A0A077ZGA0_TRITR Loading...

PNK3P and AAA 33 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZGA0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 497 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	86.1	Confident	78.2	Confident	52 Å²	52	68.9 Å²	68.9	26%	0.256	38%	0.378	S	S	.	.				0	161.7	0	62	-174.4	-125.1	0	0	109.5	V11 L12 E92	M1-V11 HydrophobicContact CB-CG1 3.99Å; M1-V11 HydrophobicContact CE-CB 4.18Å; M1-V11 HydrophobicContact CE-CG1 3.39Å; M1-V11 HydrophobicContact CE-CG2 3.65Å; M1-V11 HydrophobicContact CG-CG1 4.12Å; M1-V11 HydrophobicContact SD-CG1 3.54Å; M1-V11 VanDerWaalsContact SD-CG1 3.54Å; M1-L12 WeakPolarHBondContact CA-O 3.37Å; M1-E92 WeakPolarHBondContact CE-OE2 3.46Å; M1-E92 HydrophobicContact CG-CB 4.1Å; M1-E92 WeakPolarHBondContact CG-O 3.33Å; M1-E92 PolarHBondContact N-O 2.81Å; M1-E92 PolarHBondContact O-N 2.87Å
2	L	89.4	Confident	78.8	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	124.1	178	-61.6	155.8	0	0	0	109.2	V11 L12 I14 I18 L20 I40 L80 F89 R90 F91	L2-V11 CarbonylContact O-C 3.59Å; L2-V11 WeakPolarHBondContact O-CA 3.27Å; L2-L12 HydrophobicContact CB-CB 4.24Å; L2-L12 PolarHBondContact N-O 3.13Å; L2-L12 PolarHBondContact O-N 3.42Å; L2-I14 HydrophobicContact CD1-CD1 4.08Å; L2-I14 HydrophobicContact CD1-CG1 4.16Å; L2-I14 HydrophobicContact CD2-CD1 4.48Å; L2-I14 HydrophobicContact CG-CD1 3.98Å; L2-I14 HydrophobicContact CG-CG1 4.24Å; L2-I18 HydrophobicContact CD1-CD1 4.29Å; L2-I18 HydrophobicContact CD1-CG2 3.95Å; L2-L20 HydrophobicContact CD1-CD1 4.09Å; L2-L20 HydrophobicContact CD1-CD2 4.11Å; L2-L20 HydrophobicContact CD1-CG 4.5Å; L2-I40 HydrophobicContact CD1-CD1 3.68Å; L2-I40 HydrophobicContact CD2-CD1 3.99Å; L2-I40 HydrophobicContact CG-CD1 4.44Å; L2-L80 HydrophobicContact CD2-CD1 3.7Å; L2-F89 HydrophobicContact CB-CB 4.35Å; L2-F89 HydrophobicContact CB-CD1 4.38Å; L2-F89 HydrophobicContact CD2-CB 4.38Å; L2-R90 CarbonylContact C-O 3.55Å; L2-R90 WeakPolarHBondContact CA-O 3.41Å; L2-F91 HydrophobicContact CD2-CB 4.12Å; L2-F91 HydrophobicContact CD2-CD2 4.08Å
3	R	88.8	Confident	79.1	Confident	60 Å²	60	64.9 Å²	64.9	23%	0.226	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	121.8	175	-176.3	-178.9	-62.9	-76.7	-3.9	109.3	L5 N9 F89 R90 E92	R3-L5 PolarHBondContact O-N 3.07Å; R3-N9 VanDerWaalsContact CD-OD1 3.27Å; R3-N9 WeakPolarHBondContact CD-OD1 3.4Å; R3-N9 WeakPolarHBondContact CG-OD1 3.35Å; R3-N9 PolarHBondContact NH1-OD1 3.33Å; R3-N9 VanDerWaalsContact NH1-OD1 3.07Å; R3-F89 CarbonylContact O-C 3.57Å; R3-F89 VanDerWaalsContact O-CA 3.26Å; R3-F89 WeakPolarHBondContact O-CA 3.46Å; R3-R90 PolarHBondContact N-O 3.19Å; R3-R90 PolarHBondContact O-N 3.28Å; R3-E92 WeakPolarHBondContact CD-OE1 3.32Å; R3-E92 IonicContact CZ-OE1 2.63Å; R3-E92 IonicContact CZ-OE2 2.69Å; R3-E92 VanDerWaalsContact NE-CD 3.3Å; R3-E92 IonicContact NE-OE1 3.89Å; R3-E92 PolarHBondContact NE-OE1 3.44Å; R3-E92 IonicContact NE-OE2 3.33Å; R3-E92 PolarHBondContact NE-OE2 3.2Å; R3-E92 IonicContact NH2-OE2 2.72Å; R3-E92 PolarHBondContact NH2-OE2 2.94Å
4	S	88.4	Confident	79.3	Confident	20 Å²	20	61.4 Å²	61.4	14%	0.14	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	127	171.3	-179.7	0	0	0	0	109.6	H6 R10	S4-H6 VanDerWaalsContact C-N 3.25Å; S4-H6 PolarHBondContact OG-N 3.46Å; S4-H6 PolarHBondContact OG-O 3.44Å; S4-R10 PolarHBondContact N-O 3.09Å
5	L	86.4	Confident	78.9	Confident	69 Å²	69	67.9 Å²	67.9	36%	0.361	37%	0.365	S	S	.	.	S	Bend	trans	-87.7	4.7	172.1	-59.7	178.4	0	0	0	112.2	R3 V79 K88 R90	R3-L5 PolarHBondContact O-N 3.07Å; L5-V79 HydrophobicContact CD1-CG1 4Å; L5-V79 HydrophobicContact CD1-CG2 4.17Å; L5-K88 HydrophobicContact CB-CB 4.04Å; L5-K88 WeakPolarHBondContact CB-O 3.27Å; L5-K88 HydrophobicContact CD1-CB 3.89Å; L5-K88 HydrophobicContact CG-CB 4.38Å; L5-K88 PolarHBondContact N-O 3.49Å; L5-R90 HydrophobicContact CD1-CB 4.33Å; L5-R90 HydrophobicContact CD2-CB 4.02Å; L5-R90 HydrophobicContact CG-CB 4.28Å
