15-L199 HydrophobicContact CD2-CG 3.87Å; L15-L199 HydrophobicContact CG-CD2 3.99Å; L15-L199 HydrophobicContact CG-CG 4.14Å; L15-R200 HydrophobicContact CD2-CB 3.97Å; L15-L203 HydrophobicContact CD1-CD1 3.7Å; L15-L203 HydrophobicContact CG-CD1 4.15Å; L15-A237 VanDerWaalsContact O-CB 3.3Å; L15-A237 WeakPolarHBondContact O-CB 3.32Å
16	Y	86.3	Confident	92.1	Very high	21 Å²	21	34.4 Å²	34.4	8%	0.082	17%	0.169	C	C	.	.	H	α-helix	trans	-78.4	-23.3	175.6	-80.9	-92.7	0	0	0	113.2	I12 Q18 E195 T196 L199 V241	I12-Y16 HydrophobicContact CG2-CD2 4.19Å; I12-Y16 HydrophobicContact CG2-CE2 4.5Å; I12-Y16 WeakPolarHBondContact O-CD2 3.47Å; I12-Y16 PolarHBondContact O-N 3.07Å; Y16-Q18 PolarHBondContact O-N 3.22Å; Y16-Q18 PolarHBondContact O-NE2 2.8Å; Y16-E195 VanDerWaalsContact OH-C 3.3Å; Y16-E195 VanDerWaalsContact OH-CB 3.25Å; Y16-E195 WeakPolarHBondContact OH-CB 3.49Å; Y16-E195 PolarHBondContact OH-O 2.65Å; Y16-T196 HydrophobicContact CE2-CG2 4.23Å; Y16-T196 WeakPolarHBondContact CE2-OG1 3.46Å; Y16-T196 PolarHBondContact OH-N 3.41Å; Y16-L199 HydrophobicContact CD1-CD2 3.99Å; Y16-L199 HydrophobicContact CD2-CD2 4Å; Y16-L199 HydrophobicContact CE1-CD2 3.87Å; Y16-L199 HydrophobicContact CE2-CD2 3.85Å; Y16-L199 HydrophobicContact CG-CD2 4.08Å; Y16-V241 HydrophobicContact CD1-CG2 3.49Å; Y16-V241 VanDerWaalsContact CD1-CG2 3.49Å; Y16-V241 HydrophobicContact CE1-CG2 3.58Å
17	S	86.6	Confident	92.5	Very high	51 Å²	51	32.9 Å²	32.9	36%	0.357	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	35.7	-174.4	-59.1	0	0	0	0	112.6	L13 R14	L13-S17 WeakPolarHBondContact O-CA 3.39Å; L13-S17 PolarHBondContact O-N 3.08Å; R14-S17 PolarHBondContact O-N 2.83Å; R14-S17 PolarHBondContact O-OG 3.37Å
18	Q	85.9	Confident	92.7	Very high	57 Å²	57	32.8 Å²	32.8	27%	0.266	16%	0.16	S	C	.	.	S	Bend	trans	-152.4	154.9	-172.2	-79.1	162.2	103.3	0	0	108.3	Y16	Y16-Q18 PolarHBondContact O-N 3.22Å; Y16-Q18 PolarHBondContact O-NE2 2.8Å
19	P	91.4	Very high	92.8	Very high	50 Å²	50	32.3 Å²	32.3	33%	0.325	16%	0.157	S	C	.	.	P	Polyproline II helix	trans	-75.4	166.1	175.7	32.1	-34.7	0	0	0	112.6	A102 L103 F105	P19-A102 VanDerWaalsContact CA-O 3.32Å; P19-A102 WeakPolarHBondContact CA-O 3.31Å; P19-A102 WeakPolarHBondContact CB-O 3.4Å; P19-L103 WeakPolarHBondContact CB-O 3.29Å; P19-F105 HydrophobicContact CB-CB 4.19Å; P19-F105 WeakPolarHBondContact CD-O 3.42Å
20	I	93.1	Very high	92.9	Very high	5 Å²	5	33.1 Å²	33.1	3%	0.026	16%	0.16	C	C	.	.	P	Polyproline II helix	trans	-69.7	156.3	170.6	61.5	178.5	0	0	0	111.8	L9 L13 Q24 A25 A102 L103 R113	L9-I20 HydrophobicContact CD1-CG2 3.97Å; L13-I20 HydrophobicContact CD2-CG2 4.08Å; I20-Q24 HydrophobicContact CB-CB 4Å; I20-A25 HydrophobicContact CD1-CB 3.86Å; I20-A25 HydrophobicContact CG1-CB 4.46Å; I20-A102 HydrophobicContact CD1-CB 3.75Å; I20-A102 HydrophobicContact CG1-CB 4.02Å; I20-A102 PolarHBondContact N-O 3.02Å; I20-A102 VanDerWaalsContact N-O 3.08Å; I20-L103 HydrophobicContact CG1-CD2 4.1Å; I20-L103 HydrophobicContact CG1-CG 4.28Å; I20-R113 PolarHBondContact O-NH1 2.9Å; I20-R113 PolarHBondContact O-NH2 2.89Å
21	N	91.1	Very high	93	Very high	54 Å²	54	30.3 Å²	30.3	29%	0.289	15%	0.147	S	C	.	.	P	Polyproline II helix	trans	-80	168	169.4	81.1	20	0	0	0	111.2	E23 Q24 A25 Y268	N21-E23 PolarHBondContact O-N 2.82Å; N21-E23 PolarHBondContact OD1-N 3.49Å; N21-E23 VanDerWaalsContact OD1-N 3.15Å; N21-Q24 WeakPolarHBondContact O-CB 3.37Å; N21-Q24 PolarHBondContact O-N 2.82Å; N21-Q24 WeakPolarHBondContact OD1-CB 3.33Å; N21-Q24 VanDerWaalsContact OD1-CG 3.23Å; N21-Q24 WeakPolarHBondContact OD1-CG 3.45Å; N21-Q24 PolarHBondContact OD1-N 2.76Å; N21-A25 PolarHBondContact O-N 2.89Å; N21-Y268 PolarHBondContact ND2-OH 2.82Å; N21-Y268 VanDerWaalsContact ND2-OH 3.08Å
22	E	93.6	Very high	93.1	Very high	50 Å²	50	27 Å²	27	23%	0.234	13%	0.132	C	C	.	.	H	α-helix	trans	-63.3	-40.3	-176.9	-65.9	-169.1	-155.6	0	0	112.6	Q24 A25 W26 S116 L119	E22-Q24 VanDerWaalsContact C-N 3.28Å; E22-Q24 PolarHBondContact O-N 2.88Å; E22-A25 WeakPolarHBondContact O-CA 3.23Å; E22-A25 WeakPolarHBondContact O-CB 3.25Å; E22-A25 PolarHBondContact O-N 3.09Å; E22-W26 PolarHBondContact O-N 3.08Å; E22-S116 PolarHBondContact OE1-N 3.49Å; E22-S116 VanDerWaalsContact OE1-N 3.16Å; E22-S116 WeakPolarHBondContact OE2-CB 3.45Å; E22-S116 PolarHBondContact OE2-N 2.69Å; E22-S116 PolarHBondContact OE2-OG 3.42Å; E22-L119 HydrophobicContact CB-CD2 3.69Å; E22-L119 HydrophobicContact CG-CD2 3.58Å
23	E	93.3	Very high	93.1	Very high	28 Å²	28	26.9 Å²	26.9	13%	0.131	13%	0.131	C	C	.	.	H	α-helix	trans	-64.9	-34.2	179.8	-159.4	58.7	-146.2	0	0	112	N21 A27 H174 H184 V188 Y268	N21-E23 PolarHBondContact O-N 2.82Å; N21-E23 PolarHBondContact OD1-N 3.49Å; N21-E23 VanDerWaalsContact OD1-N 3.15Å; E23-A27 VanDerWaalsContact O-CB 3.23Å; E23-A27 WeakPolarHBondContact O-CB 3.24Å; E23-A27 PolarHBondContact O-N 2.84Å; E23-H174 IonicContact OE1-CD2 2.68Å; E23-H174 IonicContact OE1-NE2 2.65Å; E23-H174 IonicContact OE2-CD2 2.69Å; E23-H174 IonicContact OE2-CE1 2.69Å; E23-H174 IonicContact OE2-NE2 3.43Å; E23-H174 PolarHBondContact OE2-NE2 2.95Å; E23-H184 IonicContact OE1-CD2 3.22Å; E23-H184 IonicContact OE1-CE1 3.91Å; E23-H184 IonicContact OE1-NE2 2.9Å; E23-H184 PolarHBondContact OE1-NE2 2.94Å; E23-V188 HydrophobicContact CG-CG2 4.11Å; E23-Y268 HydrophobicContact CB-CE2 4.43Å; E23-Y268 HydrophobicContact CG-CD2 4.43Å; E23-Y268 HydrophobicContact CG-CE2 4.03Å
24	Q	95.2	Very high	93	Very high	30 Å²	30	28.8 Å²	28.8	14%	0.14	14%	0.14	C	C	.	.	H	α-helix	trans	-68	-36.7	170.7	-70.9	163.3	-6.6	0	0	111.9	I20 N21 E22 A27 V28 V188 L192	I20-Q24 HydrophobicContact CB-CB 4Å; N21-Q24 WeakPolarHBondContact O-CB 3.37Å; N21-Q24 PolarHBondContact O-N 2.82Å; N21-Q24 WeakPolarHBondContact OD1-CB 3.33Å; N21-Q24 VanDerWaalsContact OD1-CG 3.23Å; N21-Q24 WeakPolarHBondContact OD1-CG 3.45Å; N21-Q24 PolarHBondContact OD1-N 2.76Å; E22-Q24 VanDerWaalsContact C-N 3.28Å; E22-Q24 PolarHBondContact O-N 2.88Å; Q24-A27 PolarHBondContact O-N 3.19Å; Q24-V28 WeakPolarHBondContact O-CB 3.39Å; Q24-V28 VanDerWaalsContact O-CG2 3.27Å; Q24-V28 WeakPolarHBondContact O-CG2 3.26Å; Q24-V28 PolarHBondContact O-N 3.47Å; Q24-V188 HydrophobicContact CB-CG1 4.46Å; Q24-V188 HydrophobicContact CG-CG1 3.91Å; Q24-L192 HydrophobicContact CB-CD2 4.49Å; Q24-L192 HydrophobicContact CG-CD2 4.22Å
25	A	96.9	Very high	93	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-65.5	-47.4	174	0	0	0	0	0	111.7	I20 N21 E22 A27 V28 C29 I99 L103 L119	I20-A25 HydrophobicContact CD1-CB 3.86Å; I20-A25 HydrophobicContact CG1-CB 4.46Å; N21-A25 PolarHBondContact O-N 2.89Å; E22-A25 WeakPolarHBondContact O-CA 3.23Å; E22-A25 WeakPolarHBondContact O-CB 3.25Å; E22-A25 PolarHBondContact O-N 3.09Å; A25-A27 VanDerWaalsContact C-N 3.33Å; A25-A27 PolarHBondContact O-N 3.33Å; A25-V28 PolarHBondContact O-N 2.94Å; A25-C29 WeakPolarHBondContact O-CB 3.47Å; A25-C29 PolarHBondContact O-N 3.42Å; A25-I99 HydrophobicContact CB-CG2 3.8Å; A25-L103 HydrophobicContact CB-CD1 3.97Å; A25-L103 HydrophobicContact CB-CD2 3.9Å; A25-L103 HydrophobicContact CB-CG 4.09Å; A25-L119 HydrophobicContact CB-CD2 4.42Å
26	W	97.1	Very high	93	Very high	5 Å²	5	21.7 Å²	21.7	2%	0.019	11%	0.114	C	C	.	.	H	α-helix	trans	-55.7	-47.1	171.5	-73.4	111.5	0	0	0	111.7	E22 C29 Y30 P118 L119 L122 C171 H174 Y185	E22-W26 PolarHBondContact O-N 3.08Å; W26-C29 PolarHBondContact O-N 3.32Å; W26-Y30 VanDerWaalsContact O-CB 3.25Å; W26-Y30 WeakPolarHBondContact O-CB 3.36Å; W26-Y30 PolarHBondContact O-N 3.31Å; W26-P118 HydrophobicContact CH2-CB 4.46Å; W26-P118 WeakPolarHBondContact CH2-O 3.44Å; W26-P118 HydrophobicContact CZ2-CB 4.13Å; W26-L119 HydrophobicContact CD2-CD1 4.2Å; W26-L119 HydrophobicContact CZ2-CB 3.78Å; W26-L119 HydrophobicContact CZ2-CD1 4.16Å; W26-L122 HydrophobicContact CE3-CD2 3.78Å; W26-L122 HydrophobicContact CH2-CB 4.1Å; W26-L122 HydrophobicContact CH2-CD2 4.06Å; W26-L122 HydrophobicContact CZ3-CB 4.29Å; W26-L122 HydrophobicContact CZ3-CD2 3.44Å; W26-L122 VanDerWaalsContact CZ3-CD2 3.44Å; W26-L122 HydrophobicContact CZ3-CG 4.39Å; W26-C171 HydrophobicContact CE3-CB 4.07Å; W26-C171 HydrophobicContact CZ3-CB 4.39Å; W26-H174 AromaticContact CD1-CD2 3.76Å; W26-H174 AromaticContact CD1-CE1 3.79Å; W26-H174 AromaticContact CD1-NE2 3.51Å; W26-H174 HydrophobicContact CD2-CB 4.18Å; W26-H174 AromaticContact CD2-CG 3.96Å; W26-H174 AromaticContact CE2-CG 3.75Å; W26-H174 AromaticContact CE2-ND1 3.71Å; W26-H174 HydrophobicContact CE3-CB 4.18Å; W26-H174 AromaticContact CG-CD2 3.85Å; W26-H174 HydrophobicContact CH2-CB 4.23Å; W26-H174 HydrophobicContact CZ2-CB 4.21Å; W26-H174 AromaticContact CZ2-ND1 3.94Å; W26-H174 HydrophobicContact CZ3-CB 4.19Å; W26-H174 AromaticContact NE1-CD2 3.94Å; W26-H174 AromaticContact NE1-CE1 3.46Å; W26-H174 PolarHBondContact NE1-CE1 3.37Å; W26-H174 AromaticContact NE1-CG 3.9Å; W26-H174 AromaticContact NE1-ND1 3.62Å; W26-H174 AromaticContact NE1-NE2 3.68Å; W26-Y185 HydrophobicContact CB-CE1 3.74Å
27	A	96.8	Very high	93	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-65	-46.9	-178.8	0	0	0	0	0	113.5	E23 Q24 A25 Y30 Q31 Y185 V188	E23-A27 VanDerWaalsContact O-CB 3.23Å; E23-A27 WeakPolarHBondContact O-CB 3.24Å; E23-A27 PolarHBondContact O-N 2.84Å; Q24-A27 PolarHBondContact O-N 3.19Å; A25-A27 VanDerWaalsContact C-N 3.33Å; A25-A27 PolarHBondContact O-N 3.33Å; A27-Y30 PolarHBondContact O-N 2.9Å; A27-Q31 WeakPolarHBondContact O-CB 3.42Å; A27-Q31 WeakPolarHBondContact O-CG 3.28Å; A27-Q31 PolarHBondContact O-N 3.23Å; A27-Y185 VanDerWaalsContact CA-CD1 3.44Å; A27-Y185 HydrophobicContact CB-CD1 3.65Å; A27-Y185 HydrophobicContact CB-CG 4.23Å; A27-V188 HydrophobicContact CB-CB 3.57Å; A27-V188 HydrophobicContact CB-CG1 3.5Å; A27-V188 VanDerWaalsContact CB-CG1 3.5Å; A27-V188 HydrophobicContact CB-CG2 4.29Å
28	V	97.1	Very high	92.8	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-65.2	-45.4	177.6	173	0	0	0	0	109.8	L9 Q24 A25 Y30 Q31 C32 V54 I56 I99	L9-V28 HydrophobicContact CD2-CG1 4.4Å; Q24-V28 WeakPolarHBondContact O-CB 3.39Å; Q24-V28 VanDerWaalsContact O-CG2 3.27Å; Q24-V28 WeakPolarHBondContact O-CG2 3.26Å; Q24-V28 PolarHBondContact O-N 3.47Å; A25-V28 PolarHBondContact O-N 2.94Å; V28-Y30 PolarHBondContact O-N 3Å; V28-Q31 PolarHBondContact O-N 3.15Å; V28-C32 VanDerWaalsContact O-CB 3.23Å; V28-C32 WeakPolarHBondContact O-CB 3.25Å; V28-C32 PolarHBondContact O-N 3.31Å; V28-C32 PolarHBondContact O-SG 2.85Å; V28-V54 HydrophobicContact CG1-CG1 3.97Å; V28-I56 HydrophobicContact CG2-CD1 4.11Å; V28-I99 HydrophobicContact CB-CD1 4.07Å; V28-I99 HydrophobicContact CG1-CD1 3.83Å
29	C	96.9	Very high	92.1	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.014	14%	0.135	C	C	.	.	H	α-helix	trans	-58.3	-47.7	177.1	-174.1	0	0	0	0	112	A25 W26 C32 C33 I99 I167	A25-C29 WeakPolarHBondContact O-CB 3.47Å; A25-C29 PolarHBondContact O-N 3.42Å; W26-C29 PolarHBondContact O-N 3.32Å; C29-C32 PolarHBondContact O-N 3.03Å; C29-C33 WeakPolarHBondContact O-CB 3.45Å; C29-C33 PolarHBondContact O-N 3.21Å; C29-C33 PolarHBondContact O-SG 3.15Å; C29-I99 HydrophobicContact CB-CD1 4.3Å; C29-I99 HydrophobicContact CB-CG1 4.31Å; C29-I167 VanDerWaalsContact SG-CG2 3.6Å
30	Y	96.8	Very high	90.5	Very high	16 Å²	16	26.6 Å²	26.6	6%	0.063	14%	0.136	C	C	.	.	H	α-helix	trans	-59.8	-50.4	176.5	179.7	-89.8	0	0	0	112.2	W26 A27 V28 C32 C33 Q34 L168 C171 A181 P182 Y185	W26-Y30 VanDerWaalsContact O-CB 3.25Å; W26-Y30 WeakPolarHBondContact O-CB 3.36Å; W26-Y30 PolarHBondContact O-N 3.31Å; A27-Y30 PolarHBondContact O-N 2.9Å; V28-Y30 PolarHBondContact O-N 3Å; Y30-C32 PolarHBondContact O-N 3.21Å; Y30-C33 PolarHBondContact O-N 2.87Å; Y30-Q34 WeakPolarHBondContact O-CB 3.41Å; Y30-Q34 PolarHBondContact O-N 2.82Å; Y30-L168 HydrophobicContact CD1-CD2 4.42Å; Y30-L168 HydrophobicContact CD2-CD2 3.43Å; Y30-L168 VanDerWaalsContact CD2-CD2 3.43Å; Y30-L168 HydrophobicContact CE1-CD2 4.48Å; Y30-L168 HydrophobicContact CE2-CD2 3.51Å; Y30-L168 HydrophobicContact CG-CD2 3.91Å; Y30-L168 WeakPolarHBondContact O-CD2 3.46Å; Y30-C171 HydrophobicContact CD2-CB 3.76Å; Y30-C171 HydrophobicContact CG-CB 4.38Å; Y30-A181 HydrophobicContact CE2-CB 4.05Å; Y30-P182 WeakPolarHBondContact OH-CG 3.25Å; Y30-Y185 AromaticContact CD1-CD2 3.54Å; Y30-Y185 HydrophobicContact CD1-CD2 3.54Å; Y30-Y185 HydrophobicContact CD1-CG 4.02Å; Y30-Y185 AromaticContact CD2-CD2 3.63Å; Y30-Y185 HydrophobicContact CD2-CD2 3.63Å; Y30-Y185 AromaticContact CD2-CE2 3.87Å; Y30-Y185 HydrophobicContact CD2-CE2 3.87Å; Y30-Y185 HydrophobicContact CE1-CD2 4.03Å; Y30-Y185 HydrophobicContact CE2-CD2 4.13Å; Y30-Y185 HydrophobicContact CE2-CE2 4.44Å; Y30-Y185 AromaticContact CG-CD2 3.32Å; Y30-Y185 HydrophobicContact CG-CD2 3.32Å; Y30-Y185 AromaticContact CG-CE2 3.94Å; Y30-Y185 HydrophobicContact CG-CE2 3.94Å; Y30-Y185 HydrophobicContact CG-CG 4.05Å
31	Q	95.8	Very high	88.6	Confident	6 Å²	6	37.5 Å²	37.5	3%	0.028	18%	0.176	C	C	.	.	H	α-helix	trans	-66.9	-37.2	-179.5	-69.3	-65.9	-7.6	0	0	112.2	A27 V28 Q34 T35 V62 Q186	A27-Q31 WeakPolarHBondContact O-CB 3.42Å; A27-Q31 WeakPolarHBondContact O-CG 3.28Å; A27-Q31 PolarHBondContact O-N 3.23Å; V28-Q31 PolarHBondContact O-N 3.15Å; Q31-Q34 PolarHBondContact O-N 2.84Å; Q31-T35 PolarHBondContact O-N 3.36Å; Q31-T35 PolarHBondContact O-OG1 2.86Å; Q31-V62 HydrophobicContact CB-CB 3.78Å; Q31-V62 HydrophobicContact CB-CG2 3.51Å; Q31-V62 HydrophobicContact CG-CG2 4.21Å; Q31-Q186 VanDerWaalsContact NE2-N 3.18Å
32	C	94.3	Very high	86.7	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-59.1	-51.7	172.6	-71.2	0	0	0	0	111	V28 C29 Y30 Q34 T35 L36 M64 L95	V28-C32 VanDerWaalsContact O-CB 3.23Å; V28-C32 WeakPolarHBondContact O-CB 3.25Å; V28-C32 PolarHBondContact O-N 3.31Å; V28-C32 PolarHBondContact O-SG 2.85Å; C29-C32 PolarHBondContact O-N 3.03Å; Y30-C32 PolarHBondContact O-N 3.21Å; C32-Q34 VanDerWaalsContact C-N 3.31Å; C32-Q34 PolarHBondContact O-N 3.03Å; C32-T35 PolarHBondContact O-N 2.97Å; C32-L36 WeakPolarHBondContact O-CB 3.49Å; C32-L36 VanDerWaalsContact O-CG 3.29Å; C32-L36 WeakPolarHBondContact O-CG 3.46Å; C32-L36 PolarHBondContact O-N 3.34Å; C32-M64 HydrophobicContact CB-CE 3.55Å; C32-M64 WeakPolarHBondContact SG-CE 2.99Å; C32-L95 HydrophobicContact CB-CD1 3.77Å; C32-L95 HydrophobicContact CB-CD2 3.88Å
33	C	93.3	Very high	84.9	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-63.2	-36.3	177.6	-69.1	0	0	0	0	112.5	C29 Y30 L36 A37 L95 I167 L168	C29-C33 WeakPolarHBondContact O-CB 3.45Å; C29-C33 PolarHBondContact O-N 3.21Å; C29-C33 PolarHBondContact O-SG 3.15Å; Y30-C33 PolarHBondContact O-N 2.87Å; C33-L36 PolarHBondContact O-N 2.79Å; C33-A37 WeakPolarHBondContact O-CB 3.41Å; C33-A37 PolarHBondContact O-N 3.23Å; C33-L95 VanDerWaalsContact SG-CD2 3.56Å; C33-I167 HydrophobicContact CB-CG2 4.37Å; C33-I167 VanDerWaalsContact SG-CD1 3.56Å; C33-I167 VanDerWaalsContact SG-CG2 3.51Å; C33-L168 HydrophobicContact CB-CD1 4.46Å; C33-L168 HydrophobicContact CB-CD2 4.01Å; C33-L168 HydrophobicContact CB-CG 3.9Å
34	Q	92.4	Very high	83.2	Confident	43 Å²	43	41.2 Å²	41.2	20%	0.201	22%	0.221	C	C	.	.	H	α-helix	trans	-66.1	-39.4	176.2	-156.1	-166.2	106	0	0	111.8	Y30 Q31 C32 K38 L168	Y30-Q34 WeakPolarHBondContact O-CB 3.41Å; Y30-Q34 PolarHBondContact O-N 2.82Å; Q31-Q34 PolarHBondContact O-N 2.84Å; C32-Q34 VanDerWaalsContact C-N 3.31Å; C32-Q34 PolarHBondContact O-N 3.03Å; Q34-K38 WeakPolarHBondContact O-CD 3.04Å; Q34-K38 VanDerWaalsContact O-CG 3.26Å; Q34-K38 WeakPolarHBondContact O-CG 3.26Å; Q34-K38 PolarHBondContact O-N 3.49Å; Q34-L168 HydrophobicContact CB-CD2 4.14Å
35	T	90.4	Very high	81.7	Confident	25 Å²	25	40.6 Å²	40.6	15%	0.153	22%	0.22	C	C	.	.	H	α-helix	trans	-73.2	-38.9	176.1	-72.7	0	0	0	0	112.3	Q31 C32 K38 T39 V62	Q31-T35 PolarHBondContact O-N 3.36Å; Q31-T35 PolarHBondContact O-OG1 2.86Å; C32-T35 PolarHBondContact O-N 2.97Å; T35-K38 PolarHBondContact O-N 2.95Å; T35-T39 VanDerWaalsContact O-CB 3.25Å; T35-T39 WeakPolarHBondContact O-CB 3.39Å; T35-T39 PolarHBondContact O-N 3.42Å; T35-T39 PolarHBondContact O-OG1 3.3Å; T35-V62 WeakPolarHBondContact CB-O 3.25Å; T35-V62 WeakPolarHBondContact CG2-O 3.28Å; T35-V62 PolarHBondContact OG1-O 3.42Å
36	L	88.3	Confident	80.4	Confident	13 Å²	13	48 Å²	48	7%	0.068	25%	0.248	C	C	.	.	H	α-helix	trans	-63.8	-45.9	174.8	-71.7	166.3	0	0	0	111	C32 C33 K38 T39 H40 P45 M64 V91 Y164	C32-L36 WeakPolarHBondContact O-CB 3.49Å; C32-L36 VanDerWaalsContact O-CG 3.29Å; C32-L36 WeakPolarHBondContact O-CG 3.46Å; C32-L36 PolarHBondContact O-N 3.34Å; C33-L36 PolarHBondContact O-N 2.79Å; L36-K38 VanDerWaalsContact C-N 3.28Å; L36-K38 PolarHBondContact O-N 3.25Å; L36-T39 PolarHBondContact O-N 3.07Å; L36-T39 VanDerWaalsContact O-N 3.15Å; L36-H40 WeakPolarHBondContact O-CB 3.43Å; L36-H40 PolarHBondContact O-N 3.45Å; L36-P45 HydrophobicContact CD2-CB 4.26Å; L36-M64 HydrophobicContact CD1-CE 4.28Å; L36-V91 HydrophobicContact CD1-CG1 3.85Å; L36-V91 HydrophobicContact CD2-CG1 4.24Å; L36-Y164 HydrophobicContact CB-CD1 4.01Å; L36-Y164 HydrophobicContact CB-CD2 4.35Å; L36-Y164 HydrophobicContact CB-CE1 3.92Å; L36-Y164 HydrophobicContact CB-CE2 4.27Å; L36-Y164 HydrophobicContact CB-CG 4.24Å; L36-Y164 HydrophobicContact CD1-CD1 4.11Å; L36-Y164 HydrophobicContact CD1-CE1 3.74Å; L36-Y164 HydrophobicContact CG-CE1 4.37Å
37	A	86.4	Confident	79.7	Confident	40 Å²	40	54.7 Å²	54.7	33%	0.331	27%	0.273	S	S	.	.	H	α-helix	trans	-62.6	-29.5	177.1	0	0	0	0	0	113.9	C33	C33-A37 WeakPolarHBondContact O-CB 3.41Å; C33-A37 PolarHBondContact O-N 3.23Å
38	K	82.7	Confident	79.3	Confident	122 Å²	122	55.4 Å²	55.4	53%	0.53	28%	0.277	S	S	.	.	H	α-helix	trans	-74.9	-47.1	170.5	-69.3	165	-171.3	167.8	0	111.4	Q34 T35 L36 H40 R41	Q34-K38 WeakPolarHBondContact O-CD 3.04Å; Q34-K38 VanDerWaalsContact O-CG 3.26Å; Q34-K38 WeakPolarHBondContact O-CG 3.26Å; Q34-K38 PolarHBondContact O-N 3.49Å; T35-K38 PolarHBondContact O-N 2.95Å; L36-K38 VanDerWaalsContact C-N 3.28Å; L36-K38 PolarHBondContact O-N 3.25Å; K38-H40 VanDerWaalsContact C-N 3.33Å; K38-H40 PolarHBondContact O-N 3.49Å; K38-R41 PolarHBondContact O-N 3.36Å
39	T	71.4	Confident	78.8	Confident	45 Å²	45	60.8 Å²	60.8	28%	0.276	31%	0.314	S	S	.	.	H	α-helix	trans	-69.4	-27	-173.6	-55.7	0	0	0	0	113.3	T35 L36 R41 A42 T43	T35-T39 VanDerWaalsContact O-CB 3.25Å; T35-T39 WeakPolarHBondContact O-CB 3.39Å; T35-T39 PolarHBondContact O-N 3.42Å; T35-T39 PolarHBondContact O-OG1 3.3Å; L36-T39 PolarHBondContact O-N 3.07Å; L36-T39 VanDerWaalsContact O-N 3.15Å; T39-R41 PolarHBondContact O-N 2.93Å; T39-A42 PolarHBondContact O-N 2.69Å; T39-T43 WeakPolarHBondContact CG2-OG1 3.38Å; T39-T43 PolarHBondContact O-N 3.37Å; T39-T43 VanDerWaalsContact O-N 3.08Å
40	H	57.6	Low	78.4	Confident	75 Å²	75	61.5 Å²	61.5	35%	0.347	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-19.8	173.1	-170.6	-82.6	0	0	0	114	L36 K38 Y83 N88	L36-H40 WeakPolarHBondContact O-CB 3.43Å; L36-H40 PolarHBondContact O-N 3.45Å; K38-H40 VanDerWaalsContact C-N 3.33Å; K38-H40 PolarHBondContact O-N 3.49Å; H40-Y83 WeakPolarHBondContact NE2-CB 3.42Å; H40-Y83 AromaticContact NE2-CD1 3.41Å; H40-Y83 WeakPolarHBondContact NE2-CD1 3.18Å; H40-Y83 AromaticContact NE2-CG 3.57Å; H40-N88 PolarHBondContact NE2-ND2 2.62Å; H40-N88 VanDerWaalsContact NE2-ND2 3.14Å
41	R	53.7	Low	78.2	Confident	234 Å²	234	61.9 Å²	61.9	88%	0.883	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-6.1	175	-62.9	-178.3	177.1	174.8	-1.2	115	K38 T39	K38-R41 PolarHBondContact O-N 3.36Å; T39-R41 PolarHBondContact O-N 2.93Å
42	A	50	Low	78	Confident	83 Å²	83	62.9 Å²	62.9	69%	0.686	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.2	-40.7	-169	0	0	0	0	0	114.4	T39	T39-A42 PolarHBondContact O-N 2.69Å
43	T	56.6	Low	77.8	Confident	64 Å²	64	65.1 Å²	65.1	39%	0.393	35%	0.35	S	S	.	.	S	Bend	trans	-142.7	155	-178.5	51.3	0	0	0	0	111.9	T39	T39-T43 WeakPolarHBondContact CG2-OG1 3.38Å; T39-T43 PolarHBondContact O-N 3.37Å; T39-T43 VanDerWaalsContact O-N 3.08Å
44	A	58.1	Low	77.8	Confident	62 Å²	62	65.1 Å²	65.1	51%	0.512	35%	0.35	S	S	.	.			trans	-67.1	126.3	175.4	0	0	0	0	0	110.3
45	P	61.9	Low	77.9	Confident	18 Å²	18	65.4 Å²	65.4	12%	0.117	35%	0.35	C	S	.	.			trans	-69.3	149.8	173.8	32.2	-34.4	0	0	0	109.7	L36 V87 V91	L36-P45 HydrophobicContact CD2-CB 4.26Å; P45-V87 HydrophobicContact CG-CG1 4.16Å; P45-V91 HydrophobicContact CB-CG2 4.22Å
46	R	71.4	Confident	78.1	Confident	156 Å²	156	64.2 Å²	64.2	59%	0.589	34%	0.342	S	S	*	.			trans	-119	153.5	174.8	-68.8	-174.8	175.9	-171.1	-0.7	109.4
47	R	82.6	Confident	78.4	Confident	145 Å²	145	65 Å²	65	55%	0.547	35%	0.346	S	S	.	.			trans	-56.6	139.1	174.7	-161.4	-179.7	-169.7	-158.4	5.8	110.6	E93	R47-E93 IonicContact CZ-OE1 3.17Å; R47-E93 IonicContact NE-OE1 2.79Å; R47-E93 IonicContact NH2-OE1 2.65Å; R47-E93 PolarHBondContact NH2-OE1 2.73Å
48	I	88.3	Confident	78.7	Confident	14 Å²	14	70.4 Å²	70.4	7%	0.072	36%	0.362	C	S	.	.			trans	-80.4	122.6	175.2	-59.5	172.8	0	0	0	107.8	D53 V54 M64 S94 L95 M98	I48-D53 HydrophobicContact CG2-CB 4.38Å; I48-V54 HydrophobicContact CG2-CG2 4.37Å; I48-M64 HydrophobicContact CD1-CE 3.55Å; I48-M64 HydrophobicContact CD1-SD 4.21Å; I48-M64 HydrophobicContact CG1-CE 4.4Å; I48-S94 PolarHBondContact N-OG 3.48Å; I48-S94 WeakPolarHBondContact O-CB 3.31Å; I48-L95 HydrophobicContact CD1-CB 3.89Å; I48-L95 HydrophobicContact CD1-CD1 3.68Å; I48-L95 HydrophobicContact CD1-CG 4.35Å; I48-M98 HydrophobicContact CG2-CB 4.16Å; I48-M98 HydrophobicContact CG2-CG 3.94Å
49	S	86.7	Confident	79.2	Confident	113 Å²	113	68.2 Å²	68.2	79%	0.79	36%	0.356	S	S	*	.			trans	-84.3	-31.9	179.9	-56.9	0	0	0	0	111.5	D53	S49-D53 WeakPolarHBondContact CA-OD2 3.13Å; S49-D53 WeakPolarHBondContact CB-OD2 3.45Å; S49-D53 PolarHBondContact N-OD2 2.89Å
50	G	88.4	Confident	80.1	Confident	17 Å²	17	66 Å²	66	18%	0.175	34%	0.343	C	S	.	.	S	Bend	trans	177.9	-171.6	175.3	0	0	0	0	0	114.2	G52 D53	G50-G52 PolarHBondContact O-N 2.64Å; G50-G52 VanDerWaalsContact O-N 3.09Å; G50-D53 PolarHBondContact N-OD2 3.19Å; G50-D53 VanDerWaalsContact N-OD2 3.13Å; G50-D53 PolarHBondContact O-N 3.31Å; G50-D53 VanDerWaalsContact O-N 3.15Å
51	P	91.8	Very high	81.8	Confident	25 Å²	25	63.7 Å²	63.7	16%	0.162	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-7.2	-177.2	28.3	-35.4	0	0	0	114.1	L9 E10 L13 D53 M98	L9-P51 HydrophobicContact CB-CB 3.94Å; L9-P51 WeakPolarHBondContact CB-O 3.28Å; L9-P51 HydrophobicContact CD2-CB 4.08Å; L9-P51 HydrophobicContact CG-CB 3.93Å; L9-P51 PolarHBondContact N-O 3.02Å; E10-P51 HydrophobicContact CB-CB 4.26Å; E10-P51 HydrophobicContact CB-CG 4.15Å; E10-P51 PolarHBondContact N-O 2.73Å; L13-P51 HydrophobicContact CD1-CB 4.09Å; L13-P51 HydrophobicContact CD1-CG 4.14Å; P51-D53 VanDerWaalsContact C-N 3.34Å; P51-M98 HydrophobicContact CB-CG 4.47Å; P51-M98 HydrophobicContact CB-SD 4.01Å
52	G	90.8	Very high	83.7	Confident	27 Å²	27	52.6 Å²	52.6	28%	0.278	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-31.1	171.2	0	0	0	0	0	113	G50 V54	G50-G52 PolarHBondContact O-N 2.64Å; G50-G52 VanDerWaalsContact O-N 3.09Å; G52-V54 VanDerWaalsContact C-N 3.34Å
53	D	90.8	Very high	85.6	Confident	46 Å²	46	55.3 Å²	55.3	25%	0.246	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-27.8	-178.2	-53.2	-33.7	0	0	0	111.8	I48 S49 G50 P51 M64 D65	I48-D53 HydrophobicContact CG2-CB 4.38Å; S49-D53 WeakPolarHBondContact CA-OD2 3.13Å; S49-D53 WeakPolarHBondContact CB-OD2 3.45Å; S49-D53 PolarHBondContact N-OD2 2.89Å; G50-D53 PolarHBondContact N-OD2 3.19Å; G50-D53 VanDerWaalsContact N-OD2 3.13Å; G50-D53 PolarHBondContact O-N 3.31Å; G50-D53 VanDerWaalsContact O-N 3.15Å; P51-D53 VanDerWaalsContact C-N 3.34Å; D53-M64 CarbonylContact O-C 3.5Å; D53-M64 VanDerWaalsContact O-CA 3.32Å; D53-M64 WeakPolarHBondContact O-CA 3.5Å; D53-D65 PolarHBondContact O-N 3.13Å
54	V	93.9	Very high	87	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	118.5	-175.3	-175.5	0	0	0	0	110.4	S8 L9 V28 I48 G52 V62 M64 M98	S8-V54 CarbonylContact C-O 3.55Å; S8-V54 VanDerWaalsContact CA-O 3.29Å; S8-V54 WeakPolarHBondContact CA-O 3.38Å; L9-V54 HydrophobicContact CB-CB 4.2Å; L9-V54 HydrophobicContact CB-CG1 4.44Å; L9-V54 PolarHBondContact N-O 3.02Å; V28-V54 HydrophobicContact CG1-CG1 3.97Å; I48-V54 HydrophobicContact CG2-CG2 4.37Å; G52-V54 VanDerWaalsContact C-N 3.34Å; V54-V62 HydrophobicContact CG1-CG1 3.58Å; V54-M64 HydrophobicContact CG2-CE 4.48Å; V54-M64 HydrophobicContact CG2-SD 3.97Å; V54-M98 HydrophobicContact CG2-CE 3.74Å; V54-M98 HydrophobicContact CG2-SD 4Å
55	R	94.1	Very high	87.8	Confident	49 Å²	49	53.1 Å²	53.1	19%	0.185	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	112.2	-170.5	-67.2	-79.8	-86.8	-86.4	-9.5	111.7	D6 L7 V62 R63 D65	D6-R55 VanDerWaalsContact CG-NE 3.33Å; D6-R55 IonicContact OD1-CZ 3.87Å; D6-R55 IonicContact OD1-NE 3.06Å; D6-R55 PolarHBondContact OD1-NE 3.5Å; D6-R55 IonicContact OD1-NH2 3.02Å; D6-R55 PolarHBondContact OD1-NH2 3.44Å; D6-R55 IonicContact OD2-NE 3.28Å; D6-R55 IonicContact OD2-NH2 3.99Å; L7-R55 CarbonylContact O-C 3.59Å; L7-R55 WeakPolarHBondContact O-CA 3.33Å; R55-V62 CarbonylContact O-C 3.54Å; R55-V62 WeakPolarHBondContact O-CA 3.39Å; R55-R63 HydrophobicContact CB-CB 4.43Å; R55-R63 PolarHBondContact N-O 3.04Å; R55-R63 PolarHBondContact O-N 2.9Å; R55-D65 HydrophobicContact CG-CB 4.23Å; R55-D65 IonicContact CZ-OD2 2.61Å; R55-D65 IonicContact NH1-OD2 3.22Å; R55-D65 PolarHBondContact NH1-OD2 3.06Å; R55-D65 IonicContact NH2-OD2 3.64Å
56	I	95.4	Very high	87.8	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	130.9	178.1	-47.4	-170.3	0	0	0	109.8	D6 L7 I12 V28 V62 C189 L192 Y193	D6-I56 WeakPolarHBondContact CB-O 3.45Å; L7-I56 PolarHBondContact N-O 3.06Å; L7-I56 PolarHBondContact O-N 3.47Å; I12-I56 HydrophobicContact CD1-CD1 3.69Å; I12-I56 HydrophobicContact CD1-CG1 4.21Å; V28-I56 HydrophobicContact CG2-CD1 4.11Å; I56-V62 HydrophobicContact CG1-CG2 4.27Å; I56-C189 HydrophobicContact CG2-CB 4.02Å; I56-C189 WeakPolarHBondContact CG2-O 3.36Å; I56-L192 HydrophobicContact CD1-CD2 3.79Å; I56-L192 HydrophobicContact CD1-CG 4.43Å; I56-Y193 WeakPolarHBondContact O-CD2 3.47Å
57	Q	94	Very high	86.8	Confident	31 Å²	31	59.5 Å²	59.5	15%	0.145	29%	0.288	C	S	.	.			trans	-100.8	163.1	-176.3	-54.4	-134.7	-64.6	0	0	112.5	D6 D59 G60 S61 R63	D6-Q57 HydrophobicContact CB-CG 4.26Å; D6-Q57 PolarHBondContact OD2-NE2 2.91Å; Q57-D59 WeakPolarHBondContact CB-OD1 3.41Å; Q57-D59 PolarHBondContact O-N 3.31Å; Q57-D59 VanDerWaalsContact O-N 3.13Å; Q57-G60 PolarHBondContact O-N 3.35Å; Q57-S61 WeakPolarHBondContact CB-O 3.44Å; Q57-S61 PolarHBondContact N-O 3.44Å; Q57-S61 PolarHBondContact OE1-OG 3.36Å; Q57-R63 HydrophobicContact CG-CG 4.29Å
58	K	92.3	Very high	85	Confident	153 Å²	153	55.5 Å²	55.5	67%	0.665	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-24.9	-179.5	-176.9	177.8	176.2	-176.5	0	114.5	Y193	K58-Y193 HydrophobicContact CB-CD1 4.25Å; K58-Y193 HydrophobicContact CB-CE1 3.69Å; K58-Y193 HydrophobicContact CG-CD1 4.47Å; K58-Y193 HydrophobicContact CG-CE1 3.87Å
59	D	92.5	Very high	82.6	Confident	75 Å²	75	59.1 Å²	59.1	40%	0.401	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-5.1	176.5	72.6	-26.8	0	0	0	113.5	Q57 S61 Q186	Q57-D59 WeakPolarHBondContact CB-OD1 3.41Å; Q57-D59 PolarHBondContact O-N 3.31Å; Q57-D59 VanDerWaalsContact O-N 3.13Å; D59-S61 VanDerWaalsContact OD1-CB 3.3Å; D59-S61 WeakPolarHBondContact OD1-CB 3.18Å; D59-S61 PolarHBondContact OD1-N 3.45Å; D59-S61 PolarHBondContact OD1-OG 3.21Å; D59-S61 PolarHBondContact OD2-OG 3.3Å; D59-Q186 WeakPolarHBondContact O-CG 3.37Å; D59-Q186 PolarHBondContact O-NE2 3.05Å
60	G	91.4	Very high	80.4	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	32%	0.324	C	S	.	.	S	Bend	trans	84.2	6.8	-173.6	0	0	0	0	0	115	Q57 Q186 C189	Q57-G60 PolarHBondContact O-N 3.35Å; G60-Q186 WeakPolarHBondContact CA-O 3.39Å; G60-C189 WeakPolarHBondContact O-CB 3.47Å
61	S	92.4	Very high	78.1	Confident	25 Å²	25	70.5 Å²	70.5	18%	0.175	36%	0.358	C	S	.	.			trans	-73.6	156.3	165.4	69.1	0	0	0	0	110.9	Q57 D59	Q57-S61 WeakPolarHBondContact CB-O 3.44Å; Q57-S61 PolarHBondContact N-O 3.44Å; Q57-S61 PolarHBondContact OE1-OG 3.36Å; D59-S61 VanDerWaalsContact OD1-CB 3.3Å; D59-S61 WeakPolarHBondContact OD1-CB 3.18Å; D59-S61 PolarHBondContact OD1-N 3.45Å; D59-S61 PolarHBondContact OD1-OG 3.21Å; D59-S61 PolarHBondContact OD2-OG 3.3Å
62	V	93.5	Very high	75.4	Confident	1 Å²	1	71.9 Å²	71.9	1%	0.006	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	134.1	177.4	-177.9	0	0	0	0	109.8	Q31 T35 V54 R55 I56	Q31-V62 HydrophobicContact CB-CB 3.78Å; Q31-V62 HydrophobicContact CB-CG2 3.51Å; Q31-V62 HydrophobicContact CG-CG2 4.21Å; T35-V62 WeakPolarHBondContact CB-O 3.25Å; T35-V62 WeakPolarHBondContact CG2-O 3.28Å; T35-V62 PolarHBondContact OG1-O 3.42Å; V54-V62 HydrophobicContact CG1-CG1 3.58Å; R55-V62 CarbonylContact O-C 3.54Å; R55-V62 WeakPolarHBondContact O-CA 3.39Å; I56-V62 HydrophobicContact CG1-CG2 4.27Å
63	R	89.7	Confident	72.6	Confident	141 Å²	141	79.6 Å²	79.6	53%	0.532	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	162	174.4	-59.6	-169.8	-170.9	-172.1	10.2	110.5	R55 Q57	R55-R63 HydrophobicContact CB-CB 4.43Å; R55-R63 PolarHBondContact N-O 3.04Å; R55-R63 PolarHBondContact O-N 2.9Å; Q57-R63 HydrophobicContact CG-CG 4.29Å
64	M	86.3	Confident	69.8	Low	41 Å²	41	83.2 Å²	83.2	20%	0.202	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	126.6	164.5	-54.7	-56.4	-176	0	0	108.1	C32 L36 I48 D53 V54	C32-M64 HydrophobicContact CB-CE 3.55Å; C32-M64 WeakPolarHBondContact SG-CE 2.99Å; L36-M64 HydrophobicContact CD1-CE 4.28Å; I48-M64 HydrophobicContact CD1-CE 3.55Å; I48-M64 HydrophobicContact CD1-SD 4.21Å; I48-M64 HydrophobicContact CG1-CE 4.4Å; D53-M64 CarbonylContact O-C 3.5Å; D53-M64 VanDerWaalsContact O-CA 3.32Å; D53-M64 WeakPolarHBondContact O-CA 3.5Å; V54-M64 HydrophobicContact CG2-CE 4.48Å; V54-M64 HydrophobicContact CG2-SD 3.97Å
65	D	74.9	Confident	67	Low	38 Å²	38	91 Å²	91	20%	0.203	47%	0.473	C	S	.	.			trans	-75.1	154.6	164.5	-154	-35.7	0	0	0	109.3	D53 R55 R67	D53-D65 PolarHBondContact O-N 3.13Å; R55-D65 HydrophobicContact CG-CB 4.23Å; R55-D65 IonicContact CZ-OD2 2.61Å; R55-D65 IonicContact NH1-OD2 3.22Å; R55-D65 PolarHBondContact NH1-OD2 3.06Å; R55-D65 IonicContact NH2-OD2 3.64Å; D65-R67 WeakPolarHBondContact OD1-CB 3.35Å; D65-R67 WeakPolarHBondContact OD1-CG 3.41Å; D65-R67 IonicContact OD1-CZ 3.7Å; D65-R67 PolarHBondContact OD1-N 3.18Å; D65-R67 VanDerWaalsContact OD1-N 3.08Å; D65-R67 IonicContact OD1-NE 2.71Å; D65-R67 PolarHBondContact OD1-NE 2.93Å; D65-R67 IonicContact OD1-NH2 2.82Å; D65-R67 IonicContact OD2-CZ 3.91Å; D65-R67 IonicContact OD2-NE 2.95Å; D65-R67 PolarHBondContact OD2-NE 3.46Å; D65-R67 IonicContact OD2-NH2 2.68Å; D65-R67 PolarHBondContact OD2-NH2 3.02Å
66	Q	63	Low	64.2	Low	107 Å²	107	93.8 Å²	93.8	50%	0.5	50%	0.498	S	S	.	.			trans	-122.2	11.5	-178.7	-59.2	-171.5	-1.8	0	0	112	G68	Q66-G68 PolarHBondContact O-N 2.93Å
67	R	50.8	Low	61.7	Low	202 Å²	202	99.8 Å²	99.8	76%	0.762	54%	0.539	S	S	*	.			trans	-70.1	73.1	176	-83.5	-179.8	-86.5	-146	-8.1	112.7	D65	D65-R67 WeakPolarHBondContact OD1-CB 3.35Å; D65-R67 WeakPolarHBondContact OD1-CG 3.41Å; D65-R67 IonicContact OD1-CZ 3.7Å; D65-R67 PolarHBondContact OD1-N 3.18Å; D65-R67 VanDerWaalsContact OD1-N 3.08Å; D65-R67 IonicContact OD1-NE 2.71Å; D65-R67 PolarHBondContact OD1-NE 2.93Å; D65-R67 IonicContact OD1-NH2 2.82Å; D65-R67 IonicContact OD2-CZ 3.91Å; D65-R67 IonicContact OD2-NE 2.95Å; D65-R67 PolarHBondContact OD2-NE 3.46Å; D65-R67 IonicContact OD2-NH2 2.68Å; D65-R67 PolarHBondContact OD2-NH2 3.02Å
68	G	43.1	Very low	59.1	Low	60 Å²	60	103.9 Å²	103.9	62%	0.619	57%	0.567	S	S	*	*	S	Bend	trans	-162.4	37.3	-176.8	0	0	0	0	0	115.3	Q66	Q66-G68 PolarHBondContact O-N 2.93Å
69	C	38.4	Very low	56.5	Low	90 Å²	90	104.9 Å²	104.9	61%	0.608	57%	0.574	S	S	*	*			trans	176.6	107.8	152.8	-96.7	0	0	0	0	110.6
70	E	40.4	Very low	54	Low	202 Å²	202	113.6 Å²	113.6	94%	0.944	60%	0.601	S	S	*	*	S	Bend	trans	-98.1	-23.3	155.5	-69	-171.1	109.3	0	0	111.4	G72	E70-G72 PolarHBondContact O-N 2.84Å
71	D	40.1	Very low	51.5	Low	167 Å²	167	118.1 Å²	118.1	89%	0.893	63%	0.633	S	S	*	*	S	Bend	trans	-93	82.8	168.5	-79.7	-54.5	0	0	0	111.6
72	G	36	Very low	49.2	Very low	55 Å²	55	121.1 Å²	121.1	57%	0.567	66%	0.659	S	S	*	*	S	Bend	trans	-169.3	120.6	172.3	0	0	0	0	0	110.1	E70	E70-G72 PolarHBondContact O-N 2.84Å
73	Q	30.6	Very low	47.2	Very low	189 Å²	189	125.8 Å²	125.8	88%	0.883	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-56	137.4	-171.3	-65.9	176.4	-80.2	0	0	111.7	L75	Q73-L75 PolarHBondContact O-N 2.73Å; Q73-L75 VanDerWaalsContact O-N 3.09Å
74	P	33.8	Very low	45.8	Very low	121 Å²	121	121.7 Å²	121.7	79%	0.786	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-62.6	117.2	172.8	26.3	-33	0	0	0	109.2
75	L	35.2	Very low	44.6	Very low	163 Å²	163	124 Å²	124	85%	0.853	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-52.1	129.9	169.4	-80.8	160.9	0	0	0	108.6	Q73 S77	Q73-L75 PolarHBondContact O-N 2.73Å; Q73-L75 VanDerWaalsContact O-N 3.09Å; L75-S77 PolarHBondContact O-N 2.78Å
76	P	35.3	Very low	44.1	Very low	109 Å²	109	127.2 Å²	127.2	71%	0.708	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-60.6	130.1	-166.7	22	-32.9	0	0	0	111.2	T78	P76-T78 VanDerWaalsContact C-N 3.27Å; P76-T78 PolarHBondContact O-N 3.48Å
77	S	42.6	Very low	44.4	Very low	125 Å²	125	124.4 Å²	124.4	87%	0.874	69%	0.69	S	S	*	*			trans	-73.7	73.4	-172.7	58.2	0	0	0	0	112	L75	L75-S77 PolarHBondContact O-N 2.78Å
78	T	39.1	Very low	45.7	Very low	118 Å²	118	115.7 Å²	115.7	72%	0.724	66%	0.659	S	S	*	*			trans	-141.9	137.2	176.7	-52.4	0	0	0	0	109.9	P76	P76-T78 VanDerWaalsContact C-N 3.27Å; P76-T78 PolarHBondContact O-N 3.48Å
79	Q	36.8	Very low	47.6	Very low	173 Å²	173	113.9 Å²	113.9	81%	0.808	64%	0.636	S	S	*	*			trans	68.5	121.4	-171.7	-52.7	-174.9	1.2	0	0	115.7	S81	Q79-S81 PolarHBondContact O-N 2.92Å
80	R	41.5	Very low	49.9	Very low	259 Å²	259	114.2 Å²	114.2	98%	0.977	63%	0.628	S	S	*	*			trans	-72.2	76.6	153.1	-72.3	179	174.8	173.7	-2.3	107.9
81	S	38.3	Very low	52.2	Low	95 Å²	95	104.7 Å²	104.7	66%	0.664	58%	0.584	S	S	*	*			trans	-61.3	140.5	170.5	-172.7	0	0	0	0	109.3	Q79	Q79-S81 PolarHBondContact O-N 2.92Å
82	A	43.5	Very low	54.7	Low	87 Å²	87	96.8 Å²	96.8	72%	0.719	54%	0.542	S	S	*	.			trans	-62.1	141.8	170.9	0	0	0	0	0	109.4	S84	A82-S84 PolarHBondContact O-N 2.93Å
83	Y	52.9	Low	57.3	Low	100 Å²	100	96.3 Å²	96.3	39%	0.392	53%	0.525	S	S	.	.			trans	-59.1	111.9	175.1	-79.9	-104.3	0	0	0	109.1	H40	H40-Y83 WeakPolarHBondContact NE2-CB 3.42Å; H40-Y83 AromaticContact NE2-CD1 3.41Å; H40-Y83 WeakPolarHBondContact NE2-CD1 3.18Å; H40-Y83 AromaticContact NE2-CG 3.57Å
84	S	58.6	Low	60.2	Low	54 Å²	54	87.5 Å²	87.5	38%	0.378	48%	0.484	S	S	.	.			trans	-73.3	143.9	179.5	58.2	0	0	0	0	110.5	A82 K86 V87	A82-S84 PolarHBondContact O-N 2.93Å; S84-K86 PolarHBondContact O-N 3.29Å; S84-K86 VanDerWaalsContact O-N 3.16Å; S84-V87 PolarHBondContact O-N 2.63Å
85	P	62.4	Low	63.1	Low	91 Å²	91	81.7 Å²	81.7	59%	0.591	45%	0.447	S	S	*	.	H	α-helix	trans	-53.8	-34.6	176	-29	36.3	0	0	0	113.4	V87 N88 T89	P85-V87 VanDerWaalsContact C-N 3.3Å; P85-V87 PolarHBondContact O-N 3.4Å; P85-N88 WeakPolarHBondContact O-CA 3.25Å; P85-N88 WeakPolarHBondContact O-CB 3.42Å; P85-N88 PolarHBondContact O-N 3.17Å; P85-T89 PolarHBondContact O-N 3.25Å; P85-T89 VanDerWaalsContact O-N 3.11Å