6	H	73.9	Confident	78.6	Confident	94 Å²	94	70.3 Å²	70.3	44%	0.435	38%	0.378	S	S	.	.	S	Bend	trans	-111.7	129	171.2	-67.2	-75.2	0	0	0	111.7	S4 E8 C87 K88	S4-H6 VanDerWaalsContact C-N 3.25Å; S4-H6 PolarHBondContact OG-N 3.46Å; S4-H6 PolarHBondContact OG-O 3.44Å; H6-E8 VanDerWaalsContact C-N 3.28Å; H6-E8 PolarHBondContact O-N 3.48Å; H6-C87 VanDerWaalsContact CD2-CA 3.49Å; H6-C87 WeakPolarHBondContact CD2-CA 3.49Å; H6-C87 WeakPolarHBondContact NE2-CA 3.35Å; H6-C87 PolarHBondContact NE2-N 3.01Å; H6-K88 PolarHBondContact CD2-N 2.97Å; H6-K88 PolarHBondContact NE2-N 3.34Å
7	G	58.8	Low	79	Confident	88 Å²	88	70.8 Å²	70.8	91%	0.907	38%	0.384	S	S	*	.	S	Bend	trans	67.3	-27.4	147.2	0	0	0	0	0	120.5
8	E	61.6	Low	79.7	Confident	120 Å²	120	67.6 Å²	67.6	56%	0.561	37%	0.367	S	S	*	.	S	Bend	trans	-140.5	8.6	-172.2	-70.3	-178	171.6	0	0	113.7	H6 R10 K27	H6-E8 VanDerWaalsContact C-N 3.28Å; H6-E8 PolarHBondContact O-N 3.48Å; E8-R10 HydrophobicContact CB-CB 4.38Å; E8-R10 PolarHBondContact O-N 2.94Å; E8-K27 VanDerWaalsContact CD-NZ 3.31Å; E8-K27 IonicContact OE1-NZ 3.71Å; E8-K27 PolarHBondContact OE1-NZ 2.91Å; E8-K27 IonicContact OE2-NZ 2.69Å; E8-K27 PolarHBondContact OE2-NZ 3.2Å
9	N	65.5	Low	80.4	Confident	106 Å²	106	66.2 Å²	66.2	57%	0.567	36%	0.36	S	S	*	.			trans	44.1	30.8	-177.1	-146.1	-2.6	0	0	0	113.8	R3 V11	R3-N9 VanDerWaalsContact CD-OD1 3.27Å; R3-N9 WeakPolarHBondContact CD-OD1 3.4Å; R3-N9 WeakPolarHBondContact CG-OD1 3.35Å; R3-N9 PolarHBondContact NH1-OD1 3.33Å; R3-N9 VanDerWaalsContact NH1-OD1 3.07Å; N9-V11 PolarHBondContact O-N 3.02Å
10	R	78.5	Confident	81	Confident	87 Å²	87	62.9 Å²	62.9	33%	0.328	34%	0.342	S	S	.	.			trans	-71.8	130.8	-166.5	-169	176.4	-179	-164.3	-1.3	110	S4 E8 L12 L25	S4-R10 PolarHBondContact N-O 3.09Å; E8-R10 HydrophobicContact CB-CB 4.38Å; E8-R10 PolarHBondContact O-N 2.94Å; R10-L12 HydrophobicContact CG-CD2 4.36Å; R10-L25 PolarHBondContact NH1-O 2.86Å
11	V	83.4	Confident	81.6	Confident	62 Å²	62	59.9 Å²	59.9	38%	0.376	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	124.7	178.3	177.7	0	0	0	0	109.7	M1 L2 N9	M1-V11 HydrophobicContact CB-CG1 3.99Å; M1-V11 HydrophobicContact CE-CB 4.18Å; M1-V11 HydrophobicContact CE-CG1 3.39Å; M1-V11 HydrophobicContact CE-CG2 3.65Å; M1-V11 HydrophobicContact CG-CG1 4.12Å; M1-V11 HydrophobicContact SD-CG1 3.54Å; M1-V11 VanDerWaalsContact SD-CG1 3.54Å; L2-V11 CarbonylContact O-C 3.59Å; L2-V11 WeakPolarHBondContact O-CA 3.27Å; N9-V11 PolarHBondContact O-N 3.02Å
12	L	85.1	Confident	81.8	Confident	5 Å²	5	61.5 Å²	61.5	3%	0.026	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	110.7	174.1	-51.2	177.1	0	0	0	108.7	M1 L2 R10 I18 L20 L25 F89	M1-L12 WeakPolarHBondContact CA-O 3.37Å; L2-L12 HydrophobicContact CB-CB 4.24Å; L2-L12 PolarHBondContact N-O 3.13Å; L2-L12 PolarHBondContact O-N 3.42Å; R10-L12 HydrophobicContact CG-CD2 4.36Å; L12-I18 HydrophobicContact CB-CD1 3.8Å; L12-L20 HydrophobicContact CD1-CD2 4.08Å; L12-L25 HydrophobicContact CD1-CD2 4.35Å; L12-L25 HydrophobicContact CD1-CG 4.11Å; L12-L25 HydrophobicContact CD2-CD1 3.79Å; L12-L25 HydrophobicContact CD2-CG 4.05Å; L12-F89 HydrophobicContact CD1-CD1 4.17Å; L12-F89 HydrophobicContact CD1-CE1 3.67Å; L12-F89 HydrophobicContact CD1-CZ 4.42Å
13	P	82.4	Confident	81.8	Confident	81 Å²	81	63.6 Å²	63.6	53%	0.526	34%	0.34	S	S	.	.			trans	-70.7	138.5	175.2	28.5	-32.3	0	0	0	110.3