86	K	63.7	Low	65.9	Low	105 Å²	105	74 Å²	74	46%	0.457	41%	0.406	S	S	.	.	H	α-helix	trans	-57.8	-35.6	-178.4	-58.2	-165.8	175.4	-113.2	0	113.9	S84 N88 T89 E90 E133	S84-K86 PolarHBondContact O-N 3.29Å; S84-K86 VanDerWaalsContact O-N 3.16Å; K86-N88 VanDerWaalsContact C-N 3.29Å; K86-N88 PolarHBondContact O-N 2.86Å; K86-T89 WeakPolarHBondContact CA-OG1 3.45Å; K86-T89 PolarHBondContact O-N 3.1Å; K86-T89 PolarHBondContact O-OG1 3.13Å; K86-E90 WeakPolarHBondContact O-CG 3.22Å; K86-E90 PolarHBondContact O-N 3.35Å; K86-E133 VanDerWaalsContact NZ-CD 3.34Å; K86-E133 IonicContact NZ-OE1 2.69Å; K86-E133 PolarHBondContact NZ-OE1 2.99Å; K86-E133 IonicContact NZ-OE2 2.87Å; K86-E133 PolarHBondContact NZ-OE2 3.14Å
87	V	70.3	Confident	68.6	Low	47 Å²	47	71.4 Å²	71.4	29%	0.285	39%	0.386	S	S	.	.	H	α-helix	trans	-68.3	-30	175.9	175.5	0	0	0	0	111.8	P45 S84 P85 V91	P45-V87 HydrophobicContact CG-CG1 4.16Å; S84-V87 PolarHBondContact O-N 2.63Å; P85-V87 VanDerWaalsContact C-N 3.3Å; P85-V87 PolarHBondContact O-N 3.4Å; V87-V91 WeakPolarHBondContact O-CG2 3.2Å; V87-V91 PolarHBondContact O-N 2.79Å
88	N	78.3	Confident	71.2	Confident	19 Å²	19	65.7 Å²	65.7	10%	0.102	35%	0.345	C	S	.	.	H	α-helix	trans	-77.4	-38.2	175	-72.6	-32.5	0	0	0	111.7	H40 P85 K86 V91 I92 Y164	H40-N88 PolarHBondContact NE2-ND2 2.62Å; H40-N88 VanDerWaalsContact NE2-ND2 3.14Å; P85-N88 WeakPolarHBondContact O-CA 3.25Å; P85-N88 WeakPolarHBondContact O-CB 3.42Å; P85-N88 PolarHBondContact O-N 3.17Å; K86-N88 VanDerWaalsContact C-N 3.29Å; K86-N88 PolarHBondContact O-N 2.86Å; N88-V91 PolarHBondContact O-N 3.11Å; N88-I92 WeakPolarHBondContact O-CB 3.11Å; N88-I92 WeakPolarHBondContact O-CG1 3.45Å; N88-I92 PolarHBondContact O-N 3.03Å; N88-Y164 HydrophobicContact CB-CE2 4.38Å; N88-Y164 WeakPolarHBondContact OD1-CE2 3.4Å; N88-Y164 PolarHBondContact OD1-OH 2.8Å
89	T	82.9	Confident	73.9	Confident	22 Å²	22	60.2 Å²	60.2	14%	0.135	31%	0.312	C	S	.	.	H	α-helix	trans	-67.1	-42.2	176.4	50.4	0	0	0	0	112	P85 K86 V91 I92 E93	P85-T89 PolarHBondContact O-N 3.25Å; P85-T89 VanDerWaalsContact O-N 3.11Å; K86-T89 WeakPolarHBondContact CA-OG1 3.45Å; K86-T89 PolarHBondContact O-N 3.1Å; K86-T89 PolarHBondContact O-OG1 3.13Å; T89-V91 VanDerWaalsContact C-N 3.28Å; T89-V91 PolarHBondContact O-N 2.96Å; T89-I92 PolarHBondContact O-N 3.08Å; T89-I92 VanDerWaalsContact O-N 3.16Å; T89-E93 WeakPolarHBondContact O-CB 3.32Å; T89-E93 PolarHBondContact O-N 3.38Å
90	E	86	Confident	76.6	Confident	97 Å²	97	55.4 Å²	55.4	45%	0.453	29%	0.287	S	S	.	.	H	α-helix	trans	-56.8	-38.8	172.9	-75.1	172.3	-144.3	0	0	113.1	K86 S94	K86-E90 WeakPolarHBondContact O-CG 3.22Å; K86-E90 PolarHBondContact O-N 3.35Å; E90-S94 WeakPolarHBondContact O-CB 2.85Å; E90-S94 PolarHBondContact O-N 3.4Å; E90-S94 VanDerWaalsContact O-N 3.09Å; E90-S94 PolarHBondContact O-OG 2.77Å
91	V	88.8	Confident	79.1	Confident	3 Å²	3	49.2 Å²	49.2	2%	0.018	27%	0.267	C	S	.	.	H	α-helix	trans	-72.3	-40.3	177.4	172.4	0	0	0	0	111	L36 P45 V87 N88 T89 S94 L95 Y164	L36-V91 HydrophobicContact CD1-CG1 3.85Å; L36-V91 HydrophobicContact CD2-CG1 4.24Å; P45-V91 HydrophobicContact CB-CG2 4.22Å; V87-V91 WeakPolarHBondContact O-CG2 3.2Å; V87-V91 PolarHBondContact O-N 2.79Å; N88-V91 PolarHBondContact O-N 3.11Å; T89-V91 VanDerWaalsContact C-N 3.28Å; T89-V91 PolarHBondContact O-N 2.96Å; V91-S94 WeakPolarHBondContact CA-OG 3.35Å; V91-S94 PolarHBondContact O-N 3.23Å; V91-S94 PolarHBondContact O-OG 2.86Å; V91-L95 WeakPolarHBondContact O-CB 3.49Å; V91-L95 PolarHBondContact O-N 2.91Å; V91-Y164 HydrophobicContact CG1-CE1 4.04Å
92	I	91.2	Very high	81.8	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-63.3	-46.9	176	-74.1	170.7	0	0	0	111.5	N88 T89 S94 L95 G96 M126 Y164 I167	N88-I92 WeakPolarHBondContact O-CB 3.11Å; N88-I92 WeakPolarHBondContact O-CG1 3.45Å; N88-I92 PolarHBondContact O-N 3.03Å; T89-I92 PolarHBondContact O-N 3.08Å; T89-I92 VanDerWaalsContact O-N 3.16Å; I92-S94 VanDerWaalsContact C-N 3.35Å; I92-S94 PolarHBondContact O-N 2.97Å; I92-L95 WeakPolarHBondContact O-CB 3.4Å; I92-L95 PolarHBondContact O-N 2.98Å; I92-G96 PolarHBondContact O-N 3.33Å; I92-M126 HydrophobicContact CG2-CB 3.86Å; I92-M126 HydrophobicContact CG2-CE 4.33Å; I92-M126 HydrophobicContact CG2-CG 3.84Å; I92-M126 WeakPolarHBondContact O-CE 3.49Å; I92-Y164 HydrophobicContact CD1-CD1 4.2Å; I92-Y164 HydrophobicContact CD1-CE1 4.32Å; I92-Y164 HydrophobicContact CG1-CD1 3.94Å; I92-Y164 HydrophobicContact CG1-CE1 3.84Å; I92-I167 HydrophobicContact CB-CD1 4.26Å; I92-I167 HydrophobicContact CD1-CD1 3.9Å; I92-I167 HydrophobicContact CG1-CD1 3.65Å; I92-I167 HydrophobicContact CG2-CD1 3.76Å
93	E	91.1	Very high	84.2	Confident	45 Å²	45	40.5 Å²	40.5	21%	0.21	20%	0.201	C	C	.	.	H	α-helix	trans	-55.4	-49.8	173.7	-179.3	-137	106.1	0	0	110.6	R47 T89 L95 G96 I97 M126	R47-E93 IonicContact CZ-OE1 3.17Å; R47-E93 IonicContact NE-OE1 2.79Å; R47-E93 IonicContact NH2-OE1 2.65Å; R47-E93 PolarHBondContact NH2-OE1 2.73Å; T89-E93 WeakPolarHBondContact O-CB 3.32Å; T89-E93 PolarHBondContact O-N 3.38Å; E93-L95 VanDerWaalsContact C-N 3.3Å; E93-L95 PolarHBondContact O-N 2.99Å; E93-G96 PolarHBondContact O-N 2.91Å; E93-G96 VanDerWaalsContact O-N 3.13Å; E93-I97 HydrophobicContact CG-CD1 3.96Å; E93-I97 WeakPolarHBondContact O-CG1 3.24Å; E93-I97 PolarHBondContact O-N 2.97Å; E93-I97 WeakPolarHBondContact OE1-CD1 3.26Å; E93-M126 VanDerWaalsContact CA-O 3.25Å; E93-M126 WeakPolarHBondContact CA-O 3.38Å
94	S	92.3	Very high	86.1	Confident	4 Å²	4	37.2 Å²	37.2	3%	0.028	19%	0.19	C	C	.	.	H	α-helix	trans	-64.6	-31.6	178.9	74	0	0	0	0	113.8	I48 E90 V91 I92 M98	I48-S94 PolarHBondContact N-OG 3.48Å; I48-S94 WeakPolarHBondContact O-CB 3.31Å; E90-S94 WeakPolarHBondContact O-CB 2.85Å; E90-S94 PolarHBondContact O-N 3.4Å; E90-S94 VanDerWaalsContact O-N 3.09Å; E90-S94 PolarHBondContact O-OG 2.77Å; V91-S94 WeakPolarHBondContact CA-OG 3.35Å; V91-S94 PolarHBondContact O-N 3.23Å; V91-S94 PolarHBondContact O-OG 2.86Å; I92-S94 VanDerWaalsContact C-N 3.35Å; I92-S94 PolarHBondContact O-N 2.97Å; S94-M98 VanDerWaalsContact O-CB 3.22Å; S94-M98 WeakPolarHBondContact O-CB 3.39Å; S94-M98 PolarHBondContact O-N 3.39Å; S94-M98 VanDerWaalsContact O-N 3.11Å
95	L	93.6	Very high	87.6	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-68.5	-43.6	172.2	-177.7	62.5	0	0	0	111	C32 C33 I48 V91 I92 E93 M98 I99 M126	C32-L95 HydrophobicContact CB-CD1 3.77Å; C32-L95 HydrophobicContact CB-CD2 3.88Å; C33-L95 VanDerWaalsContact SG-CD2 3.56Å; I48-L95 HydrophobicContact CD1-CB 3.89Å; I48-L95 HydrophobicContact CD1-CD1 3.68Å; I48-L95 HydrophobicContact CD1-CG 4.35Å; V91-L95 WeakPolarHBondContact O-CB 3.49Å; V91-L95 PolarHBondContact O-N 2.91Å; I92-L95 WeakPolarHBondContact O-CB 3.4Å; I92-L95 PolarHBondContact O-N 2.98Å; E93-L95 VanDerWaalsContact C-N 3.3Å; E93-L95 PolarHBondContact O-N 2.99Å; L95-M98 HydrophobicContact CD1-CE 3.69Å; L95-M98 PolarHBondContact O-N 2.81Å; L95-I99 HydrophobicContact CD1-CG1 4.37Å; L95-I99 WeakPolarHBondContact O-CG1 3.37Å; L95-I99 PolarHBondContact O-N 3.14Å; L95-M126 HydrophobicContact CB-CE 3.83Å; L95-M126 HydrophobicContact CD2-CE 3.8Å; L95-M126 HydrophobicContact CG-CE 3.74Å
96	G	94	Very high	88.7	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-61.4	-50.1	178.3	0	0	0	0	0	111.9	I92 E93 M98 I99 Y100	I92-G96 PolarHBondContact O-N 3.33Å; E93-G96 PolarHBondContact O-N 2.91Å; E93-G96 VanDerWaalsContact O-N 3.13Å; G96-M98 VanDerWaalsContact C-N 3.25Å; G96-M98 PolarHBondContact O-N 2.9Å; G96-I99 PolarHBondContact O-N 3.24Å; G96-Y100 WeakPolarHBondContact O-CB 3.45Å; G96-Y100 PolarHBondContact O-N 3.16Å
97	I	93.6	Very high	89.7	Confident	56 Å²	56	35.5 Å²	35.5	29%	0.287	19%	0.19	S	C	.	.	H	α-helix	trans	-57.2	-39	174.9	-66.3	169.1	0	0	0	111.4	E93 K101 T127	E93-I97 HydrophobicContact CG-CD1 3.96Å; E93-I97 WeakPolarHBondContact O-CG1 3.24Å; E93-I97 PolarHBondContact O-N 2.97Å; E93-I97 WeakPolarHBondContact OE1-CD1 3.26Å; I97-K101 HydrophobicContact CG2-CD 3.98Å; I97-K101 WeakPolarHBondContact O-CB 3.39Å; I97-K101 VanDerWaalsContact O-CG 3.26Å; I97-K101 WeakPolarHBondContact O-CG 3.38Å; I97-K101 PolarHBondContact O-N 3.11Å; I97-T127 HydrophobicContact CG1-CG2 3.91Å
98	M	95.6	Very high	90.3	Very high	4 Å²	4	39 Å²	39	2%	0.02	20%	0.201	C	C	.	.	H	α-helix	trans	-71	-42.8	179.4	-174	-72.5	-50.4	0	0	112	L9 I48 P51 V54 S94 L95 G96 K101 A102	L9-M98 HydrophobicContact CD2-CE 4.4Å; L9-M98 HydrophobicContact CD2-SD 3.7Å; I48-M98 HydrophobicContact CG2-CB 4.16Å; I48-M98 HydrophobicContact CG2-CG 3.94Å; P51-M98 HydrophobicContact CB-CG 4.47Å; P51-M98 HydrophobicContact CB-SD 4.01Å; V54-M98 HydrophobicContact CG2-CE 3.74Å; V54-M98 HydrophobicContact CG2-SD 4Å; S94-M98 VanDerWaalsContact O-CB 3.22Å; S94-M98 WeakPolarHBondContact O-CB 3.39Å; S94-M98 PolarHBondContact O-N 3.39Å; S94-M98 VanDerWaalsContact O-N 3.11Å; L95-M98 HydrophobicContact CD1-CE 3.69Å; L95-M98 PolarHBondContact O-N 2.81Å; G96-M98 VanDerWaalsContact C-N 3.25Å; G96-M98 PolarHBondContact O-N 2.9Å; M98-K101 PolarHBondContact O-N 3.45Å; M98-A102 PolarHBondContact O-N 2.85Å
99	I	96.3	Very high	90.5	Very high	4 Å²	4	48.4 Å²	48.4	2%	0.021	24%	0.244	C	C	.	.	H	α-helix	trans	-62.1	-46.5	175	-69.2	-65.1	0	0	0	110.8	A25 V28 C29 L95 G96 K101 A102 L103 I123	A25-I99 HydrophobicContact CB-CG2 3.8Å; V28-I99 HydrophobicContact CB-CD1 4.07Å; V28-I99 HydrophobicContact CG1-CD1 3.83Å; C29-I99 HydrophobicContact CB-CD1 4.3Å; C29-I99 HydrophobicContact CB-CG1 4.31Å; L95-I99 HydrophobicContact CD1-CG1 4.37Å; L95-I99 WeakPolarHBondContact O-CG1 3.37Å; L95-I99 PolarHBondContact O-N 3.14Å; G96-I99 PolarHBondContact O-N 3.24Å; I99-K101 PolarHBondContact O-N 3.28Å; I99-A102 WeakPolarHBondContact O-CB 3.45Å; I99-A102 PolarHBondContact O-N 3.47Å; I99-A102 VanDerWaalsContact O-N 3.08Å; I99-L103 HydrophobicContact CG2-CD1 3.97Å; I99-L103 PolarHBondContact O-N 3.2Å; I99-I123 HydrophobicContact CG2-CD1 4.37Å
100	Y	94.6	Very high	90.4	Very high	72 Å²	72	53.3 Å²	53.3	28%	0.282	27%	0.27	S	S	.	.	H	α-helix	trans	-57	-49.5	176.2	-177.6	-84.5	0	0	0	111.3	G96 A102 L103 D104 I123	G96-Y100 WeakPolarHBondContact O-CB 3.45Å; G96-Y100 PolarHBondContact O-N 3.16Å; Y100-A102 PolarHBondContact O-N 3.5Å; Y100-L103 WeakPolarHBondContact O-CA 3.24Å; Y100-L103 WeakPolarHBondContact O-CB 3.31Å; Y100-L103 PolarHBondContact O-N 3.03Å; Y100-D104 HydrophobicContact CE1-CB 4.38Å; Y100-D104 WeakPolarHBondContact CE1-OD2 3.35Å; Y100-D104 PolarHBondContact O-N 3.37Å; Y100-D104 PolarHBondContact OH-OD2 3Å; Y100-I123 HydrophobicContact CD2-CD1 4.5Å; Y100-I123 HydrophobicContact CD2-CG2 4.15Å
101	K	92.8	Very high	90.3	Very high	128 Å²	128	52.3 Å²	52.3	56%	0.557	27%	0.265	S	S	*	.	H	α-helix	trans	-62.4	-23.1	176.2	-73.9	171.7	-179.2	173.5	0	114.2	I97 M98 I99 F105	I97-K101 HydrophobicContact CG2-CD 3.98Å; I97-K101 WeakPolarHBondContact O-CB 3.39Å; I97-K101 VanDerWaalsContact O-CG 3.26Å; I97-K101 WeakPolarHBondContact O-CG 3.38Å; I97-K101 PolarHBondContact O-N 3.11Å; M98-K101 PolarHBondContact O-N 3.45Å; I99-K101 PolarHBondContact O-N 3.28Å; K101-F105 PolarHBondContact O-N 3.38Å
102	A	95.2	Very high	89.8	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-81.9	-26.8	172.9	0	0	0	0	0	112.9	L9 L13 P19 I20 M98 I99 Y100	L9-A102 HydrophobicContact CD2-CB 4.15Å; L13-A102 HydrophobicContact CD1-CB 3.96Å; L13-A102 HydrophobicContact CD2-CB 4.41Å; P19-A102 VanDerWaalsContact CA-O 3.32Å; P19-A102 WeakPolarHBondContact CA-O 3.31Å; P19-A102 WeakPolarHBondContact CB-O 3.4Å; I20-A102 HydrophobicContact CD1-CB 3.75Å; I20-A102 HydrophobicContact CG1-CB 4.02Å; I20-A102 PolarHBondContact N-O 3.02Å; I20-A102 VanDerWaalsContact N-O 3.08Å; M98-A102 PolarHBondContact O-N 2.85Å; I99-A102 WeakPolarHBondContact O-CB 3.45Å; I99-A102 PolarHBondContact O-N 3.47Å; I99-A102 VanDerWaalsContact O-N 3.08Å; Y100-A102 PolarHBondContact O-N 3.5Å
103	L	94.2	Very high	89.6	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-77.3	-31.3	173.5	-73.3	162.3	0	0	0	112.5	P19 I20 A25 I99 Y100 R113 L115 L119 I123	P19-L103 WeakPolarHBondContact CB-O 3.29Å; I20-L103 HydrophobicContact CG1-CD2 4.1Å; I20-L103 HydrophobicContact CG1-CG 4.28Å; A25-L103 HydrophobicContact CB-CD1 3.97Å; A25-L103 HydrophobicContact CB-CD2 3.9Å; A25-L103 HydrophobicContact CB-CG 4.09Å; I99-L103 HydrophobicContact CG2-CD1 3.97Å; I99-L103 PolarHBondContact O-N 3.2Å; Y100-L103 WeakPolarHBondContact O-CA 3.24Å; Y100-L103 WeakPolarHBondContact O-CB 3.31Å; Y100-L103 PolarHBondContact O-N 3.03Å; L103-R113 VanDerWaalsContact O-CD 3.24Å; L103-R113 WeakPolarHBondContact O-CD 3.49Å; L103-R113 PolarHBondContact O-NH1 3.19Å; L103-L115 HydrophobicContact CD1-CD1 4.27Å; L103-L115 HydrophobicContact CD1-CD2 4.11Å; L103-L115 HydrophobicContact CD2-CD2 4.26Å; L103-L119 HydrophobicContact CD1-CD2 4.09Å; L103-I123 HydrophobicContact CD1-CD1 3.74Å
104	D	92.1	Very high	89.4	Confident	30 Å²	30	69.7 Å²	69.7	16%	0.16	34%	0.343	C	S	.	.	S	Bend	trans	-95.7	2.2	178.3	-83.4	9.6	0	0	0	114.2	Y100 G106 L107 R113	Y100-D104 HydrophobicContact CE1-CB 4.38Å; Y100-D104 WeakPolarHBondContact CE1-OD2 3.35Å; Y100-D104 PolarHBondContact O-N 3.37Å; Y100-D104 PolarHBondContact OH-OD2 3Å; D104-G106 PolarHBondContact O-N 2.96Å; D104-L107 HydrophobicContact CB-CD1 4.27Å; D104-L107 WeakPolarHBondContact O-CB 3.43Å; D104-L107 PolarHBondContact O-N 3.35Å; D104-R113 VanDerWaalsContact OD1-CB 3.25Å; D104-R113 WeakPolarHBondContact OD1-CB 3.3Å
105	F	91.8	Very high	89.2	Confident	68 Å²	68	71 Å²	71	30%	0.298	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	111.9	-174.9	-177.5	-91.5	0	0	0	112.8	L13 P19 K101	L13-F105 HydrophobicContact CB-CD1 3.94Å; L13-F105 HydrophobicContact CB-CD2 4.01Å; L13-F105 HydrophobicContact CB-CE1 3.94Å; L13-F105 HydrophobicContact CB-CE2 4.01Å; L13-F105 HydrophobicContact CB-CG 3.98Å; L13-F105 HydrophobicContact CB-CZ 3.98Å; L13-F105 HydrophobicContact CD1-CB 4.39Å; L13-F105 HydrophobicContact CD1-CD2 4.05Å; L13-F105 HydrophobicContact CD1-CG 4.22Å; L13-F105 HydrophobicContact CD2-CB 3.86Å; L13-F105 HydrophobicContact CD2-CD1 4.15Å; L13-F105 HydrophobicContact CD2-CG 3.94Å; L13-F105 HydrophobicContact CG-CD2 4.44Å; L13-F105 HydrophobicContact CG-CG 4.27Å; L13-F105 WeakPolarHBondContact O-CE1 3.27Å; P19-F105 HydrophobicContact CB-CB 4.19Å; P19-F105 WeakPolarHBondContact CD-O 3.42Å; K101-F105 PolarHBondContact O-N 3.38Å
106	G	84.8	Confident	89	Confident	71 Å²	71	72.7 Å²	72.7	73%	0.732	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.2	1.3	179.1	0	0	0	0	0	115.4	D104	D104-G106 PolarHBondContact O-N 2.96Å
107	L	85.1	Confident	88.9	Confident	75 Å²	75	76.2 Å²	76.2	39%	0.393	39%	0.385	S	S	.	.			trans	-76.4	170.4	166.1	-58.8	-178.1	0	0	0	111.5	D104 E111 R113	D104-L107 HydrophobicContact CB-CD1 4.27Å; D104-L107 WeakPolarHBondContact O-CB 3.43Å; D104-L107 PolarHBondContact O-N 3.35Å; L107-E111 HydrophobicContact CB-CB 4.42Å; L107-E111 WeakPolarHBondContact CB-O 3.48Å; L107-E111 WeakPolarHBondContact CD1-O 3.47Å; L107-R113 HydrophobicContact CD1-CB 3.98Å
108	K	81.8	Confident	88.8	Confident	120 Å²	120	76.8 Å²	76.8	52%	0.522	39%	0.392	S	S	.	.			trans	-94.7	160.2	172.4	-59.7	-179.2	-156.3	71.9	0	110.2	N110 E111	K108-N110 WeakPolarHBondContact CB-OD1 3.42Å; K108-N110 PolarHBondContact O-N 2.87Å; K108-E111 HydrophobicContact CB-CB 4.31Å; K108-E111 HydrophobicContact CB-CG 4.29Å; K108-E111 WeakPolarHBondContact CG-OE2 3.38Å; K108-E111 IonicContact NZ-OE1 3.59Å; K108-E111 PolarHBondContact NZ-OE1 2.99Å; K108-E111 IonicContact NZ-OE2 3.77Å; K108-E111 PolarHBondContact NZ-OE2 2.99Å; K108-E111 PolarHBondContact O-N 3.31Å
109	E	82.5	Confident	88.7	Confident	217 Å²	217	76.7 Å²	76.7	100%	1.014	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-13	173.6	-60.3	172.4	177.1	0	0	114.5
110	N	81.9	Confident	88.5	Confident	125 Å²	125	81.2 Å²	81.2	67%	0.668	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.2	9.3	177.2	76.9	-92.2	0	0	0	113.8	K108	K108-N110 WeakPolarHBondContact CB-OD1 3.42Å; K108-N110 PolarHBondContact O-N 2.87Å
111	E	82.6	Confident	88.4	Confident	77 Å²	77	83.5 Å²	83.5	36%	0.36	43%	0.426	S	S	.	.			trans	-130.2	99.8	-174.8	-72.2	169.8	-179.3	0	0	109	L107 K108	L107-E111 HydrophobicContact CB-CB 4.42Å; L107-E111 WeakPolarHBondContact CB-O 3.48Å; L107-E111 WeakPolarHBondContact CD1-O 3.47Å; K108-E111 HydrophobicContact CB-CB 4.31Å; K108-E111 HydrophobicContact CB-CG 4.29Å; K108-E111 WeakPolarHBondContact CG-OE2 3.38Å; K108-E111 IonicContact NZ-OE1 3.59Å; K108-E111 PolarHBondContact NZ-OE1 2.99Å; K108-E111 IonicContact NZ-OE2 3.77Å; K108-E111 PolarHBondContact NZ-OE2 2.99Å; K108-E111 PolarHBondContact O-N 3.31Å
112	E	79.6	Confident	88.5	Confident	160 Å²	160	77.6 Å²	77.6	75%	0.748	40%	0.401	S	S	*	.			trans	-93.8	156.3	177.8	-174.5	168.3	-147.8	0	0	111.1
113	R	85.7	Confident	88.4	Confident	61 Å²	61	78.1 Å²	78.1	23%	0.23	40%	0.403	C	S	.	.			trans	-96.6	122	-180	-178.6	172.2	169.7	170.4	-9.2	111.7	I20 L103 D104 L107 L115	I20-R113 PolarHBondContact O-NH1 2.9Å; I20-R113 PolarHBondContact O-NH2 2.89Å; L103-R113 VanDerWaalsContact O-CD 3.24Å; L103-R113 WeakPolarHBondContact O-CD 3.49Å; L103-R113 PolarHBondContact O-NH1 3.19Å; D104-R113 VanDerWaalsContact OD1-CB 3.25Å; D104-R113 WeakPolarHBondContact OD1-CB 3.3Å; L107-R113 HydrophobicContact CD1-CB 3.98Å; R113-L115 HydrophobicContact CG-CD2 3.92Å; R113-L115 PolarHBondContact O-N 2.81Å; R113-L115 VanDerWaalsContact O-N 3.12Å
114	E	86.7	Confident	88.2	Confident	191 Å²	191	81.8 Å²	81.8	89%	0.893	42%	0.423	S	S	*	.			trans	-60.6	113.9	163	-65	177.2	-176	0	0	109.3
115	L	89.7	Confident	88.2	Confident	32 Å²	32	82.6 Å²	82.6	17%	0.168	43%	0.427	C	S	.	.			trans	-101.3	164	174.2	-62.9	179.5	0	0	0	110.6	L103 R113 L119 E120 I123	L103-L115 HydrophobicContact CD1-CD1 4.27Å; L103-L115 HydrophobicContact CD1-CD2 4.11Å; L103-L115 HydrophobicContact CD2-CD2 4.26Å; R113-L115 HydrophobicContact CG-CD2 3.92Å; R113-L115 PolarHBondContact O-N 2.81Å; R113-L115 VanDerWaalsContact O-N 3.12Å; L115-L119 HydrophobicContact CD2-CD2 4.34Å; L115-E120 HydrophobicContact CB-CB 4.49Å; L115-I123 HydrophobicContact CD1-CD1 3.93Å
116	S	89.4	Confident	88.1	Confident	35 Å²	35	79.5 Å²	79.5	25%	0.245	41%	0.413	C	S	.	.			trans	-68.9	138.2	165.1	67.9	0	0	0	0	111.4	E22 P118 L119 E120	E22-S116 PolarHBondContact OE1-N 3.49Å; E22-S116 VanDerWaalsContact OE1-N 3.16Å; E22-S116 WeakPolarHBondContact OE2-CB 3.45Å; E22-S116 PolarHBondContact OE2-N 2.69Å; E22-S116 PolarHBondContact OE2-OG 3.42Å; S116-P118 VanDerWaalsContact C-N 3.32Å; S116-P118 VanDerWaalsContact O-N 3.14Å; S116-L119 PolarHBondContact O-N 2.88Å; S116-E120 PolarHBondContact O-N 3.02Å; S116-E120 VanDerWaalsContact O-N 3.08Å
117	P	91.1	Very high	88.4	Confident	74 Å²	74	77.8 Å²	77.8	48%	0.481	39%	0.389	S	S	.	.	H	α-helix	trans	-53.8	-33.3	-177.3	-29.1	35	0	0	0	116.3	L119 Q121	P117-L119 VanDerWaalsContact C-N 3.32Å; P117-L119 PolarHBondContact O-N 3.45Å; P117-Q121 VanDerWaalsContact O-CB 3.32Å; P117-Q121 WeakPolarHBondContact O-CB 3.42Å; P117-Q121 WeakPolarHBondContact O-CG 3.38Å; P117-Q121 PolarHBondContact O-N 3.41Å
118	P	91.5	Very high	88	Confident	69 Å²	69	78 Å²	78	45%	0.448	39%	0.391	S	S	.	.	H	α-helix	trans	-67.5	-29	174.8	-21.9	35.1	0	0	0	114	W26 S116 L122	W26-P118 HydrophobicContact CH2-CB 4.46Å; W26-P118 WeakPolarHBondContact CH2-O 3.44Å; W26-P118 HydrophobicContact CZ2-CB 4.13Å; S116-P118 VanDerWaalsContact C-N 3.32Å; S116-P118 VanDerWaalsContact O-N 3.14Å; P118-L122 PolarHBondContact O-N 3.27Å
119	L	93.6	Very high	87.1	Confident	2 Å²	2	73.1 Å²	73.1	1%	0.01	37%	0.371	C	S	.	.	H	α-helix	trans	-82.5	-40.5	178.5	178.3	59.5	0	0	0	111.3	E22 A25 W26 L103 L115 S116 P117 L122 I123	E22-L119 HydrophobicContact CB-CD2 3.69Å; E22-L119 HydrophobicContact CG-CD2 3.58Å; A25-L119 HydrophobicContact CB-CD2 4.42Å; W26-L119 HydrophobicContact CD2-CD1 4.2Å; W26-L119 HydrophobicContact CZ2-CB 3.78Å; W26-L119 HydrophobicContact CZ2-CD1 4.16Å; L103-L119 HydrophobicContact CD1-CD2 4.09Å; L115-L119 HydrophobicContact CD2-CD2 4.34Å; S116-L119 PolarHBondContact O-N 2.88Å; P117-L119 VanDerWaalsContact C-N 3.32Å; P117-L119 PolarHBondContact O-N 3.45Å; L119-L122 PolarHBondContact O-N 2.96Å; L119-I123 HydrophobicContact CD1-CD1 4.22Å; L119-I123 HydrophobicContact CD1-CG1 4.44Å; L119-I123 HydrophobicContact CG-CD1 4.19Å; L119-I123 WeakPolarHBondContact O-CG1 3.22Å; L119-I123 PolarHBondContact O-N 3.36Å
120	E	92.6	Very high	85.7	Confident	99 Å²	99	65.9 Å²	65.9	46%	0.463	35%	0.349	S	S	.	.	H	α-helix	trans	-52.4	-54.5	168.8	-173.9	-179.9	-157.8	0	0	110.2	L115 S116 L122 I123 D124	L115-E120 HydrophobicContact CB-CB 4.49Å; S116-E120 PolarHBondContact O-N 3.02Å; S116-E120 VanDerWaalsContact O-N 3.08Å; E120-L122 VanDerWaalsContact C-N 3.33Å; E120-L122 PolarHBondContact O-N 3.44Å; E120-I123 PolarHBondContact O-N 3.06Å; E120-D124 PolarHBondContact O-N 3.32Å
121	Q	91.4	Very high	84.2	Confident	119 Å²	119	66.2 Å²	66.2	56%	0.556	35%	0.346	S	S	*	.	H	α-helix	trans	-59.4	-36	176.4	-72.9	166.7	21.4	0	0	113.9	P117 L125	P117-Q121 VanDerWaalsContact O-CB 3.32Å; P117-Q121 WeakPolarHBondContact O-CB 3.42Å; P117-Q121 WeakPolarHBondContact O-CG 3.38Å; P117-Q121 PolarHBondContact O-N 3.41Å; Q121-L125 WeakPolarHBondContact O-CB 3.41Å; Q121-L125 WeakPolarHBondContact O-CD1 3.4Å; Q121-L125 WeakPolarHBondContact O-CG 3.39Å; Q121-L125 PolarHBondContact O-N 3.38Å; Q121-L125 VanDerWaalsContact O-N 3.08Å
122	L	94.2	Very high	82.7	Confident	5 Å²	5	65 Å²	65	3%	0.026	35%	0.349	C	S	.	.	H	α-helix	trans	-64.5	-46.5	173.8	172.8	64	0	0	0	110.9	W26 P118 L119 E120 L125 M126 I167 L170	W26-L122 HydrophobicContact CE3-CD2 3.78Å; W26-L122 HydrophobicContact CH2-CB 4.1Å; W26-L122 HydrophobicContact CH2-CD2 4.06Å; W26-L122 HydrophobicContact CZ3-CB 4.29Å; W26-L122 HydrophobicContact CZ3-CD2 3.44Å; W26-L122 VanDerWaalsContact CZ3-CD2 3.44Å; W26-L122 HydrophobicContact CZ3-CG 4.39Å; P118-L122 PolarHBondContact O-N 3.27Å; L119-L122 PolarHBondContact O-N 2.96Å; E120-L122 VanDerWaalsContact C-N 3.33Å; E120-L122 PolarHBondContact O-N 3.44Å; L122-L125 PolarHBondContact O-N 2.66Å; L122-M126 HydrophobicContact CD1-CG 4.11Å; L122-M126 HydrophobicContact CD1-SD 3.72Å; L122-M126 HydrophobicContact CD2-SD 4.36Å; L122-M126 HydrophobicContact CG-SD 3.84Å; L122-M126 VanDerWaalsContact O-CG 3.25Å; L122-M126 WeakPolarHBondContact O-CG 3.3Å; L122-M126 PolarHBondContact O-N 3.27Å; L122-I167 HydrophobicContact CD1-CG2 4.23Å; L122-L170 HydrophobicContact CD1-CB 4.15Å; L122-L170 HydrophobicContact CD1-CD1 3.76Å
123	I	93.8	Very high	81.3	Confident	10 Å²	10	62.3 Å²	62.3	5%	0.051	34%	0.337	C	S	.	.	H	α-helix	trans	-64.3	-47.6	-177.6	-67.9	168.4	0	0	0	109.7	I99 Y100 L103 L115 L119 E120 L125 M126 T127	I99-I123 HydrophobicContact CG2-CD1 4.37Å; Y100-I123 HydrophobicContact CD2-CD1 4.5Å; Y100-I123 HydrophobicContact CD2-CG2 4.15Å; L103-I123 HydrophobicContact CD1-CD1 3.74Å; L115-I123 HydrophobicContact CD1-CD1 3.93Å; L119-I123 HydrophobicContact CD1-CD1 4.22Å; L119-I123 HydrophobicContact CD1-CG1 4.44Å; L119-I123 HydrophobicContact CG-CD1 4.19Å; L119-I123 WeakPolarHBondContact O-CG1 3.22Å; L119-I123 PolarHBondContact O-N 3.36Å; E120-I123 PolarHBondContact O-N 3.06Å; I123-L125 VanDerWaalsContact C-N 3.35Å; I123-L125 PolarHBondContact O-N 3.32Å; I123-M126 WeakPolarHBondContact O-CA 3.35Å; I123-M126 WeakPolarHBondContact O-CB 3.41Å; I123-M126 PolarHBondContact O-N 3.33Å; I123-T127 HydrophobicContact CG2-CG2 4.3Å; I123-T127 PolarHBondContact O-N 3.41Å; I123-T127 PolarHBondContact O-OG1 3.3Å
124	D	91.1	Very high	79.6	Confident	77 Å²	77	66.5 Å²	66.5	41%	0.412	36%	0.356	S	S	.	.	H	α-helix	trans	-55.6	-46.3	175.5	-80.2	-30.2	0	0	0	112.7	E120 M126 T127 N128	E120-D124 PolarHBondContact O-N 3.32Å; D124-M126 PolarHBondContact O-N 3.3Å; D124-T127 PolarHBondContact O-N 2.86Å; D124-T127 PolarHBondContact O-OG1 3.24Å; D124-N128 VanDerWaalsContact O-CB 3.27Å; D124-N128 WeakPolarHBondContact O-CB 3.5Å; D124-N128 PolarHBondContact O-N 3.22Å; D124-N128 PolarHBondContact O-ND2 3.08Å; D124-N128 PolarHBondContact OD1-ND2 3.42Å
125	L	90.8	Very high	77.7	Confident	48 Å²	48	65.3 Å²	65.3	25%	0.251	35%	0.351	S	S	.	.	H	α-helix	trans	-66.1	-25.7	178.3	-74.9	171.6	0	0	0	113	Q121 L122 I123 I158 V161 L170	Q121-L125 WeakPolarHBondContact O-CB 3.41Å; Q121-L125 WeakPolarHBondContact O-CD1 3.4Å; Q121-L125 WeakPolarHBondContact O-CG 3.39Å; Q121-L125 PolarHBondContact O-N 3.38Å; Q121-L125 VanDerWaalsContact O-N 3.08Å; L122-L125 PolarHBondContact O-N 2.66Å; I123-L125 VanDerWaalsContact C-N 3.35Å; I123-L125 PolarHBondContact O-N 3.32Å; L125-I158 HydrophobicContact CD1-CG2 4.12Å; L125-I158 HydrophobicContact CD2-CG2 3.78Å; L125-V161 HydrophobicContact CB-CB 4.41Å; L125-V161 HydrophobicContact CB-CG2 3.73Å; L125-V161 HydrophobicContact CD1-CG2 4.2Å; L125-V161 HydrophobicContact CG-CG2 4.38Å; L125-L170 HydrophobicContact CD1-CD1 4.25Å
126	M	91	Very high	75.8	Confident	2 Å²	2	67.9 Å²	67.9	1%	0.01	38%	0.377	C	S	.	.	H	α-helix	trans	-80.4	-38.9	174	-68.7	175.4	62.1	0	0	111.9	I92 E93 L95 L122 I123 D124 I167	I92-M126 HydrophobicContact CG2-CB 3.86Å; I92-M126 HydrophobicContact CG2-CE 4.33Å; I92-M126 HydrophobicContact CG2-CG 3.84Å; I92-M126 WeakPolarHBondContact O-CE 3.49Å; E93-M126 VanDerWaalsContact CA-O 3.25Å; E93-M126 WeakPolarHBondContact CA-O 3.38Å; L95-M126 HydrophobicContact CB-CE 3.83Å; L95-M126 HydrophobicContact CD2-CE 3.8Å; L95-M126 HydrophobicContact CG-CE 3.74Å; L122-M126 HydrophobicContact CD1-CG 4.11Å; L122-M126 HydrophobicContact CD1-SD 3.72Å; L122-M126 HydrophobicContact CD2-SD 4.36Å; L122-M126 HydrophobicContact CG-SD 3.84Å; L122-M126 VanDerWaalsContact O-CG 3.25Å; L122-M126 WeakPolarHBondContact O-CG 3.3Å; L122-M126 PolarHBondContact O-N 3.27Å; I123-M126 WeakPolarHBondContact O-CA 3.35Å; I123-M126 WeakPolarHBondContact O-CB 3.41Å; I123-M126 PolarHBondContact O-N 3.33Å; D124-M126 PolarHBondContact O-N 3.3Å; M126-I167 HydrophobicContact CE-CD1 3.94Å; M126-I167 HydrophobicContact CG-CD1 4.17Å; M126-I167 HydrophobicContact CG-CG1 4.32Å; M126-I167 HydrophobicContact SD-CD1 4.12Å; M126-I167 HydrophobicContact SD-CG1 4.34Å; M126-I167 HydrophobicContact SD-CG2 4.34Å
127	T	89.6	Confident	73.7	Confident	35 Å²	35	71 Å²	71	22%	0.215	40%	0.398	C	S	.	.	H	α-helix	trans	-87.3	-33.6	-175.2	56.9	0	0	0	0	114.5	I97 I123 D124 S129	I97-T127 HydrophobicContact CG1-CG2 3.91Å; I123-T127 HydrophobicContact CG2-CG2 4.3Å; I123-T127 PolarHBondContact O-N 3.41Å; I123-T127 PolarHBondContact O-OG1 3.3Å; D124-T127 PolarHBondContact O-N 2.86Å; D124-T127 PolarHBondContact O-OG1 3.24Å; T127-S129 VanDerWaalsContact C-N 3.34Å; T127-S129 PolarHBondContact O-N 3.16Å
128	N	76.9	Confident	71.6	Confident	81 Å²	81	75.1 Å²	75.1	43%	0.433	41%	0.414	S	S	.	.			trans	-94.1	13.3	-170.5	-55	-30.9	0	0	0	113.4	D124 A130 E131	D124-N128 VanDerWaalsContact O-CB 3.27Å; D124-N128 WeakPolarHBondContact O-CB 3.5Å; D124-N128 PolarHBondContact O-N 3.22Å; D124-N128 PolarHBondContact O-ND2 3.08Å; D124-N128 PolarHBondContact OD1-ND2 3.42Å; N128-A130 PolarHBondContact O-N 3.21Å; N128-E131 PolarHBondContact O-N 3.38Å; N128-E131 VanDerWaalsContact O-N 3.16Å
129	S	63.3	Low	69.5	Low	17 Å²	17	78.8 Å²	78.8	12%	0.119	43%	0.43	C	S	.	.	H	α-helix	trans	-58.6	-21.2	-175.7	62.4	0	0	0	0	115.1	T127 E131	T127-S129 VanDerWaalsContact C-N 3.34Å; T127-S129 PolarHBondContact O-N 3.16Å; S129-E131 PolarHBondContact O-N 3.41Å
130	A	52.7	Low	67.8	Low	65 Å²	65	88.5 Å²	88.5	54%	0.537	48%	0.476	S	S	.	.	H	α-helix	trans	-76.1	-14.7	179.7	0	0	0	0	0	114.9	N128	N128-A130 PolarHBondContact O-N 3.21Å
131	E	51	Low	65.8	Low	131 Å²	131	86.3 Å²	86.3	61%	0.612	48%	0.48	S	S	*	.	H	α-helix	trans	-86.2	-32.6	179.3	-55.5	-149.9	123.8	0	0	112	N128 S129 E133 K134	N128-E131 PolarHBondContact O-N 3.38Å; N128-E131 VanDerWaalsContact O-N 3.16Å; S129-E131 PolarHBondContact O-N 3.41Å; E131-E133 VanDerWaalsContact C-N 3.28Å; E131-E133 PolarHBondContact O-N 3.25Å; E131-K134 WeakPolarHBondContact O-CB 3.27Å; E131-K134 PolarHBondContact O-N 3.11Å
132	A	51.7	Low	63.2	Low	51 Å²	51	91.7 Å²	91.7	42%	0.421	50%	0.497	S	S	.	.	H	α-helix	trans	-61.6	-30.1	176.4	0	0	0	0	0	113.7	K134 A136	A132-K134 PolarHBondContact O-N 3.09Å; A132-A136 PolarHBondContact O-N 3.06Å
133	E	49.8	Very low	61.1	Low	105 Å²	105	100.3 Å²	100.3	49%	0.491	54%	0.537	S	S	.	.	H	α-helix	trans	-66.8	-17.6	173.2	-75.4	-162.9	168	0	0	113.1	K86 E131	K86-E133 VanDerWaalsContact NZ-CD 3.34Å; K86-E133 IonicContact NZ-OE1 2.69Å; K86-E133 PolarHBondContact NZ-OE1 2.99Å; K86-E133 IonicContact NZ-OE2 2.87Å; K86-E133 PolarHBondContact NZ-OE2 3.14Å; E131-E133 VanDerWaalsContact C-N 3.28Å; E131-E133 PolarHBondContact O-N 3.25Å
134	K	49	Very low	58.8	Low	148 Å²	148	104 Å²	104	64%	0.643	57%	0.568	S	S	*	*	H	α-helix	trans	-87.5	-40.7	178.5	-67.5	176.7	-176.1	162.5	0	113.2	E131 A132 A136	E131-K134 WeakPolarHBondContact O-CB 3.27Å; E131-K134 PolarHBondContact O-N 3.11Å; A132-K134 PolarHBondContact O-N 3.09Å; K134-A136 VanDerWaalsContact C-N 3.32Å
135	E	46.9	Very low	56.5	Low	167 Å²	167	106 Å²	106	78%	0.78	58%	0.584	S	S	*	*	H	α-helix	trans	-71.4	-29.2	179.8	-64	-162.4	143.4	0	0	112.1	C137	E135-C137 PolarHBondContact O-N 3.18Å
136	A	49.6	Very low	54.4	Low	85 Å²	85	112.3 Å²	112.3	70%	0.702	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	11.4	176.3	0	0	0	0	0	115.2	A132 K134	A132-A136 PolarHBondContact O-N 3.06Å; K134-A136 VanDerWaalsContact C-N 3.32Å
137	C	45.8	Very low	52.1	Low	102 Å²	102	121.6 Å²	121.6	69%	0.689	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.3	29.8	-178.3	-74.6	0	0	0	0	113	E135	E135-C137 PolarHBondContact O-N 3.18Å
138	L	48.3	Very low	50.1	Low	159 Å²	159	129.3 Å²	129.3	83%	0.832	69%	0.689	S	S	*	*			trans	-123.8	62.2	174	-68.5	176.8	0	0	0	111.9
139	D	46.7	Very low	48.3	Very low	146 Å²	146	132.9 Å²	132.9	78%	0.781	71%	0.708	S	S	*	*			trans	-124	79.5	164.5	-173.7	7.9	0	0	0	110	G141	D139-G141 PolarHBondContact OD1-N 3.01Å
140	E	58.1	Low	47.6	Very low	206 Å²	206	141 Å²	141	96%	0.963	74%	0.744	S	S	*	*			trans	-102.9	55.5	161.7	-71.5	-163.5	148.5	0	0	110
141	G	49.6	Very low	46.9	Very low	53 Å²	53	144 Å²	144	55%	0.546	76%	0.756	S	S	.	*			trans	40.3	135	143.7	0	0	0	0	0	122.5	D139	D139-G141 PolarHBondContact OD1-N 3.01Å
142	Y	38	Very low	46.6	Very low	233 Å²	233	144.4 Å²	144.4	91%	0.914	76%	0.762	S	S	*	*			trans	-151	137.8	138	-138.3	-93.6	0	0	0	111.4
143	E	50.2	Low	46	Very low	186 Å²	186	147.5 Å²	147.5	87%	0.869	77%	0.771	S	S	*	*			trans	-80.4	135.1	173	-66.8	179.3	117.9	0	0	111.4
144	A	45	Very low	45.4	Very low	86 Å²	86	147.3 Å²	147.3	71%	0.711	78%	0.782	S	S	*	*			trans	-164.9	120.3	149.6	0	0	0	0	0	112.9
145	T	41.7	Very low	45.1	Very low	120 Å²	120	150.7 Å²	150.7	74%	0.736	79%	0.791	S	S	*	*			trans	46.9	107	147.3	57	0	0	0	0	120.5
146	E	48.1	Very low	44.6	Very low	180 Å²	180	145.2 Å²	145.2	84%	0.841	78%	0.779	S	S	*	*				37	110.3	115	-63.1	164.7	-123.1	0	0	118.6
147	E	42.6	Very low	44.1	Very low	197 Å²	197	147 Å²	147	92%	0.921	79%	0.786	S	S	*	*				-167	170.1	93.4	-101.2	-176.3	-173.3	0	0	110.9
148	E	47.4	Very low	44	Very low	198 Å²	198	148.3 Å²	148.3	93%	0.925	79%	0.785	S	S	*	*			trans	-90.6	135.8	-172.1	-57.9	175.1	143.8	0	0	112.8
149	D	38.3	Very low	44.2	Very low	156 Å²	156	146 Å²	146	83%	0.834	78%	0.78	S	S	*	*			trans	-153.5	133.7	145.4	-151.3	-7.7	0	0	0	110.6	T151	D149-T151 PolarHBondContact O-N 2.86Å
150	E	50.1	Low	44.8	Very low	187 Å²	187	140 Å²	140	87%	0.874	75%	0.754	S	S	*	*			trans	-86.4	109.9	-176.9	-80.5	-164.1	166.1	0	0	111.5
151	T	36.5	Very low	45.3	Very low	127 Å²	127	130.6 Å²	130.6	78%	0.779	71%	0.71	S	S	*	*			trans	-119.6	97.1	157.1	49.9	0	0	0	0	110.4	D149 D153	D149-T151 PolarHBondContact O-N 2.86Å; T151-D153 PolarHBondContact O-N 3.1Å
152	D	46.3	Very low	46.5	Very low	141 Å²	141	132.1 Å²	132.1	75%	0.754	71%	0.706	S	S	*	*			trans	-69.7	75.5	162.6	179.5	25.1	0	0	0	109.9	S154	D152-S154 VanDerWaalsContact C-N 3.32Å; D152-S154 WeakPolarHBondContact OD1-CB 3.21Å; D152-S154 PolarHBondContact OD1-N 3.09Å; D152-S154 PolarHBondContact OD1-OG 3Å
153	D	37.1	Very low	48.8	Very low	115 Å²	115	122.4 Å²	122.4	62%	0.615	67%	0.672	S	S	*	*			trans	-100.7	60.3	159.7	-147.9	-19.5	0	0	0	108	T151 R155	T151-D153 PolarHBondContact O-N 3.1Å; D153-R155 PolarHBondContact O-N 2.99Å; D153-R155 WeakPolarHBondContact OD1-CD 3.44Å; D153-R155 WeakPolarHBondContact OD1-CG 3.45Å
154	S	38.6	Very low	50.6	Low	101 Å²	101	114 Å²	114	71%	0.706	63%	0.633	S	S	*	*			trans	-66.5	45.3	172.9	-67.5	0	0	0	0	113.3	D152 G156	D152-S154 VanDerWaalsContact C-N 3.32Å; D152-S154 WeakPolarHBondContact OD1-CB 3.21Å; D152-S154 PolarHBondContact OD1-N 3.09Å; D152-S154 PolarHBondContact OD1-OG 3Å; S154-G156 PolarHBondContact O-N 3.1Å
155	R	41.7	Very low	52.8	Low	220 Å²	220	117.7 Å²	117.7	83%	0.83	63%	0.628	S	S	*	*			trans	-71.4	62.8	155.2	-63.3	178	88.4	-174.8	5.5	107.8	D153	D153-R155 PolarHBondContact O-N 2.99Å; D153-R155 WeakPolarHBondContact OD1-CD 3.44Å; D153-R155 WeakPolarHBondContact OD1-CG 3.45Å
156	G	36.9	Very low	55.1	Low	52 Å²	52	113.8 Å²	113.8	54%	0.536	60%	0.603	S	S	.	*			trans	-55.2	140.4	-166.3	0	0	0	0	0	111.9	S154 I158	S154-G156 PolarHBondContact O-N 3.1Å; G156-I158 PolarHBondContact O-N 2.87Å
157	S	38.4	Very low	57.2	Low	121 Å²	121	105.2 Å²	105.2	85%	0.846	56%	0.563	S	S	*	*			trans	-42.9	128.3	167.8	-179.5	0	0	0	0	109.5	C159	S157-C159 VanDerWaalsContact C-N 3.27Å; S157-C159 PolarHBondContact O-N 2.85Å
158	I	45.7	Very low	59.7	Low	131 Å²	131	97.2 Å²	97.2	67%	0.672	53%	0.526	S	S	*	.			trans	-71.9	88.7	-169.6	-55.5	177.9	0	0	0	108.3	L125 G156 G160	L125-I158 HydrophobicContact CD1-CG2 4.12Å; L125-I158 HydrophobicContact CD2-CG2 3.78Å; G156-I158 PolarHBondContact O-N 2.87Å; I158-G160 PolarHBondContact O-N 3.4Å
159	C	50.4	Low	61.9	Low	109 Å²	109	93.2 Å²	93.2	74%	0.736	51%	0.506	S	S	*	.			trans	-55.7	122.6	-179.1	-173.6	0	0	0	0	109.6	S157	S157-C159 VanDerWaalsContact C-N 3.27Å; S157-C159 PolarHBondContact O-N 2.85Å
160	G	60.6	Low	64.5	Low	22 Å²	22	88.8 Å²	88.8	23%	0.227	48%	0.482	C	S	.	.			trans	-52.4	146.5	-171.3	0	0	0	0	0	113.3	I158 N162	I158-G160 PolarHBondContact O-N 3.4Å; G160-N162 VanDerWaalsContact O-CG 3.32Å; G160-N162 PolarHBondContact O-N 2.9Å; G160-N162 PolarHBondContact O-OD1 3.34Å
161	V	68.3	Low	66.6	Low	7 Å²	7	79.9 Å²	79.9	4%	0.042	44%	0.44	C	S	.	.			trans	-77.2	73.9	-173.2	177.7	0	0	0	0	110.6	L125 S163 I167 L170	L125-V161 HydrophobicContact CB-CB 4.41Å; L125-V161 HydrophobicContact CB-CG2 3.73Å; L125-V161 HydrophobicContact CD1-CG2 4.2Å; L125-V161 HydrophobicContact CG-CG2 4.38Å; V161-S163 VanDerWaalsContact C-N 3.32Å; V161-S163 PolarHBondContact O-N 3.45Å; V161-I167 HydrophobicContact CG1-CD1 4.1Å; V161-I167 HydrophobicContact CG1-CG1 3.33Å; V161-L170 HydrophobicContact CG2-CD1 4.01Å
162	N	73.9	Confident	69.4	Low	85 Å²	85	75 Å²	75	46%	0.455	41%	0.41	S	S	.	.			trans	-87.5	4.7	-171.3	-64	-11.4	0	0	0	113.2	G160	G160-N162 VanDerWaalsContact O-CG 3.32Å; G160-N162 PolarHBondContact O-N 2.9Å; G160-N162 PolarHBondContact O-OD1 3.34Å