14	I	82.7	Confident	81.7	Confident	16 Å²	16	72 Å²	72	8%	0.082	37%	0.372	C	S	.	.			trans	-97.8	104.3	171.6	-46.4	-175.9	0	0	0	105.9	L2 I18 I40 Y49 F91	L2-I14 HydrophobicContact CD1-CD1 4.08Å; L2-I14 HydrophobicContact CD1-CG1 4.16Å; L2-I14 HydrophobicContact CD2-CD1 4.48Å; L2-I14 HydrophobicContact CG-CD1 3.98Å; L2-I14 HydrophobicContact CG-CG1 4.24Å; I14-I18 HydrophobicContact CB-CG2 4.42Å; I14-I18 HydrophobicContact CD1-CG2 4.33Å; I14-I18 HydrophobicContact CG1-CG2 3.96Å; I14-I18 HydrophobicContact CG2-CB 4.44Å; I14-I18 HydrophobicContact CG2-CG2 4.01Å; I14-I40 HydrophobicContact CD1-CB 4.44Å; I14-I40 HydrophobicContact CD1-CG2 3.8Å; I14-Y49 HydrophobicContact CB-CD1 4.46Å; I14-Y49 HydrophobicContact CB-CE1 3.88Å; I14-Y49 HydrophobicContact CD1-CD1 3.98Å; I14-Y49 HydrophobicContact CD1-CE1 4.13Å; I14-Y49 HydrophobicContact CG2-CD1 4.02Å; I14-Y49 HydrophobicContact CG2-CE1 3.69Å; I14-F91 HydrophobicContact CD1-CD2 4.05Å; I14-F91 HydrophobicContact CD1-CE2 3.8Å
15	K	72.5	Confident	81.5	Confident	158 Å²	158	73.8 Å²	73.8	69%	0.687	38%	0.38	S	S	*	.	S	Bend	trans	-87.3	-58.7	179.5	-70	-170.7	174.7	-170.8	0	111.1
16	D	74.8	Confident	81.5	Confident	106 Å²	106	71.6 Å²	71.6	57%	0.567	37%	0.369	S	S	*	.	S	Bend	trans	-121.9	-82.4	172.1	-59.1	-58.9	0	0	0	110	A41 Y42	D16-A41 WeakPolarHBondContact O-CA 3.4Å; D16-Y42 PolarHBondContact O-N 2.98Å
17	T	85.1	Confident	81.9	Confident	79 Å²	79	72.5 Å²	72.5	49%	0.485	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	127.5	171.9	-59.9	0	0	0	0	108.8	E39 I40 A41	T17-E39 HydrophobicContact CG2-CB 4.21Å; T17-I40 CarbonylContact C-O 3.43Å; T17-I40 VanDerWaalsContact CA-O 3.29Å; T17-I40 WeakPolarHBondContact CA-O 3.41Å; T17-A41 HydrophobicContact CG2-CB 4.27Å; T17-A41 WeakPolarHBondContact OG1-CB 3.42Å
18	I	90.8	Very high	83.1	Confident	14 Å²	14	69 Å²	69	7%	0.072	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	132	172.3	-164.7	171.3	0	0	0	109.6	L2 L12 I14 L20 L25 E39 I40	L2-I18 HydrophobicContact CD1-CD1 4.29Å; L2-I18 HydrophobicContact CD1-CG2 3.95Å; L12-I18 HydrophobicContact CB-CD1 3.8Å; I14-I18 HydrophobicContact CB-CG2 4.42Å; I14-I18 HydrophobicContact CD1-CG2 4.33Å; I14-I18 HydrophobicContact CG1-CG2 3.96Å; I14-I18 HydrophobicContact CG2-CB 4.44Å; I14-I18 HydrophobicContact CG2-CG2 4.01Å; I18-L20 HydrophobicContact CD1-CD2 4.41Å; I18-L20 HydrophobicContact CG1-CD2 4.33Å; I18-L25 HydrophobicContact CD1-CD2 3.59Å; I18-L25 HydrophobicContact CG1-CD2 3.41Å; I18-L25 VanDerWaalsContact CG1-CD2 3.41Å; I18-E39 WeakPolarHBondContact O-CA 3.44Å; I18-I40 HydrophobicContact CG2-CB 3.74Å; I18-I40 HydrophobicContact CG2-CD1 4.37Å; I18-I40 HydrophobicContact CG2-CG1 4.28Å; I18-I40 PolarHBondContact N-O 3.46Å; I18-I40 PolarHBondContact O-N 3.47Å
19	V	93.2	Very high	84.3	Confident	40 Å²	40	72.3 Å²	72.3	24%	0.242	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	114.1	179.9	-169.1	0	0	0	0	109.5	N23 R36 E39	V19-N23 PolarHBondContact O-ND2 3.12Å; V19-R36 HydrophobicContact CG1-CB 3.68Å; V19-R36 HydrophobicContact CG1-CG 3.67Å; V19-E39 HydrophobicContact CB-CG 4.39Å; V19-E39 HydrophobicContact CG1-CG 3.98Å; V19-E39 HydrophobicContact CG2-CG 4.02Å
20	L	92.5	Very high	85.3	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	140.1	176.3	-53.9	-177.4	0	0	0	109.8	L2 L12 I18 L25 T26 Q37 M38 I40 L82 F89	L2-L20 HydrophobicContact CD1-CD1 4.09Å; L2-L20 HydrophobicContact CD1-CD2 4.11Å; L2-L20 HydrophobicContact CD1-CG 4.5Å; L12-L20 HydrophobicContact CD1-CD2 4.08Å; I18-L20 HydrophobicContact CD1-CD2 4.41Å; I18-L20 HydrophobicContact CG1-CD2 4.33Å; L20-L25 HydrophobicContact CD2-CD2 4.17Å; L20-T26 HydrophobicContact CB-CG2 4.16Å; L20-T26 HydrophobicContact CD2-CG2 4Å; L20-Q37 WeakPolarHBondContact O-CA 3.42Å; L20-Q37 WeakPolarHBondContact O-CB 3.33Å; L20-Q37 PolarHBondContact O-N 2.8Å; L20-M38 HydrophobicContact CB-CB 4.39Å; L20-M38 PolarHBondContact N-O 3.26Å; L20-M38 PolarHBondContact O-N 3Å; L20-I40 HydrophobicContact CD1-CD1 3.6Å; L20-I40 HydrophobicContact CD1-CG1 4.49Å; L20-I40 HydrophobicContact CG-CD1 4.24Å; L20-L82 HydrophobicContact CB-CD1 3.98Å; L20-L82 HydrophobicContact CB-CD2 3.47Å; L20-L82 VanDerWaalsContact CB-CD2 3.47Å; L20-L82 HydrophobicContact CB-CG 4.34Å; L20-L82 HydrophobicContact CD1-CD2 4.03Å; L20-L82 HydrophobicContact CG-CD2 4.44Å; L20-F89 HydrophobicContact CD1-CD2 4.45Å