163	S	86.8	Confident	71.6	Confident	30 Å²	30	71.8 Å²	71.8	21%	0.21	40%	0.403	C	S	.	.	S	Bend	trans	-153.8	151	176.9	99.8	0	0	0	0	114.6	V161 R165 D166 I167	V161-S163 VanDerWaalsContact C-N 3.32Å; V161-S163 PolarHBondContact O-N 3.45Å; S163-R165 PolarHBondContact O-N 3.12Å; S163-R165 VanDerWaalsContact O-N 3.11Å; S163-R165 WeakPolarHBondContact OG-CB 3.37Å; S163-R165 PolarHBondContact OG-N 3.1Å; S163-D166 WeakPolarHBondContact CB-OD2 3.44Å; S163-D166 PolarHBondContact O-N 3.02Å; S163-D166 PolarHBondContact OG-OD2 2.86Å; S163-I167 PolarHBondContact O-N 3.32Å
164	Y	89.3	Confident	74.2	Confident	10 Å²	10	69.2 Å²	69.2	4%	0.039	39%	0.387	C	S	.	.	H	α-helix	trans	-55.6	-28.1	173.3	-46.4	-65	0	0	0	113.1	L36 N88 V91 I92 D166 L168	L36-Y164 HydrophobicContact CB-CD1 4.01Å; L36-Y164 HydrophobicContact CB-CD2 4.35Å; L36-Y164 HydrophobicContact CB-CE1 3.92Å; L36-Y164 HydrophobicContact CB-CE2 4.27Å; L36-Y164 HydrophobicContact CB-CG 4.24Å; L36-Y164 HydrophobicContact CD1-CD1 4.11Å; L36-Y164 HydrophobicContact CD1-CE1 3.74Å; L36-Y164 HydrophobicContact CG-CE1 4.37Å; N88-Y164 HydrophobicContact CB-CE2 4.38Å; N88-Y164 WeakPolarHBondContact OD1-CE2 3.4Å; N88-Y164 PolarHBondContact OD1-OH 2.8Å; V91-Y164 HydrophobicContact CG1-CE1 4.04Å; I92-Y164 HydrophobicContact CD1-CD1 4.2Å; I92-Y164 HydrophobicContact CD1-CE1 4.32Å; I92-Y164 HydrophobicContact CG1-CD1 3.94Å; I92-Y164 HydrophobicContact CG1-CE1 3.84Å; Y164-D166 VanDerWaalsContact C-N 3.26Å; Y164-D166 PolarHBondContact O-N 2.7Å; Y164-L168 WeakPolarHBondContact O-CB 3.33Å; Y164-L168 WeakPolarHBondContact O-CD1 3.4Å; Y164-L168 WeakPolarHBondContact O-CG 3.46Å; Y164-L168 PolarHBondContact O-N 2.89Å
165	R	89.9	Confident	76.6	Confident	163 Å²	163	65.1 Å²	65.1	62%	0.615	36%	0.358	S	S	*	.	H	α-helix	trans	-65.8	-33	178.5	-173.4	-171.6	64.9	172	-4.2	111.3	S163 L168 K169	S163-R165 PolarHBondContact O-N 3.12Å; S163-R165 VanDerWaalsContact O-N 3.11Å; S163-R165 WeakPolarHBondContact OG-CB 3.37Å; S163-R165 PolarHBondContact OG-N 3.1Å; R165-L168 PolarHBondContact O-N 3.48Å; R165-K169 WeakPolarHBondContact O-CG 3.28Å; R165-K169 PolarHBondContact O-N 2.98Å
166	D	90.8	Very high	78.7	Confident	37 Å²	37	60 Å²	60	20%	0.198	35%	0.353	C	S	.	.	H	α-helix	trans	-84.7	-33.1	-173.7	-53.4	-60.1	0	0	0	110.6	S163 Y164 K169 L170	S163-D166 WeakPolarHBondContact CB-OD2 3.44Å; S163-D166 PolarHBondContact O-N 3.02Å; S163-D166 PolarHBondContact OG-OD2 2.86Å; Y164-D166 VanDerWaalsContact C-N 3.26Å; Y164-D166 PolarHBondContact O-N 2.7Å; D166-K169 WeakPolarHBondContact O-CB 3.38Å; D166-K169 PolarHBondContact O-N 2.83Å; D166-K169 WeakPolarHBondContact OD1-CE 3.15Å; D166-K169 IonicContact OD1-NZ 2.69Å; D166-K169 PolarHBondContact OD1-NZ 3.34Å; D166-L170 WeakPolarHBondContact O-CG 3.42Å; D166-L170 PolarHBondContact O-N 3.47Å
167	I	92.8	Very high	81	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-57.3	-48.7	161.2	-59	169.1	0	0	0	110.9	C29 C33 I92 L122 M126 V161 S163 K169 L170 C171	C29-I167 VanDerWaalsContact SG-CG2 3.6Å; C33-I167 HydrophobicContact CB-CG2 4.37Å; C33-I167 VanDerWaalsContact SG-CD1 3.56Å; C33-I167 VanDerWaalsContact SG-CG2 3.51Å; I92-I167 HydrophobicContact CB-CD1 4.26Å; I92-I167 HydrophobicContact CD1-CD1 3.9Å; I92-I167 HydrophobicContact CG1-CD1 3.65Å; I92-I167 HydrophobicContact CG2-CD1 3.76Å; L122-I167 HydrophobicContact CD1-CG2 4.23Å; M126-I167 HydrophobicContact CE-CD1 3.94Å; M126-I167 HydrophobicContact CG-CD1 4.17Å; M126-I167 HydrophobicContact CG-CG1 4.32Å; M126-I167 HydrophobicContact SD-CD1 4.12Å; M126-I167 HydrophobicContact SD-CG1 4.34Å; M126-I167 HydrophobicContact SD-CG2 4.34Å; V161-I167 HydrophobicContact CG1-CD1 4.1Å; V161-I167 HydrophobicContact CG1-CG1 3.33Å; S163-I167 PolarHBondContact O-N 3.32Å; I167-K169 PolarHBondContact O-N 3.25Å; I167-L170 PolarHBondContact O-N 2.89Å; I167-L170 VanDerWaalsContact O-N 3.08Å; I167-C171 PolarHBondContact O-N 2.85Å; I167-C171 PolarHBondContact O-SG 3.33Å; I167-C171 VanDerWaalsContact O-SG 3.4Å
168	L	94.3	Very high	83.4	Confident	29 Å²	29	58.8 Å²	58.8	15%	0.152	33%	0.331	C	S	.	.	H	α-helix	trans	-58.7	-34.3	178.8	-74	167.2	0	0	0	112	Y30 C33 Q34 Y164 R165 T172	Y30-L168 HydrophobicContact CD1-CD2 4.42Å; Y30-L168 HydrophobicContact CD2-CD2 3.43Å; Y30-L168 VanDerWaalsContact CD2-CD2 3.43Å; Y30-L168 HydrophobicContact CE1-CD2 4.48Å; Y30-L168 HydrophobicContact CE2-CD2 3.51Å; Y30-L168 HydrophobicContact CG-CD2 3.91Å; Y30-L168 WeakPolarHBondContact O-CD2 3.46Å; C33-L168 HydrophobicContact CB-CD1 4.46Å; C33-L168 HydrophobicContact CB-CD2 4.01Å; C33-L168 HydrophobicContact CB-CG 3.9Å; Q34-L168 HydrophobicContact CB-CD2 4.14Å; Y164-L168 WeakPolarHBondContact O-CB 3.33Å; Y164-L168 WeakPolarHBondContact O-CD1 3.4Å; Y164-L168 WeakPolarHBondContact O-CG 3.46Å; Y164-L168 PolarHBondContact O-N 2.89Å; R165-L168 PolarHBondContact O-N 3.48Å; L168-T172 VanDerWaalsContact O-CB 3.28Å; L168-T172 WeakPolarHBondContact O-CB 3.27Å; L168-T172 PolarHBondContact O-N 3.48Å; L168-T172 PolarHBondContact O-OG1 2.96Å
169	K	93.3	Very high	85.5	Confident	115 Å²	115	56.6 Å²	56.6	50%	0.5	33%	0.328	S	S	.	.	H	α-helix	trans	-65.2	-50.1	171.4	-68.1	169.2	-174.3	165.7	0	111.7	R165 D166 I167 C171 T172 A173	R165-K169 WeakPolarHBondContact O-CG 3.28Å; R165-K169 PolarHBondContact O-N 2.98Å; D166-K169 WeakPolarHBondContact O-CB 3.38Å; D166-K169 PolarHBondContact O-N 2.83Å; D166-K169 WeakPolarHBondContact OD1-CE 3.15Å; D166-K169 IonicContact OD1-NZ 2.69Å; D166-K169 PolarHBondContact OD1-NZ 3.34Å; I167-K169 PolarHBondContact O-N 3.25Å; K169-C171 PolarHBondContact O-N 3.13Å; K169-T172 CarbonylContact O-C 3.37Å; K169-T172 WeakPolarHBondContact O-CA 3.31Å; K169-T172 WeakPolarHBondContact O-CB 3.48Å; K169-T172 PolarHBondContact O-N 3.25Å; K169-A173 PolarHBondContact O-N 2.99Å
170	L	93.6	Very high	87.3	Confident	63 Å²	63	54.9 Å²	54.9	33%	0.33	31%	0.311	S	S	.	.	H	α-helix	trans	-58.4	-49.9	-179.6	-68.3	171.6	0	0	0	111	L122 L125 V161 D166 I167 T172 A173 H174	L122-L170 HydrophobicContact CD1-CB 4.15Å; L122-L170 HydrophobicContact CD1-CD1 3.76Å; L125-L170 HydrophobicContact CD1-CD1 4.25Å; V161-L170 HydrophobicContact CG2-CD1 4.01Å; D166-L170 WeakPolarHBondContact O-CG 3.42Å; D166-L170 PolarHBondContact O-N 3.47Å; I167-L170 PolarHBondContact O-N 2.89Å; I167-L170 VanDerWaalsContact O-N 3.08Å; L170-T172 PolarHBondContact O-N 2.91Å; L170-A173 PolarHBondContact O-N 3.42Å; L170-A173 VanDerWaalsContact O-N 3.09Å; L170-H174 PolarHBondContact O-N 3.37Å
171	C	94.4	Very high	88.7	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-59.3	-33.3	173.1	-63.7	0	0	0	0	112.8	W26 Y30 I167 K169 Y185	W26-C171 HydrophobicContact CE3-CB 4.07Å; W26-C171 HydrophobicContact CZ3-CB 4.39Å; Y30-C171 HydrophobicContact CD2-CB 3.76Å; Y30-C171 HydrophobicContact CG-CB 4.38Å; I167-C171 PolarHBondContact O-N 2.85Å; I167-C171 PolarHBondContact O-SG 3.33Å; I167-C171 VanDerWaalsContact O-SG 3.4Å; K169-C171 PolarHBondContact O-N 3.13Å; C171-Y185 HydrophobicContact CB-CE2 4.22Å; C171-Y185 VanDerWaalsContact O-CE2 3.3Å; C171-Y185 WeakPolarHBondContact O-CE2 3.48Å; C171-Y185 PolarHBondContact O-OH 2.81Å
172	T	94.3	Very high	89.9	Confident	23 Å²	23	56.3 Å²	56.3	14%	0.141	32%	0.317	C	S	.	.	H	α-helix	trans	-74.8	-30.7	177	-57.4	0	0	0	0	112.1	L168 K169 L170 H174 L175 V178 A181	L168-T172 VanDerWaalsContact O-CB 3.28Å; L168-T172 WeakPolarHBondContact O-CB 3.27Å; L168-T172 PolarHBondContact O-N 3.48Å; L168-T172 PolarHBondContact O-OG1 2.96Å; K169-T172 CarbonylContact O-C 3.37Å; K169-T172 WeakPolarHBondContact O-CA 3.31Å; K169-T172 WeakPolarHBondContact O-CB 3.48Å; K169-T172 PolarHBondContact O-N 3.25Å; L170-T172 PolarHBondContact O-N 2.91Å; T172-H174 VanDerWaalsContact C-N 3.35Å; T172-L175 PolarHBondContact O-N 2.82Å; T172-V178 HydrophobicContact CG2-CB 4Å; T172-V178 HydrophobicContact CG2-CG1 3.62Å; T172-V178 HydrophobicContact CG2-CG2 4.27Å; T172-V178 WeakPolarHBondContact CG2-O 3.44Å; T172-A181 HydrophobicContact CG2-CB 3.85Å
173	A	92.9	Very high	90.8	Very high	75 Å²	75	55.8 Å²	55.8	62%	0.62	32%	0.32	S	S	*	.	H	α-helix	trans	-74.8	-18.8	179	0	0	0	0	0	114.2	K169 L170 L175	K169-A173 PolarHBondContact O-N 2.99Å; L170-A173 PolarHBondContact O-N 3.42Å; L170-A173 VanDerWaalsContact O-N 3.09Å; A173-L175 PolarHBondContact O-N 3.27Å
174	H	91.5	Very high	91	Very high	60 Å²	60	55.4 Å²	55.4	28%	0.278	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-29.4	169.7	174.1	66.4	0	0	0	112.6	E23 W26 L170 T172 Y185	E23-H174 IonicContact OE1-CD2 2.68Å; E23-H174 IonicContact OE1-NE2 2.65Å; E23-H174 IonicContact OE2-CD2 2.69Å; E23-H174 IonicContact OE2-CE1 2.69Å; E23-H174 IonicContact OE2-NE2 3.43Å; E23-H174 PolarHBondContact OE2-NE2 2.95Å; W26-H174 AromaticContact CD1-CD2 3.76Å; W26-H174 AromaticContact CD1-CE1 3.79Å; W26-H174 AromaticContact CD1-NE2 3.51Å; W26-H174 HydrophobicContact CD2-CB 4.18Å; W26-H174 AromaticContact CD2-CG 3.96Å; W26-H174 AromaticContact CE2-CG 3.75Å; W26-H174 AromaticContact CE2-ND1 3.71Å; W26-H174 HydrophobicContact CE3-CB 4.18Å; W26-H174 AromaticContact CG-CD2 3.85Å; W26-H174 HydrophobicContact CH2-CB 4.23Å; W26-H174 HydrophobicContact CZ2-CB 4.21Å; W26-H174 AromaticContact CZ2-ND1 3.94Å; W26-H174 HydrophobicContact CZ3-CB 4.19Å; W26-H174 AromaticContact NE1-CD2 3.94Å; W26-H174 AromaticContact NE1-CE1 3.46Å; W26-H174 PolarHBondContact NE1-CE1 3.37Å; W26-H174 AromaticContact NE1-CG 3.9Å; W26-H174 AromaticContact NE1-ND1 3.62Å; W26-H174 AromaticContact NE1-NE2 3.68Å; L170-H174 PolarHBondContact O-N 3.37Å; T172-H174 VanDerWaalsContact C-N 3.35Å; H174-Y185 PolarHBondContact CD2-OH 3.46Å
175	L	88.3	Confident	91.2	Very high	16 Å²	16	54.9 Å²	54.9	8%	0.084	31%	0.313	C	S	.	.	S	Bend	trans	-89.6	141.1	-177.7	-55.9	-174.9	0	0	0	112	T172 A173 S177 A181 H184 Y185	T172-L175 PolarHBondContact O-N 2.82Å; A173-L175 PolarHBondContact O-N 3.27Å; L175-S177 PolarHBondContact O-N 2.95Å; L175-A181 VanDerWaalsContact CD1-CA 3.48Å; L175-A181 HydrophobicContact CD1-CB 3.81Å; L175-H184 HydrophobicContact CD1-CB 4.04Å; L175-Y185 HydrophobicContact CD1-CE2 4.07Å; L175-Y185 HydrophobicContact CD2-CE1 4.34Å; L175-Y185 HydrophobicContact CG-CE2 4.4Å
176	P	85.6	Confident	91.5	Very high	113 Å²	113	50.4 Å²	50.4	73%	0.734	30%	0.299	S	S	*	.	S	Bend	trans	-61.7	-12.9	173.6	-20.5	30.5	0	0	0	114.6	L264	P176-L264 HydrophobicContact CG-CD1 3.99Å
177	S	87	Confident	91.5	Very high	43 Å²	43	48.9 Å²	48.9	30%	0.301	29%	0.291	S	S	.	.			trans	-135	96.9	-176.2	-175.4	0	0	0	0	109.2	L175 S179 D180	L175-S177 PolarHBondContact O-N 2.95Å; S177-S179 PolarHBondContact O-N 3.03Å; S177-S179 VanDerWaalsContact O-N 3.15Å; S177-S179 PolarHBondContact OG-OG 3.32Å; S177-D180 WeakPolarHBondContact CB-OD2 3.43Å; S177-D180 PolarHBondContact O-N 3.34Å; S177-D180 PolarHBondContact OG-OD1 2.95Å; S177-D180 PolarHBondContact OG-OD2 3.47Å
178	V	88.8	Confident	91.5	Very high	103 Å²	103	49 Å²	49	62%	0.624	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-29	-177.4	164.7	0	0	0	0	112.7	T172 D180	T172-V178 HydrophobicContact CG2-CB 4Å; T172-V178 HydrophobicContact CG2-CG1 3.62Å; T172-V178 HydrophobicContact CG2-CG2 4.27Å; T172-V178 WeakPolarHBondContact CG2-O 3.44Å; V178-D180 VanDerWaalsContact C-N 3.27Å; V178-D180 PolarHBondContact O-N 3.22Å
179	S	88.3	Confident	91.5	Very high	86 Å²	86	47.6 Å²	47.6	60%	0.601	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-22.9	177.2	51.6	0	0	0	0	114.1	S177 P182	S177-S179 PolarHBondContact O-N 3.03Å; S177-S179 VanDerWaalsContact O-N 3.15Å; S177-S179 PolarHBondContact OG-OG 3.32Å; S179-P182 WeakPolarHBondContact O-CD 3.27Å
180	D	88.6	Confident	91.5	Very high	72 Å²	72	45.7 Å²	45.7	39%	0.385	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-12.1	-164.1	-56.9	-14.6	0	0	0	112.2	S177 V178 P182 S183 H184	S177-D180 WeakPolarHBondContact CB-OD2 3.43Å; S177-D180 PolarHBondContact O-N 3.34Å; S177-D180 PolarHBondContact OG-OD1 2.95Å; S177-D180 PolarHBondContact OG-OD2 3.47Å; V178-D180 VanDerWaalsContact C-N 3.27Å; V178-D180 PolarHBondContact O-N 3.22Å; D180-P182 VanDerWaalsContact C-CD 3.4Å; D180-S183 PolarHBondContact O-N 2.6Å; D180-S183 VanDerWaalsContact O-N 3.13Å; D180-S183 PolarHBondContact O-OG 3.46Å; D180-S183 VanDerWaalsContact O-OG 3.06Å; D180-H184 WeakPolarHBondContact O-CB 3.45Å; D180-H184 PolarHBondContact O-N 2.77Å
181	A	91.1	Very high	91.3	Very high	0 Å²	0	43 Å²	43	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-49.8	-43.1	179	0	0	0	0	0	115.2	Y30 T172 L175 S183 Y185	Y30-A181 HydrophobicContact CE2-CB 4.05Å; T172-A181 HydrophobicContact CG2-CB 3.85Å; L175-A181 VanDerWaalsContact CD1-CA 3.48Å; L175-A181 HydrophobicContact CD1-CB 3.81Å; A181-S183 PolarHBondContact O-N 3.4Å; A181-Y185 HydrophobicContact CB-CD2 3.92Å; A181-Y185 HydrophobicContact CB-CE2 3.84Å; A181-Y185 WeakPolarHBondContact O-CB 3.34Å; A181-Y185 WeakPolarHBondContact O-CD2 3.42Å; A181-Y185 PolarHBondContact O-N 3.19Å
182	P	92.8	Very high	91.2	Very high	60 Å²	60	43.3 Å²	43.3	39%	0.39	26%	0.263	S	S	.	.	H	α-helix	trans	-62.2	-41.6	179.3	-19.7	31.3	0	0	0	113.2	Y30 S179 D180 Q186	Y30-P182 WeakPolarHBondContact OH-CG 3.25Å; S179-P182 WeakPolarHBondContact O-CD 3.27Å; D180-P182 VanDerWaalsContact C-CD 3.4Å; P182-Q186 VanDerWaalsContact O-CB 3.26Å; P182-Q186 WeakPolarHBondContact O-CB 3.26Å; P182-Q186 PolarHBondContact O-N 2.77Å
183	S	91.8	Very high	91.1	Very high	74 Å²	74	43.3 Å²	43.3	52%	0.517	26%	0.26	S	S	.	.	H	α-helix	trans	-86.1	-35.1	-175.5	59.3	0	0	0	0	112.3	D180 A181 A187	D180-S183 PolarHBondContact O-N 2.6Å; D180-S183 VanDerWaalsContact O-N 3.13Å; D180-S183 PolarHBondContact O-OG 3.46Å; D180-S183 VanDerWaalsContact O-OG 3.06Å; A181-S183 PolarHBondContact O-N 3.4Å; S183-A187 WeakPolarHBondContact O-CB 3.43Å; S183-A187 PolarHBondContact O-N 3.37Å
184	H	91.4	Very high	91	Very high	21 Å²	21	41.6 Å²	41.6	10%	0.097	24%	0.242	C	C	.	.	H	α-helix	trans	-65	-55.8	174.9	177.4	73.2	0	0	0	111.6	E23 L175 D180 Q186 A187 V188 L264	E23-H184 IonicContact OE1-CD2 3.22Å; E23-H184 IonicContact OE1-CE1 3.91Å; E23-H184 IonicContact OE1-NE2 2.9Å; E23-H184 PolarHBondContact OE1-NE2 2.94Å; L175-H184 HydrophobicContact CD1-CB 4.04Å; D180-H184 WeakPolarHBondContact O-CB 3.45Å; D180-H184 PolarHBondContact O-N 2.77Å; H184-Q186 VanDerWaalsContact C-N 3.27Å; H184-Q186 PolarHBondContact O-N 2.91Å; H184-A187 CarbonylContact O-C 3.57Å; H184-A187 WeakPolarHBondContact O-CA 3.13Å; H184-A187 VanDerWaalsContact O-CB 3.31Å; H184-A187 WeakPolarHBondContact O-CB 3.27Å; H184-A187 PolarHBondContact O-N 3.22Å; H184-V188 WeakPolarHBondContact O-CG2 3.49Å; H184-V188 PolarHBondContact O-N 3.18Å; H184-L264 PolarHBondContact CE1-O 3.23Å; H184-L264 VanDerWaalsContact CE1-O 3.3Å
185	Y	94.9	Very high	90.8	Very high	0 Å²	0	40 Å²	40	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-67.7	-27.6	-179.3	-66	-46.3	0	0	0	113	W26 A27 Y30 C171 H174 L175 A181 C189	W26-Y185 HydrophobicContact CB-CE1 3.74Å; A27-Y185 VanDerWaalsContact CA-CD1 3.44Å; A27-Y185 HydrophobicContact CB-CD1 3.65Å; A27-Y185 HydrophobicContact CB-CG 4.23Å; Y30-Y185 AromaticContact CD1-CD2 3.54Å; Y30-Y185 HydrophobicContact CD1-CD2 3.54Å; Y30-Y185 HydrophobicContact CD1-CG 4.02Å; Y30-Y185 AromaticContact CD2-CD2 3.63Å; Y30-Y185 HydrophobicContact CD2-CD2 3.63Å; Y30-Y185 AromaticContact CD2-CE2 3.87Å; Y30-Y185 HydrophobicContact CD2-CE2 3.87Å; Y30-Y185 HydrophobicContact CE1-CD2 4.03Å; Y30-Y185 HydrophobicContact CE2-CD2 4.13Å; Y30-Y185 HydrophobicContact CE2-CE2 4.44Å; Y30-Y185 AromaticContact CG-CD2 3.32Å; Y30-Y185 HydrophobicContact CG-CD2 3.32Å; Y30-Y185 AromaticContact CG-CE2 3.94Å; Y30-Y185 HydrophobicContact CG-CE2 3.94Å; Y30-Y185 HydrophobicContact CG-CG 4.05Å; C171-Y185 HydrophobicContact CB-CE2 4.22Å; C171-Y185 VanDerWaalsContact O-CE2 3.3Å; C171-Y185 WeakPolarHBondContact O-CE2 3.48Å; C171-Y185 PolarHBondContact O-OH 2.81Å; H174-Y185 PolarHBondContact CD2-OH 3.46Å; L175-Y185 HydrophobicContact CD1-CE2 4.07Å; L175-Y185 HydrophobicContact CD2-CE1 4.34Å; L175-Y185 HydrophobicContact CG-CE2 4.4Å; A181-Y185 HydrophobicContact CB-CD2 3.92Å; A181-Y185 HydrophobicContact CB-CE2 3.84Å; A181-Y185 WeakPolarHBondContact O-CB 3.34Å; A181-Y185 WeakPolarHBondContact O-CD2 3.42Å; A181-Y185 PolarHBondContact O-N 3.19Å; Y185-C189 PolarHBondContact O-N 2.94Å; Y185-C189 VanDerWaalsContact O-N 3.16Å; Y185-C189 PolarHBondContact O-SG 2.84Å; Y185-C189 VanDerWaalsContact O-SG 3.35Å
186	Q	94.4	Very high	90.9	Very high	68 Å²	68	39.3 Å²	39.3	32%	0.318	23%	0.231	S	C	.	.	H	α-helix	trans	-66.2	-39.3	166.9	-173.5	176	11.3	0	0	111.7	Q31 D59 G60 P182 H184 R190	Q31-Q186 VanDerWaalsContact NE2-N 3.18Å; D59-Q186 WeakPolarHBondContact O-CG 3.37Å; D59-Q186 PolarHBondContact O-NE2 3.05Å; G60-Q186 WeakPolarHBondContact CA-O 3.39Å; P182-Q186 VanDerWaalsContact O-CB 3.26Å; P182-Q186 WeakPolarHBondContact O-CB 3.26Å; P182-Q186 PolarHBondContact O-N 2.77Å; H184-Q186 VanDerWaalsContact C-N 3.27Å; H184-Q186 PolarHBondContact O-N 2.91Å; Q186-R190 VanDerWaalsContact O-CB 3.25Å; Q186-R190 WeakPolarHBondContact O-CB 3.17Å; Q186-R190 PolarHBondContact O-N 3.35Å
187	A	91.3	Very high	91.1	Very high	6 Å²	6	36.1 Å²	36.1	5%	0.05	21%	0.205	C	C	.	.	H	α-helix	trans	-66	-43.9	175.8	0	0	0	0	0	112.7	S183 H184 C189 R190 A191 Y268	S183-A187 WeakPolarHBondContact O-CB 3.43Å; S183-A187 PolarHBondContact O-N 3.37Å; H184-A187 CarbonylContact O-C 3.57Å; H184-A187 WeakPolarHBondContact O-CA 3.13Å; H184-A187 VanDerWaalsContact O-CB 3.31Å; H184-A187 WeakPolarHBondContact O-CB 3.27Å; H184-A187 PolarHBondContact O-N 3.22Å; A187-C189 PolarHBondContact O-N 3.1Å; A187-R190 PolarHBondContact O-N 3.32Å; A187-A191 WeakPolarHBondContact O-CB 3.43Å; A187-A191 PolarHBondContact O-N 2.79Å; A187-Y268 CarbonylContact C-O 3.56Å
188	V	92.6	Very high	91.2	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.006	21%	0.205	C	C	.	.	H	α-helix	trans	-56.7	-50.1	174.2	-180	0	0	0	0	111.2	E23 Q24 A27 H184 R190 A191 L192 Y268	E23-V188 HydrophobicContact CG-CG2 4.11Å; Q24-V188 HydrophobicContact CB-CG1 4.46Å; Q24-V188 HydrophobicContact CG-CG1 3.91Å; A27-V188 HydrophobicContact CB-CB 3.57Å; A27-V188 HydrophobicContact CB-CG1 3.5Å; A27-V188 VanDerWaalsContact CB-CG1 3.5Å; A27-V188 HydrophobicContact CB-CG2 4.29Å; H184-V188 WeakPolarHBondContact O-CG2 3.49Å; H184-V188 PolarHBondContact O-N 3.18Å; V188-R190 PolarHBondContact O-N 2.87Å; V188-A191 PolarHBondContact O-N 2.88Å; V188-L192 WeakPolarHBondContact O-CB 3.44Å; V188-L192 PolarHBondContact O-N 3.47Å; V188-Y268 HydrophobicContact CB-CD1 4.28Å; V188-Y268 HydrophobicContact CB-CG 4.25Å; V188-Y268 HydrophobicContact CG1-CD1 4.06Å; V188-Y268 HydrophobicContact CG1-CE1 4.41Å; V188-Y268 HydrophobicContact CG1-CG 4.44Å; V188-Y268 HydrophobicContact CG2-CD1 4.08Å; V188-Y268 HydrophobicContact CG2-CD2 3.96Å; V188-Y268 HydrophobicContact CG2-CG 3.62Å
189	C	95	Very high	91.1	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.007	18%	0.175	C	C	.	.	H	α-helix	trans	-65	-38.7	178	-68.8	0	0	0	0	112.5	I56 G60 Y185 A187 L192 Y193	I56-C189 HydrophobicContact CG2-CB 4.02Å; I56-C189 WeakPolarHBondContact CG2-O 3.36Å; G60-C189 WeakPolarHBondContact O-CB 3.47Å; Y185-C189 PolarHBondContact O-N 2.94Å; Y185-C189 VanDerWaalsContact O-N 3.16Å; Y185-C189 PolarHBondContact O-SG 2.84Å; Y185-C189 VanDerWaalsContact O-SG 3.35Å; A187-C189 PolarHBondContact O-N 3.1Å; C189-L192 PolarHBondContact O-N 3.31Å; C189-Y193 PolarHBondContact O-N 3Å
190	R	93.1	Very high	91.1	Very high	74 Å²	74	31.6 Å²	31.6	28%	0.279	16%	0.16	S	C	.	.	H	α-helix	trans	-63	-45.5	175.1	-177.3	178.6	68.4	-104.7	-0.9	111.8	Q186 A187 V188 Y193 T194 Q269	Q186-R190 VanDerWaalsContact O-CB 3.25Å; Q186-R190 WeakPolarHBondContact O-CB 3.17Å; Q186-R190 PolarHBondContact O-N 3.35Å; A187-R190 PolarHBondContact O-N 3.32Å; V188-R190 PolarHBondContact O-N 2.87Å; R190-Y193 PolarHBondContact O-N 3.37Å; R190-T194 PolarHBondContact O-N 2.88Å; R190-T194 PolarHBondContact O-OG1 3.36Å; R190-Q269 PolarHBondContact NH2-O 3.45Å
191	A	90	Very high	91.1	Very high	6 Å²	6	31 Å²	31	5%	0.05	16%	0.158	C	C	.	.	H	α-helix	trans	-64.8	-41.1	179	0	0	0	0	0	111.7	A187 V188 T194 E195 Y268	A187-A191 WeakPolarHBondContact O-CB 3.43Å; A187-A191 PolarHBondContact O-N 2.79Å; V188-A191 PolarHBondContact O-N 2.88Å; A191-T194 PolarHBondContact O-N 3.44Å; A191-T194 PolarHBondContact O-OG1 2.76Å; A191-E195 WeakPolarHBondContact O-CG 3.43Å; A191-E195 PolarHBondContact O-N 3.14Å; A191-Y268 HydrophobicContact CB-CD1 4.43Å
192	L	91.3	Very high	90.8	Very high	8 Å²	8	34.1 Å²	34.1	4%	0.042	17%	0.172	C	C	.	.	H	α-helix	trans	-60.5	-45	173.3	-179.7	56.7	0	0	0	111.4	I12 Q24 I56 V188 C189 T196	I12-L192 HydrophobicContact CD1-CD2 4.34Å; I12-L192 HydrophobicContact CD1-CG 4.21Å; I12-L192 HydrophobicContact CG2-CD1 3.82Å; I12-L192 HydrophobicContact CG2-CD2 4.46Å; I12-L192 HydrophobicContact CG2-CG 4.29Å; Q24-L192 HydrophobicContact CB-CD2 4.49Å; Q24-L192 HydrophobicContact CG-CD2 4.22Å; I56-L192 HydrophobicContact CD1-CD2 3.79Å; I56-L192 HydrophobicContact CD1-CG 4.43Å; V188-L192 WeakPolarHBondContact O-CB 3.44Å; V188-L192 PolarHBondContact O-N 3.47Å; C189-L192 PolarHBondContact O-N 3.31Å; L192-T196 WeakPolarHBondContact O-CB 3.36Å; L192-T196 PolarHBondContact O-N 2.99Å; L192-T196 VanDerWaalsContact O-N 3.09Å; L192-T196 PolarHBondContact O-OG1 3.46Å
193	Y	93.1	Very high	90.4	Very high	22 Å²	22	31.9 Å²	31.9	9%	0.086	16%	0.157	C	C	.	.	H	α-helix	trans	-60.4	-47.8	174.9	175	-83.3	0	0	0	112.3	E5 L7 I56 K58 C189 R190 T196 R197	E5-Y193 PolarHBondContact O-OH 2.95Å; E5-Y193 VanDerWaalsContact O-OH 3.06Å; L7-Y193 HydrophobicContact CB-CD2 4.2Å; L7-Y193 HydrophobicContact CB-CE2 4.36Å; L7-Y193 HydrophobicContact CD1-CD2 3.74Å; L7-Y193 HydrophobicContact CD1-CE2 3.91Å; L7-Y193 HydrophobicContact CD1-CG 4.38Å; L7-Y193 HydrophobicContact CG-CD2 4.02Å; L7-Y193 HydrophobicContact CG-CE2 3.88Å; I56-Y193 WeakPolarHBondContact O-CD2 3.47Å; K58-Y193 HydrophobicContact CB-CD1 4.25Å; K58-Y193 HydrophobicContact CB-CE1 3.69Å; K58-Y193 HydrophobicContact CG-CD1 4.47Å; K58-Y193 HydrophobicContact CG-CE1 3.87Å; C189-Y193 PolarHBondContact O-N 3Å; R190-Y193 PolarHBondContact O-N 3.37Å; Y193-T196 PolarHBondContact O-N 3.19Å; Y193-R197 HydrophobicContact CD1-CG 4.17Å; Y193-R197 HydrophobicContact CE1-CG 3.66Å; Y193-R197 HydrophobicContact CE2-CG 4.34Å; Y193-R197 WeakPolarHBondContact O-CG 3.39Å; Y193-R197 PolarHBondContact O-N 3.32Å; Y193-R197 PolarHBondContact OH-NE 3.46Å; Y193-R197 VanDerWaalsContact OH-NE 3.15Å
194	T	90.3	Very high	90.1	Very high	39 Å²	39	33.1 Å²	33.1	24%	0.239	15%	0.154	C	C	.	.	H	α-helix	trans	-69.1	-44.1	-176.7	53	0	0	0	0	112.5	R190 A191 T196 R197 E198 T271	R190-T194 PolarHBondContact O-N 2.88Å; R190-T194 PolarHBondContact O-OG1 3.36Å; A191-T194 PolarHBondContact O-N 3.44Å; A191-T194 PolarHBondContact O-OG1 2.76Å; T194-T196 VanDerWaalsContact C-N 3.3Å; T194-T196 PolarHBondContact O-N 2.96Å; T194-R197 PolarHBondContact O-N 2.99Å; T194-R197 VanDerWaalsContact O-N 3.17Å; T194-E198 WeakPolarHBondContact O-CG 3.32Å; T194-E198 PolarHBondContact O-N 2.89Å; T194-T271 WeakPolarHBondContact OG1-CG2 3.36Å
195	E	87.5	Confident	89.9	Confident	27 Å²	27	38.9 Å²	38.9	13%	0.126	18%	0.179	C	C	.	.	H	α-helix	trans	-62.3	-37.8	175.6	-68.5	-167.5	-175.8	0	0	112	Y16 A191 R197 E198 L199 M244 R248	Y16-E195 VanDerWaalsContact OH-C 3.3Å; Y16-E195 VanDerWaalsContact OH-CB 3.25Å; Y16-E195 WeakPolarHBondContact OH-CB 3.49Å; Y16-E195 PolarHBondContact OH-O 2.65Å; A191-E195 WeakPolarHBondContact O-CG 3.43Å; A191-E195 PolarHBondContact O-N 3.14Å; E195-R197 PolarHBondContact O-N 3.47Å; E195-E198 PolarHBondContact O-N 2.66Å; E195-L199 WeakPolarHBondContact O-CB 3.08Å; E195-L199 PolarHBondContact O-N 3Å; E195-M244 HydrophobicContact CG-CE 3.84Å; E195-R248 IonicContact OE1-CZ 2.72Å; E195-R248 VanDerWaalsContact OE1-CZ 3.28Å; E195-R248 IonicContact OE1-NE 3.9Å; E195-R248 PolarHBondContact OE1-NE 3.38Å; E195-R248 IonicContact OE1-NH2 3.99Å; E195-R248 PolarHBondContact OE1-NH2 3.48Å
196	T	90.7	Very high	89.4	Confident	1 Å²	1	40.2 Å²	40.2	1%	0.006	19%	0.186	C	C	.	.	H	α-helix	trans	-63.4	-41.5	175	-52.2	0	0	0	0	111.3	L7 I12 L15 Y16 L192 Y193 T194 L199 R200	L7-T196 HydrophobicContact CD1-CG2 3.69Å; I12-T196 HydrophobicContact CG1-CG2 3.93Å; L15-T196 HydrophobicContact CD2-CG2 3.59Å; Y16-T196 HydrophobicContact CE2-CG2 4.23Å; Y16-T196 WeakPolarHBondContact CE2-OG1 3.46Å; Y16-T196 PolarHBondContact OH-N 3.41Å; L192-T196 WeakPolarHBondContact O-CB 3.36Å; L192-T196 PolarHBondContact O-N 2.99Å; L192-T196 VanDerWaalsContact O-N 3.09Å; L192-T196 PolarHBondContact O-OG1 3.46Å; Y193-T196 PolarHBondContact O-N 3.19Å; T194-T196 VanDerWaalsContact C-N 3.3Å; T194-T196 PolarHBondContact O-N 2.96Å; T196-L199 PolarHBondContact O-N 3.49Å; T196-R200 WeakPolarHBondContact O-CB 3.35Å; T196-R200 PolarHBondContact O-N 3.31Å
197	R	90.3	Very high	88.8	Confident	46 Å²	46	43.8 Å²	43.8	17%	0.174	20%	0.2	C	C	.	.	H	α-helix	trans	-64.9	-40.5	176.8	-75.7	-72.5	171.6	-167.4	-6.3	112.4	E5 L7 Y193 T194 E195 T201	E5-R197 PolarHBondContact O-NH2 3.26Å; E5-R197 IonicContact OE2-CZ 3.57Å; E5-R197 IonicContact OE2-NH1 3.62Å; E5-R197 PolarHBondContact OE2-NH1 2.81Å; E5-R197 IonicContact OE2-NH2 2.71Å; E5-R197 PolarHBondContact OE2-NH2 3.22Å; L7-R197 HydrophobicContact CD1-CG 4.06Å; Y193-R197 HydrophobicContact CD1-CG 4.17Å; Y193-R197 HydrophobicContact CE1-CG 3.66Å; Y193-R197 HydrophobicContact CE2-CG 4.34Å; Y193-R197 WeakPolarHBondContact O-CG 3.39Å; Y193-R197 PolarHBondContact O-N 3.32Å; Y193-R197 PolarHBondContact OH-NE 3.46Å; Y193-R197 VanDerWaalsContact OH-NE 3.15Å; T194-R197 PolarHBondContact O-N 2.99Å; T194-R197 VanDerWaalsContact O-N 3.17Å; E195-R197 PolarHBondContact O-N 3.47Å; R197-T201 WeakPolarHBondContact O-CB 3.46Å; R197-T201 PolarHBondContact O-N 3.38Å; R197-T201 PolarHBondContact O-OG1 2.63Å
198	E	88.1	Confident	88.4	Confident	65 Å²	65	46.4 Å²	46.4	30%	0.304	22%	0.218	S	C	.	.	H	α-helix	trans	-64.8	-46.5	174.4	-69.9	-179.6	171.8	0	0	111.5	T194 E195 R200 T201 F202 W240 M244	T194-E198 WeakPolarHBondContact O-CG 3.32Å; T194-E198 PolarHBondContact O-N 2.89Å; E195-E198 PolarHBondContact O-N 2.66Å; E198-R200 PolarHBondContact O-N 2.91Å; E198-T201 PolarHBondContact O-N 2.61Å; E198-F202 VanDerWaalsContact O-CB 3.31Å; E198-F202 WeakPolarHBondContact O-CB 3.49Å; E198-F202 PolarHBondContact O-N 2.69Å; E198-W240 HydrophobicContact CB-CH2 3.92Å; E198-W240 HydrophobicContact CB-CZ2 3.5Å; E198-W240 VanDerWaalsContact CB-CZ2 3.5Å; E198-M244 VanDerWaalsContact OE2-CE 3.3Å; E198-M244 WeakPolarHBondContact OE2-CE 3.36Å
199	L	87.3	Confident	87.9	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-59.7	-44.6	175.9	175.1	57	0	0	0	112	L15 Y16 E195 T196 F202 L203 A237 W240	L15-L199 HydrophobicContact CD2-CB 4.17Å; L15-L199 HydrophobicContact CD2-CD2 3.94Å; L15-L199 HydrophobicContact CD2-CG 3.87Å; L15-L199 HydrophobicContact CG-CD2 3.99Å; L15-L199 HydrophobicContact CG-CG 4.14Å; Y16-L199 HydrophobicContact CD1-CD2 3.99Å; Y16-L199 HydrophobicContact CD2-CD2 4Å; Y16-L199 HydrophobicContact CE1-CD2 3.87Å; Y16-L199 HydrophobicContact CE2-CD2 3.85Å; Y16-L199 HydrophobicContact CG-CD2 4.08Å; E195-L199 WeakPolarHBondContact O-CB 3.08Å; E195-L199 PolarHBondContact O-N 3Å; T196-L199 PolarHBondContact O-N 3.49Å; L199-F202 HydrophobicContact CD1-CD1 4.34Å; L199-F202 WeakPolarHBondContact O-CB 3.26Å; L199-F202 PolarHBondContact O-N 2.79Å; L199-L203 HydrophobicContact CD1-CD1 3.78Å; L199-L203 HydrophobicContact CD1-CG 3.93Å; L199-L203 HydrophobicContact CG-CD1 3.95Å; L199-L203 WeakPolarHBondContact O-CB 3.39Å; L199-L203 WeakPolarHBondContact O-CG 3.46Å; L199-L203 PolarHBondContact O-N 2.83Å; L199-A237 HydrophobicContact CD1-CB 4.4Å; L199-A237 HydrophobicContact CD2-CB 4.03Å; L199-W240 HydrophobicContact CB-CD2 4.41Å; L199-W240 HydrophobicContact CB-CG 4.34Å; L199-W240 HydrophobicContact CD1-CB 3.85Å; L199-W240 HydrophobicContact CD1-CD2 4.2Å; L199-W240 HydrophobicContact CD1-CG 3.78Å; L199-W240 HydrophobicContact CG-CG 4.48Å
200	R	87.7	Confident	87.2	Confident	73 Å²	73	51.4 Å²	51.4	28%	0.275	25%	0.25	S	C	.	.	H	α-helix	trans	-59.8	-49.3	175.9	178.5	166.9	175.1	168.8	-10.1	111.2	E11 L15 T196 E198 F202 L203 E204	E11-R200 IonicContact OE1-NH1 3.62Å; E11-R200 PolarHBondContact OE1-NH1 3.46Å; L15-R200 HydrophobicContact CD2-CB 3.97Å; T196-R200 WeakPolarHBondContact O-CB 3.35Å; T196-R200 PolarHBondContact O-N 3.31Å; E198-R200 PolarHBondContact O-N 2.91Å; R200-F202 VanDerWaalsContact C-N 3.27Å; R200-F202 PolarHBondContact O-N 3.49Å; R200-L203 PolarHBondContact O-N 2.75Å; R200-E204 HydrophobicContact CG-CG 4.49Å; R200-E204 WeakPolarHBondContact CG-OE1 3.47Å; R200-E204 IonicContact CZ-OE1 3.19Å; R200-E204 IonicContact NE-OE1 3.21Å; R200-E204 PolarHBondContact NE-OE1 3.15Å; R200-E204 WeakPolarHBondContact O-CB 3.48Å; R200-E204 VanDerWaalsContact O-CG 3.32Å; R200-E204 WeakPolarHBondContact O-CG 3.36Å; R200-E204 PolarHBondContact O-N 3.42Å
201	T	87.8	Confident	86.6	Confident	59 Å²	59	52.3 Å²	52.3	36%	0.362	26%	0.257	S	S	.	.	H	α-helix	trans	-60	-36.9	176.8	-54.7	0	0	0	0	112.1	R197 E198 K205	R197-T201 WeakPolarHBondContact O-CB 3.46Å; R197-T201 PolarHBondContact O-N 3.38Å; R197-T201 PolarHBondContact O-OG1 2.63Å; E198-T201 PolarHBondContact O-N 2.61Å; T201-K205 HydrophobicContact CG2-CD 4.26Å; T201-K205 WeakPolarHBondContact O-CB 3.29Å; T201-K205 WeakPolarHBondContact O-CD 3.37Å; T201-K205 VanDerWaalsContact O-CG 3.24Å; T201-K205 WeakPolarHBondContact O-CG 3.32Å; T201-K205 PolarHBondContact O-N 3.5Å; T201-K205 VanDerWaalsContact O-N 3.09Å
202	F	86.3	Confident	86.2	Confident	66 Å²	66	55.9 Å²	55.9	29%	0.289	28%	0.275	S	S	.	.	H	α-helix	trans	-69.4	-45.6	177.3	173.4	-109.5	0	0	0	112.1	E198 L199 R200 K205 I206 W236 W240	E198-F202 VanDerWaalsContact O-CB 3.31Å; E198-F202 WeakPolarHBondContact O-CB 3.49Å; E198-F202 PolarHBondContact O-N 2.69Å; L199-F202 HydrophobicContact CD1-CD1 4.34Å; L199-F202 WeakPolarHBondContact O-CB 3.26Å; L199-F202 PolarHBondContact O-N 2.79Å; R200-F202 VanDerWaalsContact C-N 3.27Å; R200-F202 PolarHBondContact O-N 3.49Å; F202-K205 PolarHBondContact O-N 2.95Å; F202-I206 HydrophobicContact CD1-CD1 3.9Å; F202-I206 HydrophobicContact CD2-CD1 4.36Å; F202-I206 HydrophobicContact CE1-CD1 3.48Å; F202-I206 VanDerWaalsContact CE1-CD1 3.48Å; F202-I206 HydrophobicContact CE2-CD1 3.98Å; F202-I206 HydrophobicContact CG-CD1 4.33Å; F202-I206 HydrophobicContact CZ-CD1 3.53Å; F202-I206 WeakPolarHBondContact O-CG1 3.3Å; F202-I206 PolarHBondContact O-N 3.17Å; F202-W236 HydrophobicContact CE1-CB 4.47Å; F202-W236 HydrophobicContact CE1-CD2 4.48Å; F202-W236 AromaticContact CE1-CE3 3.81Å; F202-W236 HydrophobicContact CE1-CE3 3.81Å; F202-W236 HydrophobicContact CE1-CZ3 4.48Å; F202-W236 AromaticContact CZ-CE3 3.78Å; F202-W236 HydrophobicContact CZ-CE3 3.78Å; F202-W236 HydrophobicContact CZ-CZ3 4Å; F202-W240 HydrophobicContact CB-CE3 4.34Å; F202-W240 HydrophobicContact CB-CZ3 3.99Å; F202-W240 AromaticContact CD1-CE3 3.74Å; F202-W240 HydrophobicContact CD1-CE3 3.74Å; F202-W240 HydrophobicContact CD1-CZ3 4.12Å; F202-W240 HydrophobicContact CD2-CE3 4.47Å; F202-W240 HydrophobicContact CD2-CZ3 4.12Å; F202-W240 HydrophobicContact CE1-CE3 4.06Å; F202-W240 AromaticContact CG-CE3 3.95Å; F202-W240 HydrophobicContact CG-CE3 3.95Å; F202-W240 AromaticContact CG-CZ3 3.83Å; F202-W240 HydrophobicContact CG-CZ3 3.83Å
203	L	84.1	Confident	85.6	Confident	12 Å²	12	60.4 Å²	60.4	6%	0.063	30%	0.299	C	S	.	.	H	α-helix	trans	-65.4	-39	175.9	-71.6	169.7	0	0	0	112.3	L15 L199 R200 I206 K207 N233 W236	L15-L203 HydrophobicContact CD1-CD1 3.7Å; L15-L203 HydrophobicContact CG-CD1 4.15Å; L199-L203 HydrophobicContact CD1-CD1 3.78Å; L199-L203 HydrophobicContact CD1-CG 3.93Å; L199-L203 HydrophobicContact CG-CD1 3.95Å; L199-L203 WeakPolarHBondContact O-CB 3.39Å; L199-L203 WeakPolarHBondContact O-CG 3.46Å; L199-L203 PolarHBondContact O-N 2.83Å; R200-L203 PolarHBondContact O-N 2.75Å; L203-I206 PolarHBondContact O-N 2.93Å; L203-K207 WeakPolarHBondContact O-CB 3.42Å; L203-K207 PolarHBondContact O-N 3.31Å; L203-N233 HydrophobicContact CD2-CB 4.24Å; L203-W236 HydrophobicContact CD2-CB 3.6Å; L203-W236 HydrophobicContact CD2-CG 4.32Å
204	E	85.8	Confident	84.8	Confident	100 Å²	100	66.6 Å²	66.6	47%	0.467	32%	0.322	S	S	.	.	H	α-helix	trans	-63.4	-40.5	173.8	-73.9	169	-173.2	0	0	111.6	R200 K207 S208	R200-E204 HydrophobicContact CG-CG 4.49Å; R200-E204 WeakPolarHBondContact CG-OE1 3.47Å; R200-E204 IonicContact CZ-OE1 3.19Å; R200-E204 IonicContact NE-OE1 3.21Å; R200-E204 PolarHBondContact NE-OE1 3.15Å; R200-E204 WeakPolarHBondContact O-CB 3.48Å; R200-E204 VanDerWaalsContact O-CG 3.32Å; R200-E204 WeakPolarHBondContact O-CG 3.36Å; R200-E204 PolarHBondContact O-N 3.42Å; E204-K207 PolarHBondContact O-N 3.5Å; E204-S208 WeakPolarHBondContact O-CB 3.49Å; E204-S208 PolarHBondContact O-N 3.33Å
205	K	87.1	Confident	84.3	Confident	142 Å²	142	69.6 Å²	69.6	62%	0.617	33%	0.332	S	S	*	.	H	α-helix	trans	-64	-41	172.3	-75.5	166.8	-176.8	170.4	0	112.4	T201 F202 A209	T201-K205 HydrophobicContact CG2-CD 4.26Å; T201-K205 WeakPolarHBondContact O-CB 3.29Å; T201-K205 WeakPolarHBondContact O-CD 3.37Å; T201-K205 VanDerWaalsContact O-CG 3.24Å; T201-K205 WeakPolarHBondContact O-CG 3.32Å; T201-K205 PolarHBondContact O-N 3.5Å; T201-K205 VanDerWaalsContact O-N 3.09Å; F202-K205 PolarHBondContact O-N 2.95Å; K205-A209 WeakPolarHBondContact O-CB 3.16Å; K205-A209 PolarHBondContact O-N 2.88Å
206	I	83.7	Confident	83.4	Confident	29 Å²	29	74.2 Å²	74.2	15%	0.149	36%	0.355	C	S	.	.	H	α-helix	trans	-64	-45.6	174.2	-71.7	165.9	0	0	0	111	F202 L203 A209 K210 W236	F202-I206 HydrophobicContact CD1-CD1 3.9Å; F202-I206 HydrophobicContact CD2-CD1 4.36Å; F202-I206 HydrophobicContact CE1-CD1 3.48Å; F202-I206 VanDerWaalsContact CE1-CD1 3.48Å; F202-I206 HydrophobicContact CE2-CD1 3.98Å; F202-I206 HydrophobicContact CG-CD1 4.33Å; F202-I206 HydrophobicContact CZ-CD1 3.53Å; F202-I206 WeakPolarHBondContact O-CG1 3.3Å; F202-I206 PolarHBondContact O-N 3.17Å; L203-I206 PolarHBondContact O-N 2.93Å; I206-A209 PolarHBondContact O-N 3.01Å; I206-K210 HydrophobicContact CG2-CD 4.34Å; I206-K210 PolarHBondContact O-N 3.27Å; I206-W236 HydrophobicContact CD1-CD2 3.6Å; I206-W236 HydrophobicContact CD1-CE3 3.77Å; I206-W236 HydrophobicContact CD1-CG 3.97Å; I206-W236 HydrophobicContact CD1-CH2 4.48Å; I206-W236 HydrophobicContact CD1-CZ2 4.35Å; I206-W236 HydrophobicContact CD1-CZ3 4.21Å
207	K	81.8	Confident	82.2	Confident	142 Å²	142	78.2 Å²	78.2	62%	0.617	37%	0.373	S	S	*	.	H	α-helix	trans	-60	-48.5	177.8	-177.1	-175	173.5	-171.6	0	111	L203 E204 A209 K210 E211	L203-K207 WeakPolarHBondContact O-CB 3.42Å; L203-K207 PolarHBondContact O-N 3.31Å; E204-K207 PolarHBondContact O-N 3.5Å; K207-A209 PolarHBondContact O-N 2.75Å; K207-K210 PolarHBondContact O-N 3.37Å; K207-E211 WeakPolarHBondContact O-CB 3.47Å; K207-E211 PolarHBondContact O-N 3.03Å
208	S	83.3	Confident	80.5	Confident	61 Å²	61	82.1 Å²	82.1	43%	0.427	39%	0.394	S	S	.	.	H	α-helix	trans	-60.8	-42.2	176.1	-179.4	0	0	0	0	112	E204 E211 N212	E204-S208 WeakPolarHBondContact O-CB 3.49Å; E204-S208 PolarHBondContact O-N 3.33Å; S208-E211 PolarHBondContact O-N 3.4Å; S208-N212 WeakPolarHBondContact O-CB 3.34Å; S208-N212 PolarHBondContact O-N 3.49Å; S208-N212 PolarHBondContact O-ND2 2.89Å; S208-N212 PolarHBondContact OG-ND2 2.91Å
209	A	83	Confident	78.9	Confident	52 Å²	52	87.3 Å²	87.3	43%	0.43	42%	0.418	S	S	.	.	H	α-helix	trans	-62.9	-45.2	175	0	0	0	0	0	112.4	K205 I206 K207 N212 L213	K205-A209 WeakPolarHBondContact O-CB 3.16Å; K205-A209 PolarHBondContact O-N 2.88Å; I206-A209 PolarHBondContact O-N 3.01Å; K207-A209 PolarHBondContact O-N 2.75Å; A209-N212 PolarHBondContact O-N 3.14Å; A209-L213 WeakPolarHBondContact O-CB 3.24Å; A209-L213 VanDerWaalsContact O-CG 3.29Å; A209-L213 WeakPolarHBondContact O-CG 3.25Å; A209-L213 PolarHBondContact O-N 2.71Å
210	K	79.9	Confident	77.2	Confident	56 Å²	56	91.5 Å²	91.5	24%	0.243	44%	0.444	C	S	.	.	H	α-helix	trans	-60.3	-43	174.4	-77.7	-176.4	169.7	-168.2	0	112	I206 K207 L213 R214 N229 L231	I206-K210 HydrophobicContact CG2-CD 4.34Å; I206-K210 PolarHBondContact O-N 3.27Å; K207-K210 PolarHBondContact O-N 3.37Å; K210-L213 PolarHBondContact O-N 2.91Å; K210-R214 PolarHBondContact O-N 3.41Å; K210-N229 WeakPolarHBondContact CD-OD1 3.41Å; K210-N229 WeakPolarHBondContact CE-OD1 3.42Å; K210-N229 PolarHBondContact NZ-O 2.98Å; K210-L231 PolarHBondContact NZ-O 2.87Å
211	E	80.6	Confident	75.2	Confident	93 Å²	93	94.3 Å²	94.3	44%	0.435	47%	0.474	S	S	.	.	H	α-helix	trans	-67.8	-41.5	-180	-166.7	-173.8	130.2	0	0	112.2	K207 S208 R214 K215	K207-E211 WeakPolarHBondContact O-CB 3.47Å; K207-E211 PolarHBondContact O-N 3.03Å; S208-E211 PolarHBondContact O-N 3.4Å; E211-R214 PolarHBondContact O-N 3.09Å; E211-K215 WeakPolarHBondContact O-CG 3.33Å; E211-K215 PolarHBondContact O-N 3.39Å; E211-K215 WeakPolarHBondContact OE1-CE 3.47Å; E211-K215 IonicContact OE1-NZ 3.1Å; E211-K215 PolarHBondContact OE1-NZ 3.02Å
212	N	81.9	Confident	73.7	Confident	81 Å²	81	98.1 Å²	98.1	43%	0.433	49%	0.488	S	S	.	.	H	α-helix	trans	-68	-37	175.9	-72.2	-52.1	0	0	0	112.2	S208 A209 K215 M216	S208-N212 WeakPolarHBondContact O-CB 3.34Å; S208-N212 PolarHBondContact O-N 3.49Å; S208-N212 PolarHBondContact O-ND2 2.89Å; S208-N212 PolarHBondContact OG-ND2 2.91Å; A209-N212 PolarHBondContact O-N 3.14Å; N212-K215 PolarHBondContact O-N 3.24Å; N212-M216 WeakPolarHBondContact O-CG 3.34Å; N212-M216 PolarHBondContact O-N 3.19Å
213	L	77.4	Confident	72	Confident	102 Å²	102	103.2 Å²	103.2	53%	0.534	51%	0.513	S	S	.	.	H	α-helix	trans	-60.7	-47.4	170.6	-74.2	168.8	0	0	0	111.2	A209 K210 K215 M216 E217	A209-L213 WeakPolarHBondContact O-CB 3.24Å; A209-L213 VanDerWaalsContact O-CG 3.29Å; A209-L213 WeakPolarHBondContact O-CG 3.25Å; A209-L213 PolarHBondContact O-N 2.71Å; K210-L213 PolarHBondContact O-N 2.91Å; L213-K215 VanDerWaalsContact C-N 3.31Å; L213-K215 PolarHBondContact O-N 3.06Å; L213-M216 WeakPolarHBondContact O-CB 3.46Å; L213-M216 PolarHBondContact O-N 3.45Å; L213-M216 VanDerWaalsContact O-N 3.08Å; L213-E217 WeakPolarHBondContact O-CG 3.38Å; L213-E217 PolarHBondContact O-N 3.02Å
214	R	77.1	Confident	70.3	Confident	153 Å²	153	106.5 Å²	106.5	58%	0.577	54%	0.535	S	S	*	.	H	α-helix	trans	-58.9	-39.6	176.6	179.1	177.4	166.3	178	-3.8	112.5	K210 E211 M216 E217 E218	K210-R214 PolarHBondContact O-N 3.41Å; E211-R214 PolarHBondContact O-N 3.09Å; R214-M216 VanDerWaalsContact C-N 3.29Å; R214-M216 PolarHBondContact O-N 3.04Å; R214-E217 CarbonylContact O-C 3.57Å; R214-E217 PolarHBondContact O-N 3.21Å; R214-E217 VanDerWaalsContact O-N 3.15Å; R214-E218 IonicContact CZ-OE1 2.8Å; R214-E218 IonicContact NE-OE1 2.69Å; R214-E218 PolarHBondContact NE-OE1 2.68Å; R214-E218 IonicContact NH2-OE1 3.89Å; R214-E218 PolarHBondContact NH2-OE1 3.16Å; R214-E218 PolarHBondContact O-N 2.79Å
215	K	78.8	Confident	68.6	Low	102 Å²	102	105.2 Å²	105.2	44%	0.443	53%	0.534	S	S	.	.	H	α-helix	trans	-63	-35.4	176.5	-72.4	169.1	-173.5	166.4	0	112.4	E211 N212 L213 E219	E211-K215 WeakPolarHBondContact O-CG 3.33Å; E211-K215 PolarHBondContact O-N 3.39Å; E211-K215 WeakPolarHBondContact OE1-CE 3.47Å; E211-K215 IonicContact OE1-NZ 3.1Å; E211-K215 PolarHBondContact OE1-NZ 3.02Å; N212-K215 PolarHBondContact O-N 3.24Å; L213-K215 VanDerWaalsContact C-N 3.31Å; L213-K215 PolarHBondContact O-N 3.06Å; K215-E219 PolarHBondContact O-N 3.34Å
216	M	70	Confident	66.9	Low	123 Å²	123	106.5 Å²	106.5	61%	0.606	54%	0.535	S	S	*	.	H	α-helix	trans	-73.6	-30.6	173.1	-64.1	178	67.3	0	0	112.8	N212 L213 R214 T220	N212-M216 WeakPolarHBondContact O-CG 3.34Å; N212-M216 PolarHBondContact O-N 3.19Å; L213-M216 WeakPolarHBondContact O-CB 3.46Å; L213-M216 PolarHBondContact O-N 3.45Å; L213-M216 VanDerWaalsContact O-N 3.08Å; R214-M216 VanDerWaalsContact C-N 3.29Å; R214-M216 PolarHBondContact O-N 3.04Å; M216-T220 PolarHBondContact O-OG1 3.37Å
217	E	64.2	Low	65.2	Low	85 Å²	85	110.5 Å²	110.5	40%	0.397	56%	0.556	S	S	.	*	H	α-helix	trans	-73.1	-35	173.1	-69.6	176	165.6	0	0	111.9	L213 R214 E219 T220	L213-E217 WeakPolarHBondContact O-CG 3.38Å; L213-E217 PolarHBondContact O-N 3.02Å; R214-E217 CarbonylContact O-C 3.57Å; R214-E217 PolarHBondContact O-N 3.21Å; R214-E217 VanDerWaalsContact O-N 3.15Å; E217-E219 PolarHBondContact O-N 2.94Å; E217-T220 CarbonylContact O-C 3.53Å; E217-T220 VanDerWaalsContact O-C 3.3Å; E217-T220 PolarHBondContact O-N 2.82Å
218	E	55.8	Low	63.6	Low	129 Å²	129	110 Å²	110	60%	0.603	56%	0.56	S	S	*	*	H	α-helix	trans	-66.4	-22.6	173.8	-89.2	168.1	-167.5	0	0	113.2	R214	R214-E218 IonicContact CZ-OE1 2.8Å; R214-E218 IonicContact NE-OE1 2.69Å; R214-E218 PolarHBondContact NE-OE1 2.68Å; R214-E218 IonicContact NH2-OE1 3.89Å; R214-E218 PolarHBondContact NH2-OE1 3.16Å; R214-E218 PolarHBondContact O-N 2.79Å
219	E	53.9	Low	62.1	Low	173 Å²	173	111.7 Å²	111.7	81%	0.808	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.4	-9.1	167.9	-68.5	-170	147	0	0	113.9	K215 E217	K215-E219 PolarHBondContact O-N 3.34Å; E217-E219 PolarHBondContact O-N 2.94Å
220	T	50.7	Low	60.6	Low	89 Å²	89	115.7 Å²	115.7	55%	0.546	57%	0.574	S	S	.	*	S	Bend	trans	-134.3	101.3	-176.6	46.3	0	0	0	0	113	M216 E217 E222	M216-T220 PolarHBondContact O-OG1 3.37Å; E217-T220 CarbonylContact O-C 3.53Å; E217-T220 VanDerWaalsContact O-C 3.3Å; E217-T220 PolarHBondContact O-N 2.82Å; T220-E222 VanDerWaalsContact C-N 3.3Å; T220-E222 PolarHBondContact O-N 3.01Å
221	S	47	Very low	59.5	Low	131 Å²	131	115.3 Å²	115.3	92%	0.916	57%	0.574	S	S	*	*			trans	-69	67.4	-171.3	65.7	0	0	0	0	115.8
222	E	54.5	Low	58.8	Low	140 Å²	140	117.4 Å²	117.4	65%	0.654	58%	0.584	S	S	*	*	S	Bend	trans	-122.3	155.6	164.3	-68.7	-172.9	-171.3	0	0	109.8	T220 K669	T220-E222 VanDerWaalsContact C-N 3.3Å; T220-E222 PolarHBondContact O-N 3.01Å; E222-K669 IonicContact OE2-NZ 2.68Å; E222-K669 PolarHBondContact OE2-NZ 3.34Å
223	E	50.7	Low	58.2	Low	172 Å²	172	118.6 Å²	118.6	80%	0.804	59%	0.59	S	S	*	*			trans	-68.2	141.3	-177.2	-66.5	-168.9	120	0	0	112.9	V225	E223-V225 PolarHBondContact O-N 3.37Å
224	P	50.1	Low	57.9	Low	82 Å²	82	114.4 Å²	114.4	53%	0.532	57%	0.571	S	S	.	*			trans	-69.8	130	-175.3	27.1	-34.8	0	0	0	112.8	R226	P224-R226 WeakPolarHBondContact O-CG 3.33Å; P224-R226 PolarHBondContact O-N 2.98Å
225	V	48.9	Very low	58	Low	72 Å²	72	109.2 Å²	109.2	44%	0.436	56%	0.555	S	S	.	*			trans	-77	110.3	179.7	179.9	0	0	0	0	110.1	E223	E223-V225 PolarHBondContact O-N 3.37Å
226	R	50.5	Low	58.2	Low	170 Å²	170	107.9 Å²	107.9	64%	0.642	55%	0.547	S	S	*	.			trans	-76.6	-34.7	-164.1	-50.1	-175.2	-170.1	178.6	3.9	114.9	P224 L228 N229 E230	P224-R226 WeakPolarHBondContact O-CG 3.33Å; P224-R226 PolarHBondContact O-N 2.98Å; R226-L228 VanDerWaalsContact C-N 3.3Å; R226-L228 PolarHBondContact O-N 3.2Å; R226-N229 PolarHBondContact O-N 2.87Å; R226-E230 WeakPolarHBondContact CB-OE1 3.26Å; R226-E230 PolarHBondContact O-N 3.46Å
227	D	49.5	Very low	58.7	Low	112 Å²	112	102 Å²	102	60%	0.599	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.4	-35.2	-167.5	-89.3	-10.8	0	0	0	116.7	H662	D227-H662 IonicContact OD2-CE1 3.92Å; D227-H662 PolarHBondContact OD2-CE1 3.08Å; D227-H662 IonicContact OD2-ND1 2.72Å
228	L	48.4	Very low	59.5	Low	133 Å²	133	102.5 Å²	102.5	70%	0.696	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.3	-10.6	179.7	-73.9	175	0	0	0	113.7	R226	R226-L228 VanDerWaalsContact C-N 3.3Å; R226-L228 PolarHBondContact O-N 3.2Å
229	N	51.9	Low	60.6	Low	96 Å²	96	101.4 Å²	101.4	51%	0.513	51%	0.51	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-24.2	179.4	-147.3	4.3	0	0	0	111.8	K210 R226 L231	K210-N229 WeakPolarHBondContact CD-OD1 3.41Å; K210-N229 WeakPolarHBondContact CE-OD1 3.42Å; K210-N229 PolarHBondContact NZ-O 2.98Å; R226-N229 PolarHBondContact O-N 2.87Å; N229-L231 PolarHBondContact O-N 3.29Å
230	E	51.7	Low	62	Low	135 Å²	135	95.2 Å²	95.2	63%	0.631	48%	0.479	S	S	*	.			trans	-79.6	-10.5	-173.2	-69.2	-179.1	-173	0	0	115.9	R226 Q232	R226-E230 WeakPolarHBondContact CB-OE1 3.26Å; R226-E230 PolarHBondContact O-N 3.46Å; E230-Q232 PolarHBondContact O-N 3.38Å
231	L	56.1	Low	63.3	Low	49 Å²	49	92.7 Å²	92.7	26%	0.257	46%	0.463	S	S	.	.			trans	-61.7	120.6	167.9	-94.7	78.7	0	0	0	110.1	K210 N229 D235 W236 F239	K210-L231 PolarHBondContact NZ-O 2.87Å; N229-L231 PolarHBondContact O-N 3.29Å; L231-D235 HydrophobicContact CB-CB 4.41Å; L231-D235 HydrophobicContact CD2-CB 4.15Å; L231-D235 HydrophobicContact CG-CB 4.08Å; L231-W236 HydrophobicContact CD2-CD2 4.22Å; L231-W236 HydrophobicContact CD2-CZ2 3.94Å; L231-F239 HydrophobicContact CD2-CD2 4.43Å; L231-F239 HydrophobicContact CD2-CE2 4.13Å
232	Q	65.4	Low	64.8	Low	136 Å²	136	91.3 Å²	91.3	64%	0.636	44%	0.442	S	S	*	.			trans	-79.1	162.6	175.9	-57.4	-173.5	7.6	0	0	110.1	E230 A234 D235 W236	E230-Q232 PolarHBondContact O-N 3.38Å; Q232-A234 PolarHBondContact O-N 3.09Å; Q232-D235 PolarHBondContact N-OD2 3.47Å; Q232-D235 WeakPolarHBondContact O-CB 3.4Å; Q232-D235 PolarHBondContact O-N 3.23Å; Q232-W236 PolarHBondContact O-N 2.99Å
233	N	69.9	Low	66	Low	106 Å²	106	88.7 Å²	88.7	57%	0.567	44%	0.436	S	S	*	.	H	α-helix	trans	-58	-33.7	179.7	-66	-4.1	0	0	0	112	L203 D235 W236 A237	L203-N233 HydrophobicContact CD2-CB 4.24Å; N233-D235 VanDerWaalsContact C-N 3.32Å; N233-D235 PolarHBondContact O-N 2.69Å; N233-W236 PolarHBondContact O-N 3Å; N233-A237 PolarHBondContact O-N 3.23Å
234	A	71.3	Confident	67.3	Low	15 Å²	15	81 Å²	81	12%	0.124	40%	0.4	C	S	.	.	H	α-helix	trans	-63.2	-31.2	175.5	0	0	0	0	0	113.6	Q232 R238	Q232-A234 PolarHBondContact O-N 3.09Å; A234-R238 WeakPolarHBondContact O-CB 3.25Å; A234-R238 WeakPolarHBondContact O-CG 3.32Å; A234-R238 PolarHBondContact O-N 3.19Å; A234-R238 PolarHBondContact O-NE 3.43Å
235	D	79.5	Confident	68.5	Low	44 Å²	44	83.5 Å²	83.5	24%	0.235	40%	0.399	C	S	.	.	H	α-helix	trans	-69.9	-44.9	175.3	-61.9	-55.9	0	0	0	110.9	L231 Q232 N233 A237 R238 F239	L231-D235 HydrophobicContact CB-CB 4.41Å; L231-D235 HydrophobicContact CD2-CB 4.15Å; L231-D235 HydrophobicContact CG-CB 4.08Å; Q232-D235 PolarHBondContact N-OD2 3.47Å; Q232-D235 WeakPolarHBondContact O-CB 3.4Å; Q232-D235 PolarHBondContact O-N 3.23Å; N233-D235 VanDerWaalsContact C-N 3.32Å; N233-D235 PolarHBondContact O-N 2.69Å; D235-A237 VanDerWaalsContact C-N 3.32Å; D235-A237 PolarHBondContact O-N 2.85Å; D235-R238 PolarHBondContact O-N 3.46Å; D235-R238 IonicContact OD1-CZ 3.98Å; D235-R238 IonicContact OD1-NE 2.69Å; D235-R238 IonicContact OD1-NH2 3.25Å; D235-R238 PolarHBondContact OD1-NH2 3.41Å; D235-F239 WeakPolarHBondContact O-CD2 3.46Å; D235-F239 PolarHBondContact O-N 2.99Å
236	W	82.1	Confident	69.6	Low	73 Å²	73	82 Å²	82	28%	0.277	40%	0.398	S	S	.	.	H	α-helix	trans	-62.4	-38.7	174.9	-74.3	107.3	0	0	0	112.3	F202 L203 I206 L231 Q232 N233 F239 W240	F202-W236 HydrophobicContact CE1-CB 4.47Å; F202-W236 HydrophobicContact CE1-CD2 4.48Å; F202-W236 AromaticContact CE1-CE3 3.81Å; F202-W236 HydrophobicContact CE1-CE3 3.81Å; F202-W236 HydrophobicContact CE1-CZ3 4.48Å; F202-W236 AromaticContact CZ-CE3 3.78Å; F202-W236 HydrophobicContact CZ-CE3 3.78Å; F202-W236 HydrophobicContact CZ-CZ3 4Å; L203-W236 HydrophobicContact CD2-CB 3.6Å; L203-W236 HydrophobicContact CD2-CG 4.32Å; I206-W236 HydrophobicContact CD1-CD2 3.6Å; I206-W236 HydrophobicContact CD1-CE3 3.77Å; I206-W236 HydrophobicContact CD1-CG 3.97Å; I206-W236 HydrophobicContact CD1-CH2 4.48Å; I206-W236 HydrophobicContact CD1-CZ2 4.35Å; I206-W236 HydrophobicContact CD1-CZ3 4.21Å; L231-W236 HydrophobicContact CD2-CD2 4.22Å; L231-W236 HydrophobicContact CD2-CZ2 3.94Å; Q232-W236 PolarHBondContact O-N 2.99Å; N233-W236 PolarHBondContact O-N 3Å; W236-F239 PolarHBondContact O-N 2.97Å; W236-W240 WeakPolarHBondContact O-CB 3.48Å; W236-W240 PolarHBondContact O-N 3.28Å
237	A	80	Confident	70.7	Confident	0 Å²	0	78.8 Å²	78.8	0%	0	39%	0.393	C	S	.	.	H	α-helix	trans	-64.4	-42.7	172.6	0	0	0	0	0	112.8	L15 L199 N233 D235 F239 W240 V241	L15-A237 VanDerWaalsContact O-CB 3.3Å; L15-A237 WeakPolarHBondContact O-CB 3.32Å; L199-A237 HydrophobicContact CD1-CB 4.4Å; L199-A237 HydrophobicContact CD2-CB 4.03Å; N233-A237 PolarHBondContact O-N 3.23Å; D235-A237 VanDerWaalsContact C-N 3.32Å; D235-A237 PolarHBondContact O-N 2.85Å; A237-F239 PolarHBondContact O-N 3.18Å; A237-W240 WeakPolarHBondContact O-CB 3.33Å; A237-W240 PolarHBondContact O-N 2.86Å; A237-V241 WeakPolarHBondContact O-CG2 3.41Å; A237-V241 PolarHBondContact O-N 2.94Å
238	R	80.8	Confident	71.7	Confident	96 Å²	96	75.1 Å²	75.1	36%	0.362	37%	0.371	S	S	.	.	H	α-helix	trans	-60.1	-44.2	173.4	-78.5	-177.6	-75.9	-97.3	7.2	112.2	A234 D235 Q242	A234-R238 WeakPolarHBondContact O-CB 3.25Å; A234-R238 WeakPolarHBondContact O-CG 3.32Å; A234-R238 PolarHBondContact O-N 3.19Å; A234-R238 PolarHBondContact O-NE 3.43Å; D235-R238 PolarHBondContact O-N 3.46Å; D235-R238 IonicContact OD1-CZ 3.98Å; D235-R238 IonicContact OD1-NE 2.69Å; D235-R238 IonicContact OD1-NH2 3.25Å; D235-R238 PolarHBondContact OD1-NH2 3.41Å; R238-Q242 WeakPolarHBondContact O-CG 3.44Å; R238-Q242 PolarHBondContact O-N 3.31Å
239	F	80.1	Confident	72.9	Confident	106 Å²	106	73.8 Å²	73.8	47%	0.465	36%	0.361	S	S	.	.	H	α-helix	trans	-67.5	-37.3	175.5	-71.3	-58.2	0	0	0	112.5	L231 D235 W236 A237 Q242 V243	L231-F239 HydrophobicContact CD2-CD2 4.43Å; L231-F239 HydrophobicContact CD2-CE2 4.13Å; D235-F239 WeakPolarHBondContact O-CD2 3.46Å; D235-F239 PolarHBondContact O-N 2.99Å; W236-F239 PolarHBondContact O-N 2.97Å; A237-F239 PolarHBondContact O-N 3.18Å; F239-Q242 PolarHBondContact O-N 2.93Å; F239-V243 WeakPolarHBondContact O-CG2 3.49Å; F239-V243 PolarHBondContact O-N 3.24Å
240	W	82.8	Confident	73.5	Confident	42 Å²	42	71 Å²	71	16%	0.159	36%	0.355	C	S	.	.	H	α-helix	trans	-58	-51.4	175.1	-177.3	-94.3	0	0	0	111.7	E198 L199 F202 W236 A237 Q242 V243 M244	E198-W240 HydrophobicContact CB-CH2 3.92Å; E198-W240 HydrophobicContact CB-CZ2 3.5Å; E198-W240 VanDerWaalsContact CB-CZ2 3.5Å; L199-W240 HydrophobicContact CB-CD2 4.41Å; L199-W240 HydrophobicContact CB-CG 4.34Å; L199-W240 HydrophobicContact CD1-CB 3.85Å; L199-W240 HydrophobicContact CD1-CD2 4.2Å; L199-W240 HydrophobicContact CD1-CG 3.78Å; L199-W240 HydrophobicContact CG-CG 4.48Å; F202-W240 HydrophobicContact CB-CE3 4.34Å; F202-W240 HydrophobicContact CB-CZ3 3.99Å; F202-W240 AromaticContact CD1-CE3 3.74Å; F202-W240 HydrophobicContact CD1-CE3 3.74Å; F202-W240 HydrophobicContact CD1-CZ3 4.12Å; F202-W240 HydrophobicContact CD2-CE3 4.47Å; F202-W240 HydrophobicContact CD2-CZ3 4.12Å; F202-W240 HydrophobicContact CE1-CE3 4.06Å; F202-W240 AromaticContact CG-CE3 3.95Å; F202-W240 HydrophobicContact CG-CE3 3.95Å; F202-W240 AromaticContact CG-CZ3 3.83Å; F202-W240 HydrophobicContact CG-CZ3 3.83Å; W236-W240 WeakPolarHBondContact O-CB 3.48Å; W236-W240 PolarHBondContact O-N 3.28Å; A237-W240 WeakPolarHBondContact O-CB 3.33Å; A237-W240 PolarHBondContact O-N 2.86Å; W240-Q242 VanDerWaalsContact C-N 3.3Å; W240-Q242 PolarHBondContact O-N 3.43Å; W240-V243 PolarHBondContact O-N 3.04Å; W240-V243 VanDerWaalsContact O-N 3.13Å; W240-M244 HydrophobicContact CD2-CG 4.36Å; W240-M244 HydrophobicContact CG-CG 4.37Å; W240-M244 HydrophobicContact CZ2-CE 3.84Å; W240-M244 HydrophobicContact CZ2-CG 4.31Å; W240-M244 HydrophobicContact CZ2-SD 3.94Å; W240-M244 WeakPolarHBondContact O-CG 3.21Å; W240-M244 PolarHBondContact O-N 2.95Å
241	V	78.8	Confident	74	Confident	37 Å²	37	71 Å²	71	22%	0.224	36%	0.364	C	S	.	.	H	α-helix	trans	-55.9	-43.6	175.9	172.8	0	0	0	0	111.8	Y16 A237 V243 M244 R245	Y16-V241 HydrophobicContact CD1-CG2 3.49Å; Y16-V241 VanDerWaalsContact CD1-CG2 3.49Å; Y16-V241 HydrophobicContact CE1-CG2 3.58Å; A237-V241 WeakPolarHBondContact O-CG2 3.41Å; A237-V241 PolarHBondContact O-N 2.94Å; V241-V243 PolarHBondContact O-N 3.12Å; V241-M244 PolarHBondContact O-N 3.5Å; V241-R245 WeakPolarHBondContact O-CB 3.19Å; V241-R245 PolarHBondContact O-N 3.5Å
242	Q	78.3	Confident	73.9	Confident	102 Å²	102	76 Å²	76	48%	0.477	38%	0.383	S	S	.	.	H	α-helix	trans	-64.5	-39.7	178.5	-69.7	174.1	20.8	0	0	112.6	R238 F239 W240 G246	R238-Q242 WeakPolarHBondContact O-CG 3.44Å; R238-Q242 PolarHBondContact O-N 3.31Å; F239-Q242 PolarHBondContact O-N 2.93Å; W240-Q242 VanDerWaalsContact C-N 3.3Å; W240-Q242 PolarHBondContact O-N 3.43Å; Q242-G246 PolarHBondContact O-N 3.24Å
243	V	80.1	Confident	73.1	Confident	85 Å²	85	75.6 Å²	75.6	52%	0.515	39%	0.385	S	S	.	.	H	α-helix	trans	-68.7	-47.9	176.4	170.3	0	0	0	0	111	F239 W240 V241 R245 G246 L247	F239-V243 WeakPolarHBondContact O-CG2 3.49Å; F239-V243 PolarHBondContact O-N 3.24Å; W240-V243 PolarHBondContact O-N 3.04Å; W240-V243 VanDerWaalsContact O-N 3.13Å; V241-V243 PolarHBondContact O-N 3.12Å; V243-R245 PolarHBondContact O-N 3.32Å; V243-G246 PolarHBondContact O-N 3.45Å; V243-G246 VanDerWaalsContact O-N 3.11Å; V243-L247 HydrophobicContact CG1-CD1 4.01Å; V243-L247 HydrophobicContact CG1-CG 4.39Å; V243-L247 WeakPolarHBondContact O-CG 3.49Å; V243-L247 PolarHBondContact O-N 2.95Å
244	M	76.2	Confident	72.1	Confident	11 Å²	11	79.8 Å²	79.8	5%	0.054	40%	0.398	C	S	.	.	H	α-helix	trans	-60.6	-45.5	179.8	-65.4	-60	-98.7	0	0	111.2	E195 E198 W240 V241 G246 L247 R248 P272	E195-M244 HydrophobicContact CG-CE 3.84Å; E198-M244 VanDerWaalsContact OE2-CE 3.3Å; E198-M244 WeakPolarHBondContact OE2-CE 3.36Å; W240-M244 HydrophobicContact CD2-CG 4.36Å; W240-M244 HydrophobicContact CG-CG 4.37Å; W240-M244 HydrophobicContact CZ2-CE 3.84Å; W240-M244 HydrophobicContact CZ2-CG 4.31Å; W240-M244 HydrophobicContact CZ2-SD 3.94Å; W240-M244 WeakPolarHBondContact O-CG 3.21Å; W240-M244 PolarHBondContact O-N 2.95Å; V241-M244 PolarHBondContact O-N 3.5Å; M244-G246 PolarHBondContact O-N 2.65Å; M244-L247 PolarHBondContact O-N 3.13Å; M244-L247 HydrophobicContact SD-CD1 4.3Å; M244-R248 WeakPolarHBondContact O-CG 3.32Å; M244-R248 PolarHBondContact O-N 3.28Å; M244-P272 HydrophobicContact CB-CG 4.49Å; M244-P272 HydrophobicContact CE-CG 3.79Å; M244-P272 HydrophobicContact SD-CG 3.97Å
245	R	75.5	Confident	71	Confident	134 Å²	134	88.9 Å²	88.9	51%	0.506	44%	0.435	S	S	.	.	H	α-helix	trans	-58	-45.7	171.8	-178.6	172.8	62.4	-147.5	-2.7	112.2	V241 V243 L247 R248 E249	V241-R245 WeakPolarHBondContact O-CB 3.19Å; V241-R245 PolarHBondContact O-N 3.5Å; V243-R245 PolarHBondContact O-N 3.32Å; R245-L247 VanDerWaalsContact C-N 3.27Å; R245-L247 PolarHBondContact O-N 3.04Å; R245-R248 PolarHBondContact O-N 2.9Å; R245-R248 VanDerWaalsContact O-N 3.17Å; R245-E249 HydrophobicContact CG-CG 4.45Å; R245-E249 PolarHBondContact O-N 3.22Å
246	G	72.8	Confident	69.5	Low	41 Å²	41	91.7 Å²	91.7	42%	0.423	45%	0.453	S	S	.	.	H	α-helix	trans	-61.5	-32.4	177.4	0	0	0	0	0	113.9	Q242 V243 M244 G250	Q242-G246 PolarHBondContact O-N 3.24Å; V243-G246 PolarHBondContact O-N 3.45Å; V243-G246 VanDerWaalsContact O-N 3.11Å; M244-G246 PolarHBondContact O-N 2.65Å; G246-G250 PolarHBondContact O-N 2.83Å; G246-G250 VanDerWaalsContact O-N 3.14Å
247	L	73.6	Confident	67.5	Low	102 Å²	102	96.5 Å²	96.5	53%	0.534	48%	0.479	S	S	.	.	H	α-helix	trans	-73.1	-40.4	173.1	-67.2	170.4	0	0	0	111.9	V243 M244 R245 G250 P272	V243-L247 HydrophobicContact CG1-CD1 4.01Å; V243-L247 HydrophobicContact CG1-CG 4.39Å; V243-L247 WeakPolarHBondContact O-CG 3.49Å; V243-L247 PolarHBondContact O-N 2.95Å; M244-L247 PolarHBondContact O-N 3.13Å; M244-L247 HydrophobicContact SD-CD1 4.3Å; R245-L247 VanDerWaalsContact C-N 3.27Å; R245-L247 PolarHBondContact O-N 3.04Å; L247-G250 PolarHBondContact O-N 3.31Å; L247-P272 HydrophobicContact CB-CB 3.63Å; L247-P272 HydrophobicContact CB-CG 4.42Å; L247-P272 HydrophobicContact CD1-CB 4.24Å
248	R	71.6	Confident	65.9	Low	34 Å²	34	105.7 Å²	105.7	13%	0.128	52%	0.522	C	S	.	.	H	α-helix	trans	-64.8	-41.1	175.7	-67.9	-178.3	176.1	-69.5	12.2	112.5	E195 M244 R245 E267 L270 P272 M275	E195-R248 IonicContact OE1-CZ 2.72Å; E195-R248 VanDerWaalsContact OE1-CZ 3.28Å; E195-R248 IonicContact OE1-NE 3.9Å; E195-R248 PolarHBondContact OE1-NE 3.38Å; E195-R248 IonicContact OE1-NH2 3.99Å; E195-R248 PolarHBondContact OE1-NH2 3.48Å; M244-R248 WeakPolarHBondContact O-CG 3.32Å; M244-R248 PolarHBondContact O-N 3.28Å; R245-R248 PolarHBondContact O-N 2.9Å; R245-R248 VanDerWaalsContact O-N 3.17Å; R248-E267 VanDerWaalsContact CZ-O 3.23Å; R248-E267 PolarHBondContact NH1-O 2.71Å; R248-L270 PolarHBondContact NH1-O 3.47Å; R248-L270 PolarHBondContact NH2-O 2.83Å; R248-P272 HydrophobicContact CG-CB 4.32Å; R248-P272 HydrophobicContact CG-CG 3.79Å; R248-M275 HydrophobicContact CG-SD 4.29Å
249	E	71.6	Confident	64.3	Low	105 Å²	105	110.3 Å²	110.3	49%	0.491	54%	0.539	S	S	.	.	H	α-helix	trans	-70.7	-32.3	175.8	-76.7	-165.4	-122.6	0	0	113.8	R245 K252	R245-E249 HydrophobicContact CG-CG 4.45Å; R245-E249 PolarHBondContact O-N 3.22Å; E249-K252 VanDerWaalsContact O-CE 3.23Å; E249-K252 WeakPolarHBondContact O-CE 3.31Å; E249-K252 IonicContact OE2-NZ 2.88Å; E249-K252 PolarHBondContact OE2-NZ 3.29Å
250	G	65.4	Low	62.4	Low	37 Å²	37	114.8 Å²	114.8	38%	0.381	56%	0.561	S	S	.	*			trans	71.2	163	179.2	0	0	0	0	0	115.6	G246 L247 K252	G246-G250 PolarHBondContact O-N 2.83Å; G246-G250 VanDerWaalsContact O-N 3.14Å; L247-G250 PolarHBondContact O-N 3.31Å; G250-K252 PolarHBondContact O-N 3.47Å
251	V	61.4	Low	60.5	Low	136 Å²	136	119.1 Å²	119.1	82%	0.824	58%	0.579	S	S	*	*			trans	-79.4	89.8	177.1	-176.8	0	0	0	0	109.9	L253	V251-L253 PolarHBondContact O-N 2.93Å
252	K	55.5	Low	58.5	Low	153 Å²	153	123 Å²	123	67%	0.665	60%	0.598	S	S	*	*			trans	-62.2	86.8	-179.1	-68.4	160.5	-174	160	0	112	E249 G250	E249-K252 VanDerWaalsContact O-CE 3.23Å; E249-K252 WeakPolarHBondContact O-CE 3.31Å; E249-K252 IonicContact OE2-NZ 2.88Å; E249-K252 PolarHBondContact OE2-NZ 3.29Å; G250-K252 PolarHBondContact O-N 3.47Å
253	L	48.7	Very low	57.2	Low	128 Å²	128	122.7 Å²	122.7	67%	0.67	61%	0.605	S	S	*	*			trans	-63.3	133.7	176.8	-67.2	178.7	0	0	0	111.1	V251 K255 V256	V251-L253 PolarHBondContact O-N 2.93Å; L253-K255 PolarHBondContact O-N 2.87Å; L253-V256 PolarHBondContact O-N 3.23Å
254	K	48.7	Very low	55.6	Low	195 Å²	195	122.5 Å²	122.5	85%	0.848	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.8	25.3	-170.4	-153.2	178.6	-178.6	175.3	0	116.7
255	K	48.3	Very low	54.2	Low	206 Å²	206	125 Å²	125	90%	0.896	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-139.3	3.4	173.2	-85.8	-161.2	170.7	-166.3	0	113.9	L253	L253-K255 PolarHBondContact O-N 2.87Å
256	V	46.7	Very low	53	Low	102 Å²	102	122 Å²	122	62%	0.618	61%	0.611	S	S	*	*			trans	-121.6	56.5	175.3	-165.3	0	0	0	0	108.7	L253	L253-V256 PolarHBondContact O-N 3.23Å
257	Q	41.3	Very low	52.2	Low	175 Å²	175	123.9 Å²	123.9	82%	0.818	61%	0.609	S	S	*	*			trans	-99	8.1	-173.9	-156.5	155.8	11.4	0	0	112.6
258	E	45	Very low	51.5	Low	192 Å²	192	120.4 Å²	120.4	90%	0.897	59%	0.589	S	S	*	*			trans	-132.4	41.7	-167.7	-159.9	168.8	-114.8	0	0	111
259	R	47.5	Very low	51.1	Low	193 Å²	193	124.2 Å²	124.2	73%	0.728	61%	0.608	S	S	*	*			trans	-133	105.2	162.1	-76.8	-171	173.4	-175.5	-5.3	108.4	Y261	R259-Y261 PolarHBondContact O-N 3.29Å; R259-Y261 VanDerWaalsContact O-N 3.08Å
260	Q	41.7	Very low	50.7	Low	200 Å²	200	121.2 Å²	121.2	94%	0.935	60%	0.595	S	S	*	*			trans	-64.3	105.4	160.7	-74.1	172.9	-48.9	0	0	107.3	N262	Q260-N262 PolarHBondContact O-N 3.03Å
261	Y	42.5	Very low	50.9	Low	134 Å²	134	119.7 Å²	119.7	53%	0.525	58%	0.579	S	S	.	*			trans	-66.9	122.9	155	-80.4	-97	0	0	0	106.3	R259 P263 I266	R259-Y261 PolarHBondContact O-N 3.29Å; R259-Y261 VanDerWaalsContact O-N 3.08Å; Y261-P263 WeakPolarHBondContact O-CD 3.44Å; Y261-I266 HydrophobicContact CD1-CD1 4.09Å
262	N	36.8	Very low	51.2	Low	117 Å²	117	113.7 Å²	113.7	63%	0.626	54%	0.543	S	S	*	.			trans	-67	114.6	177.4	-159.6	10.2	0	0	0	107.1	Q260 L264 P265	Q260-N262 PolarHBondContact O-N 3.03Å; N262-L264 PolarHBondContact O-N 3.39Å; N262-L264 VanDerWaalsContact O-N 3.15Å; N262-P265 WeakPolarHBondContact O-CD 3.03Å
263	P	49.3	Very low	51.9	Low	96 Å²	96	113.3 Å²	113.3	62%	0.623	54%	0.538	S	S	*	.	H	α-helix	trans	-71.4	-17.2	-156.7	24	-33.4	0	0	0	114.6	Y261	Y261-P263 WeakPolarHBondContact O-CD 3.44Å
264	L	47	Very low	53.2	Low	81 Å²	81	111 Å²	111	42%	0.424	52%	0.524	S	S	.	.	H	α-helix	trans	-88.4	-25.7	-158.9	-73.8	144.9	0	0	0	117.3	P176 H184 N262	P176-L264 HydrophobicContact CG-CD1 3.99Å; H184-L264 PolarHBondContact CE1-O 3.23Å; H184-L264 VanDerWaalsContact CE1-O 3.3Å; N262-L264 PolarHBondContact O-N 3.39Å; N262-L264 VanDerWaalsContact O-N 3.15Å
265	P	48.4	Very low	54.4	Low	65 Å²	65	103.3 Å²	103.3	42%	0.422	49%	0.491	S	S	.	.	H	α-helix	trans	-102.9	-27	178.5	-4.2	24.4	0	0	0	115.7	N262 Q269	N262-P265 WeakPolarHBondContact O-CD 3.03Å; P265-Q269 WeakPolarHBondContact O-CB 3.36Å
266	I	48.6	Very low	55.5	Low	70 Å²	70	98 Å²	98	36%	0.359	47%	0.472	S	S	.	.	H	α-helix	trans	-81.9	-32.6	-164.3	-62.8	173.8	0	0	0	112.5	Y261 Y268 Q269 M275	Y261-I266 HydrophobicContact CD1-CD1 4.09Å; I266-Y268 PolarHBondContact O-N 2.95Å; I266-Q269 PolarHBondContact O-N 2.88Å; I266-M275 HydrophobicContact CG2-CE 4.43Å
267	E	56.4	Low	56.8	Low	81 Å²	81	96.2 Å²	96.2	38%	0.379	46%	0.458	S	S	.	.	H	α-helix	trans	-59.7	-33.7	-173.5	-175.4	168.7	-131.8	0	0	113	R248	R248-E267 VanDerWaalsContact CZ-O 3.23Å; R248-E267 PolarHBondContact NH1-O 2.71Å
268	Y	60.1	Low	58.4	Low	29 Å²	29	89.5 Å²	89.5	11%	0.114	43%	0.427	C	S	.	.	H	α-helix	trans	-108.6	-10.5	-174.9	-59.9	-77.5	0	0	0	114.2	N21 E23 A187 V188 A191 I266	N21-Y268 PolarHBondContact ND2-OH 2.82Å; N21-Y268 VanDerWaalsContact ND2-OH 3.08Å; E23-Y268 HydrophobicContact CB-CE2 4.43Å; E23-Y268 HydrophobicContact CG-CD2 4.43Å; E23-Y268 HydrophobicContact CG-CE2 4.03Å; A187-Y268 CarbonylContact C-O 3.56Å; V188-Y268 HydrophobicContact CB-CD1 4.28Å; V188-Y268 HydrophobicContact CB-CG 4.25Å; V188-Y268 HydrophobicContact CG1-CD1 4.06Å; V188-Y268 HydrophobicContact CG1-CE1 4.41Å; V188-Y268 HydrophobicContact CG1-CG 4.44Å; V188-Y268 HydrophobicContact CG2-CD1 4.08Å; V188-Y268 HydrophobicContact CG2-CD2 3.96Å; V188-Y268 HydrophobicContact CG2-CG 3.62Å; A191-Y268 HydrophobicContact CB-CD1 4.43Å; I266-Y268 PolarHBondContact O-N 2.95Å
269	Q	61.3	Low	59.8	Low	114 Å²	114	81.5 Å²	81.5	53%	0.533	39%	0.391	S	S	.	.	H	α-helix	trans	-70.2	-33.9	-179.5	-170.4	167.5	69	0	0	112.7	R190 P265 I266	R190-Q269 PolarHBondContact NH2-O 3.45Å; P265-Q269 WeakPolarHBondContact O-CB 3.36Å; I266-Q269 PolarHBondContact O-N 2.88Å
270	L	63.9	Low	60.8	Low	41 Å²	41	76.8 Å²	76.8	22%	0.215	38%	0.379	C	S	.	.	S	Bend	trans	-132.8	145.9	-175.6	-60.1	178.7	0	0	0	110.7	R248 E274 M275 D278	R248-L270 PolarHBondContact NH1-O 3.47Å; R248-L270 PolarHBondContact NH2-O 2.83Å; L270-E274 HydrophobicContact CB-CB 3.92Å; L270-E274 HydrophobicContact CD2-CB 4.08Å; L270-E274 HydrophobicContact CG-CB 4.44Å; L270-M275 HydrophobicContact CB-CG 3.72Å; L270-M275 HydrophobicContact CD1-CG 4.31Å; L270-D278 HydrophobicContact CD1-CB 4.37Å
271	T	68.8	Low	62.6	Low	6 Å²	6	75 Å²	75	4%	0.037	36%	0.364	C	S	.	.			trans	-65.4	162.1	163.2	58.1	0	0	0	0	111.1	T194 Y273 E274 M275	T194-T271 WeakPolarHBondContact OG1-CG2 3.36Å; T271-Y273 PolarHBondContact O-N 3.28Å; T271-E274 WeakPolarHBondContact CB-OE2 3.39Å; T271-E274 WeakPolarHBondContact CG2-OE2 3.36Å; T271-E274 PolarHBondContact N-OE2 3.17Å; T271-E274 PolarHBondContact O-N 2.89Å; T271-E274 WeakPolarHBondContact OG1-CB 3.23Å; T271-E274 VanDerWaalsContact OG1-CD 3.29Å; T271-E274 WeakPolarHBondContact OG1-CG 3.43Å; T271-E274 PolarHBondContact OG1-N 2.94Å; T271-E274 VanDerWaalsContact OG1-N 3.16Å; T271-E274 PolarHBondContact OG1-OE2 2.92Å; T271-M275 WeakPolarHBondContact O-CG 3.18Å; T271-M275 PolarHBondContact O-N 3.39Å
272	P	69.2	Low	64.2	Low	10 Å²	10	71.9 Å²	71.9	7%	0.065	36%	0.361	C	S	.	.	H	α-helix	trans	-63	-28.4	179.4	-18.4	32.3	0	0	0	112.6	M244 L247 R248 L276	M244-P272 HydrophobicContact CB-CG 4.49Å; M244-P272 HydrophobicContact CE-CG 3.79Å; M244-P272 HydrophobicContact SD-CG 3.97Å; L247-P272 HydrophobicContact CB-CB 3.63Å; L247-P272 HydrophobicContact CB-CG 4.42Å; L247-P272 HydrophobicContact CD1-CB 4.24Å; R248-P272 HydrophobicContact CG-CB 4.32Å; R248-P272 HydrophobicContact CG-CG 3.79Å; P272-L276 WeakPolarHBondContact O-CB 3.21Å; P272-L276 PolarHBondContact O-N 3.41Å
273	Y	70.1	Confident	65.9	Low	145 Å²	145	74.5 Å²	74.5	57%	0.569	37%	0.368	S	S	*	.	H	α-helix	trans	-67.8	-47.4	170.4	173.2	-107.7	0	0	0	112	T271 M275 L276 M277	T271-Y273 PolarHBondContact O-N 3.28Å; Y273-M275 PolarHBondContact O-N 3.33Å; Y273-L276 PolarHBondContact O-N 3.07Å; Y273-M277 HydrophobicContact CD1-CG 4.36Å; Y273-M277 HydrophobicContact CD2-CG 4.02Å; Y273-M277 HydrophobicContact CE1-CG 3.96Å; Y273-M277 HydrophobicContact CE2-CG 3.57Å; Y273-M277 HydrophobicContact CE2-SD 4.04Å; Y273-M277 HydrophobicContact CG-CG 4.4Å; Y273-M277 WeakPolarHBondContact O-CB 3.18Å; Y273-M277 VanDerWaalsContact O-CG 3.31Å; Y273-M277 WeakPolarHBondContact O-CG 3.39Å; Y273-M277 PolarHBondContact O-N 3.47Å
274	E	75.4	Confident	66.7	Low	79 Å²	79	75.6 Å²	75.6	37%	0.369	36%	0.359	S	S	.	.	H	α-helix	trans	-65.7	-36.1	177.7	-71.9	165.2	125.4	0	0	112.7	L270 T271 M277 D278	L270-E274 HydrophobicContact CB-CB 3.92Å; L270-E274 HydrophobicContact CD2-CB 4.08Å; L270-E274 HydrophobicContact CG-CB 4.44Å; T271-E274 WeakPolarHBondContact CB-OE2 3.39Å; T271-E274 WeakPolarHBondContact CG2-OE2 3.36Å; T271-E274 PolarHBondContact N-OE2 3.17Å; T271-E274 PolarHBondContact O-N 2.89Å; T271-E274 WeakPolarHBondContact OG1-CB 3.23Å; T271-E274 VanDerWaalsContact OG1-CD 3.29Å; T271-E274 WeakPolarHBondContact OG1-CG 3.43Å; T271-E274 PolarHBondContact OG1-N 2.94Å; T271-E274 VanDerWaalsContact OG1-N 3.16Å; T271-E274 PolarHBondContact OG1-OE2 2.92Å; E274-M277 PolarHBondContact O-N 2.99Å; E274-D278 WeakPolarHBondContact O-CB 3.2Å; E274-D278 PolarHBondContact O-N 2.98Å
275	M	73.2	Confident	67.5	Low	33 Å²	33	77.8 Å²	77.8	16%	0.163	36%	0.363	C	S	.	.	H	α-helix	trans	-56.4	-50.5	171	-69.8	172.6	68	0	0	110.7	R248 I266 L270 T271 Y273 D278 D279	R248-M275 HydrophobicContact CG-SD 4.29Å; I266-M275 HydrophobicContact CG2-CE 4.43Å; L270-M275 HydrophobicContact CB-CG 3.72Å; L270-M275 HydrophobicContact CD1-CG 4.31Å; T271-M275 WeakPolarHBondContact O-CG 3.18Å; T271-M275 PolarHBondContact O-N 3.39Å; Y273-M275 PolarHBondContact O-N 3.33Å; M275-D278 PolarHBondContact O-N 3.08Å; M275-D279 PolarHBondContact O-N 3.34Å
276	L	73.1	Confident	68	Low	94 Å²	94	85 Å²	85	49%	0.492	39%	0.387	S	S	.	.	H	α-helix	trans	-64.7	-40.9	177.8	177.7	61.3	0	0	0	112.2	P272 Y273 D279 I280	P272-L276 WeakPolarHBondContact O-CB 3.21Å; P272-L276 PolarHBondContact O-N 3.41Å; Y273-L276 PolarHBondContact O-N 3.07Å; L276-D279 WeakPolarHBondContact O-CB 3.32Å; L276-D279 PolarHBondContact O-N 2.79Å; L276-I280 HydrophobicContact CD1-CD1 4.1Å; L276-I280 HydrophobicContact CD1-CG1 4.44Å; L276-I280 HydrophobicContact CG-CD1 4Å; L276-I280 WeakPolarHBondContact O-CB 3.36Å; L276-I280 WeakPolarHBondContact O-CD1 3.3Å; L276-I280 VanDerWaalsContact O-CG1 3.23Å; L276-I280 WeakPolarHBondContact O-CG1 3.45Å; L276-I280 PolarHBondContact O-N 3.06Å
277	M	73.6	Confident	68.4	Low	65 Å²	65	88.1 Å²	88.1	32%	0.32	40%	0.404	S	S	.	.	H	α-helix	trans	-71.3	-30.6	178.8	-71.4	-62.1	-74.5	0	0	112.5	Y273 E274 I280 R281	Y273-M277 HydrophobicContact CD1-CG 4.36Å; Y273-M277 HydrophobicContact CD2-CG 4.02Å; Y273-M277 HydrophobicContact CE1-CG 3.96Å; Y273-M277 HydrophobicContact CE2-CG 3.57Å; Y273-M277 HydrophobicContact CE2-SD 4.04Å; Y273-M277 HydrophobicContact CG-CG 4.4Å; Y273-M277 WeakPolarHBondContact O-CB 3.18Å; Y273-M277 VanDerWaalsContact O-CG 3.31Å; Y273-M277 WeakPolarHBondContact O-CG 3.39Å; Y273-M277 PolarHBondContact O-N 3.47Å; E274-M277 PolarHBondContact O-N 2.99Å; M277-I280 HydrophobicContact SD-CD1 4.24Å; M277-R281 WeakPolarHBondContact O-CB 3.49Å; M277-R281 WeakPolarHBondContact O-CG 3.47Å; M277-R281 PolarHBondContact O-N 3.08Å; M277-R281 PolarHBondContact O-NE 2.86Å
278	D	74.6	Confident	68.3	Low	34 Å²	34	95.5 Å²	95.5	18%	0.182	43%	0.428	C	S	.	.	H	α-helix	trans	-69.5	-46.5	166.3	178.8	28.2	0	0	0	111.6	L270 E274 M275 I280 R281 S282 R284	L270-D278 HydrophobicContact CD1-CB 4.37Å; E274-D278 WeakPolarHBondContact O-CB 3.2Å; E274-D278 PolarHBondContact O-N 2.98Å; M275-D278 PolarHBondContact O-N 3.08Å; D278-I280 PolarHBondContact O-N 3.25Å; D278-I280 VanDerWaalsContact O-N 3.15Å; D278-R281 PolarHBondContact O-N 3.5Å; D278-R281 VanDerWaalsContact O-N 3.16Å; D278-S282 WeakPolarHBondContact O-CA 3.42Å; D278-S282 WeakPolarHBondContact O-CB 3.41Å; D278-S282 PolarHBondContact O-N 3.08Å; D278-S282 PolarHBondContact O-OG 2.99Å; D278-S282 PolarHBondContact OD1-OG 2.86Å; D278-R284 VanDerWaalsContact CG-NH1 3.34Å; D278-R284 VanDerWaalsContact CG-NH2 3.34Å; D278-R284 IonicContact OD1-NH1 3.53Å; D278-R284 IonicContact OD2-CZ 3.14Å; D278-R284 IonicContact OD2-NH1 2.67Å; D278-R284 PolarHBondContact OD2-NH1 2.98Å; D278-R284 IonicContact OD2-NH2 2.79Å; D278-R284 PolarHBondContact OD2-NH2 2.88Å
279	D	73.6	Confident	67.8	Low	25 Å²	25	103.1 Å²	103.1	13%	0.134	46%	0.462	C	S	.	.	H	α-helix	trans	-52.5	-39.3	174.2	-79.2	-27.8	0	0	0	112.7	M275 L276 K283 R284 Y285	M275-D279 PolarHBondContact O-N 3.34Å; L276-D279 WeakPolarHBondContact O-CB 3.32Å; L276-D279 PolarHBondContact O-N 2.79Å; D279-K283 CarbonylContact O-C 3.52Å; D279-K283 WeakPolarHBondContact O-CA 3.43Å; D279-K283 PolarHBondContact O-N 2.8Å; D279-K283 VanDerWaalsContact O-N 3.11Å; D279-R284 PolarHBondContact O-N 3.03Å; D279-R284 IonicContact OD1-CZ 2.73Å; D279-R284 IonicContact OD1-NE 3.24Å; D279-R284 PolarHBondContact OD1-NE 3.34Å; D279-R284 IonicContact OD1-NH2 3.02Å; D279-R284 PolarHBondContact OD1-NH2 3.16Å; D279-Y285 HydrophobicContact CB-CD2 4.07Å; D279-Y285 HydrophobicContact CB-CE2 3.87Å; D279-Y285 WeakPolarHBondContact OD2-CE2 3.37Å
280	I	70.2	Confident	67.7	Low	93 Å²	93	103.3 Å²	103.3	48%	0.477	47%	0.471	S	S	.	.	H	α-helix	trans	-71	-52.7	175.9	-69.5	164.5	0	0	0	111.4	L276 M277 D278 K283	L276-I280 HydrophobicContact CD1-CD1 4.1Å; L276-I280 HydrophobicContact CD1-CG1 4.44Å; L276-I280 HydrophobicContact CG-CD1 4Å; L276-I280 WeakPolarHBondContact O-CB 3.36Å; L276-I280 WeakPolarHBondContact O-CD1 3.3Å; L276-I280 VanDerWaalsContact O-CG1 3.23Å; L276-I280 WeakPolarHBondContact O-CG1 3.45Å; L276-I280 PolarHBondContact O-N 3.06Å; M277-I280 HydrophobicContact SD-CD1 4.24Å; D278-I280 PolarHBondContact O-N 3.25Å; D278-I280 VanDerWaalsContact O-N 3.15Å; I280-K283 PolarHBondContact O-N 3Å; I280-K283 VanDerWaalsContact O-N 3.13Å
281	R	77.8	Confident	67	Low	163 Å²	163	106.6 Å²	106.6	62%	0.615	49%	0.487	S	S	*	.	H	α-helix	trans	-61.3	-48.5	-179.3	-76.3	174.8	-65.4	163.3	1	111.9	M277 D278 K283	M277-R281 WeakPolarHBondContact O-CB 3.49Å; M277-R281 WeakPolarHBondContact O-CG 3.47Å; M277-R281 PolarHBondContact O-N 3.08Å; M277-R281 PolarHBondContact O-NE 2.86Å; D278-R281 PolarHBondContact O-N 3.5Å; D278-R281 VanDerWaalsContact O-N 3.16Å; R281-K283 PolarHBondContact O-N 2.93Å