21	G	93	Very high	85.7	Confident	0 Å²	0	73.3 Å²	73.3	0%	0	35%	0.352	C	S	.	.	S	Bend	trans	167.5	-163.7	-180	0	0	0	0	0	111.2	N23 T26 S34	G21-N23 PolarHBondContact O-N 3.18Å; G21-T26 PolarHBondContact O-OG1 3.48Å; G21-S34 CarbonylContact C-O 3.56Å; G21-S34 WeakPolarHBondContact CA-O 3.5Å
22	R	92	Very high	86.1	Confident	87 Å²	87	72 Å²	72	33%	0.328	35%	0.347	S	S	.	.	S	Bend	trans	-71.9	71.9	173	-166.6	179.6	64.7	129.6	-6.6	111.4	M28 K29 H30 C33 S34	R22-M28 WeakPolarHBondContact CG-O 3.21Å; R22-K29 WeakPolarHBondContact CD-O 3.2Å; R22-H30 WeakPolarHBondContact CD-O 3.46Å; R22-C33 HydrophobicContact CB-CB 4.48Å; R22-C33 VanDerWaalsContact CB-O 3.3Å; R22-C33 WeakPolarHBondContact CB-O 3.49Å; R22-S34 PolarHBondContact N-O 3.11Å
23	N	88.7	Confident	86.4	Confident	43 Å²	43	71.9 Å²	71.9	23%	0.23	35%	0.346	C	S	.	.	S	Bend	trans	-139.7	172.5	-174.2	66.1	28.3	0	0	0	112.2	V19 G21 L25 T26 K27 R35	V19-N23 PolarHBondContact O-ND2 3.12Å; G21-N23 PolarHBondContact O-N 3.18Å; N23-L25 PolarHBondContact O-N 2.74Å; N23-L25 WeakPolarHBondContact OD1-CB 3.32Å; N23-L25 PolarHBondContact OD1-N 2.89Å; N23-T26 PolarHBondContact O-N 3.04Å; N23-T26 PolarHBondContact OD1-N 3.07Å; N23-T26 VanDerWaalsContact OD1-N 3.13Å; N23-K27 PolarHBondContact O-N 3.37Å; N23-R35 PolarHBondContact ND2-O 3.13Å
24	R	86.1	Confident	86.9	Confident	237 Å²	237	69.6 Å²	69.6	89%	0.894	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-28.8	-178.6	-73.7	-175.6	174	-178.1	-1.7	113.3
25	L	85.4	Confident	87.4	Confident	58 Å²	58	77.4 Å²	77.4	30%	0.304	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-49.6	-177.7	-177	75.1	0	0	0	111.1	R10 L12 I18 L20 N23	R10-L25 PolarHBondContact NH1-O 2.86Å; L12-L25 HydrophobicContact CD1-CD2 4.35Å; L12-L25 HydrophobicContact CD1-CG 4.11Å; L12-L25 HydrophobicContact CD2-CD1 3.79Å; L12-L25 HydrophobicContact CD2-CG 4.05Å; I18-L25 HydrophobicContact CD1-CD2 3.59Å; I18-L25 HydrophobicContact CG1-CD2 3.41Å; I18-L25 VanDerWaalsContact CG1-CD2 3.41Å; L20-L25 HydrophobicContact CD2-CD2 4.17Å; N23-L25 PolarHBondContact O-N 2.74Å; N23-L25 WeakPolarHBondContact OD1-CB 3.32Å; N23-L25 PolarHBondContact OD1-N 2.89Å
26	T	85.1	Confident	88.5	Confident	22 Å²	22	76.6 Å²	76.6	14%	0.135	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-12.9	-179.3	70.2	0	0	0	0	113.5	L20 G21 N23 M28 L82 F89	L20-T26 HydrophobicContact CB-CG2 4.16Å; L20-T26 HydrophobicContact CD2-CG2 4Å; G21-T26 PolarHBondContact O-OG1 3.48Å; N23-T26 PolarHBondContact O-N 3.04Å; N23-T26 PolarHBondContact OD1-N 3.07Å; N23-T26 VanDerWaalsContact OD1-N 3.13Å; T26-M28 PolarHBondContact O-N 2.79Å; T26-M28 VanDerWaalsContact O-N 3.09Å; T26-M28 WeakPolarHBondContact OG1-CB 3.28Å; T26-M28 PolarHBondContact OG1-N 2.67Å; T26-M28 VanDerWaalsContact OG1-N 3.13Å; T26-L82 HydrophobicContact CG2-CD1 4.03Å; T26-F89 HydrophobicContact CG2-CZ 4.14Å
27	K	83.7	Confident	89.4	Confident	114 Å²	114	71.5 Å²	71.5	50%	0.496	33%	0.326	S	S	.	.			trans	56.7	13.2	-169.7	-64.1	177.3	176.5	175.9	0	114.2	E8 N23 K29	E8-K27 VanDerWaalsContact CD-NZ 3.31Å; E8-K27 IonicContact OE1-NZ 3.71Å; E8-K27 PolarHBondContact OE1-NZ 2.91Å; E8-K27 IonicContact OE2-NZ 2.69Å; E8-K27 PolarHBondContact OE2-NZ 3.2Å; N23-K27 PolarHBondContact O-N 3.37Å; K27-K29 PolarHBondContact O-N 3.44Å
28	M	83.1	Confident	89.9	Confident	15 Å²	15	67.8 Å²	67.8	7%	0.074	30%	0.303	C	S	.	.			trans	-70.6	136.4	-178.9	-161.7	-170.1	-41	0	0	110.6	R22 T26 H30 C33 L82 C87	R22-M28 WeakPolarHBondContact CG-O 3.21Å; T26-M28 PolarHBondContact O-N 2.79Å; T26-M28 VanDerWaalsContact O-N 3.09Å; T26-M28 WeakPolarHBondContact OG1-CB 3.28Å; T26-M28 PolarHBondContact OG1-N 2.67Å; T26-M28 VanDerWaalsContact OG1-N 3.13Å; M28-H30 HydrophobicContact CG-CB 4.25Å; M28-H30 HydrophobicContact SD-CB 4.2Å; M28-C33 HydrophobicContact CE-CB 4.1Å; M28-C33 WeakPolarHBondContact CE-SG 3.26Å; M28-C33 HydrophobicContact SD-CB 3.17Å; M28-C33 WeakPolarHBondContact SD-CB 3.5Å; M28-C33 PolarHBondContact SD-SG 3.34Å; M28-L82 HydrophobicContact CE-CB 3.55Å; M28-L82 HydrophobicContact CE-CD1 3.15Å; M28-L82 HydrophobicContact CE-CG 3.97Å; M28-C87 HydrophobicContact CE-CB 3.51Å; M28-C87 VanDerWaalsContact CE-SG 3.55Å; M28-C87 HydrophobicContact SD-CB 4.37Å
29	K	85.9	Confident	90.1	Very high	189 Å²	189	67.9 Å²	67.9	82%	0.822	30%	0.303	S	S	*	.			trans	-114.4	-9.2	176.4	-63.9	-175.4	-179.9	180	0	113.9	R22 K27 I31	R22-K29 WeakPolarHBondContact CD-O 3.2Å; K27-K29 PolarHBondContact O-N 3.44Å; K29-I31 PolarHBondContact O-N 3.04Å
30	H	87	Confident	90.1	Very high	73 Å²	73	66 Å²	66	34%	0.338	29%	0.292	S	S	.	.			trans	-62	125.3	-174.8	-162.3	-84.6	0	0	0	112.3	R22 M28 S32 C33 L83 R86	R22-H30 WeakPolarHBondContact CD-O 3.46Å; M28-H30 HydrophobicContact CG-CB 4.25Å; M28-H30 HydrophobicContact SD-CB 4.2Å; H30-S32 VanDerWaalsContact C-N 3.3Å; H30-S32 PolarHBondContact CE1-OG 2.95Å; H30-S32 PolarHBondContact ND1-N 3.34Å; H30-S32 PolarHBondContact ND1-OG 2.66Å; H30-S32 PolarHBondContact O-N 3.46Å; H30-C33 PolarHBondContact O-N 3.49Å; H30-L83 HydrophobicContact CB-CD1 4.38Å; H30-R86 PolarHBondContact CD2-NH1 2.79Å; H30-R86 PolarHBondContact NE2-NH1 3.24Å
31	I	88.1	Confident	89.8	Confident	140 Å²	140	67.4 Å²	67.4	72%	0.718	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-29.4	-169.2	-157.8	164	0	0	0	113.6	K29 C33	K29-I31 PolarHBondContact O-N 3.04Å; I31-C33 PolarHBondContact O-N 3.37Å
32	S	91.4	Very high	89.3	Confident	36 Å²	36	70.1 Å²	70.1	25%	0.252	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-19.2	175.9	-44.1	0	0	0	0	113.2	H30 H57	H30-S32 VanDerWaalsContact C-N 3.3Å; H30-S32 PolarHBondContact CE1-OG 2.95Å; H30-S32 PolarHBondContact ND1-N 3.34Å; H30-S32 PolarHBondContact ND1-OG 2.66Å; H30-S32 PolarHBondContact O-N 3.46Å; S32-H57 PolarHBondContact O-ND1 3.32Å
33	C	91.3	Very high	88.6	Confident	1 Å²	1	67.8 Å²	67.8	1%	0.007	31%	0.308	C	S	.	.	S	Bend	trans	-84.3	123.2	175.9	-173.3	0	0	0	0	110.1	R22 M28 H30 I31 L83	R22-C33 HydrophobicContact CB-CB 4.48Å; R22-C33 VanDerWaalsContact CB-O 3.3Å; R22-C33 WeakPolarHBondContact CB-O 3.49Å; M28-C33 HydrophobicContact CE-CB 4.1Å; M28-C33 WeakPolarHBondContact CE-SG 3.26Å; M28-C33 HydrophobicContact SD-CB 3.17Å; M28-C33 WeakPolarHBondContact SD-CB 3.5Å; M28-C33 PolarHBondContact SD-SG 3.34Å; H30-C33 PolarHBondContact O-N 3.49Å; I31-C33 PolarHBondContact O-N 3.37Å; C33-L83 HydrophobicContact CB-CD1 3.94Å; C33-L83 HydrophobicContact CB-CG 4.18Å
34	S	92.9	Very high	87.4	Confident	34 Å²	34	71.4 Å²	71.4	24%	0.238	33%	0.326	C	S	.	.			trans	-63.5	151.4	175.3	-63.6	0	0	0	0	110.6	G21 R22 R36 Q37 G55 R56	G21-S34 CarbonylContact C-O 3.56Å; G21-S34 WeakPolarHBondContact CA-O 3.5Å; R22-S34 PolarHBondContact N-O 3.11Å; S34-R36 WeakPolarHBondContact CB-O 3.48Å; S34-R36 PolarHBondContact O-N 2.86Å; S34-R36 VanDerWaalsContact O-N 3.17Å; S34-Q37 PolarHBondContact OG-OE1 3.1Å; S34-G55 WeakPolarHBondContact OG-CA 3.25Å; S34-R56 PolarHBondContact OG-N 3.02Å; S34-R56 VanDerWaalsContact OG-N 3.1Å
35	R	93	Very high	86.5	Confident	179 Å²	179	65.4 Å²	65.4	68%	0.675	32%	0.318	S	S	*	.	S	Bend	trans	-57.5	-29.5	174.3	-70.9	-175.8	172.6	134.9	-4.3	112.2	N23	N23-R35 PolarHBondContact ND2-O 3.13Å