282	S	76.3	Confident	66.2	Low	68 Å²	68	110.6 Å²	110.6	48%	0.476	51%	0.511	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	0.3	177	-62.6	0	0	0	0	113.2	D278 R284	D278-S282 WeakPolarHBondContact O-CA 3.42Å; D278-S282 WeakPolarHBondContact O-CB 3.41Å; D278-S282 PolarHBondContact O-N 3.08Å; D278-S282 PolarHBondContact O-OG 2.99Å; D278-S282 PolarHBondContact OD1-OG 2.86Å; S282-R284 PolarHBondContact O-N 2.57Å; S282-R284 VanDerWaalsContact O-N 3.11Å
283	K	73.8	Confident	65.2	Low	173 Å²	173	117.7 Å²	117.7	75%	0.752	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	33.4	174.3	-61.8	164.1	-171.6	163.6	0	113.4	D279 I280 R281 Y285	D279-K283 CarbonylContact O-C 3.52Å; D279-K283 WeakPolarHBondContact O-CA 3.43Å; D279-K283 PolarHBondContact O-N 2.8Å; D279-K283 VanDerWaalsContact O-N 3.11Å; I280-K283 PolarHBondContact O-N 3Å; I280-K283 VanDerWaalsContact O-N 3.13Å; R281-K283 PolarHBondContact O-N 2.93Å; K283-Y285 PolarHBondContact O-N 3.44Å; K283-Y285 VanDerWaalsContact O-N 3.13Å
284	R	65.8	Low	64.3	Low	118 Å²	118	113.5 Å²	113.5	45%	0.445	55%	0.549	S	S	.	.			trans	-64.3	-20.9	-173.1	-65.5	-160.5	-74.2	-115.7	-1.5	112.9	D278 D279 S282	D278-R284 VanDerWaalsContact CG-NH1 3.34Å; D278-R284 VanDerWaalsContact CG-NH2 3.34Å; D278-R284 IonicContact OD1-NH1 3.53Å; D278-R284 IonicContact OD2-CZ 3.14Å; D278-R284 IonicContact OD2-NH1 2.67Å; D278-R284 PolarHBondContact OD2-NH1 2.98Å; D278-R284 IonicContact OD2-NH2 2.79Å; D278-R284 PolarHBondContact OD2-NH2 2.88Å; D279-R284 PolarHBondContact O-N 3.03Å; D279-R284 IonicContact OD1-CZ 2.73Å; D279-R284 IonicContact OD1-NE 3.24Å; D279-R284 PolarHBondContact OD1-NE 3.34Å; D279-R284 IonicContact OD1-NH2 3.02Å; D279-R284 PolarHBondContact OD1-NH2 3.16Å; S282-R284 PolarHBondContact O-N 2.57Å; S282-R284 VanDerWaalsContact O-N 3.11Å
285	Y	64.3	Low	63.1	Low	128 Å²	128	115.6 Å²	115.6	50%	0.502	56%	0.563	S	S	.	*	S	Bend	trans	-113.5	125.8	171	-56.6	-68.8	0	0	0	112.8	D279 K283 L287	D279-Y285 HydrophobicContact CB-CD2 4.07Å; D279-Y285 HydrophobicContact CB-CE2 3.87Å; D279-Y285 WeakPolarHBondContact OD2-CE2 3.37Å; K283-Y285 PolarHBondContact O-N 3.44Å; K283-Y285 VanDerWaalsContact O-N 3.13Å; Y285-L287 PolarHBondContact O-N 3.11Å
286	K	58.9	Low	61.8	Low	215 Å²	215	120.7 Å²	120.7	94%	0.935	59%	0.589	S	S	*	*			trans	-77.4	73.5	168.7	-167	173.1	-175.1	173.3	0	110.1
287	L	55.8	Low	60.6	Low	137 Å²	137	119.5 Å²	119.5	72%	0.717	59%	0.587	S	S	*	*			trans	-51.1	145.3	173.2	-62.8	177.7	0	0	0	110.5	Y285 K289	Y285-L287 PolarHBondContact O-N 3.11Å; L287-K289 PolarHBondContact O-N 3.17Å
288	R	55.5	Low	59.7	Low	235 Å²	235	122.1 Å²	122.1	89%	0.887	61%	0.609	S	S	*	*			trans	-64.2	124.4	173.3	-59.4	-171.9	-166.6	-156.3	6.4	107.7	V290	R288-V290 PolarHBondContact O-N 2.89Å
289	K	49.8	Very low	58.7	Low	189 Å²	189	130.4 Å²	130.4	82%	0.822	64%	0.638	S	S	*	*			trans	-65.5	99.6	174.7	-70.9	-169.1	176.1	-170.3	0	109.3	L287 M291	L287-K289 PolarHBondContact O-N 3.17Å; K289-M291 VanDerWaalsContact C-N 3.28Å
290	V	57.9	Low	57.6	Low	118 Å²	118	136.3 Å²	136.3	72%	0.715	67%	0.668	S	S	*	*			trans	-75.9	-23.5	171.2	-177	0	0	0	0	110.8	R288 P297	R288-V290 PolarHBondContact O-N 2.89Å; V290-P297 WeakPolarHBondContact O-CD 3.4Å
291	M	48.9	Very low	56.9	Low	111 Å²	111	140.2 Å²	140.2	55%	0.547	68%	0.682	S	S	.	*			trans	-110	139.2	178.8	-57.3	171.9	78.9	0	0	110.8	K289 G294	K289-M291 VanDerWaalsContact C-N 3.28Å; M291-G294 WeakPolarHBondContact CE-O 3.37Å
292	V	51.7	Low	56	Low	90 Å²	90	136.4 Å²	136.4	55%	0.545	67%	0.67	S	S	.	*	B	Isolated β-bridge	trans	-123.5	114.6	165.9	178.1	0	0	0	0	106.3	G294	V292-G294 PolarHBondContact O-N 3.33Å
293	N	48.5	Very low	55.3	Low	159 Å²	159	135.7 Å²	135.7	85%	0.85	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	59.3	43.1	175.9	-52.8	-5.2	0	0	0	115	D295	N293-D295 VanDerWaalsContact C-N 3.26Å; N293-D295 PolarHBondContact O-N 3.45Å
294	G	51.9	Low	54.5	Low	57 Å²	57	130.8 Å²	130.8	59%	0.588	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	87.5	-36.1	172.9	0	0	0	0	0	114.7	M291 V292	M291-G294 WeakPolarHBondContact CE-O 3.37Å; V292-G294 PolarHBondContact O-N 3.33Å
295	D	50.2	Low	53.8	Low	123 Å²	123	131.2 Å²	131.2	66%	0.658	66%	0.663	S	S	*	*	B	Isolated β-bridge	trans	-80.9	149.8	178.9	-74.1	-44	0	0	0	113.7	N293	N293-D295 VanDerWaalsContact C-N 3.26Å; N293-D295 PolarHBondContact O-N 3.45Å
296	I	46.4	Very low	54.1	Low	139 Å²	139	129.7 Å²	129.7	71%	0.713	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-73.1	125.4	162.1	-60.8	174	0	0	0	107.2	P298	I296-P298 VanDerWaalsContact O-CD 3.32Å; I296-P298 WeakPolarHBondContact O-CD 3.39Å; I296-P298 VanDerWaalsContact O-N 3.11Å
297	P	46.5	Very low	54.6	Low	69 Å²	69	122.7 Å²	122.7	45%	0.448	64%	0.636	S	S	.	*	P	Polyproline II helix	trans	-55.8	117.2	-178.3	-28.1	35.8	0	0	0	112.3	V290 R299	V290-P297 WeakPolarHBondContact O-CD 3.4Å; P297-R299 PolarHBondContact O-N 2.95Å
298	P	55.3	Low	55.3	Low	120 Å²	120	120.8 Å²	120.8	78%	0.779	63%	0.626	S	S	*	*	S	Bend	trans	-79.4	39.5	-167.7	32	-37.5	0	0	0	113.6	I296	I296-P298 VanDerWaalsContact O-CD 3.32Å; I296-P298 WeakPolarHBondContact O-CD 3.39Å; I296-P298 VanDerWaalsContact O-N 3.11Å
299	R	53.3	Low	56	Low	208 Å²	208	111.6 Å²	111.6	79%	0.785	59%	0.594	S	S	*	*			trans	-142	42	-178.1	-67.3	-166	-179.3	-175.6	2.7	114.6	P297 K301	P297-R299 PolarHBondContact O-N 2.95Å; R299-K301 PolarHBondContact O-N 2.89Å
300	L	50.2	Low	56.9	Low	149 Å²	149	106.9 Å²	106.9	78%	0.78	57%	0.574	S	S	*	*			trans	-85.8	76.3	134.7	-78.2	173.4	0	0	0	107.9	K302	L300-K302 PolarHBondContact O-N 3.18Å
301	K	56.5	Low	57.4	Low	176 Å²	176	107.1 Å²	107.1	77%	0.765	57%	0.566	S	S	*	*			trans	-69.6	-4.3	176.1	-83	-161	171.3	-162.5	0	113.8	R299	R299-K301 PolarHBondContact O-N 2.89Å
302	K	59.4	Low	58.4	Low	82 Å²	82	106.8 Å²	106.8	36%	0.357	57%	0.566	S	S	.	*	S	Bend	trans	-134.3	136.8	174.5	-63.4	-175.4	-173.1	176.8	0	105.9	L300 E306 V307 E310	L300-K302 PolarHBondContact O-N 3.18Å; K302-E306 WeakPolarHBondContact CA-OE2 3.47Å; K302-E306 HydrophobicContact CB-CB 3.96Å; K302-V307 HydrophobicContact CB-CG2 3.87Å; K302-E310 IonicContact NZ-OE1 3.76Å; K302-E310 PolarHBondContact NZ-OE1 2.97Å; K302-E310 IonicContact NZ-OE2 3.16Å; K302-E310 PolarHBondContact NZ-OE2 3.02Å
303	S	61.1	Low	59.2	Low	54 Å²	54	111.3 Å²	111.3	38%	0.378	57%	0.573	S	S	.	*			trans	-58	156.6	172.4	60	0	0	0	0	110.8	H305 E306 V307	S303-H305 PolarHBondContact O-N 2.84Å; S303-E306 WeakPolarHBondContact CB-OE2 3.43Å; S303-E306 PolarHBondContact N-OE2 3.1Å; S303-E306 PolarHBondContact O-N 2.68Å; S303-E306 WeakPolarHBondContact OG-CB 3.46Å; S303-E306 VanDerWaalsContact OG-CG 3.26Å; S303-E306 WeakPolarHBondContact OG-CG 3.49Å; S303-E306 PolarHBondContact OG-N 2.82Å; S303-E306 PolarHBondContact OG-OE2 3.19Å; S303-V307 WeakPolarHBondContact O-CG2 3.24Å; S303-V307 PolarHBondContact O-N 3.41Å
304	A	57.4	Low	59.7	Low	69 Å²	69	107.6 Å²	107.6	57%	0.57	56%	0.559	S	S	*	*	H	α-helix	trans	-57.1	-33.9	174.4	0	0	0	0	0	111.5	V307 I308	A304-V307 PolarHBondContact O-N 3.14Å; A304-I308 WeakPolarHBondContact O-CD1 3.46Å; A304-I308 VanDerWaalsContact O-CG1 3.27Å; A304-I308 WeakPolarHBondContact O-CG1 3.35Å; A304-I308 PolarHBondContact O-N 3.02Å
305	H	51	Low	60.1	Low	128 Å²	128	111.5 Å²	111.5	59%	0.593	56%	0.556	S	S	*	*	H	α-helix	trans	-63.3	-47.5	172.7	-176.5	-137.9	0	0	0	112.5	S303 V307 I308 L309	S303-H305 PolarHBondContact O-N 2.84Å; H305-V307 PolarHBondContact O-N 3.02Å; H305-I308 PolarHBondContact O-N 2.72Å; H305-L309 WeakPolarHBondContact O-CB 3.25Å; H305-L309 WeakPolarHBondContact O-CG 3.32Å; H305-L309 PolarHBondContact O-N 2.77Å
306	E	70.7	Confident	60.4	Low	95 Å²	95	110.7 Å²	110.7	44%	0.444	56%	0.558	S	S	.	*	H	α-helix	trans	-63.2	-37.5	174.2	-78.3	168.3	106.8	0	0	113.2	K302 S303 I308 L309 E310	K302-E306 WeakPolarHBondContact CA-OE2 3.47Å; K302-E306 HydrophobicContact CB-CB 3.96Å; S303-E306 WeakPolarHBondContact CB-OE2 3.43Å; S303-E306 PolarHBondContact N-OE2 3.1Å; S303-E306 PolarHBondContact O-N 2.68Å; S303-E306 WeakPolarHBondContact OG-CB 3.46Å; S303-E306 VanDerWaalsContact OG-CG 3.26Å; S303-E306 WeakPolarHBondContact OG-CG 3.49Å; S303-E306 PolarHBondContact OG-N 2.82Å; S303-E306 PolarHBondContact OG-OE2 3.19Å; E306-I308 VanDerWaalsContact C-N 3.33Å; E306-L309 PolarHBondContact O-N 3.48Å; E306-E310 WeakPolarHBondContact O-CB 3.27Å; E306-E310 PolarHBondContact O-N 3.47Å
307	V	68.8	Low	60.9	Low	68 Å²	68	109.8 Å²	109.8	41%	0.412	56%	0.561	S	S	.	*	H	α-helix	trans	-65.6	-38.3	176.1	175.5	0	0	0	0	110.8	K302 S303 A304 H305 F311	K302-V307 HydrophobicContact CB-CG2 3.87Å; S303-V307 WeakPolarHBondContact O-CG2 3.24Å; S303-V307 PolarHBondContact O-N 3.41Å; A304-V307 PolarHBondContact O-N 3.14Å; H305-V307 PolarHBondContact O-N 3.02Å; V307-F311 VanDerWaalsContact O-CB 3.26Å; V307-F311 WeakPolarHBondContact O-CB 3.38Å; V307-F311 PolarHBondContact O-N 3.32Å
308	I	69.6	Low	61.2	Low	98 Å²	98	112.9 Å²	112.9	50%	0.503	57%	0.573	S	S	.	*	H	α-helix	trans	-68.4	-44.9	173.7	-69.8	164.3	0	0	0	110.9	A304 H305 E306 E310 F311 I312	A304-I308 WeakPolarHBondContact O-CD1 3.46Å; A304-I308 VanDerWaalsContact O-CG1 3.27Å; A304-I308 WeakPolarHBondContact O-CG1 3.35Å; A304-I308 PolarHBondContact O-N 3.02Å; H305-I308 PolarHBondContact O-N 2.72Å; E306-I308 VanDerWaalsContact C-N 3.33Å; I308-E310 PolarHBondContact O-N 3.32Å; I308-F311 CarbonylContact O-C 3.59Å; I308-F311 PolarHBondContact O-N 3.27Å; I308-I312 HydrophobicContact CG2-CD1 3.86Å; I308-I312 VanDerWaalsContact O-CG1 3.28Å; I308-I312 WeakPolarHBondContact O-CG1 3.49Å; I308-I312 PolarHBondContact O-N 3.09Å
309	L	69.9	Low	61.1	Low	41 Å²	41	112.8 Å²	112.8	22%	0.215	57%	0.566	C	S	.	*	H	α-helix	trans	-63.9	-39	176.4	-74.7	174.3	0	0	0	112.3	H305 E306 I312 R313	H305-L309 WeakPolarHBondContact O-CB 3.25Å; H305-L309 WeakPolarHBondContact O-CG 3.32Å; H305-L309 PolarHBondContact O-N 2.77Å; E306-L309 PolarHBondContact O-N 3.48Å; L309-I312 PolarHBondContact O-N 3.3Å; L309-R313 VanDerWaalsContact O-CB 3.27Å; L309-R313 WeakPolarHBondContact O-CB 3.45Å; L309-R313 WeakPolarHBondContact O-CD 3.32Å; L309-R313 WeakPolarHBondContact O-CG 3.2Å; L309-R313 PolarHBondContact O-N 2.96Å
310	E	69.8	Low	61.5	Low	90 Å²	90	106.7 Å²	106.7	42%	0.421	55%	0.553	S	S	.	*	H	α-helix	trans	-65.5	-42.1	172.7	-178.4	164	-113.6	0	0	110.5	K302 E306 I308 I312 R313 S314	K302-E310 IonicContact NZ-OE1 3.76Å; K302-E310 PolarHBondContact NZ-OE1 2.97Å; K302-E310 IonicContact NZ-OE2 3.16Å; K302-E310 PolarHBondContact NZ-OE2 3.02Å; E306-E310 WeakPolarHBondContact O-CB 3.27Å; E306-E310 PolarHBondContact O-N 3.47Å; I308-E310 PolarHBondContact O-N 3.32Å; E310-I312 VanDerWaalsContact C-N 3.28Å; E310-I312 PolarHBondContact O-N 3.28Å; E310-R313 PolarHBondContact O-N 3.5Å; E310-S314 WeakPolarHBondContact O-CB 3.23Å; E310-S314 PolarHBondContact O-N 3.16Å; E310-S314 PolarHBondContact O-OG 3.04Å
311	F	67.7	Low	61.6	Low	124 Å²	124	105 Å²	105	54%	0.544	55%	0.549	S	S	.	.	H	α-helix	trans	-65.5	-26	173.7	178.7	-113.3	0	0	0	113.9	V307 I308 R315	V307-F311 VanDerWaalsContact O-CB 3.26Å; V307-F311 WeakPolarHBondContact O-CB 3.38Å; V307-F311 PolarHBondContact O-N 3.32Å; I308-F311 CarbonylContact O-C 3.59Å; I308-F311 PolarHBondContact O-N 3.27Å; F311-R315 VanDerWaalsContact O-CG 3.31Å; F311-R315 WeakPolarHBondContact O-CG 3.41Å
312	I	69.6	Low	62	Low	104 Å²	104	102 Å²	102	53%	0.533	55%	0.55	S	S	.	*	H	α-helix	trans	-77.9	-49.6	171.8	-69.6	163.5	0	0	0	110.3	I308 L309 E310 R315	I308-I312 HydrophobicContact CG2-CD1 3.86Å; I308-I312 VanDerWaalsContact O-CG1 3.28Å; I308-I312 WeakPolarHBondContact O-CG1 3.49Å; I308-I312 PolarHBondContact O-N 3.09Å; L309-I312 PolarHBondContact O-N 3.3Å; E310-I312 VanDerWaalsContact C-N 3.28Å; E310-I312 PolarHBondContact O-N 3.28Å; I312-R315 PolarHBondContact O-N 2.85Å
313	R	69.1	Low	62.3	Low	184 Å²	184	101 Å²	101	69%	0.694	56%	0.557	S	S	*	*	H	α-helix	trans	-71.6	-27.1	-176.7	-68.8	164.6	-177.4	159	0.1	114	L309 E310	L309-R313 VanDerWaalsContact O-CB 3.27Å; L309-R313 WeakPolarHBondContact O-CB 3.45Å; L309-R313 WeakPolarHBondContact O-CD 3.32Å; L309-R313 WeakPolarHBondContact O-CG 3.2Å; L309-R313 PolarHBondContact O-N 2.96Å; E310-R313 PolarHBondContact O-N 3.5Å
314	S	59.8	Low	62.6	Low	81 Å²	81	105.2 Å²	105.2	57%	0.566	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.5	-1.5	178.6	61.6	0	0	0	0	114	E310 P316	E310-S314 WeakPolarHBondContact O-CB 3.23Å; E310-S314 PolarHBondContact O-N 3.16Å; E310-S314 PolarHBondContact O-OG 3.04Å; S314-P316 WeakPolarHBondContact O-CD 3.3Å
315	R	59.9	Low	62.9	Low	140 Å²	140	112 Å²	112	53%	0.528	58%	0.581	S	S	.	*	S	Bend	trans	-68.9	126	167.4	-61.8	-160.3	176	-161.2	-0.7	108.4	F311 I312	F311-R315 VanDerWaalsContact O-CG 3.31Å; F311-R315 WeakPolarHBondContact O-CG 3.41Å; I312-R315 PolarHBondContact O-N 2.85Å
316	P	55.8	Low	63.1	Low	105 Å²	105	112.9 Å²	112.9	68%	0.682	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-58.2	148.5	164.5	27.3	-33.6	0	0	0	108.8	S314 L318	S314-P316 WeakPolarHBondContact O-CD 3.3Å; P316-L318 PolarHBondContact O-N 3.47Å
317	P	58.4	Low	62.4	Low	120 Å²	120	117.7 Å²	117.7	78%	0.779	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-52.8	134.1	-178.5	21.4	-33	0	0	0	110.3	N319	P317-N319 PolarHBondContact O-N 3.15Å
318	L	51.2	Low	62.1	Low	135 Å²	135	120 Å²	120	71%	0.707	63%	0.625	S	S	*	*			trans	-62.9	110.9	-173.3	-70.2	175.4	0	0	0	109.9	P316	P316-L318 PolarHBondContact O-N 3.47Å
319	N	54.1	Low	61.3	Low	118 Å²	118	123.4 Å²	123.4	63%	0.631	64%	0.639	S	S	*	*			trans	-48.5	132.1	173.3	-89.7	-21	0	0	0	110.3	P317 A323	P317-N319 PolarHBondContact O-N 3.15Å; N319-A323 HydrophobicContact CB-CB 4.26Å
320	P	61.5	Low	60.7	Low	79 Å²	79	125.7 Å²	125.7	51%	0.513	66%	0.664	S	S	.	*			trans	-58.9	155.2	-176.2	24.7	-34.4	0	0	0	110.8	S322 A323	P320-S322 PolarHBondContact O-N 3.29Å; P320-S322 VanDerWaalsContact O-N 3.1Å; P320-A323 HydrophobicContact CG-CB 4.32Å; P320-A323 WeakPolarHBondContact O-CB 3.45Å; P320-A323 PolarHBondContact O-N 2.9Å
321	V	53.1	Low	60.3	Low	114 Å²	114	130 Å²	130	69%	0.691	69%	0.685	S	S	*	*	G	3₁₀ helix	trans	-56.8	-34.5	-171.7	-178.4	0	0	0	0	112	A323 R324	V321-A323 VanDerWaalsContact C-N 3.26Å; V321-A323 PolarHBondContact O-N 2.94Å; V321-R324 WeakPolarHBondContact O-CB 3.15Å; V321-R324 PolarHBondContact O-N 3.44Å; V321-R324 VanDerWaalsContact O-N 3.13Å
322	S	63.3	Low	60.2	Low	114 Å²	114	128.7 Å²	128.7	80%	0.797	69%	0.688	S	S	*	*	G	3₁₀ helix	trans	-59.1	-27.1	173.8	48.6	0	0	0	0	115	P320	P320-S322 PolarHBondContact O-N 3.29Å; P320-S322 VanDerWaalsContact O-N 3.1Å
323	A	65.6	Low	60.3	Low	60 Å²	60	128.6 Å²	128.6	50%	0.496	69%	0.694	S	S	.	*	G	3₁₀ helix	trans	-85.5	-4.9	178.5	0	0	0	0	0	113.4	N319 P320 V321 K325	N319-A323 HydrophobicContact CB-CB 4.26Å; P320-A323 HydrophobicContact CG-CB 4.32Å; P320-A323 WeakPolarHBondContact O-CB 3.45Å; P320-A323 PolarHBondContact O-N 2.9Å; V321-A323 VanDerWaalsContact C-N 3.26Å; V321-A323 PolarHBondContact O-N 2.94Å; A323-K325 PolarHBondContact O-N 2.92Å
324	R	67.6	Low	60.6	Low	143 Å²	143	122.4 Å²	122.4	54%	0.54	68%	0.678	S	S	.	*			trans	-84.2	107.8	175.2	-63.1	-175.1	-172.1	172.3	4.1	110	V321 L326	V321-R324 WeakPolarHBondContact O-CB 3.15Å; V321-R324 PolarHBondContact O-N 3.44Å; V321-R324 VanDerWaalsContact O-N 3.13Å; R324-L326 VanDerWaalsContact C-N 3.31Å; R324-L326 PolarHBondContact O-N 3.24Å
325	K	63.8	Low	61.6	Low	210 Å²	210	122.2 Å²	122.2	91%	0.913	67%	0.673	S	S	*	*			trans	-63.5	94.9	160.6	-70.6	-173.4	177.9	-177.9	0	108.6	A323	A323-K325 PolarHBondContact O-N 2.92Å
326	L	56.1	Low	62.2	Low	147 Å²	147	122.1 Å²	122.1	77%	0.77	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-58	141.5	171.7	-67.1	174.4	0	0	0	109.1	R324	R324-L326 VanDerWaalsContact C-N 3.31Å; R324-L326 PolarHBondContact O-N 3.24Å
327	K	56.6	Low	63.4	Low	196 Å²	196	123.5 Å²	123.5	85%	0.852	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-60.4	130.8	167.7	-167.9	175.2	-175.3	-179.7	0	107.1	Q329	K327-Q329 PolarHBondContact O-N 3.29Å
328	P	60.7	Low	64.6	Low	117 Å²	117	122.3 Å²	122.3	76%	0.76	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-49.8	134.3	-179.9	-29.4	35.6	0	0	0	110.8	A330	P328-A330 PolarHBondContact O-N 2.9Å
329	Q	54.4	Low	66.2	Low	169 Å²	169	122 Å²	122	79%	0.79	65%	0.653	S	S	*	*			trans	-59.3	114.4	-178.6	179.4	171.7	-17.7	0	0	108.5	K327 Q331	K327-Q329 PolarHBondContact O-N 3.29Å; Q329-Q331 PolarHBondContact O-N 3.25Å; Q329-Q331 VanDerWaalsContact O-N 3.12Å
330	A	56.4	Low	67.4	Low	90 Å²	90	121 Å²	121	74%	0.744	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-57.2	120.6	171.2	0	0	0	0	0	107.2	P328	P328-A330 PolarHBondContact O-N 2.9Å
331	Q	61.5	Low	68.4	Low	181 Å²	181	120.7 Å²	120.7	85%	0.846	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-61	139.7	-176.7	-72.1	-170.8	-14.3	0	0	109.4	Q329	Q329-Q331 PolarHBondContact O-N 3.25Å; Q329-Q331 VanDerWaalsContact O-N 3.12Å
332	P	66.2	Low	69.6	Low	96 Å²	96	120.9 Å²	120.9	62%	0.623	63%	0.634	S	S	*	*	P	Polyproline II helix	trans	-53.7	144.3	170.9	-23.2	33.8	0	0	0	110
333	P	71.3	Confident	70.4	Confident	101 Å²	101	120 Å²	120	66%	0.656	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-58.4	133.1	170.5	26.2	-33.4	0	0	0	108.5	T335	P333-T335 PolarHBondContact O-N 3.34Å
334	P	76.1	Confident	70.8	Confident	55 Å²	55	122.4 Å²	122.4	36%	0.357	62%	0.62	S	S	.	*	P	Polyproline II helix	trans	-57.5	134.7	-172.1	20.7	-32.4	0	0	0	110.4	E338 R339	P334-E338 HydrophobicContact CB-CB 4.1Å; P334-R339 HydrophobicContact CB-CG 4.17Å; P334-R339 HydrophobicContact CG-CG 4.14Å; P334-R339 PolarHBondContact O-NE 3.08Å; P334-R339 PolarHBondContact O-NH2 2.95Å
335	T	79.5	Confident	71.3	Confident	76 Å²	76	123.6 Å²	123.6	47%	0.466	63%	0.63	S	S	.	*	P	Polyproline II helix	trans	-62.7	161.1	-178.4	62.5	0	0	0	0	110.8	P333 H337 E338 R339	P333-T335 PolarHBondContact O-N 3.34Å; T335-H337 PolarHBondContact O-N 2.89Å; T335-E338 VanDerWaalsContact CB-OE2 3.25Å; T335-E338 WeakPolarHBondContact CB-OE2 3.22Å; T335-E338 VanDerWaalsContact CG2-OE2 3.28Å; T335-E338 WeakPolarHBondContact CG2-OE2 3.37Å; T335-E338 PolarHBondContact N-OE2 3.47Å; T335-E338 PolarHBondContact O-N 3.29Å; T335-E338 VanDerWaalsContact O-N 3.08Å; T335-E338 WeakPolarHBondContact OG1-CG 3.48Å; T335-E338 PolarHBondContact OG1-N 3.02Å; T335-E338 PolarHBondContact OG1-OE2 3.28Å; T335-R339 WeakPolarHBondContact O-CG 3.4Å; T335-R339 PolarHBondContact O-N 2.65Å
336	L	73.3	Confident	71.7	Confident	139 Å²	139	116.8 Å²	116.8	73%	0.728	61%	0.613	S	S	*	*	H	α-helix	trans	-56	-34.3	176	-69.1	174.3	0	0	0	112.1	I340	L336-I340 WeakPolarHBondContact O-CB 3.4Å; L336-I340 WeakPolarHBondContact O-CD1 3.29Å; L336-I340 WeakPolarHBondContact O-CG1 3.39Å; L336-I340 PolarHBondContact O-N 3.43Å
337	H	80.1	Confident	72.2	Confident	134 Å²	134	118.3 Å²	118.3	62%	0.62	62%	0.616	S	S	*	*	H	α-helix	trans	-66.1	-45.7	175.2	-179.3	-104.8	0	0	0	112.3	T335 I340 L341	T335-H337 PolarHBondContact O-N 2.89Å; H337-I340 PolarHBondContact O-N 3.25Å; H337-L341 VanDerWaalsContact CE1-CD1 3.45Å; H337-L341 WeakPolarHBondContact CE1-CD1 3.37Å; H337-L341 WeakPolarHBondContact O-CG 3.32Å; H337-L341 PolarHBondContact O-N 2.86Å
338	E	85.1	Confident	72.7	Confident	94 Å²	94	116.3 Å²	116.3	44%	0.439	60%	0.603	S	S	.	*	H	α-helix	trans	-64.7	-43.4	176.4	-71.7	158.5	132.4	0	0	111.7	P334 T335 I340 L341 E342	P334-E338 HydrophobicContact CB-CB 4.1Å; T335-E338 VanDerWaalsContact CB-OE2 3.25Å; T335-E338 WeakPolarHBondContact CB-OE2 3.22Å; T335-E338 VanDerWaalsContact CG2-OE2 3.28Å; T335-E338 WeakPolarHBondContact CG2-OE2 3.37Å; T335-E338 PolarHBondContact N-OE2 3.47Å; T335-E338 PolarHBondContact O-N 3.29Å; T335-E338 VanDerWaalsContact O-N 3.08Å; T335-E338 WeakPolarHBondContact OG1-CG 3.48Å; T335-E338 PolarHBondContact OG1-N 3.02Å; T335-E338 PolarHBondContact OG1-OE2 3.28Å; E338-I340 VanDerWaalsContact C-N 3.33Å; E338-I340 PolarHBondContact O-N 3.41Å; E338-L341 CarbonylContact O-C 3.52Å; E338-L341 PolarHBondContact O-N 3.03Å; E338-L341 VanDerWaalsContact O-N 3.11Å; E338-E342 WeakPolarHBondContact O-CG 3.39Å; E338-E342 PolarHBondContact O-N 3.06Å
339	R	83.1	Confident	73.1	Confident	130 Å²	130	120.8 Å²	120.8	49%	0.491	61%	0.61	S	S	.	*	H	α-helix	trans	-60.4	-41.2	175.7	-66.5	-179.4	-164	-147.1	-1.3	112.5	P334 T335 L341 E342 E343	P334-R339 HydrophobicContact CB-CG 4.17Å; P334-R339 HydrophobicContact CG-CG 4.14Å; P334-R339 PolarHBondContact O-NE 3.08Å; P334-R339 PolarHBondContact O-NH2 2.95Å; T335-R339 WeakPolarHBondContact O-CG 3.4Å; T335-R339 PolarHBondContact O-N 2.65Å; R339-L341 VanDerWaalsContact C-N 3.34Å; R339-E342 PolarHBondContact O-N 3Å; R339-E343 WeakPolarHBondContact O-CB 3.39Å; R339-E343 PolarHBondContact O-N 3.39Å
340	I	80.3	Confident	73.7	Confident	96 Å²	96	120.2 Å²	120.2	49%	0.492	61%	0.612	S	S	.	*	H	α-helix	trans	-65	-39.8	175.3	-71.7	164.8	0	0	0	110.5	L336 H337 E338 E343 I344	L336-I340 WeakPolarHBondContact O-CB 3.4Å; L336-I340 WeakPolarHBondContact O-CD1 3.29Å; L336-I340 WeakPolarHBondContact O-CG1 3.39Å; L336-I340 PolarHBondContact O-N 3.43Å; H337-I340 PolarHBondContact O-N 3.25Å; E338-I340 VanDerWaalsContact C-N 3.33Å; E338-I340 PolarHBondContact O-N 3.41Å; I340-E343 PolarHBondContact O-N 3.32Å; I340-I344 HydrophobicContact CG2-CD1 3.8Å; I340-I344 WeakPolarHBondContact O-CB 3.42Å; I340-I344 WeakPolarHBondContact O-CD1 3.46Å; I340-I344 WeakPolarHBondContact O-CG1 3.4Å; I340-I344 PolarHBondContact O-N 2.93Å
341	L	81.9	Confident	74.2	Confident	73 Å²	73	126.9 Å²	126.9	38%	0.382	62%	0.618	S	S	.	*	H	α-helix	trans	-68.5	-34.7	174.8	-72.5	175.1	0	0	0	113	H337 E338 R339 I344 K345	H337-L341 VanDerWaalsContact CE1-CD1 3.45Å; H337-L341 WeakPolarHBondContact CE1-CD1 3.37Å; H337-L341 WeakPolarHBondContact O-CG 3.32Å; H337-L341 PolarHBondContact O-N 2.86Å; E338-L341 CarbonylContact O-C 3.52Å; E338-L341 PolarHBondContact O-N 3.03Å; E338-L341 VanDerWaalsContact O-N 3.11Å; R339-L341 VanDerWaalsContact C-N 3.34Å; L341-I344 PolarHBondContact O-N 3.43Å; L341-K345 WeakPolarHBondContact O-CB 3.25Å; L341-K345 VanDerWaalsContact O-CG 3.26Å; L341-K345 WeakPolarHBondContact O-CG 3.36Å; L341-K345 PolarHBondContact O-N 3.5Å
342	E	79.4	Confident	74.2	Confident	117 Å²	117	124.4 Å²	124.4	55%	0.547	62%	0.617	S	S	.	*	H	α-helix	trans	-66.9	-41.7	171.2	-73.3	-177.8	144.1	0	0	111.3	E338 R339 I344 K345 A346	E338-E342 WeakPolarHBondContact O-CG 3.39Å; E338-E342 PolarHBondContact O-N 3.06Å; R339-E342 PolarHBondContact O-N 3Å; E342-I344 VanDerWaalsContact C-N 3.27Å; E342-I344 PolarHBondContact O-N 3.09Å; E342-K345 PolarHBondContact O-N 3.37Å; E342-A346 VanDerWaalsContact O-CB 3.22Å; E342-A346 WeakPolarHBondContact O-CB 3.45Å; E342-A346 PolarHBondContact O-N 3.43Å
343	E	79.1	Confident	73.8	Confident	97 Å²	97	125.5 Å²	125.5	45%	0.453	62%	0.622	S	S	.	*	H	α-helix	trans	-71.2	-20.5	176.9	-146.2	-153.1	146.3	0	0	113.4	R339 I340 R348	R339-E343 WeakPolarHBondContact O-CB 3.39Å; R339-E343 PolarHBondContact O-N 3.39Å; I340-E343 PolarHBondContact O-N 3.32Å; E343-R348 IonicContact OE1-CZ 2.78Å; E343-R348 IonicContact OE1-NE 2.9Å; E343-R348 PolarHBondContact OE1-NE 3Å; E343-R348 IonicContact OE1-NH2 2.99Å; E343-R348 PolarHBondContact OE1-NH2 3.02Å; E343-R348 IonicContact OE2-NH2 3.34Å; E343-R348 PolarHBondContact OE2-NH2 3.39Å; E343-R348 VanDerWaalsContact OE2-NH2 3.1Å
344	I	74.9	Confident	73	Confident	109 Å²	109	124.4 Å²	124.4	56%	0.559	62%	0.616	S	S	*	*	H	α-helix	trans	-81.7	-37.1	170.2	-71.3	164.8	0	0	0	111	I340 L341 E342	I340-I344 HydrophobicContact CG2-CD1 3.8Å; I340-I344 WeakPolarHBondContact O-CB 3.42Å; I340-I344 WeakPolarHBondContact O-CD1 3.46Å; I340-I344 WeakPolarHBondContact O-CG1 3.4Å; I340-I344 PolarHBondContact O-N 2.93Å; L341-I344 PolarHBondContact O-N 3.43Å; E342-I344 VanDerWaalsContact C-N 3.27Å; E342-I344 PolarHBondContact O-N 3.09Å
345	K	77.1	Confident	71.9	Confident	169 Å²	169	127.2 Å²	127.2	74%	0.735	64%	0.635	S	S	*	*	H	α-helix	trans	-75.1	-30.9	175.8	-75	173	178.7	-179.1	0	113.1	L341 E342 E347	L341-K345 WeakPolarHBondContact O-CB 3.25Å; L341-K345 VanDerWaalsContact O-CG 3.26Å; L341-K345 WeakPolarHBondContact O-CG 3.36Å; L341-K345 PolarHBondContact O-N 3.5Å; E342-K345 PolarHBondContact O-N 3.37Å; K345-E347 VanDerWaalsContact C-N 3.27Å; K345-E347 PolarHBondContact O-N 2.91Å
346	A	72.6	Confident	70.5	Confident	67 Å²	67	130.3 Å²	130.3	55%	0.554	65%	0.648	S	S	*	*	S	Bend	trans	-76.6	80.3	172.8	0	0	0	0	0	109	E342 R348	E342-A346 VanDerWaalsContact O-CB 3.22Å; E342-A346 WeakPolarHBondContact O-CB 3.45Å; E342-A346 PolarHBondContact O-N 3.43Å; A346-R348 PolarHBondContact O-N 3.24Å
347	E	65.7	Low	69.3	Low	178 Å²	178	131.7 Å²	131.7	83%	0.832	65%	0.651	S	S	*	*			trans	-40.5	102.6	-171.3	-64	-173.5	143.9	0	0	113.3	K345 K349	K345-E347 VanDerWaalsContact C-N 3.27Å; K345-E347 PolarHBondContact O-N 2.91Å; E347-K349 PolarHBondContact O-N 3.29Å
348	R	67.9	Low	67.8	Low	155 Å²	155	132.4 Å²	132.4	59%	0.585	66%	0.658	S	S	*	*			trans	-65.4	106.2	175.2	-61.6	-167.5	-170.7	120.1	-13	108.5	E343 A346 L350	E343-R348 IonicContact OE1-CZ 2.78Å; E343-R348 IonicContact OE1-NE 2.9Å; E343-R348 PolarHBondContact OE1-NE 3Å; E343-R348 IonicContact OE1-NH2 2.99Å; E343-R348 PolarHBondContact OE1-NH2 3.02Å; E343-R348 IonicContact OE2-NH2 3.34Å; E343-R348 PolarHBondContact OE2-NH2 3.39Å; E343-R348 VanDerWaalsContact OE2-NH2 3.1Å; A346-R348 PolarHBondContact O-N 3.24Å; R348-L350 PolarHBondContact O-N 3.21Å
349	K	68.8	Low	66.3	Low	210 Å²	210	138.8 Å²	138.8	91%	0.913	68%	0.678	S	S	*	*			trans	-56.8	100.4	173.7	-70.6	-175.8	178.8	-179.2	0	110	E347	E347-K349 PolarHBondContact O-N 3.29Å
350	L	67.3	Low	64.4	Low	157 Å²	157	144.4 Å²	144.4	82%	0.822	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-59.6	139	173	-59.6	178.7	0	0	0	108.7	R348	R348-L350 PolarHBondContact O-N 3.21Å
351	R	67.2	Low	62.3	Low	231 Å²	231	143.1 Å²	143.1	87%	0.872	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-63.4	135.2	170.2	-67.3	-173.9	-175.7	-178.3	1.3	108.3	V353	R351-V353 PolarHBondContact O-N 3.07Å
352	P	62.1	Low	60.1	Low	129 Å²	129	150.8 Å²	150.8	84%	0.838	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-55.3	131.2	171	-24.8	34.5	0	0	0	110.4
353	V	57.3	Low	58	Low	118 Å²	118	151.1 Å²	151.1	72%	0.715	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-79.2	125.9	170.6	179.6	0	0	0	0	107.6	R351	R351-V353 PolarHBondContact O-N 3.07Å
354	S	54.9	Low	55.8	Low	78 Å²	78	153 Å²	153	55%	0.545	75%	0.751	S	S	.	*	P	Polyproline II helix	trans	-63.6	130.7	174.1	41.9	0	0	0	0	110.3	D356	S354-D356 PolarHBondContact O-N 3.36Å
355	P	51.9	Low	53.8	Low	114 Å²	114	154.3 Å²	154.3	74%	0.74	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.9	18.6	-163	30.7	-37.3	0	0	0	116.5
356	D	50.5	Low	51.6	Low	141 Å²	141	153.5 Å²	153.5	75%	0.754	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.4	-18.7	-174.3	-75.7	-61.8	0	0	0	115.3	S354 I358	S354-D356 PolarHBondContact O-N 3.36Å; D356-I358 VanDerWaalsContact C-N 3.31Å; D356-I358 PolarHBondContact O-N 2.83Å
357	E	48.9	Very low	49.8	Very low	169 Å²	169	153.2 Å²	153.2	79%	0.79	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	7.2	-177	-64.5	-162	129.7	0	0	114.7	R359	E357-R359 VanDerWaalsContact C-N 3.31Å; E357-R359 PolarHBondContact O-N 3.33Å
358	I	48.7	Very low	49.3	Very low	149 Å²	149	148.4 Å²	148.4	76%	0.764	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	0.4	178.7	-64.5	176.5	0	0	0	112.2	D356	D356-I358 VanDerWaalsContact C-N 3.31Å; D356-I358 PolarHBondContact O-N 2.83Å
359	R	51.8	Low	47.7	Very low	227 Å²	227	148.2 Å²	148.2	86%	0.857	73%	0.731	S	S	*	*	S	Bend	trans	-134.5	60.7	-175.2	-70.8	-171.3	172.9	132.6	-3.3	116.4	E357	E357-R359 VanDerWaalsContact C-N 3.31Å; E357-R359 PolarHBondContact O-N 3.33Å
360	R	44.6	Very low	46.4	Very low	249 Å²	249	146.6 Å²	146.6	94%	0.94	73%	0.728	S	S	*	*			trans	-171.3	144.5	149.8	-111.7	176.1	-88.8	-165.5	-3.1	110.2
361	G	35.9	Very low	44.8	Very low	69 Å²	69	142.6 Å²	142.6	71%	0.711	73%	0.726	S	S	*	*			cis	149	88	-14.7	0	0	0	0	0	116
362	R	35.3	Very low	43.4	Very low	234 Å²	234	143.4 Å²	143.4	88%	0.883	73%	0.729	S	S	*	*			trans	79.2	144.2	159	-126.7	-170.4	171.1	170.5	-4.2	119.7
363	L	35.8	Very low	42.2	Very low	124 Å²	124	147.7 Å²	147.7	65%	0.649	73%	0.728	S	S	*	*			trans	76.9	130.5	156.7	-63.7	155.3	0	0	0	121.7
364	D	33.3	Very low	41.1	Very low	135 Å²	135	148 Å²	148	72%	0.722	73%	0.73	S	S	*	*			trans	59.1	160.5	131.8	-55.6	-3.9	0	0	0	122.1
365	E	32.5	Very low	40.1	Very low	138 Å²	138	149.1 Å²	149.1	65%	0.645	74%	0.738	S	S	*	*			cis	-164.8	-179.8	-33	-157.3	175.7	-168.5	0	0	110.1
366	F	31.6	Very low	39.1	Very low	152 Å²	152	149.6 Å²	149.6	67%	0.667	74%	0.744	S	S	*	*			trans	60.4	-172.7	160.3	-71.7	-66.4	0	0	0	125	R388	F366-R388 WeakPolarHBondContact O-CD 3.46Å; F366-R388 PolarHBondContact O-NH1 3.15Å
367	S	34.4	Very low	38.2	Very low	61 Å²	61	148.7 Å²	148.7	43%	0.427	75%	0.749	S	S	.	*			trans	-145.6	-163.9	-148.9	-54.2	0	0	0	0	114.3
368	P	55.4	Low	37.5	Very low	77 Å²	77	148.4 Å²	148.4	50%	0.5	75%	0.752	S	S	.	*			cis	-148	-166.5	-3.6	48.6	-28	0	0	0	119.5	R388 A389	P368-R388 CarbonylContact C-O 3.57Å; P368-A389 HydrophobicContact CB-CB 3.72Å
369	Y	34.5	Very low	36.5	Very low	150 Å²	150	146.2 Å²	146.2	59%	0.588	75%	0.75	S	S	*	*			trans	54	120.3	159	-86.5	-90.8	0	0	0	127.1	R388	Y369-R388 PolarHBondContact N-O 3.46Å; Y369-R388 VanDerWaalsContact N-O 3.1Å
370	M	40.6	Very low	35.4	Very low	176 Å²	176	143 Å²	143	87%	0.867	75%	0.749	S	S	*	*			trans	60.8	168.8	142.4	-76.7	-174.3	-175.5	0	0	124.1
371	G	34.3	Very low	34.6	Very low	74 Å²	74	137.4 Å²	137.4	76%	0.763	74%	0.742	S	S	*	*			cis	170.4	163.2	-11.4	0	0	0	0	0	118.6
372	R	36.4	Very low	34.2	Very low	248 Å²	248	142.1 Å²	142.1	94%	0.936	75%	0.752	S	S	*	*			trans	72.1	-167.9	170.9	-87.5	-169.5	-175.1	-138.2	3.3	122
373	R	38.6	Very low	33.7	Very low	218 Å²	218	134.8 Å²	134.8	82%	0.823	75%	0.748	S	S	*	*			trans	-122.2	170.7	-140.2	-62.7	-175.7	-179.7	168.7	-0.7	117.9
374	T	33.6	Very low	33.3	Very low	125 Å²	125	135 Å²	135	77%	0.767	76%	0.76	S	S	*	*			trans	87.2	104.9	151.6	41.2	0	0	0	0	123.4
375	S	33.4	Very low	32.9	Very low	101 Å²	101	140.4 Å²	140.4	71%	0.706	77%	0.77	S	S	*	*				83.7	117.6	126.9	-57.1	0	0	0	0	124.1
376	S	31.7	Very low	33	Very low	124 Å²	124	139 Å²	139	87%	0.867	78%	0.776	S	S	*	*			trans	76.3	164.4	141	58.7	0	0	0	0	121.7
377	S	31.9	Very low	33.1	Very low	123 Å²	123	136 Å²	136	86%	0.86	77%	0.771	S	S	*	*			trans	83.3	156.4	-172.4	-152.4	0	0	0	0	117.3
378	L	32.7	Very low	33	Very low	162 Å²	162	141 Å²	141	85%	0.848	78%	0.781	S	S	*	*			trans	-120.6	161.7	-171	-74.7	166.5	0	0	0	111.4
379	S	28.9	Very low	31.6	Very low	103 Å²	103	138.8 Å²	138.8	72%	0.72	77%	0.769	S	S	*	*			trans	81.6	100.4	158.2	-57.7	0	0	0	0	120.1
380	L	28.1	Very low	31.2	Very low	159 Å²	159	138.9 Å²	138.9	83%	0.832	78%	0.775	S	S	*	*			trans	86.8	148.1	133.5	-59.3	170.8	0	0	0	121.5
381	T	28.1	Very low	31.4	Very low	132 Å²	132	135.7 Å²	135.7	81%	0.81	77%	0.767	S	S	*	*			trans	85.4	131.1	168.9	72.5	0	0	0	0	119.4
382	N	27.5	Very low	31.2	Very low	169 Å²	169	137.7 Å²	137.7	90%	0.904	77%	0.77	S	S	*	*			trans	18.8	134.7	162.2	-61.5	-3.2	0	0	0	122.2
383	G	25	Very low	30.9	Very low	79 Å²	79	129.6 Å²	129.6	81%	0.814	76%	0.764	S	S	*	*			trans	164.8	130	154.3	0	0	0	0	0	117.1
384	S	26	Very low	30.7	Very low	128 Å²	128	124.1 Å²	124.1	90%	0.895	76%	0.759	S	S	*	*			trans	-56.3	175.4	177.4	35.9	0	0	0	0	118.4
385	R	26.6	Very low	30.8	Very low	249 Å²	249	126.2 Å²	126.2	94%	0.94	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-92.4	159.4	-178.8	-71.7	163	61.4	-168.5	0.4	114.1
386	S	34.2	Very low	30.9	Very low	109 Å²	109	125.6 Å²	125.6	76%	0.762	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-72.4	169.9	178.5	110	0	0	0	0	115.7
387	P	34.3	Very low	31	Very low	88 Å²	88	125.3 Å²	125.3	57%	0.571	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-102	147.1	149.1	-5.7	26.3	0	0	0	115.2
388	R	30.6	Very low	31.2	Very low	168 Å²	168	125.6 Å²	125.6	63%	0.634	75%	0.747	S	S	*	*			trans	29.4	-174	138.7	-85.1	162.3	169	153.2	-2.5	120.7	F366 P368 Y369	F366-R388 WeakPolarHBondContact O-CD 3.46Å; F366-R388 PolarHBondContact O-NH1 3.15Å; P368-R388 CarbonylContact C-O 3.57Å; Y369-R388 PolarHBondContact N-O 3.46Å; Y369-R388 VanDerWaalsContact N-O 3.1Å
389	A	27.3	Very low	31.4	Very low	30 Å²	30	126.1 Å²	126.1	25%	0.248	75%	0.745	C	S	.	*			cis	-155.1	172.7	-10.1	0	0	0	0	0	106.7	P368	P368-A389 HydrophobicContact CB-CB 3.72Å
390	E	25.2	Very low	31.6	Very low	152 Å²	152	132.3 Å²	132.3	71%	0.71	75%	0.753	S	S	*	*			cis	76.1	147.6	32.1	-58.6	-66.5	166.2	0	0	115.4
391	P	45.5	Very low	31.9	Very low	108 Å²	108	134.4 Å²	134.4	70%	0.701	76%	0.755	S	S	*	*			cis	-138.7	159.5	12.9	42.7	-25.2	0	0	0	119.6
392	S	29.9	Very low	32.5	Very low	117 Å²	117	138 Å²	138	82%	0.818	76%	0.76	S	S	*	*			trans	150.5	127.8	137.4	-69.4	0	0	0	0	110.1
393	G	30.8	Very low	32.7	Very low	78 Å²	78	136.6 Å²	136.6	80%	0.804	75%	0.751	S	S	*	*			cis	120.9	131	8.8	0	0	0	0	0	110.1
394	S	34.2	Very low	33	Very low	103 Å²	103	139.5 Å²	139.5	72%	0.72	75%	0.748	S	S	*	*			cis	-154.3	-174.8	-14.1	67.6	0	0	0	0	107.2
395	Q	35.8	Very low	33.3	Very low	168 Å²	168	143 Å²	143	79%	0.785	75%	0.747	S	S	*	*			cis	-163.2	-161.6	11.8	-136.3	175.6	114.7	0	0	106.8
396	S	34.1	Very low	33.5	Very low	89 Å²	89	135 Å²	135	62%	0.622	73%	0.733	S	S	*	*			cis	-160.1	137	-5.6	45.8	0	0	0	0	112.3
397	V	34.5	Very low	33.8	Very low	118 Å²	118	136.1 Å²	136.1	72%	0.715	74%	0.738	S	S	*	*			trans	45.8	117.1	138.3	-172	0	0	0	0	122.2
398	P	36.8	Very low	34.2	Very low	128 Å²	128	137 Å²	137	83%	0.831	75%	0.746	S	S	*	*			trans	-95.5	156	145.4	36.4	-31.5	0	0	0	112.5
399	Q	36	Very low	34.5	Very low	174 Å²	174	137.1 Å²	137.1	81%	0.813	76%	0.759	S	S	*	*			trans	-92	132.8	-175.2	-72.2	-161.6	5.3	0	0	116.3
400	R	34.1	Very low	35.4	Very low	232 Å²	232	139.6 Å²	139.6	88%	0.875	78%	0.779	S	S	*	*			trans	32.2	120.4	143.8	-73.1	178.4	162.2	155.8	-3.8	120.7
401	K	33.7	Very low	36.2	Very low	204 Å²	204	141.3 Å²	141.3	89%	0.887	79%	0.787	S	S	*	*			trans	-90.3	155.3	144.9	-63.4	179.8	179.9	179.5	0	110
402	K	39.8	Very low	35.8	Very low	208 Å²	208	144.1 Å²	144.1	90%	0.904	80%	0.795	S	S	*	*			trans	-137	150	171.4	-157.3	179.7	-178.5	-173	0	111.1
403	L	31.6	Very low	36.1	Very low	138 Å²	138	146.1 Å²	146.1	72%	0.723	80%	0.797	S	S	*	*			trans	-129.3	165.2	-166.8	-93.1	67.6	0	0	0	109.6
404	L	32.2	Very low	36.2	Very low	141 Å²	141	147.7 Å²	147.7	74%	0.738	80%	0.796	S	S	*	*			cis	-157.1	136.4	2.7	-140.5	178	0	0	0	110.1
405	K	32.1	Very low	36.3	Very low	202 Å²	202	147.9 Å²	147.9	88%	0.878	80%	0.797	S	S	*	*			trans	-164	152.5	143.5	-135.8	69.6	-178.1	-177.4	0	114.5
406	A	30.8	Very low	36.1	Very low	79 Å²	79	147 Å²	147	65%	0.653	80%	0.797	S	S	*	*			trans	-125.3	140.7	162.1	0	0	0	0	0	108.3
407	P	41.4	Very low	35.9	Very low	134 Å²	134	147 Å²	147	87%	0.87	80%	0.798	S	S	*	*			trans	-68.6	167.3	169.4	-20.3	34.4	0	0	0	113.2
408	S	41.5	Very low	35.9	Very low	106 Å²	106	147.6 Å²	147.6	74%	0.741	80%	0.797	S	S	*	*			trans	-95.1	159.3	-173.3	44.3	0	0	0	0	114.4	A410	S408-A410 VanDerWaalsContact C-N 3.32Å; S408-A410 PolarHBondContact O-N 2.91Å
409	L	37.7	Very low	35.7	Very low	171 Å²	171	148.7 Å²	148.7	90%	0.895	80%	0.795	S	S	*	*	S	Bend	trans	-76.3	75.1	-179.2	-157.9	175.4	0	0	0	110.7
410	A	45.9	Very low	35.7	Very low	81 Å²	81	147.4 Å²	147.4	67%	0.669	79%	0.789	S	S	*	*			trans	-143.9	-4	-174.1	0	0	0	0	0	116	S408	S408-A410 VanDerWaalsContact C-N 3.32Å; S408-A410 PolarHBondContact O-N 2.91Å
411	E	41.5	Very low	35.5	Very low	188 Å²	188	143.4 Å²	143.4	88%	0.879	79%	0.785	S	S	*	*			trans	-122.6	63.2	-176.7	-67	178.2	166.3	0	0	110.6
412	L	38.4	Very low	35.6	Very low	167 Å²	167	139.3 Å²	139.3	87%	0.874	78%	0.777	S	S	*	*			trans	-135.4	77	170.2	-77.6	178.4	0	0	0	109.8
413	D	36.1	Very low	35	Very low	159 Å²	159	133 Å²	133	85%	0.85	77%	0.771	S	S	*	*			trans	-149	164.5	161.4	-151.4	-13.7	0	0	0	109.5
414	S	32.3	Very low	35	Very low	112 Å²	112	137 Å²	137	78%	0.783	78%	0.776	S	S	*	*			trans	66.3	114.4	-174.7	-69.5	0	0	0	0	117.8
415	S	36.4	Very low	34.9	Very low	106 Å²	106	136.5 Å²	136.5	74%	0.741	78%	0.779	S	S	*	*			trans	-72.1	151.8	151.6	-170.4	0	0	0	0	110.1
416	D	31.2	Very low	34.8	Very low	150 Å²	150	132 Å²	132	80%	0.802	77%	0.773	S	S	*	*				175.4	171.4	100.4	-126.3	-38.9	0	0	0	115.3
417	S	30.9	Very low	34.5	Very low	90 Å²	90	132.5 Å²	132.5	63%	0.629	78%	0.777	S	S	*	*			trans	75.9	99.8	152.8	-144.1	0	0	0	0	122.9
418	D	32.9	Very low	33.8	Very low	130 Å²	130	132 Å²	132	70%	0.695	78%	0.777	S	S	*	*				60.4	161.7	110.6	-48	-48.7	0	0	0	125.9
419	D	34	Very low	33.1	Very low	150 Å²	150	134.6 Å²	134.6	80%	0.802	78%	0.782	S	S	*	*			trans	70.6	149	150.2	-74.2	-18	0	0	0	121.8
420	E	34.7	Very low	32.6	Very low	147 Å²	147	131.7 Å²	131.7	69%	0.687	78%	0.776	S	S	*	*			cis	-169.9	-156.4	-30.9	-136.1	-75.1	133.6	0	0	107.2
421	L	31.4	Very low	31.9	Very low	148 Å²	148	132.9 Å²	132.9	78%	0.775	78%	0.78	S	S	*	*			trans	69.9	139.4	164.3	-89.8	58.8	0	0	0	118.6
422	V	33.8	Very low	31.3	Very low	119 Å²	119	130.8 Å²	130.8	72%	0.721	78%	0.779	S	S	*	*			cis	-167.2	153.9	-24.1	110	0	0	0	0	108.1
423	G	28.4	Very low	31	Very low	75 Å²	75	127 Å²	127	77%	0.773	77%	0.772	S	S	*	*			trans	179	28.8	179.1	0	0	0	0	0	120.1
424	R	32.2	Very low	30.7	Very low	223 Å²	223	126.2 Å²	126.2	84%	0.842	77%	0.773	S	S	*	*			trans	-15.3	134.3	163.5	-71.1	173	155.4	-163.2	-6	119.3
425	T	29.4	Very low	30.4	Very low	130 Å²	130	125.7 Å²	125.7	80%	0.798	77%	0.77	S	S	*	*				-158.6	117.5	100.9	37.1	0	0	0	0	108.2
426	S	29.7	Very low	30.2	Very low	107 Å²	107	126.9 Å²	126.9	75%	0.748	77%	0.767	S	S	*	*				71	138.5	85.3	-54.5	0	0	0	0	114.7
427	A	25.7	Very low	30.4	Very low	89 Å²	89	127.3 Å²	127.3	74%	0.736	77%	0.766	S	S	*	*			cis	-174.1	142.5	-21.4	0	0	0	0	0	108
428	S	26.7	Very low	30.4	Very low	125 Å²	125	130.6 Å²	130.6	87%	0.874	78%	0.777	S	S	*	*			trans	178.1	148.4	144.2	-86.8	0	0	0	0	114.7
429	N	25.2	Very low	30.2	Very low	160 Å²	160	131 Å²	131	86%	0.856	78%	0.779	S	S	*	*			trans	-58.4	172.5	167.8	-45.6	-20.5	0	0	0	111.7
430	S	28.3	Very low	30.1	Very low	109 Å²	109	130 Å²	130	76%	0.762	78%	0.778	S	S	*	*			cis	-152.1	168.1	14.8	65.7	0	0	0	0	113.3
431	S	30.2	Very low	29.9	Very low	107 Å²	107	128.2 Å²	128.2	75%	0.748	78%	0.782	S	S	*	*			trans	-59.1	155.7	153.9	-40.2	0	0	0	0	111.3
432	V	29.8	Very low	30.7	Very low	143 Å²	143	125.9 Å²	125.9	87%	0.867	78%	0.776	S	S	*	*				-176.5	134.5	124.9	146.9	0	0	0	0	107.7
433	A	31.4	Very low	30.3	Very low	88 Å²	88	129.1 Å²	129.1	73%	0.727	78%	0.783	S	S	*	*			trans	-146.4	118	161.5	0	0	0	0	0	107.9
434	T	30.7	Very low	30.4	Very low	142 Å²	142	130.3 Å²	130.3	87%	0.871	78%	0.78	S	S	*	*			trans	172.6	143.7	137.3	35.7	0	0	0	0	110.9
435	S	25	Very low	30.3	Very low	102 Å²	102	125 Å²	125	71%	0.713	78%	0.776	S	S	*	*				-131	148.8	128.6	60.4	0	0	0	0	104.6
436	L	32	Very low	30.3	Very low	130 Å²	130	126.2 Å²	126.2	68%	0.681	78%	0.777	S	S	*	*			cis	-150.3	151	30.6	-67.3	153.1	0	0	0	111.1
437	M	36.8	Very low	30.3	Very low	160 Å²	160	124.9 Å²	124.9	79%	0.788	78%	0.781	S	S	*	*			trans	39.7	143.4	146.4	66.1	-142.4	174	0	0	122.3
438	D	30.3	Very low	30.5	Very low	158 Å²	158	129.3 Å²	129.3	85%	0.845	78%	0.783	S	S	*	*			cis	-160.1	179.6	-16.1	-140.5	-46.4	0	0	0	109.8
439	D	28.2	Very low	30.6	Very low	138 Å²	138	133 Å²	133	74%	0.738	78%	0.784	S	S	*	*			trans	-80.3	164.2	-166.8	-128.8	-47.2	0	0	0	117.2
440	T	32.4	Very low	30.8	Very low	130 Å²	130	131.6 Å²	131.6	80%	0.798	78%	0.781	S	S	*	*			trans	172.5	99.5	140.2	-68.8	0	0	0	0	113.2
441	S	29.5	Very low	31.4	Very low	109 Å²	109	131.7 Å²	131.7	76%	0.762	78%	0.779	S	S	*	*			trans	63.8	163.2	145	-84.3	0	0	0	0	122
442	P	48.2	Very low	32.1	Very low	100 Å²	100	132.3 Å²	132.3	65%	0.649	78%	0.78	S	S	*	*			trans	-133.1	-172.2	-137.7	46.2	-31.6	0	0	0	118
443	E	26.3	Very low	31.9	Very low	186 Å²	186	132.6 Å²	132.6	87%	0.869	77%	0.774	S	S	*	*			trans	72.5	148.4	165.6	-59.8	178.1	97.8	0	0	116.2
444	S	29.7	Very low	31.7	Very low	101 Å²	101	137.4 Å²	137.4	71%	0.706	78%	0.779	S	S	*	*			cis	-163.6	162.1	26.8	54.6	0	0	0	0	114
445	S	30.7	Very low	31.9	Very low	110 Å²	110	138.2 Å²	138.2	77%	0.769	78%	0.777	S	S	*	*			trans	67.3	166.4	148.6	79.8	0	0	0	0	121.7
446	L	30.3	Very low	32.6	Very low	156 Å²	156	138.6 Å²	138.6	82%	0.817	78%	0.777	S	S	*	*				-166.4	84.2	-61.3	-115	168.2	0	0	0	113.7
447	G	28.1	Very low	32.4	Very low	79 Å²	79	139.4 Å²	139.4	81%	0.814	78%	0.781	S	S	*	*			trans	69.8	-169.8	164.2	0	0	0	0	0	117.4
448	K	30	Very low	31.9	Very low	182 Å²	182	136.9 Å²	136.9	79%	0.791	78%	0.779	S	S	*	*			cis	-152.6	142.4	7.7	-85	162.5	-177.7	158.7	0	112
449	K	29.3	Very low	31.8	Very low	203 Å²	203	134.9 Å²	134.9	88%	0.883	78%	0.777	S	S	*	*			trans	60.6	145.9	143.7	-60.2	-177.2	178.7	-172.2	0	122.4
450	T	28.9	Very low	31.8	Very low	131 Å²	131	134.6 Å²	134.6	80%	0.804	78%	0.781	S	S	*	*			trans	-90.5	-169.4	168.2	54.7	0	0	0	0	110.9
451	P	41	Very low	32	Very low	111 Å²	111	134.4 Å²	134.4	72%	0.721	78%	0.781	S	S	*	*			cis	-134.6	-136.4	-1.6	44.2	-22.6	0	0	0	111.6
452	P	44.6	Very low	32	Very low	119 Å²	119	137.5 Å²	137.5	77%	0.773	78%	0.784	S	S	*	*			cis	-119.7	-156.3	-45.3	37.7	-19.2	0	0	0	113.6
453	M	27	Very low	31.6	Very low	149 Å²	149	137.7 Å²	137.7	73%	0.734	79%	0.785	S	S	*	*			trans	-83.1	159.3	-171.9	-54.8	171.3	-75.4	0	0	116.8
454	F	26	Very low	31.6	Very low	190 Å²	190	135.8 Å²	135.8	83%	0.833	78%	0.776	S	S	*	*				-178.8	178.4	108.3	-98.4	-67.8	0	0	0	114.1
455	L	35.5	Very low	31.6	Very low	158 Å²	158	139.8 Å²	139.8	83%	0.827	78%	0.776	S	S	*	*			trans	-105.9	-158.5	-169.9	-59.7	173.6	0	0	0	111.2
456	P	40.7	Very low	31.4	Very low	111 Å²	111	145.1 Å²	145.1	72%	0.721	78%	0.779	S	S	*	*			cis	-150.1	-165.8	3.3	30.2	-0.8	0	0	0	119
457	I	26.9	Very low	31.2	Very low	146 Å²	146	145.9 Å²	145.9	75%	0.749	78%	0.779	S	S	*	*			trans	101.9	109.3	149.9	-51.8	-170.9	0	0	0	121.8
458	S	26.5	Very low	31	Very low	108 Å²	108	148.4 Å²	148.4	76%	0.755	78%	0.778	S	S	*	*			trans	48.5	166.2	138.1	-47.2	0	0	0	0	122.6
459	S	28.3	Very low	31.5	Very low	116 Å²	116	145 Å²	145	81%	0.811	78%	0.775	S	S	*	*			cis	-151.4	174.7	21.7	-58.5	0	0	0	0	115.9
460	T	27.9	Very low	31.2	Very low	132 Å²	132	143.2 Å²	143.2	81%	0.81	77%	0.77	S	S	*	*			trans	-71.1	179.4	176.5	46.1	0	0	0	0	115.3
461	P	36.4	Very low	31.2	Very low	125 Å²	125	147.6 Å²	147.6	81%	0.812	77%	0.771	S	S	*	*			cis	-151	-169.3	28	45.1	-22.1	0	0	0	120.3
462	Q	30.4	Very low	30.7	Very low	174 Å²	174	152.1 Å²	152.1	81%	0.813	77%	0.774	S	S	*	*			trans	-123.7	167.4	169	-159.7	-155.7	46	0	0	109.3
463	P	38.9	Very low	29.9	Very low	105 Å²	105	153.9 Å²	153.9	68%	0.682	77%	0.772	S	S	*	*				-161.3	166.1	103.5	40.7	-21.1	0	0	0	119.5
464	E	27.6	Very low	30.1	Very low	145 Å²	145	152.1 Å²	152.1	68%	0.678	77%	0.774	S	S	*	*			trans	62.1	161.3	149.6	-76.4	-170.9	-152.6	0	0	120.8
465	R	27.8	Very low	30.5	Very low	185 Å²	185	151.5 Å²	151.5	70%	0.698	78%	0.777	S	S	*	*			cis	-158.7	147.6	11.7	-142.7	174.2	-153.4	-164.1	8.8	116.5
466	R	27.7	Very low	30.2	Very low	222 Å²	222	151 Å²	151	84%	0.838	77%	0.771	S	S	*	*			trans	68.6	176.6	146.9	-91	174.9	-175.6	-154.5	-0.8	123.2
467	Q	25.8	Very low	29.6	Very low	172 Å²	172	153.4 Å²	153.4	80%	0.804	77%	0.77	S	S	*	*			trans	-142.1	139.5	-152.5	-60.5	168.7	-20.3	0	0	115.1
468	T	24.5	Very low	29.6	Very low	132 Å²	132	154.1 Å²	154.1	81%	0.81	77%	0.77	S	S	*	*			trans	56.7	178.2	146.5	64.6	0	0	0	0	120
469	P	39.5	Very low	29.6	Very low	110 Å²	110	154.9 Å²	154.9	71%	0.714	77%	0.771	S	S	*	*			cis	-132.6	-167	-12.5	25.5	0.5	0	0	0	115.7
470	Q	24.2	Very low	29.7	Very low	166 Å²	166	155.5 Å²	155.5	78%	0.776	77%	0.772	S	S	*	*			trans	94.5	99	152.7	-57.5	-150.8	17.4	0	0	123.6
471	R	27.1	Very low	29.7	Very low	223 Å²	223	155.2 Å²	155.2	84%	0.842	77%	0.77	S	S	*	*				35.8	120	105.7	-173.1	-168.4	-163.6	-170	7.3	119.8
472	R	30.7	Very low	29.4	Very low	207 Å²	207	155 Å²	155	78%	0.781	77%	0.771	S	S	*	*				-172	144.3	124.9	-110.1	174.6	176.8	-150.4	-1.4	117.3
473	H	29	Very low	29.4	Very low	156 Å²	156	152.3 Å²	152.3	72%	0.722	77%	0.767	S	S	*	*			trans	76.6	161.6	144.3	-66.2	-25.2	0	0	0	123.6
474	S	31.5	Very low	28.8	Very low	112 Å²	112	157.9 Å²	157.9	78%	0.783	77%	0.774	S	S	*	*			trans	-147.9	157.9	-162.8	50.4	0	0	0	0	109.7
475	I	34.1	Very low	29	Very low	176 Å²	176	159.6 Å²	159.6	90%	0.903	78%	0.782	S	S	*	*			trans	-148.9	165	169.7	-124.6	165.9	0	0	0	111.7
476	E	27.9	Very low	28.9	Very low	148 Å²	148	159.4 Å²	159.4	69%	0.692	79%	0.787	S	S	*	*			trans	-108.3	-176.3	-160	-45.6	178.4	131.9	0	0	115.6
477	K	27.9	Very low	28.8	Very low	161 Å²	161	157 Å²	157	70%	0.7	79%	0.785	S	S	*	*			trans	90.3	86.3	147.3	-79.6	169.8	175	121.4	0	121.5
478	E	27.5	Very low	28.8	Very low	162 Å²	162	154.4 Å²	154.4	76%	0.757	78%	0.783	S	S	*	*				57.3	120.7	108.1	-69.3	-165.3	139.7	0	0	123.4
479	T	26.7	Very low	29	Very low	124 Å²	124	154.3 Å²	154.3	76%	0.761	78%	0.784	S	S	*	*			trans	69.4	145.3	149.3	68.8	0	0	0	0	118.4
480	P	29.5	Very low	28.4	Very low	128 Å²	128	154.6 Å²	154.6	83%	0.831	79%	0.789	S	S	*	*				-129.8	161.1	85.9	39.1	-32	0	0	0	115.1
481	T	29.9	Very low	29.2	Very low	127 Å²	127	156.5 Å²	156.5	78%	0.779	80%	0.795	S	S	*	*			trans	-76.9	138.8	174.8	-50.9	0	0	0	0	112.2
482	S	28.7	Very low	29.7	Very low	119 Å²	119	155 Å²	155	83%	0.832	80%	0.798	S	S	*	*			trans	-153.6	133.8	154.1	-164.7	0	0	0	0	111.4
483	V	30.3	Very low	29.5	Very low	119 Å²	119	151.5 Å²	151.5	72%	0.721	79%	0.794	S	S	*	*			trans	-100.1	127.8	179.4	174.9	0	0	0	0	109.8
484	R	27.4	Very low	29.5	Very low	222 Å²	222	150 Å²	150	84%	0.838	80%	0.801	S	S	*	*			trans	-141.9	107.9	158	-112.2	-178.3	179.2	-179.4	0.2	110.4
485	Q	31.9	Very low	29.6	Very low	181 Å²	181	152.5 Å²	152.5	85%	0.846	80%	0.798	S	S	*	*			trans	-68	133.8	159.5	-68.2	171	-52.8	0	0	108.2
486	F	24.6	Very low	29.5	Very low	181 Å²	181	148.9 Å²	148.9	79%	0.794	79%	0.788	S	S	*	*			trans	-141.5	158	162.8	-108.8	-84.8	0	0	0	110.9
487	Q	25.8	Very low	29.6	Very low	171 Å²	171	149.2 Å²	149.2	80%	0.799	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-80.1	149.4	-157.6	-152	162.7	0.2	0	0	112.4
488	P	25.5	Very low	29.8	Very low	117 Å²	117	147.8 Å²	147.8	76%	0.76	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-65.7	133.4	-174.4	24.4	-35.3	0	0	0	113.4
489	P	29	Very low	29.9	Very low	130 Å²	130	148.6 Å²	148.6	84%	0.844	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-61.6	146.1	167.4	-22.4	34.2	0	0	0	112.3
490	S	27.3	Very low	30.1	Very low	116 Å²	116	150.8 Å²	150.8	81%	0.811	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-82	168.5	-174.5	57.8	0	0	0	0	113.9	Q492	S490-Q492 PolarHBondContact O-N 3.08Å
491	K	40.9	Very low	30.3	Very low	207 Å²	207	148.7 Å²	148.7	90%	0.9	78%	0.78	S	S	*	*	S	Bend	trans	-46.2	100.6	-177.7	-60.7	172.6	179.1	177.6	0	114.2
492	Q	37	Very low	30.6	Very low	192 Å²	192	150.7 Å²	150.7	90%	0.897	78%	0.778	S	S	*	*			trans	-162.8	75.7	161.9	-124	178.6	49.6	0	0	114.9	S490	S490-Q492 PolarHBondContact O-N 3.08Å
493	N	26	Very low	31.3	Very low	132 Å²	132	148.2 Å²	148.2	71%	0.706	76%	0.76	S	S	*	*			trans	-161	58.8	149.5	-149.5	-5.1	0	0	0	115.2	K495	N493-K495 VanDerWaalsContact C-N 3.28Å; N493-K495 PolarHBondContact O-N 2.69Å
494	S	31.1	Very low	32.2	Very low	124 Å²	124	144.8 Å²	144.8	87%	0.867	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.9	72.2	172	54.2	0	0	0	0	111.4
495	K	33.5	Very low	33.1	Very low	165 Å²	165	141.1 Å²	141.1	72%	0.717	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.3	-3.7	180	-73.5	-162.6	170.5	-169.9	0	116.6	N493	N493-K495 VanDerWaalsContact C-N 3.28Å; N493-K495 PolarHBondContact O-N 2.69Å
496	S	31.2	Very low	33.8	Very low	100 Å²	100	137.3 Å²	137.3	70%	0.699	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.3	5.2	-175.8	52.8	0	0	0	0	115.6
497	L	28.9	Very low	35.2	Very low	155 Å²	155	132.7 Å²	132.7	81%	0.812	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.9	2.6	-172.5	-121.1	169.6	0	0	0	114.6
498	E	32.2	Very low	37.2	Very low	132 Å²	132	126 Å²	126	62%	0.617	68%	0.679	S	S	*	*	S	Bend	trans	-93	-18.8	178.7	-63.1	-176.8	112.4	0	0	112.9	F500 C501	E498-F500 VanDerWaalsContact C-N 3.29Å; E498-F500 PolarHBondContact O-N 3.06Å; E498-C501 PolarHBondContact O-N 3.02Å
499	E	29.7	Very low	39.7	Very low	178 Å²	178	123.5 Å²	123.5	83%	0.832	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.4	-7.7	-169.5	-155.8	167.4	-153.7	0	0	114.6
500	F	31.2	Very low	42.3	Very low	171 Å²	171	118.6 Å²	118.6	75%	0.75	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.5	12.7	175.1	-79.2	-75.7	0	0	0	114.6	E498 F502	E498-F500 VanDerWaalsContact C-N 3.29Å; E498-F500 PolarHBondContact O-N 3.06Å; F500-F502 PolarHBondContact O-N 3.47Å; F500-F502 VanDerWaalsContact O-N 3.16Å
501	C	33.6	Very low	44.9	Very low	84 Å²	84	113.3 Å²	113.3	57%	0.568	59%	0.589	S	S	*	*			trans	-78	88	161.6	-84.3	0	0	0	0	110	E498 P503	E498-C501 PolarHBondContact O-N 3.02Å; C501-P503 WeakPolarHBondContact O-CD 3.5Å; C501-P503 VanDerWaalsContact O-N 3.15Å
502	F	37.7	Very low	46.8	Very low	168 Å²	168	107.6 Å²	107.6	74%	0.737	57%	0.566	S	S	*	*			trans	-51.7	118.2	164.5	-78.9	-93.2	0	0	0	109.3	F500	F500-F502 PolarHBondContact O-N 3.47Å; F500-F502 VanDerWaalsContact O-N 3.16Å
503	P	43.2	Very low	49.1	Very low	68 Å²	68	102.9 Å²	102.9	44%	0.442	54%	0.544	S	S	.	.			trans	-73.2	162.8	-177.5	29.8	-34.3	0	0	0	111.7	C501 E505 C506	C501-P503 WeakPolarHBondContact O-CD 3.5Å; C501-P503 VanDerWaalsContact O-N 3.15Å; P503-E505 HydrophobicContact CB-CG 4.43Å; P503-E505 HydrophobicContact CG-CB 4.47Å; P503-E505 HydrophobicContact CG-CG 4.4Å; P503-E505 PolarHBondContact O-N 2.82Å; P503-C506 PolarHBondContact O-N 3.46Å
504	V	47.6	Very low	51.9	Low	47 Å²	47	96.6 Å²	96.6	29%	0.285	51%	0.51	S	S	.	.	G	3₁₀ helix	trans	-48.3	-23.2	178.5	165.8	0	0	0	0	114.4	C506 L507 L664 A667	V504-C506 PolarHBondContact O-N 2.83Å; V504-C506 VanDerWaalsContact O-N 3.1Å; V504-L507 WeakPolarHBondContact O-CB 3.43Å; V504-L507 PolarHBondContact O-N 2.76Å; V504-L664 HydrophobicContact CB-CD1 4.44Å; V504-L664 HydrophobicContact CG1-CD1 3.37Å; V504-L664 HydrophobicContact CG2-CD1 4.19Å; V504-A667 HydrophobicContact CG2-CB 4.16Å
505	E	47.1	Very low	54.5	Low	144 Å²	144	92.7 Å²	92.7	67%	0.673	48%	0.479	S	S	*	.	G	3₁₀ helix	trans	-52.6	-29.6	-177.9	-65.1	157.9	-160.1	0	0	114.1	P503 L507 S508	P503-E505 HydrophobicContact CB-CG 4.43Å; P503-E505 HydrophobicContact CG-CB 4.47Å; P503-E505 HydrophobicContact CG-CG 4.4Å; P503-E505 PolarHBondContact O-N 2.82Å; E505-L507 PolarHBondContact O-N 3.08Å; E505-S508 WeakPolarHBondContact CA-OG 3.35Å; E505-S508 PolarHBondContact O-N 2.91Å; E505-S508 PolarHBondContact O-OG 2.93Å
506	C	46	Very low	56.9	Low	102 Å²	102	90.5 Å²	90.5	69%	0.689	47%	0.471	S	S	*	.	G	3₁₀ helix	trans	-71.5	-4.6	174.8	-59.7	0	0	0	0	114.3	P503 V504	P503-C506 PolarHBondContact O-N 3.46Å; V504-C506 PolarHBondContact O-N 2.83Å; V504-C506 VanDerWaalsContact O-N 3.1Å
507	L	54.2	Low	59.7	Low	83 Å²	83	89 Å²	89	44%	0.435	45%	0.454	S	S	.	.	G	3₁₀ helix	trans	-114.4	-5.3	178.8	-56.9	171.8	0	0	0	112.6	V504 E505 L509 A667	V504-L507 WeakPolarHBondContact O-CB 3.43Å; V504-L507 PolarHBondContact O-N 2.76Å; E505-L507 PolarHBondContact O-N 3.08Å; L507-L509 PolarHBondContact O-N 3.25Å; L507-A667 HydrophobicContact CD1-CB 4.34Å
508	S	68.4	Low	62.6	Low	31 Å²	31	82.4 Å²	82.4	22%	0.217	42%	0.419	C	S	.	.			trans	-91.4	71.7	-173.7	62.2	0	0	0	0	112.5	E505	E505-S508 WeakPolarHBondContact CA-OG 3.35Å; E505-S508 PolarHBondContact O-N 2.91Å; E505-S508 PolarHBondContact O-OG 2.93Å
509	L	78.6	Confident	65.4	Low	64 Å²	64	78.9 Å²	78.9	34%	0.335	40%	0.402	S	S	.	.			trans	-61.6	134.4	170.3	-65.4	175.8	0	0	0	110.7	L507 V514 I517 I589	L507-L509 PolarHBondContact O-N 3.25Å; L509-V514 HydrophobicContact CB-CG2 3.78Å; L509-V514 HydrophobicContact CD1-CG2 4.08Å; L509-I517 HydrophobicContact CD1-CD1 4.39Å; L509-I517 HydrophobicContact CD2-CD1 4.47Å; L509-I589 HydrophobicContact CB-CG2 4.32Å; L509-I589 WeakPolarHBondContact O-CB 3.37Å; L509-I589 WeakPolarHBondContact O-CG2 3.25Å; L509-I589 PolarHBondContact O-N 2.99Å
510	T	83.1	Confident	68.4	Low	28 Å²	28	74.4 Å²	74.4	17%	0.172	39%	0.387	C	S	.	.	B	Isolated β-bridge	trans	-84.4	163	174.7	63.8	0	0	0	0	112.3	E512 E513 V514 S586 L587	T510-E512 PolarHBondContact O-N 2.79Å; T510-E513 WeakPolarHBondContact CB-OE2 3.35Å; T510-E513 WeakPolarHBondContact CG2-OE2 3.25Å; T510-E513 PolarHBondContact N-OE2 3.09Å; T510-E513 PolarHBondContact O-N 3.13Å; T510-E513 VanDerWaalsContact OG1-CG 3.31Å; T510-E513 WeakPolarHBondContact OG1-CG 3.27Å; T510-E513 PolarHBondContact OG1-N 2.71Å; T510-E513 PolarHBondContact OG1-OE2 3.31Å; T510-V514 WeakPolarHBondContact O-CG2 3.47Å; T510-V514 PolarHBondContact O-N 3.46Å; T510-S586 VanDerWaalsContact CG2-O 3.29Å; T510-S586 WeakPolarHBondContact CG2-O 3.2Å; T510-L587 WeakPolarHBondContact CA-O 3.28Å
511	V	80.9	Confident	71.2	Confident	4 Å²	4	70 Å²	70	2%	0.024	37%	0.37	C	S	.	.	H	α-helix	trans	-57.8	-40.8	176.2	-172.9	0	0	0	0	111.2	V514 M515 F564 P580 S585 L587 I592	V511-V514 PolarHBondContact O-N 3.39Å; V511-M515 HydrophobicContact CG1-SD 4.47Å; V511-M515 WeakPolarHBondContact O-CG 3.45Å; V511-M515 PolarHBondContact O-N 3.15Å; V511-F564 HydrophobicContact CG1-CE2 4.31Å; V511-P580 HydrophobicContact CG2-CG 4.49Å; V511-S585 PolarHBondContact N-O 2.85Å; V511-L587 PolarHBondContact N-O 2.87Å; V511-I592 HydrophobicContact CG2-CD1 3.76Å
512	E	81.1	Confident	74	Confident	87 Å²	87	66 Å²	66	41%	0.407	34%	0.343	S	S	.	.	H	α-helix	trans	-68.5	-36	-178.5	-167.1	152	-177.6	0	0	112.9	T510 H516 K582 S585	T510-E512 PolarHBondContact O-N 2.79Å; E512-H516 PolarHBondContact O-N 3.18Å; E512-H516 VanDerWaalsContact O-N 3.09Å; E512-K582 IonicContact OE1-NZ 2.64Å; E512-K582 PolarHBondContact OE1-NZ 3.3Å; E512-K582 WeakPolarHBondContact OE2-CE 3.39Å; E512-K582 IonicContact OE2-NZ 2.83Å; E512-K582 PolarHBondContact OE2-NZ 3.11Å; E512-S585 PolarHBondContact N-O 2.95Å; E512-S585 PolarHBondContact OE2-OG 2.82Å
513	E	85.4	Confident	76.5	Confident	94 Å²	94	64.2 Å²	64.2	44%	0.439	34%	0.335	S	S	.	.	H	α-helix	trans	-67.9	-42.5	172.2	-71.8	164.8	126	0	0	112	T510 M515 H516 I517	T510-E513 WeakPolarHBondContact CB-OE2 3.35Å; T510-E513 WeakPolarHBondContact CG2-OE2 3.25Å; T510-E513 PolarHBondContact N-OE2 3.09Å; T510-E513 PolarHBondContact O-N 3.13Å; T510-E513 VanDerWaalsContact OG1-CG 3.31Å; T510-E513 WeakPolarHBondContact OG1-CG 3.27Å; T510-E513 PolarHBondContact OG1-N 2.71Å; T510-E513 PolarHBondContact OG1-OE2 3.31Å; E513-M515 VanDerWaalsContact C-N 3.31Å; E513-M515 PolarHBondContact O-N 3.09Å; E513-H516 WeakPolarHBondContact O-CB 3.46Å; E513-H516 PolarHBondContact O-N 2.88Å; E513-H516 VanDerWaalsContact O-N 3.1Å; E513-I517 VanDerWaalsContact O-CG1 3.3Å; E513-I517 WeakPolarHBondContact O-CG1 3.23Å; E513-I517 PolarHBondContact O-N 2.7Å
514	V	85.6	Confident	78.7	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-68.9	-31.9	179.9	-179.1	0	0	0	0	111.4	L509 T510 V511 R518 F564 I589 F652 I656	L509-V514 HydrophobicContact CB-CG2 3.78Å; L509-V514 HydrophobicContact CD1-CG2 4.08Å; T510-V514 WeakPolarHBondContact O-CG2 3.47Å; T510-V514 PolarHBondContact O-N 3.46Å; V511-V514 PolarHBondContact O-N 3.39Å; V514-R518 PolarHBondContact O-N 3.19Å; V514-F564 HydrophobicContact CB-CZ 4.18Å; V514-F564 HydrophobicContact CG1-CE1 3.92Å; V514-F564 HydrophobicContact CG1-CZ 3.86Å; V514-F564 WeakPolarHBondContact O-CE1 3.36Å; V514-I589 HydrophobicContact CB-CD1 3.88Å; V514-I589 HydrophobicContact CG1-CD1 3.77Å; V514-I589 HydrophobicContact CG2-CD1 3.78Å; V514-I589 HydrophobicContact CG2-CG2 4.45Å; V514-F652 HydrophobicContact CG1-CD1 4.42Å; V514-F652 HydrophobicContact CG1-CE1 3.7Å; V514-I656 HydrophobicContact CG1-CD1 3.62Å; V514-I656 HydrophobicContact CG1-CG2 4.39Å; V514-I656 HydrophobicContact CG2-CG2 4.26Å
515	M	85.3	Confident	80.7	Confident	41 Å²	41	63.7 Å²	63.7	20%	0.202	33%	0.333	C	S	.	.	H	α-helix	trans	-59.8	-49.1	165.9	-74.5	176.4	66	0	0	111.7	V511 E513 R518 Q519 Q563 F564	V511-M515 HydrophobicContact CG1-SD 4.47Å; V511-M515 WeakPolarHBondContact O-CG 3.45Å; V511-M515 PolarHBondContact O-N 3.15Å; E513-M515 VanDerWaalsContact C-N 3.31Å; E513-M515 PolarHBondContact O-N 3.09Å; M515-R518 PolarHBondContact O-N 2.82Å; M515-Q519 VanDerWaalsContact O-CG 3.3Å; M515-Q519 WeakPolarHBondContact O-CG 3.25Å; M515-Q519 PolarHBondContact O-N 3.16Å; M515-Q563 WeakPolarHBondContact CE-O 3.41Å; M515-F564 HydrophobicContact CB-CE1 4.4Å; M515-F564 HydrophobicContact CB-CE2 4.46Å; M515-F564 HydrophobicContact CB-CZ 4.32Å; M515-F564 HydrophobicContact CG-CD1 4.13Å; M515-F564 HydrophobicContact CG-CD2 3.46Å; M515-F564 VanDerWaalsContact CG-CD2 3.46Å; M515-F564 HydrophobicContact CG-CE1 3.98Å; M515-F564 HydrophobicContact CG-CE2 3.28Å; M515-F564 HydrophobicContact CG-CG 3.89Å; M515-F564 HydrophobicContact CG-CZ 3.55Å; M515-F564 HydrophobicContact SD-CD2 4.32Å; M515-F564 HydrophobicContact SD-CE2 4.3Å
516	H	84.4	Confident	82.6	Confident	120 Å²	120	57.6 Å²	57.6	56%	0.556	31%	0.305	S	S	*	.	H	α-helix	trans	-61.1	-46.4	179.4	-173.5	67	0	0	0	112.1	E512 E513 R518 Q519 V520	E512-H516 PolarHBondContact O-N 3.18Å; E512-H516 VanDerWaalsContact O-N 3.09Å; E513-H516 WeakPolarHBondContact O-CB 3.46Å; E513-H516 PolarHBondContact O-N 2.88Å; E513-H516 VanDerWaalsContact O-N 3.1Å; H516-R518 VanDerWaalsContact C-N 3.34Å; H516-R518 PolarHBondContact O-N 2.68Å; H516-Q519 PolarHBondContact O-N 3.13Å; H516-V520 WeakPolarHBondContact O-CG2 3.47Å; H516-V520 PolarHBondContact O-N 2.93Å
517	I	88.6	Confident	84.7	Confident	69 Å²	69	56.6 Å²	56.6	35%	0.354	29%	0.29	S	S	.	.	H	α-helix	trans	-56.2	-47.8	175.2	-67.3	163.5	0	0	0	110.3	L509 E513 Q519 V520 L521 F652	L509-I517 HydrophobicContact CD1-CD1 4.39Å; L509-I517 HydrophobicContact CD2-CD1 4.47Å; E513-I517 VanDerWaalsContact O-CG1 3.3Å; E513-I517 WeakPolarHBondContact O-CG1 3.23Å; E513-I517 PolarHBondContact O-N 2.7Å; I517-Q519 VanDerWaalsContact C-N 3.32Å; I517-Q519 PolarHBondContact O-N 3.16Å; I517-V520 PolarHBondContact O-N 2.91Å; I517-L521 HydrophobicContact CG2-CD1 3.98Å; I517-L521 HydrophobicContact CG2-CG 4.44Å; I517-L521 WeakPolarHBondContact O-CG 3.45Å; I517-L521 PolarHBondContact O-N 3.48Å; I517-F652 HydrophobicContact CG2-CZ 4.2Å
518	R	90.9	Very high	86.3	Confident	16 Å²	16	60.6 Å²	60.6	6%	0.06	30%	0.304	C	S	.	.	H	α-helix	trans	-63.5	-36.9	179.4	-170.3	63.2	-167.9	136.3	10.3	112.4	V514 M515 H516 L521 V522 E525 F564 C565 F652	V514-R518 PolarHBondContact O-N 3.19Å; M515-R518 PolarHBondContact O-N 2.82Å; H516-R518 VanDerWaalsContact C-N 3.34Å; H516-R518 PolarHBondContact O-N 2.68Å; R518-L521 PolarHBondContact O-N 2.94Å; R518-V522 HydrophobicContact CG-CG2 4.32Å; R518-V522 VanDerWaalsContact CZ-CG2 3.46Å; R518-V522 VanDerWaalsContact O-CB 3.24Å; R518-V522 WeakPolarHBondContact O-CB 3.37Å; R518-V522 VanDerWaalsContact O-CG2 3.31Å; R518-V522 WeakPolarHBondContact O-CG2 3.37Å; R518-V522 PolarHBondContact O-N 2.95Å; R518-E525 IonicContact CZ-OE1 3.9Å; R518-E525 VanDerWaalsContact CZ-OE1 3.25Å; R518-E525 IonicContact CZ-OE2 3.73Å; R518-E525 IonicContact NH1-OE1 3.48Å; R518-E525 PolarHBondContact NH1-OE1 3.2Å; R518-E525 IonicContact NH1-OE2 3.68Å; R518-E525 VanDerWaalsContact NH2-CD 3.35Å; R518-E525 IonicContact NH2-OE1 3.2Å; R518-E525 PolarHBondContact NH2-OE1 3.31Å; R518-E525 IonicContact NH2-OE2 2.63Å; R518-E525 PolarHBondContact NH2-OE2 2.83Å; R518-F564 HydrophobicContact CB-CD1 3.83Å; R518-F564 HydrophobicContact CB-CE1 4.04Å; R518-F564 HydrophobicContact CG-CD1 4.08Å; R518-C565 HydrophobicContact CG-CB 4.11Å; R518-F652 HydrophobicContact CB-CD1 4.14Å; R518-F652 HydrophobicContact CB-CE1 3.64Å; R518-F652 HydrophobicContact CB-CZ 4.13Å; R518-F652 HydrophobicContact CG-CD1 4.11Å; R518-F652 HydrophobicContact CG-CE1 4.08Å
519	Q	91.1	Very high	87.1	Confident	57 Å²	57	61.5 Å²	61.5	27%	0.266	30%	0.304	S	S	.	.	H	α-helix	trans	-65.8	-39.1	177.5	-70.4	165.5	29	0	0	112.3	M515 H516 I517 K523 F564 I566	M515-Q519 VanDerWaalsContact O-CG 3.3Å; M515-Q519 WeakPolarHBondContact O-CG 3.25Å; M515-Q519 PolarHBondContact O-N 3.16Å; H516-Q519 PolarHBondContact O-N 3.13Å; I517-Q519 VanDerWaalsContact C-N 3.32Å; I517-Q519 PolarHBondContact O-N 3.16Å; Q519-K523 PolarHBondContact O-N 3.15Å; Q519-K523 VanDerWaalsContact O-N 3.09Å; Q519-F564 WeakPolarHBondContact CG-O 3.44Å; Q519-F564 PolarHBondContact NE2-O 3.11Å; Q519-I566 HydrophobicContact CG-CG1 4.45Å
520	V	92.3	Very high	87.4	Confident	85 Å²	85	64.1 Å²	64.1	52%	0.515	32%	0.315	S	S	.	.	H	α-helix	trans	-65.6	-47.9	174	175.3	0	0	0	0	110.9	H516 I517 V522 K523 A524	H516-V520 WeakPolarHBondContact O-CG2 3.47Å; H516-V520 PolarHBondContact O-N 2.93Å; I517-V520 PolarHBondContact O-N 2.91Å; V520-V522 VanDerWaalsContact C-N 3.34Å; V520-V522 PolarHBondContact O-N 2.79Å; V520-K523 WeakPolarHBondContact O-CB 3.34Å; V520-K523 PolarHBondContact O-N 3.17Å; V520-K523 VanDerWaalsContact O-N 3.14Å; V520-A524 PolarHBondContact O-N 3.03Å
521	L	90.8	Very high	87.5	Confident	77 Å²	77	70.6 Å²	70.6	40%	0.403	34%	0.343	S	S	.	.	H	α-helix	trans	-58.7	-44.3	176.2	-68.8	173.1	0	0	0	112	I517 R518 K523 A524 E525 F652	I517-L521 HydrophobicContact CG2-CD1 3.98Å; I517-L521 HydrophobicContact CG2-CG 4.44Å; I517-L521 WeakPolarHBondContact O-CG 3.45Å; I517-L521 PolarHBondContact O-N 3.48Å; R518-L521 PolarHBondContact O-N 2.94Å; L521-K523 VanDerWaalsContact C-N 3.26Å; L521-K523 PolarHBondContact O-N 3.34Å; L521-A524 PolarHBondContact O-N 3.18Å; L521-A524 VanDerWaalsContact O-N 3.13Å; L521-E525 WeakPolarHBondContact O-CG 3.21Å; L521-E525 PolarHBondContact O-N 3.5Å; L521-F652 HydrophobicContact CD1-CE2 3.73Å; L521-F652 HydrophobicContact CD1-CZ 3.99Å
522	V	92.4	Very high	87.9	Confident	0 Å²	0	77.1 Å²	77.1	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-65.8	-26.2	178.2	157.3	0	0	0	0	113	R518 V520 L526 F546 C565 K567	R518-V522 HydrophobicContact CG-CG2 4.32Å; R518-V522 VanDerWaalsContact CZ-CG2 3.46Å; R518-V522 VanDerWaalsContact O-CB 3.24Å; R518-V522 WeakPolarHBondContact O-CB 3.37Å; R518-V522 VanDerWaalsContact O-CG2 3.31Å; R518-V522 WeakPolarHBondContact O-CG2 3.37Å; R518-V522 PolarHBondContact O-N 2.95Å; V520-V522 VanDerWaalsContact C-N 3.34Å; V520-V522 PolarHBondContact O-N 2.79Å; V522-L526 WeakPolarHBondContact O-CB 3.41Å; V522-L526 PolarHBondContact O-N 3.41Å; V522-L526 VanDerWaalsContact O-N 3.11Å; V522-F546 HydrophobicContact CB-CZ 4.35Å; V522-F546 HydrophobicContact CG1-CE1 4.02Å; V522-F546 HydrophobicContact CG1-CE2 4.16Å; V522-F546 HydrophobicContact CG1-CZ 3.68Å; V522-F546 HydrophobicContact CG2-CE1 4.03Å; V522-F546 HydrophobicContact CG2-CZ 4.25Å; V522-C565 HydrophobicContact CB-CB 4.27Å; V522-C565 HydrophobicContact CG1-CB 4.22Å; V522-C565 HydrophobicContact CG2-CB 3.82Å; V522-K567 HydrophobicContact CG1-CD 4Å; V522-K567 HydrophobicContact CG1-CG 3.6Å
523	K	89.6	Confident	88.2	Confident	131 Å²	131	80.1 Å²	80.1	57%	0.57	38%	0.38	S	S	*	.	H	α-helix	trans	-68.7	-45.8	170.5	-169.3	-169.5	173.7	-153.7	0	111	Q519 V520 L521 L526 E527	Q519-K523 PolarHBondContact O-N 3.15Å; Q519-K523 VanDerWaalsContact O-N 3.09Å; V520-K523 WeakPolarHBondContact O-CB 3.34Å; V520-K523 PolarHBondContact O-N 3.17Å; V520-K523 VanDerWaalsContact O-N 3.14Å; L521-K523 VanDerWaalsContact C-N 3.26Å; L521-K523 PolarHBondContact O-N 3.34Å; K523-L526 WeakPolarHBondContact O-CB 3.33Å; K523-L526 PolarHBondContact O-N 3.07Å; K523-E527 WeakPolarHBondContact CE-OE1 3.31Å; K523-E527 IonicContact NZ-OE1 3.19Å; K523-E527 WeakPolarHBondContact O-CG 3.33Å; K523-E527 PolarHBondContact O-N 3.5Å; K523-E527 VanDerWaalsContact O-N 3.08Å
524	A	89.5	Confident	88.4	Confident	52 Å²	52	81.9 Å²	81.9	43%	0.43	39%	0.392	S	S	.	.	H	α-helix	trans	-65.8	-39.4	176	0	0	0	0	0	112.4	V520 L521 L526 E527 K528	V520-A524 PolarHBondContact O-N 3.03Å; L521-A524 PolarHBondContact O-N 3.18Å; L521-A524 VanDerWaalsContact O-N 3.13Å; A524-L526 VanDerWaalsContact C-N 3.3Å; A524-L526 PolarHBondContact O-N 2.92Å; A524-E527 PolarHBondContact O-N 2.88Å; A524-K528 PolarHBondContact O-N 3.44Å
525	E	89	Confident	88.6	Confident	53 Å²	53	85.3 Å²	85.3	25%	0.248	41%	0.41	C	S	.	.	H	α-helix	trans	-56.9	-42.6	171.3	-75.1	173.2	-167	0	0	112	R518 L521 K528 F529 F546	R518-E525 IonicContact CZ-OE1 3.9Å; R518-E525 VanDerWaalsContact CZ-OE1 3.25Å; R518-E525 IonicContact CZ-OE2 3.73Å; R518-E525 IonicContact NH1-OE1 3.48Å; R518-E525 PolarHBondContact NH1-OE1 3.2Å; R518-E525 IonicContact NH1-OE2 3.68Å; R518-E525 VanDerWaalsContact NH2-CD 3.35Å; R518-E525 IonicContact NH2-OE1 3.2Å; R518-E525 PolarHBondContact NH2-OE1 3.31Å; R518-E525 IonicContact NH2-OE2 2.63Å; R518-E525 PolarHBondContact NH2-OE2 2.83Å; L521-E525 WeakPolarHBondContact O-CG 3.21Å; L521-E525 PolarHBondContact O-N 3.5Å; E525-K528 PolarHBondContact O-N 2.74Å; E525-F529 VanDerWaalsContact O-CD2 3.24Å; E525-F529 WeakPolarHBondContact O-CD2 3.49Å; E525-F529 WeakPolarHBondContact O-CE2 3.21Å; E525-F546 HydrophobicContact CB-CZ 4.23Å
526	L	88.3	Confident	88.9	Confident	16 Å²	16	85 Å²	85	8%	0.084	41%	0.407	C	S	.	.	H	α-helix	trans	-66.3	-37.2	177.6	-179.2	60.1	0	0	0	111.9	V522 K523 A524 K528 F529 Y536 M539 K540 F546	V522-L526 WeakPolarHBondContact O-CB 3.41Å; V522-L526 PolarHBondContact O-N 3.41Å; V522-L526 VanDerWaalsContact O-N 3.11Å; K523-L526 WeakPolarHBondContact O-CB 3.33Å; K523-L526 PolarHBondContact O-N 3.07Å; A524-L526 VanDerWaalsContact C-N 3.3Å; A524-L526 PolarHBondContact O-N 2.92Å; L526-K528 VanDerWaalsContact C-N 3.29Å; L526-K528 PolarHBondContact O-N 3.49Å; L526-F529 PolarHBondContact O-N 3.3Å; L526-Y536 HydrophobicContact CD1-CD2 4.1Å; L526-Y536 HydrophobicContact CD1-CE2 4.37Å; L526-Y536 HydrophobicContact CG-CD2 4.21Å; L526-Y536 HydrophobicContact CG-CE2 4Å; L526-Y536 VanDerWaalsContact O-CD2 3.27Å; L526-Y536 WeakPolarHBondContact O-CD2 3.13Å; L526-M539 HydrophobicContact CD1-CB 3.79Å; L526-M539 HydrophobicContact CD1-CE 3.95Å; L526-K540 HydrophobicContact CD2-CB 4.5Å; L526-F546 HydrophobicContact CB-CE2 4.39Å
527	E	88.4	Confident	89.2	Confident	81 Å²	81	81.9 Å²	81.9	38%	0.379	39%	0.394	S	S	.	.	H	α-helix	trans	-67.8	-24.6	-178.8	-76	168	-169.1	0	0	113.4	K523 A524 F529 Q530	K523-E527 WeakPolarHBondContact CE-OE1 3.31Å; K523-E527 IonicContact NZ-OE1 3.19Å; K523-E527 WeakPolarHBondContact O-CG 3.33Å; K523-E527 PolarHBondContact O-N 3.5Å; K523-E527 VanDerWaalsContact O-N 3.08Å; A524-E527 PolarHBondContact O-N 2.88Å; E527-F529 PolarHBondContact O-N 3.48Å; E527-Q530 VanDerWaalsContact O-CG 3.27Å; E527-Q530 WeakPolarHBondContact O-CG 3.43Å; E527-Q530 PolarHBondContact O-N 2.98Å; E527-Q530 PolarHBondContact O-NE2 3.44Å
528	K	88.2	Confident	89.4	Confident	166 Å²	166	79.7 Å²	79.7	72%	0.722	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-59.8	-27.1	171.9	-64.6	-174.3	179.1	-172.3	0	113.5	A524 E525 L526 Q530	A524-K528 PolarHBondContact O-N 3.44Å; E525-K528 PolarHBondContact O-N 2.74Å; L526-K528 VanDerWaalsContact C-N 3.29Å; L526-K528 PolarHBondContact O-N 3.49Å; K528-Q530 VanDerWaalsContact C-N 3.29Å; K528-Q530 PolarHBondContact O-N 3Å
529	F	85	Confident	89.4	Confident	50 Å²	50	79.3 Å²	79.3	22%	0.219	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-83.9	5.8	-177.3	-65.8	-84.6	0	0	0	114.2	E525 L526 E527 Q531 Y532 Y536 M539	E525-F529 VanDerWaalsContact O-CD2 3.24Å; E525-F529 WeakPolarHBondContact O-CD2 3.49Å; E525-F529 WeakPolarHBondContact O-CE2 3.21Å; L526-F529 PolarHBondContact O-N 3.3Å; E527-F529 PolarHBondContact O-N 3.48Å; F529-Q531 PolarHBondContact O-N 2.95Å; F529-Q531 VanDerWaalsContact O-N 3.16Å; F529-Y532 CarbonylContact O-C 3.53Å; F529-Y532 WeakPolarHBondContact O-CA 3.46Å; F529-Y532 PolarHBondContact O-N 2.95Å; F529-Y536 HydrophobicContact CB-CD2 4.47Å; F529-Y536 WeakPolarHBondContact O-CB 3.48Å; F529-M539 HydrophobicContact CB-CE 3.92Å; F529-M539 HydrophobicContact CD1-CE 4.13Å; F529-M539 HydrophobicContact CD2-CE 3.64Å; F529-M539 HydrophobicContact CE2-CE 4.19Å; F529-M539 HydrophobicContact CG-CE 3.61Å
530	Q	85.1	Confident	89.4	Confident	119 Å²	119	82.7 Å²	82.7	56%	0.556	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-56.2	-31.4	-179	-79.8	176.5	74.6	0	0	114.1	E527 K528 Y532 Y536	E527-Q530 VanDerWaalsContact O-CG 3.27Å; E527-Q530 WeakPolarHBondContact O-CG 3.43Å; E527-Q530 PolarHBondContact O-N 2.98Å; E527-Q530 PolarHBondContact O-NE2 3.44Å; K528-Q530 VanDerWaalsContact C-N 3.29Å; K528-Q530 PolarHBondContact O-N 3Å; Q530-Y532 VanDerWaalsContact C-N 3.27Å; Q530-Y532 PolarHBondContact O-N 2.92Å; Q530-Y536 HydrophobicContact CG-CD2 4.21Å; Q530-Y536 HydrophobicContact CG-CE2 3.99Å
531	Q	85.3	Confident	89.4	Confident	165 Å²	165	85.8 Å²	85.8	77%	0.771	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-58.5	-38.3	171.6	-66.8	171.7	-18.8	0	0	111.9	F529 K533	F529-Q531 PolarHBondContact O-N 2.95Å; F529-Q531 VanDerWaalsContact O-N 3.16Å; Q531-K533 PolarHBondContact O-N 3.2Å
532	Y	89.9	Confident	89.4	Confident	141 Å²	141	83.2 Å²	83.2	55%	0.553	40%	0.398	S	S	*	.	S	Bend	trans	-96.5	65.3	-179.9	-59.3	-80.5	0	0	0	110.7	F529 Q530 D534 I535 Y536	F529-Y532 CarbonylContact O-C 3.53Å; F529-Y532 WeakPolarHBondContact O-CA 3.46Å; F529-Y532 PolarHBondContact O-N 2.95Å; Q530-Y532 VanDerWaalsContact C-N 3.27Å; Q530-Y532 PolarHBondContact O-N 2.92Å; Y532-D534 VanDerWaalsContact C-N 3.25Å; Y532-D534 PolarHBondContact O-N 2.92Å; Y532-I535 PolarHBondContact O-N 3.18Å; Y532-Y536 PolarHBondContact O-N 3.36Å
533	K	88.1	Confident	89.5	Confident	149 Å²	149	89.7 Å²	89.7	65%	0.648	43%	0.426	S	S	*	.	H	α-helix	trans	-42.6	-43	-170.2	-168.6	172.8	-177.5	177.3	0	114.8	Q531 N537	Q531-K533 PolarHBondContact O-N 3.2Å; K533-N537 VanDerWaalsContact O-CB 3.25Å; K533-N537 WeakPolarHBondContact O-CB 3.45Å; K533-N537 VanDerWaalsContact O-CG 3.26Å; K533-N537 PolarHBondContact O-N 3.4Å; K533-N537 PolarHBondContact O-ND2 3.25Å
534	D	89.6	Confident	89.7	Confident	132 Å²	132	83.8 Å²	83.8	71%	0.706	40%	0.401	S	S	*	.	H	α-helix	trans	-76.1	-36.8	-179.1	-64.5	-40.2	0	0	0	113.6	Y532 N537 A538	Y532-D534 VanDerWaalsContact C-N 3.25Å; Y532-D534 PolarHBondContact O-N 2.92Å; D534-N537 PolarHBondContact O-N 3.38Å; D534-A538 VanDerWaalsContact O-CB 3.25Å; D534-A538 WeakPolarHBondContact O-CB 3.07Å; D534-A538 PolarHBondContact O-N 3.09Å
535	I	88.5	Confident	89.9	Confident	72 Å²	72	81.3 Å²	81.3	37%	0.369	38%	0.38	S	S	.	.	H	α-helix	trans	-68.3	-45.2	175.6	-52.9	-177	0	0	0	109.3	Y532 A538 M539 L544	Y532-I535 PolarHBondContact O-N 3.18Å; I535-A538 PolarHBondContact O-N 3.27Å; I535-M539 HydrophobicContact CG2-CE 4.06Å; I535-M539 WeakPolarHBondContact O-CG 3.23Å; I535-M539 PolarHBondContact O-N 2.59Å; I535-L544 HydrophobicContact CG2-CD2 3.79Å