36	R	94.6	Very high	85.9	Confident	141 Å²	141	65.7 Å²	65.7	53%	0.532	32%	0.323	S	S	.	.	S	Bend	trans	-123.4	93.7	168.5	-52.7	177.5	64.5	161.7	1.9	107.5	V19 S34 E39 G55	V19-R36 HydrophobicContact CG1-CB 3.68Å; V19-R36 HydrophobicContact CG1-CG 3.67Å; S34-R36 WeakPolarHBondContact CB-O 3.48Å; S34-R36 PolarHBondContact O-N 2.86Å; S34-R36 VanDerWaalsContact O-N 3.17Å; R36-E39 IonicContact CZ-OE1 2.73Å; R36-E39 IonicContact NE-OE1 3.99Å; R36-E39 PolarHBondContact NE-OE1 3.43Å; R36-E39 IonicContact NH2-OE1 3.93Å; R36-E39 PolarHBondContact NH2-OE1 3.48Å; R36-E39 IonicContact NH2-OE2 3.87Å; R36-G55 PolarHBondContact O-N 3.29Å
37	Q	95	Very high	85.4	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	33%	0.33	C	S	.	.			trans	-93.7	-42.6	-177.6	-175.1	69.7	12	0	0	110.8	L20 S34 V54 G55 H57 S59 L82	L20-Q37 WeakPolarHBondContact O-CA 3.42Å; L20-Q37 WeakPolarHBondContact O-CB 3.33Å; L20-Q37 PolarHBondContact O-N 2.8Å; S34-Q37 PolarHBondContact OG-OE1 3.1Å; Q37-V54 PolarHBondContact O-N 2.72Å; Q37-G55 PolarHBondContact O-N 3.07Å; Q37-G55 VanDerWaalsContact O-N 3.09Å; Q37-H57 PolarHBondContact NE2-O 2.77Å; Q37-S59 PolarHBondContact NE2-OG 3.49Å; Q37-L82 HydrophobicContact CB-CD2 4.16Å; Q37-L82 HydrophobicContact CG-CB 4.25Å; Q37-L82 HydrophobicContact CG-CD2 4.11Å; Q37-L82 VanDerWaalsContact CG-O 3.28Å; Q37-L82 WeakPolarHBondContact CG-O 3.31Å; Q37-L82 PolarHBondContact NE2-O 3.02Å
38	M	94.8	Very high	85.4	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	150.5	174.7	-69.9	177.2	179.5	0	0	110.6	L20 V51 R52 V61 I66 L80 L82	L20-M38 HydrophobicContact CB-CB 4.39Å; L20-M38 PolarHBondContact N-O 3.26Å; L20-M38 PolarHBondContact O-N 3Å; M38-V51 HydrophobicContact CB-CG1 3.95Å; M38-V51 HydrophobicContact CG-CG1 3.93Å; M38-V51 HydrophobicContact SD-CG1 3.76Å; M38-R52 WeakPolarHBondContact CA-O 3.44Å; M38-V61 HydrophobicContact CE-CG2 3.62Å; M38-V61 HydrophobicContact SD-CG2 4.22Å; M38-I66 HydrophobicContact CE-CD1 3.95Å; M38-I66 HydrophobicContact CE-CG1 4.44Å; M38-L80 HydrophobicContact SD-CB 4.36Å; M38-L80 HydrophobicContact SD-CD2 4Å; M38-L82 HydrophobicContact CB-CD2 4.15Å; M38-L82 HydrophobicContact CG-CD2 3.98Å; M38-L82 HydrophobicContact SD-CD2 3.78Å
39	E	94.9	Very high	85.7	Confident	17 Å²	17	64.2 Å²	64.2	8%	0.079	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	132	170.6	-69.2	178.6	-164.6	0	0	109	T17 I18 V19 R36 V51 R52 V54	T17-E39 HydrophobicContact CG2-CB 4.21Å; I18-E39 WeakPolarHBondContact O-CA 3.44Å; V19-E39 HydrophobicContact CB-CG 4.39Å; V19-E39 HydrophobicContact CG1-CG 3.98Å; V19-E39 HydrophobicContact CG2-CG 4.02Å; R36-E39 IonicContact CZ-OE1 2.73Å; R36-E39 IonicContact NE-OE1 3.99Å; R36-E39 PolarHBondContact NE-OE1 3.43Å; R36-E39 IonicContact NH2-OE1 3.93Å; R36-E39 PolarHBondContact NH2-OE1 3.48Å; R36-E39 IonicContact NH2-OE2 3.87Å; E39-V51 CarbonylContact O-C 3.47Å; E39-V51 VanDerWaalsContact O-CA 3.31Å; E39-V51 WeakPolarHBondContact O-CA 3.47Å; E39-R52 VanDerWaalsContact CD-NH2 3.31Å; E39-R52 PolarHBondContact N-O 2.96Å; E39-R52 PolarHBondContact O-N 3.4Å; E39-R52 IonicContact OE1-NH2 3.9Å; E39-R52 IonicContact OE2-CZ 3.76Å; E39-R52 IonicContact OE2-NE 3Å; E39-R52 IonicContact OE2-NH2 2.92Å; E39-R52 PolarHBondContact OE2-NH2 2.92Å; E39-V54 HydrophobicContact CB-CG2 4.18Å; E39-V54 HydrophobicContact CG-CG2 3.73Å