536	Y	91.6	Very high	90.2	Very high	35 Å²	35	79 Å²	79	14%	0.137	37%	0.369	C	S	.	.	H	α-helix	trans	-56.1	-50.7	171.8	173.2	-96.1	0	0	0	111.9	L526 F529 Q530 Y532 A538 M539 K540	L526-Y536 HydrophobicContact CD1-CD2 4.1Å; L526-Y536 HydrophobicContact CD1-CE2 4.37Å; L526-Y536 HydrophobicContact CG-CD2 4.21Å; L526-Y536 HydrophobicContact CG-CE2 4Å; L526-Y536 VanDerWaalsContact O-CD2 3.27Å; L526-Y536 WeakPolarHBondContact O-CD2 3.13Å; F529-Y536 HydrophobicContact CB-CD2 4.47Å; F529-Y536 WeakPolarHBondContact O-CB 3.48Å; Q530-Y536 HydrophobicContact CG-CD2 4.21Å; Q530-Y536 HydrophobicContact CG-CE2 3.99Å; Y532-Y536 PolarHBondContact O-N 3.36Å; Y536-A538 VanDerWaalsContact C-N 3.33Å; Y536-A538 PolarHBondContact O-N 3.27Å; Y536-M539 PolarHBondContact O-N 2.72Å; Y536-K540 HydrophobicContact CD1-CD 4.48Å; Y536-K540 HydrophobicContact CE1-CD 3.63Å; Y536-K540 WeakPolarHBondContact O-CB 3.46Å; Y536-K540 PolarHBondContact O-N 2.84Å; Y536-K540 PolarHBondContact OH-NZ 3.16Å
537	N	92.1	Very high	90.4	Very high	53 Å²	53	78.6 Å²	78.6	28%	0.283	37%	0.368	S	S	.	.	H	α-helix	trans	-63.7	-37.1	178.7	-82.2	-46.2	0	0	0	112.5	K533 D534 K541	K533-N537 VanDerWaalsContact O-CB 3.25Å; K533-N537 WeakPolarHBondContact O-CB 3.45Å; K533-N537 VanDerWaalsContact O-CG 3.26Å; K533-N537 PolarHBondContact O-N 3.4Å; K533-N537 PolarHBondContact O-ND2 3.25Å; D534-N537 PolarHBondContact O-N 3.38Å; N537-K541 VanDerWaalsContact O-CB 3.25Å; N537-K541 WeakPolarHBondContact O-CB 3.44Å; N537-K541 VanDerWaalsContact O-CG 3.28Å; N537-K541 WeakPolarHBondContact O-CG 3.47Å; N537-K541 PolarHBondContact O-N 2.67Å
538	A	91.9	Very high	90.6	Very high	23 Å²	23	77 Å²	77	19%	0.19	37%	0.365	C	S	.	.	H	α-helix	trans	-67.7	-42.7	177.2	0	0	0	0	0	111.9	D534 I535 Y536 G542 K543 L544	D534-A538 VanDerWaalsContact O-CB 3.25Å; D534-A538 WeakPolarHBondContact O-CB 3.07Å; D534-A538 PolarHBondContact O-N 3.09Å; I535-A538 PolarHBondContact O-N 3.27Å; Y536-A538 VanDerWaalsContact C-N 3.33Å; Y536-A538 PolarHBondContact O-N 3.27Å; A538-G542 PolarHBondContact O-N 3.37Å; A538-K543 PolarHBondContact O-N 3.21Å; A538-L544 HydrophobicContact CB-CB 3.85Å; A538-L544 HydrophobicContact CB-CD2 4.29Å; A538-L544 PolarHBondContact O-N 3.21Å
539	M	91.3	Very high	90.8	Very high	8 Å²	8	73.8 Å²	73.8	4%	0.039	35%	0.348	C	S	.	.	H	α-helix	trans	-67.2	-43.8	174.1	-67.2	-171.9	-63.3	0	0	112	L526 F529 I535 Y536 K541 G542 L544 F546 R549	L526-M539 HydrophobicContact CD1-CB 3.79Å; L526-M539 HydrophobicContact CD1-CE 3.95Å; F529-M539 HydrophobicContact CB-CE 3.92Å; F529-M539 HydrophobicContact CD1-CE 4.13Å; F529-M539 HydrophobicContact CD2-CE 3.64Å; F529-M539 HydrophobicContact CE2-CE 4.19Å; F529-M539 HydrophobicContact CG-CE 3.61Å; I535-M539 HydrophobicContact CG2-CE 4.06Å; I535-M539 WeakPolarHBondContact O-CG 3.23Å; I535-M539 PolarHBondContact O-N 2.59Å; Y536-M539 PolarHBondContact O-N 2.72Å; M539-K541 PolarHBondContact O-N 3.3Å; M539-G542 PolarHBondContact O-N 3.46Å; M539-L544 HydrophobicContact CG-CB 4.06Å; M539-L544 HydrophobicContact CG-CD2 3.79Å; M539-L544 HydrophobicContact CG-CG 4.3Å; M539-F546 HydrophobicContact SD-CD2 4.42Å; M539-R549 HydrophobicContact SD-CG 4.09Å
540	K	90.6	Very high	91.1	Very high	128 Å²	128	76.6 Å²	76.6	56%	0.557	37%	0.369	S	S	*	.	H	α-helix	trans	-64.2	-36.3	179.4	-174.4	173.5	-174.3	171.7	0	113	L526 Y536 G542	L526-K540 HydrophobicContact CD2-CB 4.5Å; Y536-K540 HydrophobicContact CD1-CD 4.48Å; Y536-K540 HydrophobicContact CE1-CD 3.63Å; Y536-K540 WeakPolarHBondContact O-CB 3.46Å; Y536-K540 PolarHBondContact O-N 2.84Å; Y536-K540 PolarHBondContact OH-NZ 3.16Å; K540-G542 VanDerWaalsContact C-N 3.29Å
541	K	91.8	Very high	91.4	Very high	151 Å²	151	76.2 Å²	76.2	66%	0.657	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	7.2	174	-64.9	178	180	-178.6	0	113.4	N537 M539 K543	N537-K541 VanDerWaalsContact O-CB 3.25Å; N537-K541 WeakPolarHBondContact O-CB 3.44Å; N537-K541 VanDerWaalsContact O-CG 3.28Å; N537-K541 WeakPolarHBondContact O-CG 3.47Å; N537-K541 PolarHBondContact O-N 2.67Å; M539-K541 PolarHBondContact O-N 3.3Å; K541-K543 VanDerWaalsContact C-N 3.25Å; K541-K543 HydrophobicContact CB-CG 4.39Å; K541-K543 PolarHBondContact O-N 2.86Å
542	G	91.8	Very high	91.8	Very high	23 Å²	23	77.7 Å²	77.7	24%	0.237	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.8	23.5	178.3	0	0	0	0	0	115.5	A538 M539 K540 F553	A538-G542 PolarHBondContact O-N 3.37Å; M539-G542 PolarHBondContact O-N 3.46Å; K540-G542 VanDerWaalsContact C-N 3.29Å; G542-F553 WeakPolarHBondContact O-CD2 3.46Å
543	K	93.4	Very high	91.9	Very high	135 Å²	135	72.2 Å²	72.2	59%	0.587	34%	0.344	S	S	*	.			trans	-95.3	2.2	178	-61.4	-162	174.8	-163.6	0	113.8	A538 K541 R552 F553	A538-K543 PolarHBondContact O-N 3.21Å; K541-K543 VanDerWaalsContact C-N 3.25Å; K541-K543 HydrophobicContact CB-CG 4.39Å; K541-K543 PolarHBondContact O-N 2.86Å; K543-R552 CarbonylContact O-C 3.56Å; K543-R552 VanDerWaalsContact O-CA 3.31Å; K543-R552 WeakPolarHBondContact O-CA 3.39Å; K543-F553 PolarHBondContact O-N 3.05Å
544	L	93.9	Very high	91.9	Very high	8 Å²	8	68.6 Å²	68.6	4%	0.042	34%	0.337	C	S	.	.	B	Isolated β-bridge	trans	-141	137.7	179.9	-167.4	71.5	0	0	0	110.1	I535 A538 M539 F546 R549 R552	I535-L544 HydrophobicContact CG2-CD2 3.79Å; A538-L544 HydrophobicContact CB-CB 3.85Å; A538-L544 HydrophobicContact CB-CD2 4.29Å; A538-L544 PolarHBondContact O-N 3.21Å; M539-L544 HydrophobicContact CG-CB 4.06Å; M539-L544 HydrophobicContact CG-CD2 3.79Å; M539-L544 HydrophobicContact CG-CG 4.3Å; L544-F546 PolarHBondContact O-N 3.48Å; L544-R549 WeakPolarHBondContact CD2-O 3.35Å; L544-R552 HydrophobicContact CD1-CB 4.42Å; L544-R552 HydrophobicContact CD1-CG 3.48Å; L544-R552 VanDerWaalsContact CD1-CG 3.48Å
545	C	94.8	Very high	91.3	Very high	0 Å²	0	72 Å²	72	0%	0	35%	0.346	C	S	.	.			trans	-63	121.2	178.4	172.8	0	0	0	0	111.3	C547 C548 R549 K551 F553 C570	C545-C547 PolarHBondContact O-N 2.84Å; C545-C548 PolarHBondContact SG-SG 2.85Å; C545-R549 VanDerWaalsContact O-CA 3.25Å; C545-R549 WeakPolarHBondContact O-CA 3.41Å; C545-R549 PolarHBondContact O-N 2.73Å; C545-K551 HydrophobicContact CB-CB 4.17Å; C545-K551 WeakPolarHBondContact CB-O 3.32Å; C545-K551 PolarHBondContact N-O 3.39Å; C545-F553 VanDerWaalsContact CA-CE2 3.48Å; C545-F553 HydrophobicContact CB-CE1 4.45Å; C545-F553 HydrophobicContact CB-CE2 4.09Å; C545-F553 HydrophobicContact CB-CZ 3.63Å; C545-F553 VanDerWaalsContact N-CE2 3.27Å; C545-C570 HydrophobicContact CB-CB 4.34Å; C545-C570 PolarHBondContact SG-N 3.43Å
546	F	94.5	Very high	90.9	Very high	3 Å²	3	78.1 Å²	78.1	1%	0.013	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-40.3	-175.3	-172.4	-97.4	0	0	0	114.1	V522 E525 L526 M539 L544 R549 K567 P568 V569	V522-F546 HydrophobicContact CB-CZ 4.35Å; V522-F546 HydrophobicContact CG1-CE1 4.02Å; V522-F546 HydrophobicContact CG1-CE2 4.16Å; V522-F546 HydrophobicContact CG1-CZ 3.68Å; V522-F546 HydrophobicContact CG2-CE1 4.03Å; V522-F546 HydrophobicContact CG2-CZ 4.25Å; E525-F546 HydrophobicContact CB-CZ 4.23Å; L526-F546 HydrophobicContact CB-CE2 4.39Å; M539-F546 HydrophobicContact SD-CD2 4.42Å; L544-F546 PolarHBondContact O-N 3.48Å; F546-R549 WeakPolarHBondContact O-CG 3.2Å; F546-K567 HydrophobicContact CB-CB 3.82Å; F546-K567 HydrophobicContact CB-CG 4.36Å; F546-K567 HydrophobicContact CD1-CB 4.37Å; F546-K567 HydrophobicContact CD1-CG 4.25Å; F546-K567 HydrophobicContact CD2-CB 4.38Å; F546-K567 HydrophobicContact CD2-CD 4.1Å; F546-K567 HydrophobicContact CD2-CG 4Å; F546-K567 HydrophobicContact CE2-CD 4.44Å; F546-K567 HydrophobicContact CE2-CG 4.41Å; F546-K567 HydrophobicContact CG-CB 3.93Å; F546-K567 HydrophobicContact CG-CD 4.49Å; F546-K567 HydrophobicContact CG-CG 3.92Å; F546-P568 PolarHBondContact N-O 3.26Å; F546-V569 HydrophobicContact CB-CG1 4.33Å
547	C	92.8	Very high	90.5	Very high	9 Å²	9	79.7 Å²	79.7	6%	0.061	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-65.6	-177.5	-53.2	0	0	0	0	112.8	C545 R549 V569 C573 C646 V647 D648	C545-C547 PolarHBondContact O-N 2.84Å; C547-R549 PolarHBondContact O-N 3.39Å; C547-R549 PolarHBondContact O-NH1 3.38Å; C547-V569 VanDerWaalsContact SG-CG1 3.54Å; C547-C573 HydrophobicContact CB-CB 3.94Å; C547-C646 VanDerWaalsContact SG-CB 3.51Å; C547-V647 HydrophobicContact CB-CG2 4.32Å; C547-D648 WeakPolarHBondContact CB-OD2 3.49Å; C547-D648 PolarHBondContact SG-OD2 3.2Å
548	C	92.6	Very high	90.3	Very high	46 Å²	46	87.4 Å²	87.4	31%	0.311	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-15	-175.7	68	0	0	0	0	114.8	C545 T550	C545-C548 PolarHBondContact SG-SG 2.85Å; C548-T550 PolarHBondContact O-N 3.15Å; C548-T550 PolarHBondContact O-OG1 3.32Å
549	R	92.1	Very high	90.3	Very high	99 Å²	99	88.1 Å²	88.1	37%	0.374	41%	0.413	S	S	.	.	S	Bend	trans	55.7	6	177.2	-53.5	178.9	-170.8	89.1	6.4	116.2	M539 L544 C545 F546 C547	M539-R549 HydrophobicContact SD-CG 4.09Å; L544-R549 WeakPolarHBondContact CD2-O 3.35Å; C545-R549 VanDerWaalsContact O-CA 3.25Å; C545-R549 WeakPolarHBondContact O-CA 3.41Å; C545-R549 PolarHBondContact O-N 2.73Å; F546-R549 WeakPolarHBondContact O-CG 3.2Å; C547-R549 PolarHBondContact O-N 3.39Å; C547-R549 PolarHBondContact O-NH1 3.38Å
550	T	91.2	Very high	90.4	Very high	109 Å²	109	91.5 Å²	91.5	67%	0.669	43%	0.426	S	S	*	.			trans	-109.8	-42.9	-178	49.2	0	0	0	0	112.9	C548 R552	C548-T550 PolarHBondContact O-N 3.15Å; C548-T550 PolarHBondContact O-OG1 3.32Å; T550-R552 PolarHBondContact O-N 2.85Å
551	K	92.6	Very high	90.5	Very high	112 Å²	112	88.7 Å²	88.7	49%	0.487	42%	0.419	S	S	.	.			trans	-71.8	113.9	179.7	-66.1	-65.3	-175.6	-178.8	0	110.9	C545 C570	C545-K551 HydrophobicContact CB-CB 4.17Å; C545-K551 WeakPolarHBondContact CB-O 3.32Å; C545-K551 PolarHBondContact N-O 3.39Å; K551-C570 HydrophobicContact CB-CB 4.09Å; K551-C570 HydrophobicContact CG-CB 4.28Å
552	R	92.7	Very high	90.6	Very high	195 Å²	195	81.5 Å²	81.5	74%	0.736	39%	0.388	S	S	*	.	B	Isolated β-bridge	trans	-84.4	146.5	171.4	-71.2	176.3	179.9	168.8	0	111.3	K543 L544 T550 T557	K543-R552 CarbonylContact O-C 3.56Å; K543-R552 VanDerWaalsContact O-CA 3.31Å; K543-R552 WeakPolarHBondContact O-CA 3.39Å; L544-R552 HydrophobicContact CD1-CB 4.42Å; L544-R552 HydrophobicContact CD1-CG 3.48Å; L544-R552 VanDerWaalsContact CD1-CG 3.48Å; T550-R552 PolarHBondContact O-N 2.85Å; R552-T557 PolarHBondContact O-OG1 2.69Å; R552-T557 VanDerWaalsContact O-OG1 3.06Å
553	F	92.9	Very high	90.5	Very high	26 Å²	26	84.8 Å²	84.8	11%	0.114	40%	0.397	C	S	.	.			trans	-102.2	139.2	176.8	-53.8	-60.1	0	0	0	110.9	G542 K543 C545 T557 P568 V569 C570	G542-F553 WeakPolarHBondContact O-CD2 3.46Å; K543-F553 PolarHBondContact O-N 3.05Å; C545-F553 VanDerWaalsContact CA-CE2 3.48Å; C545-F553 HydrophobicContact CB-CE1 4.45Å; C545-F553 HydrophobicContact CB-CE2 4.09Å; C545-F553 HydrophobicContact CB-CZ 3.63Å; C545-F553 VanDerWaalsContact N-CE2 3.27Å; F553-T557 WeakPolarHBondContact CA-OG1 3.41Å; F553-P568 HydrophobicContact CD2-CB 4.42Å; F553-P568 HydrophobicContact CE2-CB 3.85Å; F553-P568 HydrophobicContact CE2-CG 4.33Å; F553-V569 VanDerWaalsContact CZ-C 3.46Å; F553-C570 HydrophobicContact CE1-CB 4.11Å; F553-C570 HydrophobicContact CZ-CB 4.46Å
554	S	86.7	Confident	90.3	Very high	74 Å²	74	78.4 Å²	78.4	52%	0.517	37%	0.369	S	S	.	.	B	Isolated β-bridge	trans	-157.4	179.5	-174.9	-168.9	0	0	0	0	108.7	F556 T557	S554-F556 PolarHBondContact O-N 2.95Å; S554-T557 PolarHBondContact N-O 2.8Å; S554-T557 PolarHBondContact N-OG1 3.15Å; S554-T557 CarbonylContact O-C 3.45Å; S554-T557 PolarHBondContact O-N 3.42Å
555	F	78.3	Confident	90.2	Very high	203 Å²	203	78.1 Å²	78.1	89%	0.89	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-30.9	-177.7	-56	-75.8	0	0	0	114
556	F	80.1	Confident	90.1	Very high	201 Å²	201	82.9 Å²	82.9	88%	0.882	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	-0.5	177.6	-54.8	-73.4	0	0	0	114.5	S554	S554-F556 PolarHBondContact O-N 2.95Å
557	T	82.9	Confident	90.1	Very high	68 Å²	68	85.2 Å²	85.2	42%	0.417	40%	0.402	S	S	.	.	B	Isolated β-bridge	trans	-133.1	90.4	-176.9	52	0	0	0	0	111.6	R552 F553 S554	R552-T557 PolarHBondContact O-OG1 2.69Å; R552-T557 VanDerWaalsContact O-OG1 3.06Å; F553-T557 WeakPolarHBondContact CA-OG1 3.41Å; S554-T557 PolarHBondContact N-O 2.8Å; S554-T557 PolarHBondContact N-OG1 3.15Å; S554-T557 CarbonylContact O-C 3.45Å; S554-T557 PolarHBondContact O-N 3.42Å
558	W	87.2	Confident	90.2	Very high	214 Å²	214	85.8 Å²	85.8	81%	0.811	41%	0.406	S	S	*	.			trans	-61.9	151.5	-179	-157.1	-88.1	0	0	0	113.2
559	S	92.3	Very high	90.3	Very high	38 Å²	38	83.6 Å²	83.6	27%	0.266	39%	0.391	S	S	.	.			trans	-116.3	140.2	175.8	63.9	0	0	0	0	111.6
560	Y	93.3	Very high	90.5	Very high	80 Å²	80	79.4 Å²	79.4	31%	0.314	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	134.6	178.4	-61.2	-94.6	0	0	0	108.3	P568 V569 C574 E644	Y560-P568 CarbonylContact O-C 3.53Å; Y560-P568 WeakPolarHBondContact O-CA 3.19Å; Y560-V569 PolarHBondContact N-O 3.08Å; Y560-V569 WeakPolarHBondContact O-CG2 3.43Å; Y560-V569 PolarHBondContact O-N 3.11Å; Y560-C574 HydrophobicContact CG-CB 4.23Å; Y560-E644 WeakPolarHBondContact CD1-OE1 3.23Å; Y560-E644 WeakPolarHBondContact CD1-OE2 3.35Å
561	T	93.3	Very high	90.5	Very high	68 Å²	68	77.8 Å²	77.8	42%	0.417	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	113.4	-178.4	-63.2	0	0	0	0	109.6	Q563 I566	T561-Q563 PolarHBondContact O-N 2.91Å; T561-Q563 VanDerWaalsContact O-N 3.07Å; T561-I566 HydrophobicContact CG2-CG2 4.45Å
562	C	93.4	Very high	90.5	Very high	0 Å²	0	79 Å²	79	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	113.1	170.2	176.9	0	0	0	0	109.1	F564 I566 K567 C646	C562-F564 PolarHBondContact O-N 3.18Å; C562-I566 VanDerWaalsContact O-CA 3.26Å; C562-I566 WeakPolarHBondContact O-CA 3.45Å; C562-I566 PolarHBondContact O-N 3.13Å; C562-K567 PolarHBondContact N-O 2.84Å; C562-C646 HydrophobicContact CB-CB 3.93Å; C562-C646 PolarHBondContact SG-N 3.16Å; C562-C646 VanDerWaalsContact SG-SG 3.65Å
563	Q	89.3	Confident	90.6	Very high	92 Å²	92	70.3 Å²	70.3	43%	0.43	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-31.8	-178.5	-66.9	-69.3	-6.6	0	0	112	M515 T561 M643 E644	M515-Q563 WeakPolarHBondContact CE-O 3.41Å; T561-Q563 PolarHBondContact O-N 2.91Å; T561-Q563 VanDerWaalsContact O-N 3.07Å; Q563-M643 HydrophobicContact CB-CE 3.86Å; Q563-M643 HydrophobicContact CG-CB 4.4Å; Q563-M643 HydrophobicContact CG-CE 4.02Å; Q563-E644 WeakPolarHBondContact CG-O 3.2Å; Q563-E644 PolarHBondContact N-O 3.07Å
564	F	88.7	Confident	90.6	Very high	2 Å²	2	69.7 Å²	69.7	1%	0.009	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-47.3	-174.2	-140	-95.5	0	0	0	113.2	V511 V514 M515 R518 Q519 C562 L579 V645 C649 F652 I653	V511-F564 HydrophobicContact CG1-CE2 4.31Å; V514-F564 HydrophobicContact CB-CZ 4.18Å; V514-F564 HydrophobicContact CG1-CE1 3.92Å; V514-F564 HydrophobicContact CG1-CZ 3.86Å; V514-F564 WeakPolarHBondContact O-CE1 3.36Å; M515-F564 HydrophobicContact CB-CE1 4.4Å; M515-F564 HydrophobicContact CB-CE2 4.46Å; M515-F564 HydrophobicContact CB-CZ 4.32Å; M515-F564 HydrophobicContact CG-CD1 4.13Å; M515-F564 HydrophobicContact CG-CD2 3.46Å; M515-F564 VanDerWaalsContact CG-CD2 3.46Å; M515-F564 HydrophobicContact CG-CE1 3.98Å; M515-F564 HydrophobicContact CG-CE2 3.28Å; M515-F564 HydrophobicContact CG-CG 3.89Å; M515-F564 HydrophobicContact CG-CZ 3.55Å; M515-F564 HydrophobicContact SD-CD2 4.32Å; M515-F564 HydrophobicContact SD-CE2 4.3Å; R518-F564 HydrophobicContact CB-CD1 3.83Å; R518-F564 HydrophobicContact CB-CE1 4.04Å; R518-F564 HydrophobicContact CG-CD1 4.08Å; Q519-F564 WeakPolarHBondContact CG-O 3.44Å; Q519-F564 PolarHBondContact NE2-O 3.11Å; C562-F564 PolarHBondContact O-N 3.18Å; F564-L579 HydrophobicContact CD2-CD1 4.26Å; F564-L579 HydrophobicContact CE2-CD1 4.31Å; F564-V645 HydrophobicContact CB-CG1 4.38Å; F564-C649 HydrophobicContact CB-CB 4.04Å; F564-F652 HydrophobicContact CE1-CD1 4.32Å; F564-F652 HydrophobicContact CE1-CE1 4.28Å; F564-I653 HydrophobicContact CD1-CD1 4.08Å; F564-I653 HydrophobicContact CD1-CG1 4.15Å; F564-I653 HydrophobicContact CD2-CD1 3.47Å; F564-I653 VanDerWaalsContact CD2-CD1 3.47Å; F564-I653 HydrophobicContact CD2-CG1 4.17Å; F564-I653 HydrophobicContact CE1-CD1 4.09Å; F564-I653 HydrophobicContact CE1-CG1 3.75Å; F564-I653 HydrophobicContact CE2-CD1 3.49Å; F564-I653 VanDerWaalsContact CE2-CD1 3.49Å; F564-I653 HydrophobicContact CE2-CG1 3.77Å; F564-I653 HydrophobicContact CG-CD1 3.78Å; F564-I653 HydrophobicContact CG-CG1 4.35Å; F564-I653 HydrophobicContact CZ-CD1 3.82Å; F564-I653 HydrophobicContact CZ-CG1 3.55Å
565	C	92	Very high	90.8	Very high	2 Å²	2	70.2 Å²	70.2	1%	0.014	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	-3.1	-177.4	68.6	0	0	0	0	115.3	R518 V522 K567 C649	R518-C565 HydrophobicContact CG-CB 4.11Å; V522-C565 HydrophobicContact CB-CB 4.27Å; V522-C565 HydrophobicContact CG1-CB 4.22Å; V522-C565 HydrophobicContact CG2-CB 3.82Å; C565-K567 PolarHBondContact O-N 3.42Å; C565-C649 VanDerWaalsContact SG-SG 3.63Å
566	I	93.3	Very high	91.2	Very high	99 Å²	99	67.4 Å²	67.4	51%	0.508	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.9	55.6	-179	-40.7	179.8	0	0	0	110.8	Q519 T561 C562	Q519-I566 HydrophobicContact CG-CG1 4.45Å; T561-I566 HydrophobicContact CG2-CG2 4.45Å; C562-I566 VanDerWaalsContact O-CA 3.26Å; C562-I566 WeakPolarHBondContact O-CA 3.45Å; C562-I566 PolarHBondContact O-N 3.13Å
567	K	94.4	Very high	91.3	Very high	52 Å²	52	58.1 Å²	58.1	23%	0.226	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	144.1	175.3	-61	-63.6	163.1	-132.7	0	112.3	V522 F546 C562 C565	V522-K567 HydrophobicContact CG1-CD 4Å; V522-K567 HydrophobicContact CG1-CG 3.6Å; F546-K567 HydrophobicContact CB-CB 3.82Å; F546-K567 HydrophobicContact CB-CG 4.36Å; F546-K567 HydrophobicContact CD1-CB 4.37Å; F546-K567 HydrophobicContact CD1-CG 4.25Å; F546-K567 HydrophobicContact CD2-CB 4.38Å; F546-K567 HydrophobicContact CD2-CD 4.1Å; F546-K567 HydrophobicContact CD2-CG 4Å; F546-K567 HydrophobicContact CE2-CD 4.44Å; F546-K567 HydrophobicContact CE2-CG 4.41Å; F546-K567 HydrophobicContact CG-CB 3.93Å; F546-K567 HydrophobicContact CG-CD 4.49Å; F546-K567 HydrophobicContact CG-CG 3.92Å; C562-K567 PolarHBondContact N-O 2.84Å; C565-K567 PolarHBondContact O-N 3.42Å
568	P	94.9	Very high	91.1	Very high	21 Å²	21	59.4 Å²	59.4	14%	0.136	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	132.7	176	29.6	-31.2	0	0	0	111.5	F546 F553 Y560	F546-P568 PolarHBondContact N-O 3.26Å; F553-P568 HydrophobicContact CD2-CB 4.42Å; F553-P568 HydrophobicContact CE2-CB 3.85Å; F553-P568 HydrophobicContact CE2-CG 4.33Å; Y560-P568 CarbonylContact O-C 3.53Å; Y560-P568 WeakPolarHBondContact O-CA 3.19Å
569	V	95.7	Very high	90.3	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	154	-179.3	-61.5	0	0	0	0	110.8	F546 C547 F553 Y560 C573 C574 C646	F546-V569 HydrophobicContact CB-CG1 4.33Å; C547-V569 VanDerWaalsContact SG-CG1 3.54Å; F553-V569 VanDerWaalsContact CZ-C 3.46Å; Y560-V569 PolarHBondContact N-O 3.08Å; Y560-V569 WeakPolarHBondContact O-CG2 3.43Å; Y560-V569 PolarHBondContact O-N 3.11Å; V569-C573 HydrophobicContact CB-CB 4.03Å; V569-C574 HydrophobicContact CG2-CB 4.1Å; V569-C646 HydrophobicContact CB-CB 4.34Å; V569-C646 HydrophobicContact CG1-CB 3.77Å; V569-C646 HydrophobicContact CG2-CB 4.01Å
570	C	94.7	Very high	89.2	Confident	11 Å²	11	47.8 Å²	47.8	7%	0.074	23%	0.233	C	C	.	.			trans	-77.6	162.8	176.8	66.9	0	0	0	0	111	C545 K551 F553 Q572 C573 C574	C545-C570 HydrophobicContact CB-CB 4.34Å; C545-C570 PolarHBondContact SG-N 3.43Å; K551-C570 HydrophobicContact CB-CB 4.09Å; K551-C570 HydrophobicContact CG-CB 4.28Å; F553-C570 HydrophobicContact CE1-CB 4.11Å; F553-C570 HydrophobicContact CZ-CB 4.46Å; C570-Q572 PolarHBondContact O-N 2.72Å; C570-Q572 VanDerWaalsContact O-N 3.12Å; C570-C573 CarbonylContact O-C 3.48Å; C570-C573 WeakPolarHBondContact O-CA 3.36Å; C570-C573 PolarHBondContact O-N 2.73Å; C570-C573 VanDerWaalsContact SG-SG 3.61Å; C570-C574 PolarHBondContact O-N 2.88Å
571	S	92.3	Very high	87.9	Confident	75 Å²	75	46.3 Å²	46.3	52%	0.524	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-35.6	178.6	51	0	0	0	0	113.8	C574	S571-C574 PolarHBondContact O-N 3.19Å
572	Q	92.3	Very high	86.1	Confident	138 Å²	138	49.8 Å²	49.8	65%	0.645	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-35	176.5	-67.1	177.2	-27.5	0	0	112.7	C570 K575	C570-Q572 PolarHBondContact O-N 2.72Å; C570-Q572 VanDerWaalsContact O-N 3.12Å; Q572-K575 PolarHBondContact O-NZ 2.69Å
573	C	94.1	Very high	84.1	Confident	13 Å²	13	54.4 Å²	54.4	9%	0.088	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-16.1	177.1	-67.3	0	0	0	0	113.5	C547 V569 C570 C646 V647	C547-C573 HydrophobicContact CB-CB 3.94Å; V569-C573 HydrophobicContact CB-CB 4.03Å; C570-C573 CarbonylContact O-C 3.48Å; C570-C573 WeakPolarHBondContact O-CA 3.36Å; C570-C573 PolarHBondContact O-N 2.73Å; C570-C573 VanDerWaalsContact SG-SG 3.61Å; C573-C646 CarbonylContact O-C 3.58Å; C573-C646 VanDerWaalsContact O-CA 3.24Å; C573-C646 WeakPolarHBondContact O-CA 3.35Å; C573-V647 HydrophobicContact CB-CG2 4.34Å; C573-V647 PolarHBondContact O-N 3.44Å
574	C	92.9	Very high	82.4	Confident	12 Å²	12	56.4 Å²	56.4	8%	0.081	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	144.9	172.2	-167.2	0	0	0	0	111.3	Y560 V569 C570 S571	Y560-C574 HydrophobicContact CG-CB 4.23Å; V569-C574 HydrophobicContact CG2-CB 4.1Å; C570-C574 PolarHBondContact O-N 2.88Å; S571-C574 PolarHBondContact O-N 3.19Å
575	K	91.6	Very high	81.1	Confident	86 Å²	86	56.9 Å²	56.9	37%	0.374	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	147.1	174	-60.9	-71.5	160.7	-93	0	108.5	Q572 V645 V647	Q572-K575 PolarHBondContact O-NZ 2.69Å; K575-V645 PolarHBondContact N-O 2.61Å; K575-V645 PolarHBondContact O-N 3.22Å; K575-V647 HydrophobicContact CD-CG1 4.34Å; K575-V647 HydrophobicContact CG-CG1 3.76Å
576	K	85.9	Confident	79.6	Confident	144 Å²	144	60.8 Å²	60.8	63%	0.626	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.1	142.8	167.2	-65.5	-168.7	176.7	-169.7	0	109.9	M643	K576-M643 WeakPolarHBondContact CA-O 3.09Å
577	M	82.4	Confident	78.5	Confident	5 Å²	5	58.3 Å²	58.3	3%	0.025	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	137.7	175.2	-173.7	166.9	179.8	0	0	108.4	L579 N596 T642 M643 V645 K650 I653	M577-L579 HydrophobicContact CE-CD2 4.09Å; M577-L579 HydrophobicContact CG-CD2 4.46Å; M577-L579 HydrophobicContact CG-CG 4.29Å; M577-L579 HydrophobicContact SD-CD2 4.48Å; M577-N596 HydrophobicContact CE-CB 4.26Å; M577-T642 CarbonylContact O-C 3.3Å; M577-T642 WeakPolarHBondContact O-CA 3.32Å; M577-M643 PolarHBondContact N-O 3.08Å; M577-M643 VanDerWaalsContact N-O 3.08Å; M577-M643 PolarHBondContact O-N 3.02Å; M577-V645 HydrophobicContact CB-CG2 4.22Å; M577-K650 HydrophobicContact SD-CD 4.36Å; M577-K650 HydrophobicContact SD-CG 4.04Å; M577-I653 HydrophobicContact CE-CB 4.44Å; M577-I653 HydrophobicContact CE-CG2 3.66Å; M577-I653 HydrophobicContact SD-CD1 4.32Å; M577-I653 HydrophobicContact SD-CG2 4.45Å
578	R	78.3	Confident	77.6	Confident	95 Å²	95	57.1 Å²	57.1	36%	0.358	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	127.9	171.7	-70.9	-172.5	-178.6	-170.6	0.9	108.5	N596 W640 T642	R578-N596 PolarHBondContact N-OD1 3.11Å; R578-N596 PolarHBondContact O-ND2 3Å; R578-N596 PolarHBondContact O-OD1 3.44Å; R578-W640 HydrophobicContact CB-CB 4Å; R578-W640 HydrophobicContact CB-CE3 4.25Å; R578-T642 HydrophobicContact CG-CG2 4Å
579	L	71.9	Confident	76.7	Confident	2 Å²	2	56.2 Å²	56.2	1%	0.01	29%	0.288	C	S	.	.			trans	-138.1	151.4	175.8	-70.6	174.3	0	0	0	109.5	F564 M577 S581 I592 A641 M643 V645	F564-L579 HydrophobicContact CD2-CD1 4.26Å; F564-L579 HydrophobicContact CE2-CD1 4.31Å; M577-L579 HydrophobicContact CE-CD2 4.09Å; M577-L579 HydrophobicContact CG-CD2 4.46Å; M577-L579 HydrophobicContact CG-CG 4.29Å; M577-L579 HydrophobicContact SD-CD2 4.48Å; L579-S581 PolarHBondContact O-N 3.4Å; L579-S581 VanDerWaalsContact O-N 3.15Å; L579-I592 HydrophobicContact CD2-CD1 3.87Å; L579-A641 PolarHBondContact N-O 3.06Å; L579-M643 HydrophobicContact CB-CG 4.35Å; L579-M643 HydrophobicContact CB-SD 3.9Å; L579-M643 HydrophobicContact CD1-SD 3.99Å; L579-V645 HydrophobicContact CD1-CG2 4.27Å
580	P	68.1	Low	75.4	Confident	6 Å²	6	58.4 Å²	58.4	4%	0.039	30%	0.297	C	S	.	.			trans	-60.5	115.5	173.8	-21.8	32.7	0	0	0	111.6	V511 Y584 L587 I592 W640	V511-P580 HydrophobicContact CG2-CG 4.49Å; P580-Y584 WeakPolarHBondContact CB-O 3.35Å; P580-L587 HydrophobicContact CB-CD1 4.31Å; P580-L587 HydrophobicContact CG-CD1 4.24Å; P580-I592 HydrophobicContact CG-CD1 4.3Å; P580-I592 HydrophobicContact CG-CG1 4.38Å; P580-W640 HydrophobicContact CG-CD2 4.27Å; P580-W640 HydrophobicContact CG-CZ2 4.14Å
581	S	65.6	Low	74.3	Confident	49 Å²	49	58.7 Å²	58.7	34%	0.343	30%	0.299	S	S	.	.			trans	-76.7	161.5	168.9	43.7	0	0	0	0	111.1	L579 Y584	L579-S581 PolarHBondContact O-N 3.4Å; L579-S581 VanDerWaalsContact O-N 3.15Å; S581-Y584 WeakPolarHBondContact O-CA 3.45Å; S581-Y584 WeakPolarHBondContact O-CB 3.2Å; S581-Y584 PolarHBondContact O-N 3.38Å
582	K	56.5	Low	73.2	Confident	142 Å²	142	55.2 Å²	55.2	62%	0.617	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	135.3	174.6	-56.7	-150.8	176.5	-146	0	109.8	E512	E512-K582 IonicContact OE1-NZ 2.64Å; E512-K582 PolarHBondContact OE1-NZ 3.3Å; E512-K582 WeakPolarHBondContact OE2-CE 3.39Å; E512-K582 IonicContact OE2-NZ 2.83Å; E512-K582 PolarHBondContact OE2-NZ 3.11Å
583	P	52.3	Low	71.7	Confident	96 Å²	96	49.3 Å²	49.3	62%	0.623	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	cis	-81.3	-10	14.8	33.1	-37.7	0	0	0	116.3	S585 S586	P583-S585 VanDerWaalsContact C-N 3.25Å; P583-S585 PolarHBondContact O-N 3.03Å; P583-S585 VanDerWaalsContact O-N 3.13Å; P583-S586 PolarHBondContact O-OG 2.99Å
584	Y	53.3	Low	69.6	Low	134 Å²	134	52.4 Å²	52.4	53%	0.525	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-78.3	9	-169.3	-52.6	-79.8	0	0	0	115.6	P580 S581 S586 L587	P580-Y584 WeakPolarHBondContact CB-O 3.35Å; S581-Y584 WeakPolarHBondContact O-CA 3.45Å; S581-Y584 WeakPolarHBondContact O-CB 3.2Å; S581-Y584 PolarHBondContact O-N 3.38Å; Y584-S586 PolarHBondContact O-N 3.41Å; Y584-L587 HydrophobicContact CD1-CD1 4.47Å; Y584-L587 WeakPolarHBondContact O-CB 3.45Å; Y584-L587 WeakPolarHBondContact O-CG 3.42Å; Y584-L587 PolarHBondContact O-N 3.36Å
585	S	59.8	Low	67.3	Low	13 Å²	13	57.5 Å²	57.5	9%	0.091	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-67.3	-13.4	176.7	60.2	0	0	0	0	113.9	V511 E512 P583	V511-S585 PolarHBondContact N-O 2.85Å; E512-S585 PolarHBondContact N-O 2.95Å; E512-S585 PolarHBondContact OE2-OG 2.82Å; P583-S585 VanDerWaalsContact C-N 3.25Å; P583-S585 PolarHBondContact O-N 3.03Å; P583-S585 VanDerWaalsContact O-N 3.13Å
586	S	62.4	Low	65.1	Low	83 Å²	83	54.7 Å²	54.7	58%	0.58	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-83	-2.1	171.6	55.1	0	0	0	0	114.3	T510 P583 Y584	T510-S586 VanDerWaalsContact CG2-O 3.29Å; T510-S586 WeakPolarHBondContact CG2-O 3.2Å; P583-S586 PolarHBondContact O-OG 2.99Å; Y584-S586 PolarHBondContact O-N 3.41Å
587	L	69.9	Low	62.7	Low	47 Å²	47	52.8 Å²	52.8	25%	0.246	29%	0.294	C	S	.	.	S	Bend	trans	-65.5	140.2	172.9	-71.4	179.2	0	0	0	110.8	T510 V511 P580 Y584 L632	T510-L587 WeakPolarHBondContact CA-O 3.28Å; V511-L587 PolarHBondContact N-O 2.87Å; P580-L587 HydrophobicContact CB-CD1 4.31Å; P580-L587 HydrophobicContact CG-CD1 4.24Å; Y584-L587 HydrophobicContact CD1-CD1 4.47Å; Y584-L587 WeakPolarHBondContact O-CB 3.45Å; Y584-L587 WeakPolarHBondContact O-CG 3.42Å; Y584-L587 PolarHBondContact O-N 3.36Å; L587-L632 HydrophobicContact CD1-CD1 4.23Å
588	P	75.5	Confident	60.3	Low	28 Å²	28	59.1 Å²	59.1	18%	0.182	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-59	137.1	171.4	-24.9	35.2	0	0	0	111.9	Y590 S591	P588-Y590 HydrophobicContact CB-CD1 3.68Å; P588-Y590 HydrophobicContact CB-CD2 4.49Å; P588-Y590 HydrophobicContact CB-CE1 3.32Å; P588-Y590 HydrophobicContact CB-CE2 4.17Å; P588-Y590 HydrophobicContact CB-CG 4.25Å; P588-Y590 HydrophobicContact CG-CE1 4.05Å; P588-Y590 PolarHBondContact O-N 3.17Å; P588-S591 WeakPolarHBondContact O-CB 3.2Å; P588-S591 PolarHBondContact O-N 3.41Å
589	I	76.1	Confident	58	Low	1 Å²	1	60 Å²	60	1%	0.005	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-64.4	-25.4	-175.5	-164.5	162.9	0	0	0	113	L509 V514 S591 I592 I653 I656 I657	L509-I589 HydrophobicContact CB-CG2 4.32Å; L509-I589 WeakPolarHBondContact O-CB 3.37Å; L509-I589 WeakPolarHBondContact O-CG2 3.25Å; L509-I589 PolarHBondContact O-N 2.99Å; V514-I589 HydrophobicContact CB-CD1 3.88Å; V514-I589 HydrophobicContact CG1-CD1 3.77Å; V514-I589 HydrophobicContact CG2-CD1 3.78Å; V514-I589 HydrophobicContact CG2-CG2 4.45Å; I589-S591 PolarHBondContact O-N 3.06Å; I589-I592 HydrophobicContact CG1-CD1 4.33Å; I589-I592 WeakPolarHBondContact O-CB 3.36Å; I589-I592 PolarHBondContact O-N 3.11Å; I589-I653 HydrophobicContact CD1-CG2 4.48Å; I589-I656 HydrophobicContact CD1-CG2 3.95Å; I589-I656 HydrophobicContact CG2-CG2 3.9Å; I589-I657 HydrophobicContact CD1-CG1 4.37Å; I589-I657 HydrophobicContact CG1-CG1 3.76Å
590	Y	68.4	Low	55.9	Low	46 Å²	46	71.1 Å²	71.1	18%	0.18	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-65.8	-22.4	173.7	66	-109	0	0	0	113.4	P588 I592 K661 L664	P588-Y590 HydrophobicContact CB-CD1 3.68Å; P588-Y590 HydrophobicContact CB-CD2 4.49Å; P588-Y590 HydrophobicContact CB-CE1 3.32Å; P588-Y590 HydrophobicContact CB-CE2 4.17Å; P588-Y590 HydrophobicContact CB-CG 4.25Å; P588-Y590 HydrophobicContact CG-CE1 4.05Å; P588-Y590 PolarHBondContact O-N 3.17Å; Y590-I592 PolarHBondContact O-N 2.96Å; Y590-K661 WeakPolarHBondContact O-CE 3.22Å; Y590-L664 HydrophobicContact CD1-CD2 4.13Å; Y590-L664 HydrophobicContact CD2-CD2 3.43Å; Y590-L664 VanDerWaalsContact CD2-CD2 3.43Å; Y590-L664 HydrophobicContact CE1-CD2 4.23Å; Y590-L664 HydrophobicContact CE2-CD2 3.6Å; Y590-L664 HydrophobicContact CG-CD2 3.75Å
591	S	70.2	Confident	54	Low	17 Å²	17	77 Å²	77	12%	0.119	42%	0.418	C	S	.	.	G	3₁₀ helix	trans	-76.7	-6	177.5	-61.7	0	0	0	0	112.9	P588 I589 G593	P588-S591 WeakPolarHBondContact O-CB 3.2Å; P588-S591 PolarHBondContact O-N 3.41Å; I589-S591 PolarHBondContact O-N 3.06Å; S591-G593 PolarHBondContact O-N 3.05Å
592	I	70.8	Confident	52.3	Low	2 Å²	2	85.7 Å²	85.7	1%	0.01	44%	0.443	C	S	.	.	S	Bend	trans	-76.9	120.8	175.2	-63.5	-177.5	0	0	0	109.4	V511 L579 P580 I589 Y590 W640 I657 K661	V511-I592 HydrophobicContact CG2-CD1 3.76Å; L579-I592 HydrophobicContact CD2-CD1 3.87Å; P580-I592 HydrophobicContact CG-CD1 4.3Å; P580-I592 HydrophobicContact CG-CG1 4.38Å; I589-I592 HydrophobicContact CG1-CD1 4.33Å; I589-I592 WeakPolarHBondContact O-CB 3.36Å; I589-I592 PolarHBondContact O-N 3.11Å; Y590-I592 PolarHBondContact O-N 2.96Å; I592-W640 HydrophobicContact CB-CH2 4.48Å; I592-W640 HydrophobicContact CG1-CH2 4.34Å; I592-W640 HydrophobicContact CG2-CH2 4.39Å; I592-W640 HydrophobicContact CG2-CZ3 4.01Å; I592-I657 HydrophobicContact CB-CD1 3.97Å; I592-I657 HydrophobicContact CB-CG1 4.4Å; I592-I657 HydrophobicContact CG2-CD1 3.72Å; I592-K661 WeakPolarHBondContact O-CE 3.49Å; I592-K661 PolarHBondContact O-NZ 3.14Å
593	G	59.6	Low	50.9	Low	14 Å²	14	88.3 Å²	88.3	14%	0.144	46%	0.455	C	S	.	.			trans	-61.3	144.1	-179.3	0	0	0	0	0	113.2	S591 T595 E631	S591-G593 PolarHBondContact O-N 3.05Å; G593-T595 PolarHBondContact O-N 3.38Å; G593-E631 WeakPolarHBondContact CA-OE2 3.3Å
594	S	50.2	Low	49.7	Very low	79 Å²	79	88.1 Å²	88.1	55%	0.552	46%	0.461	S	S	*	.	S	Bend	trans	-72.3	-18.8	-171.7	-51.3	0	0	0	0	113	N596 E631 K661	S594-N596 VanDerWaalsContact C-N 3.26Å; S594-N596 PolarHBondContact O-N 2.77Å; S594-N596 VanDerWaalsContact O-N 3.08Å; S594-E631 PolarHBondContact N-OE1 2.93Å; S594-E631 PolarHBondContact N-OE2 2.84Å; S594-E631 PolarHBondContact OG-OE1 3.35Å; S594-K661 PolarHBondContact OG-NZ 2.89Å
595	T	45.4	Very low	48.5	Very low	118 Å²	118	86 Å²	86	72%	0.724	47%	0.472	S	S	*	.			trans	-84	33.2	-169.5	49	0	0	0	0	114.7	G593 T597	G593-T595 PolarHBondContact O-N 3.38Å; T595-T597 PolarHBondContact O-N 3.42Å
596	N	44	Very low	46.9	Very low	28 Å²	28	90 Å²	90	15%	0.15	50%	0.499	C	S	.	.			trans	-79.3	45.5	-175.1	-132.6	-49	0	0	0	113.2	M577 R578 S594 K650	M577-N596 HydrophobicContact CE-CB 4.26Å; R578-N596 PolarHBondContact N-OD1 3.11Å; R578-N596 PolarHBondContact O-ND2 3Å; R578-N596 PolarHBondContact O-OD1 3.44Å; S594-N596 VanDerWaalsContact C-N 3.26Å; S594-N596 PolarHBondContact O-N 2.77Å; S594-N596 VanDerWaalsContact O-N 3.08Å; N596-K650 PolarHBondContact O-NZ 3.03Å
597	T	35.9	Very low	45.4	Very low	104 Å²	104	94.7 Å²	94.7	64%	0.638	51%	0.512	S	S	*	.			trans	-131.8	94.4	-178.7	49.3	0	0	0	0	110.2	T595 P599	T595-T597 PolarHBondContact O-N 3.42Å; T597-P599 WeakPolarHBondContact O-CD 3.47Å
598	L	32.6	Very low	43.4	Very low	138 Å²	138	98.3 Å²	98.3	72%	0.723	54%	0.541	S	S	*	.			trans	-59.3	129.2	165.3	-70.3	171.8	0	0	0	109.5
599	P	28.6	Very low	41.4	Very low	114 Å²	114	107 Å²	107	74%	0.74	57%	0.57	S	S	*	*			trans	-54.7	141.3	161.3	-22.3	34.1	0	0	0	109.5	T597 D601	T597-P599 WeakPolarHBondContact O-CD 3.47Å; P599-D601 PolarHBondContact O-N 3.31Å
600	R	28.6	Very low	39.3	Very low	234 Å²	234	113.1 Å²	113.1	88%	0.883	61%	0.61	S	S	*	*			trans	-91.5	103.7	175.3	-177.1	175.7	-176.9	164	2.1	108.8	R602	R600-R602 PolarHBondContact O-N 3.35Å
601	D	27.9	Very low	37.4	Very low	131 Å²	131	116.9 Å²	116.9	70%	0.701	63%	0.632	S	S	*	*			trans	-48.6	132.3	177.6	-72.1	-52.5	0	0	0	112.6	P599 F603	P599-D601 PolarHBondContact O-N 3.31Å; D601-F603 HydrophobicContact CB-CE2 4.45Å
602	R	29.6	Very low	35.4	Very low	231 Å²	231	122.7 Å²	122.7	87%	0.872	67%	0.667	S	S	*	*			trans	-129.2	99.6	159	-68	-163.5	-167.5	-159.4	9.4	107.9	R600 A604	R600-R602 PolarHBondContact O-N 3.35Å; R602-A604 PolarHBondContact O-N 2.95Å
603	F	27.5	Very low	33.3	Very low	197 Å²	197	128.4 Å²	128.4	86%	0.864	71%	0.707	S	S	*	*			trans	-68.2	113.8	165.2	-76.2	-92.4	0	0	0	109.5	D601	D601-F603 HydrophobicContact CB-CE2 4.45Å
604	A	27.7	Very low	31.9	Very low	92 Å²	92	133.5 Å²	133.5	76%	0.76	74%	0.741	S	S	*	*			trans	-160.3	132.1	164	0	0	0	0	0	112.2	R602	R602-A604 PolarHBondContact O-N 2.95Å
605	A	27.2	Very low	30.9	Very low	90 Å²	90	133.3 Å²	133.3	74%	0.744	75%	0.751	S	S	*	*			trans	53.7	81.9	152.6	0	0	0	0	0	120.5
606	S	27	Very low	30.1	Very low	95 Å²	95	137.1 Å²	137.1	66%	0.664	76%	0.761	S	S	*	*				39.5	132.1	113.3	65.3	0	0	0	0	123
607	H	29.9	Very low	29.5	Very low	183 Å²	183	145.7 Å²	145.7	85%	0.847	80%	0.797	S	S	*	*			trans	69.1	104.9	149.8	-56.5	-51.2	0	0	0	120.8
608	S	28.5	Very low	29.2	Very low	122 Å²	122	148.5 Å²	148.5	85%	0.853	81%	0.807	S	S	*	*				-171.5	154.5	106.1	43.8	0	0	0	0	112.9
609	R	32.7	Very low	28.9	Very low	212 Å²	212	146.5 Å²	146.5	80%	0.8	81%	0.805	S	S	*	*			trans	-119.8	151.4	159.6	-82.9	-176	171.7	178.7	-3.3	106.9
610	P	33.2	Very low	29.1	Very low	128 Å²	128	150.3 Å²	150.3	83%	0.831	81%	0.81	S	S	*	*				-118.6	-174	106.9	-9	28.8	0	0	0	113.9
611	L	28.6	Very low	29.2	Very low	125 Å²	125	147.5 Å²	147.5	65%	0.654	81%	0.806	S	S	*	*			trans	-116.3	179.7	-176.9	-73.9	79.2	0	0	0	112.1
612	T	28.6	Very low	29.2	Very low	139 Å²	139	144.7 Å²	144.7	85%	0.853	81%	0.809	S	S	*	*			trans	66.4	113.9	155.6	51.5	0	0	0	0	119.7