40	I	93.7	Very high	86	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	119.8	-178.2	-46.2	174.9	0	0	0	107.4	L2 I14 T17 I18 L20 R50 V51 L74 L80	L2-I40 HydrophobicContact CD1-CD1 3.68Å; L2-I40 HydrophobicContact CD2-CD1 3.99Å; L2-I40 HydrophobicContact CG-CD1 4.44Å; I14-I40 HydrophobicContact CD1-CB 4.44Å; I14-I40 HydrophobicContact CD1-CG2 3.8Å; T17-I40 CarbonylContact C-O 3.43Å; T17-I40 VanDerWaalsContact CA-O 3.29Å; T17-I40 WeakPolarHBondContact CA-O 3.41Å; I18-I40 HydrophobicContact CG2-CB 3.74Å; I18-I40 HydrophobicContact CG2-CD1 4.37Å; I18-I40 HydrophobicContact CG2-CG1 4.28Å; I18-I40 PolarHBondContact N-O 3.46Å; I18-I40 PolarHBondContact O-N 3.47Å; L20-I40 HydrophobicContact CD1-CD1 3.6Å; L20-I40 HydrophobicContact CD1-CG1 4.49Å; L20-I40 HydrophobicContact CG-CD1 4.24Å; I40-R50 VanDerWaalsContact CA-O 3.28Å; I40-R50 WeakPolarHBondContact CA-O 3.41Å; I40-V51 HydrophobicContact CD1-CG2 4.29Å; I40-V51 HydrophobicContact CG1-CB 4.43Å; I40-V51 HydrophobicContact CG1-CG1 4.19Å; I40-V51 HydrophobicContact CG1-CG2 3.99Å; I40-V51 HydrophobicContact CG2-CG2 4.32Å; I40-L74 HydrophobicContact CG2-CD1 3.74Å; I40-L80 HydrophobicContact CD1-CD2 3.46Å; I40-L80 VanDerWaalsContact CD1-CD2 3.46Å; I40-L80 HydrophobicContact CG1-CD2 4.35Å
41	A	86.8	Confident	86.4	Confident	30 Å²	30	56.1 Å²	56.1	25%	0.248	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	154.7	-177.9	0	0	0	0	0	110.5	D16 T17 Y49 R50	D16-A41 WeakPolarHBondContact O-CA 3.4Å; T17-A41 HydrophobicContact CG2-CB 4.27Å; T17-A41 WeakPolarHBondContact OG1-CB 3.42Å; A41-Y49 CarbonylContact O-C 3.52Å; A41-Y49 WeakPolarHBondContact O-CA 3.46Å; A41-R50 PolarHBondContact N-O 2.82Å; A41-R50 PolarHBondContact O-N 3.26Å
42	Y	82.8	Confident	86.7	Confident	57 Å²	57	54.5 Å²	54.5	22%	0.224	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	122.8	166	-165.3	-107.1	0	0	0	109.7	D16 L44 D47 Y49	D16-Y42 PolarHBondContact O-N 2.98Å; Y42-L44 HydrophobicContact CD1-CD2 4.04Å; Y42-L44 HydrophobicContact CD1-CG 4.27Å; Y42-L44 HydrophobicContact CE1-CD2 3.98Å; Y42-D47 VanDerWaalsContact OH-CG 3.28Å; Y42-D47 PolarHBondContact OH-OD1 2.97Å; Y42-Y49 AromaticContact CD2-CD1 3.96Å; Y42-Y49 HydrophobicContact CD2-CD1 3.96Å; Y42-Y49 AromaticContact CD2-CD2 3.73Å; Y42-Y49 HydrophobicContact CD2-CD2 3.73Å; Y42-Y49 AromaticContact CD2-CE1 3.73Å; Y42-Y49 HydrophobicContact CD2-CE1 3.73Å; Y42-Y49 AromaticContact CD2-CE2 3.53Å; Y42-Y49 HydrophobicContact CD2-CE2 3.53Å; Y42-Y49 AromaticContact CD2-CG 3.98Å; Y42-Y49 HydrophobicContact CD2-CG 3.98Å; Y42-Y49 AromaticContact CD2-CZ 3.52Å; Y42-Y49 HydrophobicContact CE2-CD2 4.05Å; Y42-Y49 AromaticContact CE2-CE2 3.75Å; Y42-Y49 HydrophobicContact CE2-CE2 3.75Å; Y42-Y49 HydrophobicContact CG-CE1 4.34Å
43	D	76.1	Confident	86.9	Confident	37 Å²	37	52.9 Å²	52.9	20%	0.198	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	100	176	-178.3	43.4	0	0	0	109.5	P45 T46 D47 S48 R50	D43-P45 WeakPolarHBondContact OD1-CD 3.46Å; D43-T46 PolarHBondContact O-N 3.11Å; D43-T46 WeakPolarHBondContact OD2-CB 3.27Å; D43-T46 WeakPolarHBondContact OD2-CG2 3.38Å; D43-T46 PolarHBondContact OD2-OG1 3.32Å; D43-D47 PolarHBondContact O-N 3.3Å; D43-S48 PolarHBondContact N-O 2.97Å; D43-S48 PolarHBondContact O-N 2.69Å; D43-R50 HydrophobicContact CB-CG 3.99Å; D43-R50 IonicContact OD2-CZ 3.02Å; D43-R50 IonicContact OD2-NE 2.72Å; D43-R50 PolarHBondContact OD2-NE 2.8Å; D43-R50 IonicContact OD2-NH1 3.41Å; D43-R50 IonicContact OD2-NH2 2.74Å; D43-R50 PolarHBondContact OD2-NH2 2.86Å
44	L	64.1	Low	87.1	Confident	119 Å²	119	54.4 Å²	54.4	62%	0.623	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-54	-47.7	-177.5	-77.1	166.3	0	0	0	113.1	Y42 T46 D47	Y42-L44 HydrophobicContact CD1-CD2 4.04Å; Y42-L44 HydrophobicContact CD1-CG 4.27Å; Y42-L44 HydrophobicContact CE1-CD2 3.98Å; L44-T46 PolarHBondContact O-N 3.06Å; L44-D47 PolarHBondContact O-N 2.85Å
45	P	67.6	Low	87.1	Confident	111 Å²	111	52.9 Å²	52.9	72%	0.721	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-55.6	-31.5	177.6	-28.8	33.5	0	0	0	115.7	D43	D43-P45 WeakPolarHBondContact OD1-CD 3.46Å