613	S	26.1	Very low	29	Very low	122 Å²	122	139.3 Å²	139.3	85%	0.853	81%	0.806	S	S	*	*				-155.4	148.3	102.4	-166.1	0	0	0	0	111
614	S	30.3	Very low	29.1	Very low	122 Å²	122	138 Å²	138	85%	0.853	81%	0.807	S	S	*	*			trans	-89.2	150.8	173	-62.3	0	0	0	0	110.8
615	G	28	Very low	29.1	Very low	75 Å²	75	142.8 Å²	142.8	77%	0.773	81%	0.811	S	S	*	*			trans	-171.1	72	-178.5	0	0	0	0	0	113.4	K617	G615-K617 PolarHBondContact O-N 2.86Å
616	E	30	Very low	29.1	Very low	197 Å²	197	143.7 Å²	143.7	92%	0.921	81%	0.812	S	S	*	*			trans	-67.2	117.6	175.9	-61.9	178.6	110.8	0	0	111.4
617	K	29.9	Very low	29.4	Very low	208 Å²	208	145.3 Å²	145.3	90%	0.904	81%	0.809	S	S	*	*			trans	-137.3	125.3	151	-75.9	-161.4	175.2	179.9	0	111.3	G615	G615-K617 PolarHBondContact O-N 2.86Å
618	L	31.1	Very low	29.8	Very low	164 Å²	164	144.9 Å²	144.9	86%	0.859	81%	0.807	S	S	*	*			trans	-75.3	127	-177.8	-167.8	76.3	0	0	0	110.6
619	S	26.7	Very low	30.4	Very low	96 Å²	96	146.1 Å²	146.1	67%	0.671	80%	0.799	S	S	*	*			trans	-136.8	123	162.9	-172.9	0	0	0	0	110.4	H621	S619-H621 PolarHBondContact O-N 3.49Å
620	K	32.5	Very low	31.3	Very low	194 Å²	194	141 Å²	141	84%	0.843	79%	0.787	S	S	*	*			trans	-87.5	96.1	179.5	-75.2	-179.6	176	176.4	0	110.1
621	H	30.8	Very low	32.3	Very low	174 Å²	174	137.1 Å²	137.1	81%	0.806	76%	0.758	S	S	*	*			trans	-102.9	116	152.9	-79.8	-90.5	0	0	0	109	S619 S623	S619-H621 PolarHBondContact O-N 3.49Å; H621-S623 PolarHBondContact O-N 2.9Å
622	G	26.3	Very low	33.6	Very low	73 Å²	73	133.7 Å²	133.7	75%	0.753	74%	0.74	S	S	*	*			trans	-70.8	112.7	177.4	0	0	0	0	0	110.1	L624	G622-L624 PolarHBondContact O-N 3.45Å
623	S	27.1	Very low	34.8	Very low	117 Å²	117	130.2 Å²	130.2	82%	0.818	72%	0.72	S	S	*	*			trans	-63.4	96.9	173.2	-176.9	0	0	0	0	109.8	H621 K625	H621-S623 PolarHBondContact O-N 2.9Å; S623-K625 PolarHBondContact O-N 3.48Å; S623-K625 VanDerWaalsContact O-N 3.16Å
624	L	29.7	Very low	36.2	Very low	170 Å²	170	128.5 Å²	128.5	89%	0.89	71%	0.706	S	S	*	*			trans	-67.4	113.3	171.4	-98.1	163.8	0	0	0	108.3	G622	G622-L624 PolarHBondContact O-N 3.45Å
625	K	27.1	Very low	37.4	Very low	192 Å²	192	129 Å²	129	84%	0.835	70%	0.695	S	S	*	*			trans	-38.3	135.9	-169.8	-62.3	178.5	177.3	-176.4	0	113.3	S623	S623-K625 PolarHBondContact O-N 3.48Å; S623-K625 VanDerWaalsContact O-N 3.16Å
626	S	28.1	Very low	38.7	Very low	110 Å²	110	130.9 Å²	130.9	77%	0.769	69%	0.686	S	S	*	*			trans	-47.8	143.2	167.6	40.4	0	0	0	0	111.1
627	H	31.6	Very low	40.2	Very low	129 Å²	129	122.9 Å²	122.9	60%	0.597	65%	0.651	S	S	*	*			trans	-60.9	140.3	174	-157.6	-81.6	0	0	0	109	E629	H627-E629 PolarHBondContact O-N 3.44Å
628	E	38.2	Very low	41.6	Very low	174 Å²	174	119.7 Å²	119.7	81%	0.813	64%	0.64	S	S	*	*			trans	-58.7	108.2	-173.8	-157.2	169.9	131.4	0	0	110.1	L630	E628-L630 PolarHBondContact O-N 2.84Å
629	E	42.4	Very low	43	Very low	147 Å²	147	119.1 Å²	119.1	69%	0.687	64%	0.637	S	S	*	*			trans	-88.7	111.8	-165.8	-176	160.6	-152.6	0	0	110.4	H627 E631	H627-E629 PolarHBondContact O-N 3.44Å; E629-E631 HydrophobicContact CG-CB 4.15Å; E629-E631 HydrophobicContact CG-CG 3.96Å; E629-E631 PolarHBondContact O-N 3.36Å; E629-E631 VanDerWaalsContact O-N 3.14Å
630	L	50.5	Low	45.2	Very low	104 Å²	104	115.7 Å²	115.7	55%	0.545	61%	0.61	S	S	.	*			trans	-82.2	24.6	-177.6	-60.1	174.5	0	0	0	113.2	E628 L664	E628-L630 PolarHBondContact O-N 2.84Å; L630-L664 HydrophobicContact CD1-CD2 3.8Å; L630-L664 HydrophobicContact CD1-CG 4.3Å
631	E	54.8	Low	47.1	Very low	48 Å²	48	108.4 Å²	108.4	22%	0.224	59%	0.586	C	S	.	*	S	Bend	trans	-80.4	145.8	167.5	-58.9	-152	162.2	0	0	109.4	G593 S594 E629 K661	G593-E631 WeakPolarHBondContact CA-OE2 3.3Å; S594-E631 PolarHBondContact N-OE1 2.93Å; S594-E631 PolarHBondContact N-OE2 2.84Å; S594-E631 PolarHBondContact OG-OE1 3.35Å; E629-E631 HydrophobicContact CG-CB 4.15Å; E629-E631 HydrophobicContact CG-CG 3.96Å; E629-E631 PolarHBondContact O-N 3.36Å; E629-E631 VanDerWaalsContact O-N 3.14Å; E631-K661 IonicContact OE1-NZ 3.84Å; E631-K661 PolarHBondContact OE1-NZ 3.23Å
632	L	55	Low	49.3	Very low	52 Å²	52	103.9 Å²	103.9	27%	0.272	57%	0.57	S	S	.	*	P	Polyproline II helix	trans	-67.6	136.9	178.1	-74.1	163.1	0	0	0	110.1	L587 L636 T637 W640	L587-L632 HydrophobicContact CD1-CD1 4.23Å; L632-L636 HydrophobicContact CD2-CD1 4.24Å; L632-T637 HydrophobicContact CB-CG2 4.1Å; L632-W640 HydrophobicContact CD1-CZ2 3.9Å
633	P	54.5	Low	52	Low	67 Å²	67	102.8 Å²	102.8	44%	0.435	55%	0.546	S	S	.	.	P	Polyproline II helix	trans	-49.6	141.1	172.7	-28.3	34.4	0	0	0	111.7	E635 L636	P633-E635 VanDerWaalsContact CB-OE2 3.23Å; P633-E635 WeakPolarHBondContact CB-OE2 3.31Å; P633-E635 PolarHBondContact O-N 2.91Å; P633-E635 VanDerWaalsContact O-N 3.09Å; P633-L636 PolarHBondContact O-N 3.48Å
634	P	55.9	Low	55	Low	86 Å²	86	100 Å²	100	56%	0.558	52%	0.52	S	S	*	.	G	3₁₀ helix	trans	-55.7	-34	-172	21.6	-32.8	0	0	0	112.7	L636 T637 E638	P634-L636 PolarHBondContact O-N 3.25Å; P634-T637 WeakPolarHBondContact O-CA 3.18Å; P634-T637 PolarHBondContact O-N 2.92Å; P634-T637 PolarHBondContact O-OG1 3.13Å; P634-E638 WeakPolarHBondContact O-CG 3.48Å; P634-E638 PolarHBondContact O-N 2.76Å
635	E	55.8	Low	58	Low	133 Å²	133	92 Å²	92	62%	0.621	48%	0.478	S	S	*	.	G	3₁₀ helix	trans	-59	-25.8	176.7	-53.2	89.3	161.2	0	0	113.1	P633 T637	P633-E635 VanDerWaalsContact CB-OE2 3.23Å; P633-E635 WeakPolarHBondContact CB-OE2 3.31Å; P633-E635 PolarHBondContact O-N 2.91Å; P633-E635 VanDerWaalsContact O-N 3.09Å; E635-T637 VanDerWaalsContact C-N 3.33Å
636	L	54.5	Low	61.2	Low	113 Å²	113	82.9 Å²	82.9	59%	0.592	44%	0.439	S	S	*	.	G	3₁₀ helix	trans	-89.8	5.1	174.9	-58.2	-176	0	0	0	113.3	L632 P633 P634 W640	L632-L636 HydrophobicContact CD2-CD1 4.24Å; P633-L636 PolarHBondContact O-N 3.48Å; P634-L636 PolarHBondContact O-N 3.25Å; L636-W640 PolarHBondContact O-NE1 3.24Å; L636-W640 VanDerWaalsContact O-NE1 3.15Å
637	T	62.4	Low	64.3	Low	29 Å²	29	80.1 Å²	80.1	18%	0.178	42%	0.417	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.1	-4.3	-177.1	76.6	0	0	0	0	114.2	L632 P634 E635 W640	L632-T637 HydrophobicContact CB-CG2 4.1Å; P634-T637 WeakPolarHBondContact O-CA 3.18Å; P634-T637 PolarHBondContact O-N 2.92Å; P634-T637 PolarHBondContact O-OG1 3.13Å; E635-T637 VanDerWaalsContact C-N 3.33Å; T637-W640 HydrophobicContact CG2-CH2 3.86Å; T637-W640 HydrophobicContact CG2-CZ2 3.63Å; T637-W640 HydrophobicContact CG2-CZ3 4.43Å; T637-W640 WeakPolarHBondContact O-CB 3.33Å; T637-W640 PolarHBondContact O-N 2.88Å
638	E	58	Low	67.3	Low	142 Å²	142	76.8 Å²	76.8	66%	0.664	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-38.9	-178.2	-56.4	-159.8	135.9	0	0	112	P634 W640	P634-E638 WeakPolarHBondContact O-CG 3.48Å; P634-E638 PolarHBondContact O-N 2.76Å; E638-W640 PolarHBondContact O-N 3.5Å
639	D	60.5	Low	69.9	Low	152 Å²	152	68.5 Å²	68.5	81%	0.813	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	0.6	177.7	-72.8	-30.6	0	0	0	114.8	A641	D639-A641 PolarHBondContact O-N 3.24Å
640	W	73.8	Confident	72.1	Confident	24 Å²	24	63.7 Å²	63.7	9%	0.091	34%	0.342	C	S	.	.			trans	-72.2	116.1	-174.7	-72.6	12.2	0	0	0	112.8	R578 P580 I592 L632 L636 T637 E638 T642	R578-W640 HydrophobicContact CB-CB 4Å; R578-W640 HydrophobicContact CB-CE3 4.25Å; P580-W640 HydrophobicContact CG-CD2 4.27Å; P580-W640 HydrophobicContact CG-CZ2 4.14Å; I592-W640 HydrophobicContact CB-CH2 4.48Å; I592-W640 HydrophobicContact CG1-CH2 4.34Å; I592-W640 HydrophobicContact CG2-CH2 4.39Å; I592-W640 HydrophobicContact CG2-CZ3 4.01Å; L632-W640 HydrophobicContact CD1-CZ2 3.9Å; L636-W640 PolarHBondContact O-NE1 3.24Å; L636-W640 VanDerWaalsContact O-NE1 3.15Å; T637-W640 HydrophobicContact CG2-CH2 3.86Å; T637-W640 HydrophobicContact CG2-CZ2 3.63Å; T637-W640 HydrophobicContact CG2-CZ3 4.43Å; T637-W640 WeakPolarHBondContact O-CB 3.33Å; T637-W640 PolarHBondContact O-N 2.88Å; E638-W640 PolarHBondContact O-N 3.5Å; W640-T642 PolarHBondContact O-N 2.62Å
641	A	71.1	Confident	74	Confident	41 Å²	41	65.3 Å²	65.3	34%	0.339	35%	0.345	S	S	.	.			trans	-53.9	130.3	178.2	0	0	0	0	0	112.8	L579 D639 M643	L579-A641 PolarHBondContact N-O 3.06Å; D639-A641 PolarHBondContact O-N 3.24Å; A641-M643 PolarHBondContact O-N 3.45Å
642	T	78.7	Confident	75.6	Confident	79 Å²	79	64.8 Å²	64.8	49%	0.485	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	103.9	171.8	60	0	0	0	0	110.2	M577 R578 W640	M577-T642 CarbonylContact O-C 3.3Å; M577-T642 WeakPolarHBondContact O-CA 3.32Å; R578-T642 HydrophobicContact CG-CG2 4Å; W640-T642 PolarHBondContact O-N 2.62Å
643	M	83.2	Confident	77.1	Confident	49 Å²	49	62.4 Å²	62.4	24%	0.241	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	151.6	179.7	-56.7	-169.3	91.7	0	0	111.9	Q563 K576 M577 L579 A641 V645	Q563-M643 HydrophobicContact CB-CE 3.86Å; Q563-M643 HydrophobicContact CG-CB 4.4Å; Q563-M643 HydrophobicContact CG-CE 4.02Å; K576-M643 WeakPolarHBondContact CA-O 3.09Å; M577-M643 PolarHBondContact N-O 3.08Å; M577-M643 VanDerWaalsContact N-O 3.08Å; M577-M643 PolarHBondContact O-N 3.02Å; L579-M643 HydrophobicContact CB-CG 4.35Å; L579-M643 HydrophobicContact CB-SD 3.9Å; L579-M643 HydrophobicContact CD1-SD 3.99Å; A641-M643 PolarHBondContact O-N 3.45Å; M643-V645 HydrophobicContact CB-CG2 4.28Å
644	E	89.4	Confident	78.6	Confident	59 Å²	59	61.7 Å²	61.7	28%	0.276	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	115.9	169	-67.3	-157	147.3	0	0	110.7	Y560 Q563	Y560-E644 WeakPolarHBondContact CD1-OE1 3.23Å; Y560-E644 WeakPolarHBondContact CD1-OE2 3.35Å; Q563-E644 WeakPolarHBondContact CG-O 3.2Å; Q563-E644 PolarHBondContact N-O 3.07Å
645	V	92.1	Very high	79.9	Confident	1 Å²	1	61.6 Å²	61.6	1%	0.006	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	134.1	-176.7	-175.5	0	0	0	0	108.4	F564 K575 M577 L579 M643 C649 K650 I653	F564-V645 HydrophobicContact CB-CG1 4.38Å; K575-V645 PolarHBondContact N-O 2.61Å; K575-V645 PolarHBondContact O-N 3.22Å; M577-V645 HydrophobicContact CB-CG2 4.22Å; L579-V645 HydrophobicContact CD1-CG2 4.27Å; M643-V645 HydrophobicContact CB-CG2 4.28Å; V645-C649 HydrophobicContact CG1-CB 3.66Å; V645-K650 HydrophobicContact CG1-CB 4.32Å; V645-I653 HydrophobicContact CG1-CD1 3.93Å
646	C	94.4	Very high	81.2	Confident	1 Å²	1	56.8 Å²	56.8	1%	0.007	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	156.3	177	73.6	0	0	0	0	112.1	C547 C562 V569 C573 D648 C649 K650	C547-C646 VanDerWaalsContact SG-CB 3.51Å; C562-C646 HydrophobicContact CB-CB 3.93Å; C562-C646 PolarHBondContact SG-N 3.16Å; C562-C646 VanDerWaalsContact SG-SG 3.65Å; V569-C646 HydrophobicContact CB-CB 4.34Å; V569-C646 HydrophobicContact CG1-CB 3.77Å; V569-C646 HydrophobicContact CG2-CB 4.01Å; C573-C646 CarbonylContact O-C 3.58Å; C573-C646 VanDerWaalsContact O-CA 3.24Å; C573-C646 WeakPolarHBondContact O-CA 3.35Å; C646-D648 VanDerWaalsContact C-N 3.28Å; C646-D648 PolarHBondContact O-N 3.48Å; C646-C649 CarbonylContact O-C 3.58Å; C646-C649 PolarHBondContact O-N 2.89Å; C646-C649 PolarHBondContact SG-SG 2.96Å; C646-K650 PolarHBondContact O-N 2.9Å
647	V	94.2	Very high	82.5	Confident	53 Å²	53	51.9 Å²	51.9	32%	0.321	27%	0.273	S	S	.	.	H	α-helix	trans	-49.7	-44.7	-179.1	-74	0	0	0	0	113.5	C547 C573 K575 C649 K650 K651	C547-V647 HydrophobicContact CB-CG2 4.32Å; C573-V647 HydrophobicContact CB-CG2 4.34Å; C573-V647 PolarHBondContact O-N 3.44Å; K575-V647 HydrophobicContact CD-CG1 4.34Å; K575-V647 HydrophobicContact CG-CG1 3.76Å; V647-C649 VanDerWaalsContact C-N 3.35Å; V647-C649 PolarHBondContact O-N 3.29Å; V647-K650 PolarHBondContact O-N 2.83Å; V647-K651 PolarHBondContact O-N 2.83Å
648	D	93.4	Very high	83.3	Confident	58 Å²	58	53.3 Å²	53.3	31%	0.31	29%	0.288	S	S	.	.	H	α-helix	trans	-64	-39.9	179.4	-44.8	-23.5	0	0	0	111.8	C547 C646 F652	C547-D648 WeakPolarHBondContact CB-OD2 3.49Å; C547-D648 PolarHBondContact SG-OD2 3.2Å; C646-D648 VanDerWaalsContact C-N 3.28Å; C646-D648 PolarHBondContact O-N 3.48Å; D648-F652 WeakPolarHBondContact O-CB 3.17Å; D648-F652 PolarHBondContact O-N 3.35Å
649	C	92.4	Very high	84.4	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-75.6	-34.4	178	-65.9	0	0	0	0	111.7	F564 C565 V645 C646 V647 K651 F652 I653	F564-C649 HydrophobicContact CB-CB 4.04Å; C565-C649 VanDerWaalsContact SG-SG 3.63Å; V645-C649 HydrophobicContact CG1-CB 3.66Å; C646-C649 CarbonylContact O-C 3.58Å; C646-C649 PolarHBondContact O-N 2.89Å; C646-C649 PolarHBondContact SG-SG 2.96Å; V647-C649 VanDerWaalsContact C-N 3.35Å; V647-C649 PolarHBondContact O-N 3.29Å; C649-K651 VanDerWaalsContact C-N 3.34Å; C649-K651 PolarHBondContact O-N 2.9Å; C649-F652 PolarHBondContact O-N 2.56Å; C649-I653 WeakPolarHBondContact O-CB 3.5Å; C649-I653 VanDerWaalsContact O-CD1 3.28Å; C649-I653 WeakPolarHBondContact O-CD1 3.29Å; C649-I653 WeakPolarHBondContact O-CG1 3.21Å; C649-I653 PolarHBondContact O-N 2.87Å
650	K	90.1	Very high	85.2	Confident	46 Å²	46	43 Å²	43	20%	0.2	24%	0.244	C	C	.	.	H	α-helix	trans	-60.5	-45.4	172.7	179.2	165	-174.3	166.4	0	110.5	M577 N596 V645 C646 V647 I653 S654	M577-K650 HydrophobicContact SD-CD 4.36Å; M577-K650 HydrophobicContact SD-CG 4.04Å; N596-K650 PolarHBondContact O-NZ 3.03Å; V645-K650 HydrophobicContact CG1-CB 4.32Å; C646-K650 PolarHBondContact O-N 2.9Å; V647-K650 PolarHBondContact O-N 2.83Å; K650-I653 PolarHBondContact O-N 3.02Å; K650-S654 PolarHBondContact O-N 3.42Å; K650-S654 PolarHBondContact O-OG 3Å
651	K	89.4	Confident	85.3	Confident	139 Å²	139	44.1 Å²	44.1	60%	0.604	25%	0.249	S	C	*	.	H	α-helix	trans	-60.1	-53.7	174.4	178.4	169.7	177.3	178.7	0	111.2	V647 C649 I653 S654 D655	V647-K651 PolarHBondContact O-N 2.83Å; C649-K651 VanDerWaalsContact C-N 3.34Å; C649-K651 PolarHBondContact O-N 2.9Å; K651-I653 VanDerWaalsContact C-N 3.26Å; K651-I653 PolarHBondContact O-N 2.8Å; K651-S654 WeakPolarHBondContact O-CB 3.44Å; K651-S654 PolarHBondContact O-N 3Å; K651-D655 WeakPolarHBondContact CE-OD2 3.49Å; K651-D655 VanDerWaalsContact CG-OD2 3.32Å; K651-D655 WeakPolarHBondContact CG-OD2 3.48Å; K651-D655 PolarHBondContact O-N 3.15Å
652	F	89.1	Confident	85.5	Confident	37 Å²	37	45.3 Å²	45.3	16%	0.162	25%	0.248	C	C	.	.	H	α-helix	trans	-53.1	-40.1	178.6	175.4	-94.6	0	0	0	113.6	V514 I517 R518 L521 F564 D648 C649 I656	V514-F652 HydrophobicContact CG1-CD1 4.42Å; V514-F652 HydrophobicContact CG1-CE1 3.7Å; I517-F652 HydrophobicContact CG2-CZ 4.2Å; R518-F652 HydrophobicContact CB-CD1 4.14Å; R518-F652 HydrophobicContact CB-CE1 3.64Å; R518-F652 HydrophobicContact CB-CZ 4.13Å; R518-F652 HydrophobicContact CG-CD1 4.11Å; R518-F652 HydrophobicContact CG-CE1 4.08Å; L521-F652 HydrophobicContact CD1-CE2 3.73Å; L521-F652 HydrophobicContact CD1-CZ 3.99Å; F564-F652 HydrophobicContact CE1-CD1 4.32Å; F564-F652 HydrophobicContact CE1-CE1 4.28Å; D648-F652 WeakPolarHBondContact O-CB 3.17Å; D648-F652 PolarHBondContact O-N 3.35Å; C649-F652 PolarHBondContact O-N 2.56Å; F652-I656 HydrophobicContact CD1-CD1 3.99Å; F652-I656 HydrophobicContact CD2-CD1 4.3Å; F652-I656 HydrophobicContact CE1-CD1 3.47Å; F652-I656 VanDerWaalsContact CE1-CD1 3.47Å; F652-I656 HydrophobicContact CE2-CD1 3.82Å; F652-I656 HydrophobicContact CG-CD1 4.39Å; F652-I656 HydrophobicContact CZ-CD1 3.38Å; F652-I656 WeakPolarHBondContact O-CG1 3.45Å; F652-I656 PolarHBondContact O-N 2.69Å; F652-I656 VanDerWaalsContact O-N 3.11Å
653	I	86.9	Confident	85.3	Confident	1 Å²	1	43.4 Å²	43.4	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-66.4	-47.8	175.3	-66.3	159.1	0	0	0	110.6	F564 M577 I589 V645 C649 K650 K651 D655 I656 I657	F564-I653 HydrophobicContact CD1-CD1 4.08Å; F564-I653 HydrophobicContact CD1-CG1 4.15Å; F564-I653 HydrophobicContact CD2-CD1 3.47Å; F564-I653 VanDerWaalsContact CD2-CD1 3.47Å; F564-I653 HydrophobicContact CD2-CG1 4.17Å; F564-I653 HydrophobicContact CE1-CD1 4.09Å; F564-I653 HydrophobicContact CE1-CG1 3.75Å; F564-I653 HydrophobicContact CE2-CD1 3.49Å; F564-I653 VanDerWaalsContact CE2-CD1 3.49Å; F564-I653 HydrophobicContact CE2-CG1 3.77Å; F564-I653 HydrophobicContact CG-CD1 3.78Å; F564-I653 HydrophobicContact CG-CG1 4.35Å; F564-I653 HydrophobicContact CZ-CD1 3.82Å; F564-I653 HydrophobicContact CZ-CG1 3.55Å; M577-I653 HydrophobicContact CE-CB 4.44Å; M577-I653 HydrophobicContact CE-CG2 3.66Å; M577-I653 HydrophobicContact SD-CD1 4.32Å; M577-I653 HydrophobicContact SD-CG2 4.45Å; I589-I653 HydrophobicContact CD1-CG2 4.48Å; V645-I653 HydrophobicContact CG1-CD1 3.93Å; C649-I653 WeakPolarHBondContact O-CB 3.5Å; C649-I653 VanDerWaalsContact O-CD1 3.28Å; C649-I653 WeakPolarHBondContact O-CD1 3.29Å; C649-I653 WeakPolarHBondContact O-CG1 3.21Å; C649-I653 PolarHBondContact O-N 2.87Å; K650-I653 PolarHBondContact O-N 3.02Å; K651-I653 VanDerWaalsContact C-N 3.26Å; K651-I653 PolarHBondContact O-N 2.8Å; I653-D655 PolarHBondContact O-N 2.67Å; I653-I656 PolarHBondContact O-N 2.91Å; I653-I657 HydrophobicContact CG2-CD1 3.68Å; I653-I657 HydrophobicContact CG2-CG1 4.28Å; I653-I657 VanDerWaalsContact O-CG1 3.26Å; I653-I657 WeakPolarHBondContact O-CG1 3.42Å; I653-I657 PolarHBondContact O-N 3.44Å
654	S	84.6	Confident	84.6	Confident	53 Å²	53	41.9 Å²	41.9	37%	0.371	23%	0.23	S	C	.	.	H	α-helix	trans	-60.1	-43	177.1	-71.3	0	0	0	0	112.7	K650 K651 I656 I657 A658	K650-S654 PolarHBondContact O-N 3.42Å; K650-S654 PolarHBondContact O-OG 3Å; K651-S654 WeakPolarHBondContact O-CB 3.44Å; K651-S654 PolarHBondContact O-N 3Å; S654-I656 VanDerWaalsContact C-N 3.33Å; S654-I656 PolarHBondContact O-N 3.02Å; S654-I657 PolarHBondContact O-N 2.85Å; S654-A658 WeakPolarHBondContact O-CB 3.48Å; S654-A658 PolarHBondContact O-N 3.4Å
655	D	83.1	Confident	83.7	Confident	84 Å²	84	41.3 Å²	41.3	45%	0.449	23%	0.232	S	C	.	.	H	α-helix	trans	-61.6	-40.9	177.9	-61.7	-14.3	0	0	0	110.8	K651 I653 S659	K651-D655 WeakPolarHBondContact CE-OD2 3.49Å; K651-D655 VanDerWaalsContact CG-OD2 3.32Å; K651-D655 WeakPolarHBondContact CG-OD2 3.48Å; K651-D655 PolarHBondContact O-N 3.15Å; I653-D655 PolarHBondContact O-N 2.67Å; D655-S659 WeakPolarHBondContact O-CB 3.44Å; D655-S659 PolarHBondContact O-N 2.79Å
656	I	83.9	Confident	82.5	Confident	31 Å²	31	43.7 Å²	43.7	16%	0.159	25%	0.245	C	C	.	.	H	α-helix	trans	-72.5	-40.7	176.1	-69.1	174.5	0	0	0	112.3	V514 I589 F652 I653 S654 A658 S659 S660	V514-I656 HydrophobicContact CG1-CD1 3.62Å; V514-I656 HydrophobicContact CG1-CG2 4.39Å; V514-I656 HydrophobicContact CG2-CG2 4.26Å; I589-I656 HydrophobicContact CD1-CG2 3.95Å; I589-I656 HydrophobicContact CG2-CG2 3.9Å; F652-I656 HydrophobicContact CD1-CD1 3.99Å; F652-I656 HydrophobicContact CD2-CD1 4.3Å; F652-I656 HydrophobicContact CE1-CD1 3.47Å; F652-I656 VanDerWaalsContact CE1-CD1 3.47Å; F652-I656 HydrophobicContact CE2-CD1 3.82Å; F652-I656 HydrophobicContact CG-CD1 4.39Å; F652-I656 HydrophobicContact CZ-CD1 3.38Å; F652-I656 WeakPolarHBondContact O-CG1 3.45Å; F652-I656 PolarHBondContact O-N 2.69Å; F652-I656 VanDerWaalsContact O-N 3.11Å; I653-I656 PolarHBondContact O-N 2.91Å; S654-I656 VanDerWaalsContact C-N 3.33Å; S654-I656 PolarHBondContact O-N 3.02Å; I656-A658 VanDerWaalsContact C-N 3.28Å; I656-A658 PolarHBondContact O-N 2.77Å; I656-S659 PolarHBondContact O-N 3.09Å; I656-S660 WeakPolarHBondContact O-CB 3.34Å; I656-S660 PolarHBondContact O-N 3.24Å; I656-S660 PolarHBondContact O-OG 3.16Å
657	I	82.1	Confident	81	Confident	10 Å²	10	44.8 Å²	44.8	5%	0.051	25%	0.254	C	S	.	.	H	α-helix	trans	-56.2	-46.8	174.4	-69.3	165.6	0	0	0	109.8	I589 I592 I653 S654 K661	I589-I657 HydrophobicContact CD1-CG1 4.37Å; I589-I657 HydrophobicContact CG1-CG1 3.76Å; I592-I657 HydrophobicContact CB-CD1 3.97Å; I592-I657 HydrophobicContact CB-CG1 4.4Å; I592-I657 HydrophobicContact CG2-CD1 3.72Å; I653-I657 HydrophobicContact CG2-CD1 3.68Å; I653-I657 HydrophobicContact CG2-CG1 4.28Å; I653-I657 VanDerWaalsContact O-CG1 3.26Å; I653-I657 WeakPolarHBondContact O-CG1 3.42Å; I653-I657 PolarHBondContact O-N 3.44Å; S654-I657 PolarHBondContact O-N 2.85Å; I657-K661 HydrophobicContact CG2-CD 4Å; I657-K661 WeakPolarHBondContact O-CB 3.26Å; I657-K661 VanDerWaalsContact O-CG 3.31Å; I657-K661 WeakPolarHBondContact O-CG 3.36Å; I657-K661 PolarHBondContact O-N 3.23Å
658	A	79.3	Confident	79.6	Confident	60 Å²	60	45.4 Å²	45.4	50%	0.496	26%	0.258	S	S	.	.	H	α-helix	trans	-62.5	-48.2	177	0	0	0	0	0	111.9	S654 I656 S660 K661 H662	S654-A658 WeakPolarHBondContact O-CB 3.48Å; S654-A658 PolarHBondContact O-N 3.4Å; I656-A658 VanDerWaalsContact C-N 3.28Å; I656-A658 PolarHBondContact O-N 2.77Å; A658-S660 PolarHBondContact O-N 3.3Å; A658-K661 PolarHBondContact O-N 3.13Å; A658-H662 WeakPolarHBondContact O-CB 3.43Å; A658-H662 PolarHBondContact O-N 3.49Å
659	S	80.1	Confident	78	Confident	68 Å²	68	46.4 Å²	46.4	48%	0.476	26%	0.26	S	S	.	.	H	α-helix	trans	-61.4	-42.5	179.1	-172.8	0	0	0	0	113	D655 I656 H662 S663	D655-S659 WeakPolarHBondContact O-CB 3.44Å; D655-S659 PolarHBondContact O-N 2.79Å; I656-S659 PolarHBondContact O-N 3.09Å; S659-H662 PolarHBondContact O-N 2.91Å; S659-S663 WeakPolarHBondContact O-CB 3.47Å; S659-S663 PolarHBondContact O-N 3.16Å; S659-S663 PolarHBondContact O-OG 3.29Å
660	S	77.4	Confident	76.3	Confident	10 Å²	10	54.3 Å²	54.3	7%	0.07	29%	0.29	C	S	.	.	H	α-helix	trans	-69.6	-40.1	176.7	-64.9	0	0	0	0	112.2	I656 A658 S663 L664	I656-S660 WeakPolarHBondContact O-CB 3.34Å; I656-S660 PolarHBondContact O-N 3.24Å; I656-S660 PolarHBondContact O-OG 3.16Å; A658-S660 PolarHBondContact O-N 3.3Å; S660-S663 PolarHBondContact O-N 2.94Å; S660-L664 VanDerWaalsContact O-CB 3.22Å; S660-L664 WeakPolarHBondContact O-CB 3.17Å; S660-L664 PolarHBondContact O-N 3.27Å
661	K	77.4	Confident	74.6	Confident	47 Å²	47	54.2 Å²	54.2	20%	0.204	30%	0.297	C	S	.	.	H	α-helix	trans	-62.4	-43	172.9	-75.9	178.1	-176.8	173.9	0	111.9	Y590 I592 S594 E631 I657 A658 L664 S665	Y590-K661 WeakPolarHBondContact O-CE 3.22Å; I592-K661 WeakPolarHBondContact O-CE 3.49Å; I592-K661 PolarHBondContact O-NZ 3.14Å; S594-K661 PolarHBondContact OG-NZ 2.89Å; E631-K661 IonicContact OE1-NZ 3.84Å; E631-K661 PolarHBondContact OE1-NZ 3.23Å; I657-K661 HydrophobicContact CG2-CD 4Å; I657-K661 WeakPolarHBondContact O-CB 3.26Å; I657-K661 VanDerWaalsContact O-CG 3.31Å; I657-K661 WeakPolarHBondContact O-CG 3.36Å; I657-K661 PolarHBondContact O-N 3.23Å; A658-K661 PolarHBondContact O-N 3.13Å; K661-L664 PolarHBondContact O-N 3.4Å; K661-S665 WeakPolarHBondContact O-CB 3.43Å; K661-S665 PolarHBondContact O-N 2.82Å
662	H	74.9	Confident	72.9	Confident	66 Å²	66	55.5 Å²	55.5	31%	0.306	30%	0.299	S	S	.	.	H	α-helix	trans	-61.5	-49	175.1	-176.9	-145.7	0	0	0	111.5	D227 A658 S659 L664 S665 L666	D227-H662 IonicContact OD2-CE1 3.92Å; D227-H662 PolarHBondContact OD2-CE1 3.08Å; D227-H662 IonicContact OD2-ND1 2.72Å; A658-H662 WeakPolarHBondContact O-CB 3.43Å; A658-H662 PolarHBondContact O-N 3.49Å; S659-H662 PolarHBondContact O-N 2.91Å; H662-L664 VanDerWaalsContact C-N 3.35Å; H662-L664 PolarHBondContact O-N 2.9Å; H662-S665 WeakPolarHBondContact O-CB 3.33Å; H662-S665 PolarHBondContact O-N 3.15Å; H662-L666 WeakPolarHBondContact O-CG 3.3Å; H662-L666 PolarHBondContact O-N 2.7Å
663	S	73.8	Confident	70.9	Confident	39 Å²	39	59 Å²	59	27%	0.273	32%	0.318	S	S	.	.	H	α-helix	trans	-60.1	-42	178.4	-59.3	0	0	0	0	112.7	S659 S660 L666 A667	S659-S663 WeakPolarHBondContact O-CB 3.47Å; S659-S663 PolarHBondContact O-N 3.16Å; S659-S663 PolarHBondContact O-OG 3.29Å; S660-S663 PolarHBondContact O-N 2.94Å; S663-L666 PolarHBondContact O-N 2.9Å; S663-A667 WeakPolarHBondContact O-CB 3.16Å; S663-A667 PolarHBondContact O-N 3.35Å
664	L	69.5	Low	68.9	Low	16 Å²	16	65 Å²	65	8%	0.084	34%	0.344	C	S	.	.	H	α-helix	trans	-63.5	-43	175	175.3	62	0	0	0	112.2	V504 Y590 L630 S660 K661 H662 A667 T668	V504-L664 HydrophobicContact CB-CD1 4.44Å; V504-L664 HydrophobicContact CG1-CD1 3.37Å; V504-L664 HydrophobicContact CG2-CD1 4.19Å; Y590-L664 HydrophobicContact CD1-CD2 4.13Å; Y590-L664 HydrophobicContact CD2-CD2 3.43Å; Y590-L664 VanDerWaalsContact CD2-CD2 3.43Å; Y590-L664 HydrophobicContact CE1-CD2 4.23Å; Y590-L664 HydrophobicContact CE2-CD2 3.6Å; Y590-L664 HydrophobicContact CG-CD2 3.75Å; L630-L664 HydrophobicContact CD1-CD2 3.8Å; L630-L664 HydrophobicContact CD1-CG 4.3Å; S660-L664 VanDerWaalsContact O-CB 3.22Å; S660-L664 WeakPolarHBondContact O-CB 3.17Å; S660-L664 PolarHBondContact O-N 3.27Å; K661-L664 PolarHBondContact O-N 3.4Å; H662-L664 VanDerWaalsContact C-N 3.35Å; H662-L664 PolarHBondContact O-N 2.9Å; L664-A667 PolarHBondContact O-N 3.23Å; L664-T668 WeakPolarHBondContact O-CB 3.47Å; L664-T668 PolarHBondContact O-N 3.4Å; L664-T668 PolarHBondContact O-OG1 3.42Å
665	S	68.9	Low	67.2	Low	47 Å²	47	71.1 Å²	71.1	33%	0.329	36%	0.359	S	S	.	.	H	α-helix	trans	-61.3	-47.5	175.6	-176.2	0	0	0	0	111.5	K661 H662 A667 T668 K669	K661-S665 WeakPolarHBondContact O-CB 3.43Å; K661-S665 PolarHBondContact O-N 2.82Å; H662-S665 WeakPolarHBondContact O-CB 3.33Å; H662-S665 PolarHBondContact O-N 3.15Å; S665-A667 PolarHBondContact O-N 2.86Å; S665-T668 PolarHBondContact O-N 2.7Å; S665-K669 PolarHBondContact O-N 3.5Å
666	L	67.6	Low	65.2	Low	51 Å²	51	74 Å²	74	27%	0.267	37%	0.368	S	S	.	.	H	α-helix	trans	-61.6	-42.2	176.3	-68.7	176.7	0	0	0	112.7	H662 S663 R670	H662-L666 WeakPolarHBondContact O-CG 3.3Å; H662-L666 PolarHBondContact O-N 2.7Å; S663-L666 PolarHBondContact O-N 2.9Å; L666-R670 WeakPolarHBondContact O-CB 3.26Å; L666-R670 VanDerWaalsContact O-CG 3.27Å; L666-R670 WeakPolarHBondContact O-CG 3.44Å; L666-R670 PolarHBondContact O-N 3.37Å
667	A	63.5	Low	63.3	Low	25 Å²	25	76.9 Å²	76.9	21%	0.207	39%	0.387	C	S	.	.	H	α-helix	trans	-62.2	-43.3	175.1	0	0	0	0	0	111.6	V504 L507 S663 L664 S665 R670 A671	V504-A667 HydrophobicContact CG2-CB 4.16Å; L507-A667 HydrophobicContact CD1-CB 4.34Å; S663-A667 WeakPolarHBondContact O-CB 3.16Å; S663-A667 PolarHBondContact O-N 3.35Å; L664-A667 PolarHBondContact O-N 3.23Å; S665-A667 PolarHBondContact O-N 2.86Å; A667-R670 PolarHBondContact O-N 2.67Å; A667-A671 PolarHBondContact O-N 3.48Å
668	T	64.1	Low	61.3	Low	65 Å²	65	82 Å²	82	40%	0.399	41%	0.411	S	S	.	.	H	α-helix	trans	-68.1	-43.1	179.3	-54.2	0	0	0	0	111.8	L664 S665 R670 A671 R672	L664-T668 WeakPolarHBondContact O-CB 3.47Å; L664-T668 PolarHBondContact O-N 3.4Å; L664-T668 PolarHBondContact O-OG1 3.42Å; S665-T668 PolarHBondContact O-N 2.7Å; T668-R670 PolarHBondContact O-N 3.46Å; T668-A671 PolarHBondContact O-N 2.59Å; T668-R672 WeakPolarHBondContact O-CB 3.17Å; T668-R672 PolarHBondContact O-N 3.43Å
669	K	59.3	Low	59.4	Low	80 Å²	80	83.9 Å²	83.9	35%	0.348	42%	0.42	S	S	.	.	H	α-helix	trans	-58.6	-46	172.5	-77.3	-165	178.7	-171.2	0	111.1	E222 S665 A671 R672 L673	E222-K669 IonicContact OE2-NZ 2.68Å; E222-K669 PolarHBondContact OE2-NZ 3.34Å; S665-K669 PolarHBondContact O-N 3.5Å; K669-A671 PolarHBondContact O-N 3.18Å; K669-R672 PolarHBondContact O-N 2.93Å; K669-L673 WeakPolarHBondContact O-CD1 3.41Å; K669-L673 PolarHBondContact O-N 2.87Å
670	R	57.4	Low	57.5	Low	165 Å²	165	89.3 Å²	89.3	62%	0.623	44%	0.436	S	S	*	.	H	α-helix	trans	-60.5	-43	176.6	-74.6	170.3	178.1	164.4	1.3	112.8	L666 A667 T668 R672 L673 K674	L666-R670 WeakPolarHBondContact O-CB 3.26Å; L666-R670 VanDerWaalsContact O-CG 3.27Å; L666-R670 WeakPolarHBondContact O-CG 3.44Å; L666-R670 PolarHBondContact O-N 3.37Å; A667-R670 PolarHBondContact O-N 2.67Å; T668-R670 PolarHBondContact O-N 3.46Å; R670-R672 VanDerWaalsContact C-N 3.33Å; R670-R672 PolarHBondContact O-N 3.34Å; R670-L673 PolarHBondContact O-N 2.69Å; R670-K674 PolarHBondContact O-N 3.45Å; R670-K674 VanDerWaalsContact O-N 3.09Å
671	A	54.7	Low	55.7	Low	44 Å²	44	98.9 Å²	98.9	36%	0.364	47%	0.472	S	S	.	.	H	α-helix	trans	-65.8	-34.7	176	0	0	0	0	0	112.7	A667 T668 K669 R675	A667-A671 PolarHBondContact O-N 3.48Å; T668-A671 PolarHBondContact O-N 2.59Å; K669-A671 PolarHBondContact O-N 3.18Å; A671-R675 PolarHBondContact O-N 3Å
672	R	53.3	Low	53.7	Low	167 Å²	167	104.1 Å²	104.1	63%	0.63	50%	0.499	S	S	*	.	H	α-helix	trans	-72.8	-37.7	176.3	-161.4	174.3	-171.4	171	3.7	112.3	T668 K669 R670 K676	T668-R672 WeakPolarHBondContact O-CB 3.17Å; T668-R672 PolarHBondContact O-N 3.43Å; K669-R672 PolarHBondContact O-N 2.93Å; R670-R672 VanDerWaalsContact C-N 3.33Å; R670-R672 PolarHBondContact O-N 3.34Å; R672-K676 PolarHBondContact O-N 2.92Å; R672-K676 VanDerWaalsContact O-N 3.14Å
673	L	46.8	Very low	51.7	Low	110 Å²	110	106.4 Å²	106.4	58%	0.576	52%	0.522	S	S	*	.	H	α-helix	trans	-63.1	-47.5	172.3	-101.5	84.6	0	0	0	112	K669 R670 R675 K676 T677	K669-L673 WeakPolarHBondContact O-CD1 3.41Å; K669-L673 PolarHBondContact O-N 2.87Å; R670-L673 PolarHBondContact O-N 2.69Å; L673-R675 VanDerWaalsContact C-N 3.3Å; L673-R675 PolarHBondContact O-N 3.06Å; L673-K676 WeakPolarHBondContact O-CA 3.38Å; L673-K676 WeakPolarHBondContact O-CB 3.08Å; L673-K676 PolarHBondContact O-N 3.13Å; L673-T677 PolarHBondContact O-N 3.4Å; L673-T677 PolarHBondContact O-OG1 2.69Å
674	K	45.8	Very low	49.6	Very low	127 Å²	127	110.2 Å²	110.2	55%	0.552	55%	0.549	S	S	*	.	H	α-helix	trans	-57.7	-40.3	178	-79.2	-170.2	173.5	-172.9	0	112.8	R670 T677 Q678	R670-K674 PolarHBondContact O-N 3.45Å; R670-K674 VanDerWaalsContact O-N 3.09Å; K674-T677 PolarHBondContact O-N 3.08Å; K674-T677 PolarHBondContact O-OG1 3.22Å; K674-Q678 PolarHBondContact O-N 2.8Å
675	R	48.1	Very low	48.4	Very low	181 Å²	181	114.8 Å²	114.8	68%	0.683	58%	0.579	S	S	*	*	H	α-helix	trans	-65.1	-37.3	173.7	-93.5	-176.6	-86.2	173.6	-10.4	112.8	A671 L673 S679	A671-R675 PolarHBondContact O-N 3Å; L673-R675 VanDerWaalsContact C-N 3.3Å; L673-R675 PolarHBondContact O-N 3.06Å; R675-S679 WeakPolarHBondContact O-CB 3.2Å; R675-S679 PolarHBondContact O-N 3.38Å
676	K	42.2	Very low	46.9	Very low	144 Å²	144	122.7 Å²	122.7	63%	0.626	61%	0.608	S	S	*	*	H	α-helix	trans	-64.4	-46.5	172	-85.3	-170	171.3	-173.1	0	112.1	R672 L673 S679 F680	R672-K676 PolarHBondContact O-N 2.92Å; R672-K676 VanDerWaalsContact O-N 3.14Å; L673-K676 WeakPolarHBondContact O-CA 3.38Å; L673-K676 WeakPolarHBondContact O-CB 3.08Å; L673-K676 PolarHBondContact O-N 3.13Å; K676-S679 WeakPolarHBondContact O-CB 3.36Å; K676-S679 PolarHBondContact O-N 3.31Å; K676-S679 VanDerWaalsContact O-N 3.14Å; K676-F680 WeakPolarHBondContact O-CD2 3.25Å; K676-F680 PolarHBondContact O-N 3.06Å
677	T	43.6	Very low	45.1	Very low	93 Å²	93	124.3 Å²	124.3	57%	0.571	64%	0.636	S	S	*	*	H	α-helix	trans	-70.8	-34.3	-176.4	53.3	0	0	0	0	113.3	L673 K674 S679 F680	L673-T677 PolarHBondContact O-N 3.4Å; L673-T677 PolarHBondContact O-OG1 2.69Å; K674-T677 PolarHBondContact O-N 3.08Å; K674-T677 PolarHBondContact O-OG1 3.22Å; T677-S679 VanDerWaalsContact C-N 3.3Å; T677-S679 PolarHBondContact O-N 2.84Å; T677-F680 PolarHBondContact O-N 2.94Å
678	Q	39.7	Very low	43.9	Very low	118 Å²	118	127.6 Å²	127.6	55%	0.551	66%	0.664	S	S	*	*	H	α-helix	trans	-61.9	-37.1	168	-79.3	179.6	-51	0	0	112.3	K674 F680 Y681	K674-Q678 PolarHBondContact O-N 2.8Å; Q678-F680 PolarHBondContact O-N 3.43Å; Q678-Y681 PolarHBondContact O-N 3.26Å; Q678-Y681 VanDerWaalsContact O-N 3.09Å
679	S	39.4	Very low	42.6	Very low	98 Å²	98	134.3 Å²	134.3	69%	0.685	69%	0.691	S	S	*	*	H	α-helix	trans	-64.4	-18.7	180	-169.7	0	0	0	0	114.5	R675 K676 T677	R675-S679 WeakPolarHBondContact O-CB 3.2Å; R675-S679 PolarHBondContact O-N 3.38Å; K676-S679 WeakPolarHBondContact O-CB 3.36Å; K676-S679 PolarHBondContact O-N 3.31Å; K676-S679 VanDerWaalsContact O-N 3.14Å; T677-S679 VanDerWaalsContact C-N 3.3Å; T677-S679 PolarHBondContact O-N 2.84Å
680	F	40.4	Very low	41.6	Very low	183 Å²	183	134.1 Å²	134.1	80%	0.803	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.2	-8.2	175.5	-80.5	-76.3	0	0	0	113.8	K676 T677 Q678	K676-F680 WeakPolarHBondContact O-CD2 3.25Å; K676-F680 PolarHBondContact O-N 3.06Å; T677-F680 PolarHBondContact O-N 2.94Å; Q678-F680 PolarHBondContact O-N 3.43Å
681	Y	40	Very low	40.3	Very low	211 Å²	211	136.5 Å²	136.5	83%	0.827	72%	0.722	S	S	*	*	S	Bend	trans	-108.1	31.7	-169.5	-128.5	-82.5	0	0	0	114.8	Q678	Q678-Y681 PolarHBondContact O-N 3.26Å; Q678-Y681 VanDerWaalsContact O-N 3.09Å
682	M	35.9	Very low	39.3	Very low	156 Å²	156	145.5 Å²	145.5	77%	0.768	75%	0.747	S	S	*	*	S	Bend	trans	-132.2	135.1	171.2	-76.3	-108.6	65.2	0	0	111.6
683	S	32	Very low	38.3	Very low	114 Å²	114	142.4 Å²	142.4	80%	0.797	75%	0.748	S	S	*	*			trans	75.5	84.5	164	-55.1	0	0	0	0	119
684	S	29.9	Very low	37.6	Very low	119 Å²	119	142 Å²	142	83%	0.832	76%	0.755	S	S	*	*			trans	-134.8	120.9	142.7	-175.5	0	0	0	0	109.7
685	P	43.2	Very low	37	Very low	112 Å²	112	145.4 Å²	145.4	73%	0.727	77%	0.773	S	S	*	*			trans	-109	105.8	-176.6	35.6	-27.4	0	0	0	113.3
686	K	37.2	Very low	36.3	Very low	214 Å²	214	147.8 Å²	147.8	93%	0.93	78%	0.782	S	S	*	*			trans	171.3	163.2	151.2	-96.7	152.3	-172.5	-179.4	0	110.2
687	G	31.6	Very low	35.9	Very low	84 Å²	84	147.5 Å²	147.5	87%	0.866	79%	0.792	S	S	*	*			trans	97.1	93.3	173.4	0	0	0	0	0	113.4
688	A	37.4	Very low	35.4	Very low	95 Å²	95	150.5 Å²	150.5	79%	0.785	80%	0.803	S	S	*	*			trans	-108.5	130.9	161.4	0	0	0	0	0	107.8
689	E	35.8	Very low	35.2	Very low	205 Å²	205	151.8 Å²	151.8	96%	0.958	81%	0.814	S	S	*	*			trans	167.5	160	140.5	-95.8	172	-168.9	0	0	111
690	G	39.6	Very low	34.9	Very low	77 Å²	77	156.1 Å²	156.1	79%	0.794	82%	0.823	S	S	*	*			trans	97.3	19.9	140.4	0	0	0	0	0	121.9
691	Y	29.1	Very low	34.5	Very low	215 Å²	215	159 Å²	159	84%	0.843	84%	0.844	S	S	*	*			trans	-149.8	136.9	156.1	-147.5	-108.5	0	0	0	115	P693	Y691-P693 HydrophobicContact CD1-CG 4.08Å; Y691-P693 HydrophobicContact CE1-CG 4.08Å
692	R	33.4	Very low	34.2	Very low	233 Å²	233	156.4 Å²	156.4	88%	0.879	85%	0.845	S	S	*	*			trans	-143.8	101.5	176.2	-174.7	179.2	-173.1	172.8	2.2	108.7	S694	R692-S694 PolarHBondContact O-N 3.46Å
693	P	33.7	Very low	34.1	Very low	102 Å²	102	156.4 Å²	156.4	66%	0.662	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-59	136.7	174.8	-22.4	33.5	0	0	0	110.7	Y691	Y691-P693 HydrophobicContact CD1-CG 4.08Å; Y691-P693 HydrophobicContact CE1-CG 4.08Å
694	S	32.3	Very low	34.2	Very low	102 Å²	102	158.8 Å²	158.8	71%	0.713	85%	0.852	S	S	*	*	P	Polyproline II helix	trans	-88.2	133.3	173.7	41.7	0	0	0	0	110.5	R692 R696	R692-S694 PolarHBondContact O-N 3.46Å; S694-R696 PolarHBondContact O-N 3.41Å
695	E	32.6	Very low	34.5	Very low	198 Å²	198	161.1 Å²	161.1	93%	0.925	85%	0.853	S	S	*	*	P	Polyproline II helix	trans	-66.3	129.9	168.4	-64.5	173.5	136.4	0	0	108.8
696	R	33.6	Very low	33.9	Very low	231 Å²	231	164.2 Å²	164.2	87%	0.872	86%	0.861	S	S	*	*			trans	-128.1	130.6	164.7	-78.2	-170.3	171.1	-179.6	-1.8	109	S694	S694-R696 PolarHBondContact O-N 3.41Å
697	T	33	Very low	33.7	Very low	137 Å²	137	160.9 Å²	160.9	84%	0.84	86%	0.857	S	S	*	*			trans	-69.5	140.7	-173.4	-19.6	0	0	0	0	111	N699	T697-N699 PolarHBondContact O-N 2.99Å
698	I	34.3	Very low	33.9	Very low	156 Å²	156	166.4 Å²	166.4	80%	0.8	86%	0.856	S	S	*	*			trans	-77.4	116.3	168.9	-60.3	171.9	0	0	0	108.2
699	N	34.8	Very low	33.6	Very low	146 Å²	146	171.8 Å²	171.8	78%	0.781	86%	0.861	S	S	*	*			trans	-138.2	144.2	156.5	-88.4	-26.1	0	0	0	106.3	T697	T697-N699 PolarHBondContact O-N 2.99Å
700	E	33.2	Very low	33.4	Very low	188 Å²	188	169.1 Å²	169.1	88%	0.879	85%	0.853	S	S	*	*			trans	59.8	85.1	177.6	-57.9	-175.9	158.3	0	0	115.4
701	I	31.2	Very low	32.8	Very low	244 Å²	244	177.5 Å²	177.5	100%	1.251	86%	0.859	S	S	*	*				-160.6	0	102.5	-89.5	155.5	0	0	0	108.6

Retrieved 701 of 701 residues in 886.8 ms (Link to these results)

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