46	T	72.5	Confident	87	Confident	65 Å²	65	54.7 Å²	54.7	40%	0.399	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-109.2	6.9	-178.7	62.9	0	0	0	0	114.3	D43 L44 S48 R50	D43-T46 PolarHBondContact O-N 3.11Å; D43-T46 WeakPolarHBondContact OD2-CB 3.27Å; D43-T46 WeakPolarHBondContact OD2-CG2 3.38Å; D43-T46 PolarHBondContact OD2-OG1 3.32Å; L44-T46 PolarHBondContact O-N 3.06Å; T46-S48 PolarHBondContact O-N 2.93Å; T46-S48 VanDerWaalsContact O-N 3.1Å; T46-S48 PolarHBondContact OG1-OG 2.82Å; T46-R50 PolarHBondContact OG1-NH2 2.91Å
47	D	74.9	Confident	86.9	Confident	55 Å²	55	51.9 Å²	51.9	29%	0.294	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.7	35.6	-176.4	-150.4	39	0	0	0	112.6	Y42 D43 L44 R99	Y42-D47 VanDerWaalsContact OH-CG 3.28Å; Y42-D47 PolarHBondContact OH-OD1 2.97Å; D43-D47 PolarHBondContact O-N 3.3Å; L44-D47 PolarHBondContact O-N 2.85Å; D47-R99 IonicContact OD1-NH2 2.86Å; D47-R99 IonicContact OD2-CZ 2.72Å; D47-R99 IonicContact OD2-NH1 3.82Å; D47-R99 IonicContact OD2-NH2 2.96Å; D47-R99 PolarHBondContact OD2-NH2 2.56Å
48	S	83.2	Confident	86.9	Confident	20 Å²	20	59.1 Å²	59.1	14%	0.14	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	154.4	-169.8	77.7	0	0	0	0	112.9	D43 T46 T73	D43-S48 PolarHBondContact N-O 2.97Å; D43-S48 PolarHBondContact O-N 2.69Å; T46-S48 PolarHBondContact O-N 2.93Å; T46-S48 VanDerWaalsContact O-N 3.1Å; T46-S48 PolarHBondContact OG1-OG 2.82Å; S48-T73 WeakPolarHBondContact OG-CG2 3.41Å
49	Y	89.8	Confident	87	Confident	45 Å²	45	59.1 Å²	59.1	18%	0.176	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	128.2	172.7	-73.1	-90.1	0	0	0	109.7	I14 A41 Y42 T73 L74 F91	I14-Y49 HydrophobicContact CB-CD1 4.46Å; I14-Y49 HydrophobicContact CB-CE1 3.88Å; I14-Y49 HydrophobicContact CD1-CD1 3.98Å; I14-Y49 HydrophobicContact CD1-CE1 4.13Å; I14-Y49 HydrophobicContact CG2-CD1 4.02Å; I14-Y49 HydrophobicContact CG2-CE1 3.69Å; A41-Y49 CarbonylContact O-C 3.52Å; A41-Y49 WeakPolarHBondContact O-CA 3.46Å; Y42-Y49 AromaticContact CD2-CD1 3.96Å; Y42-Y49 HydrophobicContact CD2-CD1 3.96Å; Y42-Y49 AromaticContact CD2-CD2 3.73Å; Y42-Y49 HydrophobicContact CD2-CD2 3.73Å; Y42-Y49 AromaticContact CD2-CE1 3.73Å; Y42-Y49 HydrophobicContact CD2-CE1 3.73Å; Y42-Y49 AromaticContact CD2-CE2 3.53Å; Y42-Y49 HydrophobicContact CD2-CE2 3.53Å; Y42-Y49 AromaticContact CD2-CG 3.98Å; Y42-Y49 HydrophobicContact CD2-CG 3.98Å; Y42-Y49 AromaticContact CD2-CZ 3.52Å; Y42-Y49 HydrophobicContact CE2-CD2 4.05Å; Y42-Y49 AromaticContact CE2-CE2 3.75Å; Y42-Y49 HydrophobicContact CE2-CE2 3.75Å; Y42-Y49 HydrophobicContact CG-CE1 4.34Å; Y49-T73 WeakPolarHBondContact O-CA 3.49Å; Y49-L74 PolarHBondContact O-N 3.25Å; Y49-F91 HydrophobicContact CD1-CE2 4.33Å; Y49-F91 HydrophobicContact CD2-CE1 4.32Å; Y49-F91 AromaticContact CD2-CE2 3.9Å; Y49-F91 HydrophobicContact CD2-CE2 3.9Å; Y49-F91 AromaticContact CD2-CZ 3.32Å; Y49-F91 HydrophobicContact CD2-CZ 3.32Å; Y49-F91 HydrophobicContact CE2-CE2 4.3Å; Y49-F91 AromaticContact CE2-CZ 3.86Å; Y49-F91 HydrophobicContact CE2-CZ 3.86Å; Y49-F91 AromaticContact CG-CE2 3.87Å; Y49-F91 HydrophobicContact CG-CE2 3.87Å; Y49-F91 AromaticContact CG-CZ 3.68Å; Y49-F91 HydrophobicContact CG-CZ 3.68Å
50	R	91.9	Very high	87	Confident	91 Å²	91	59.1 Å²	59.1	34%	0.343	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	134.4	177.7	-65.3	-172.6	-177.8	-166.8	3.9	110.8	I40 A41 D43 T46 V71	I40-R50 VanDerWaalsContact CA-O 3.28Å; I40-R50 WeakPolarHBondContact CA-O 3.41Å; A41-R50 PolarHBondContact N-O 2.82Å; A41-R50 PolarHBondContact O-N 3.26Å; D43-R50 HydrophobicContact CB-CG 3.99Å; D43-R50 IonicContact OD2-CZ 3.02Å; D43-R50 IonicContact OD2-NE 2.72Å; D43-R50 PolarHBondContact OD2-NE 2.8Å; D43-R50 IonicContact OD2-NH1 3.41Å; D43-R50 IonicContact OD2-NH2 2.74Å; D43-R50 PolarHBondContact OD2-NH2 2.86Å; T46-R50 PolarHBondContact OG1-NH2 2.91Å; R50-V71 HydrophobicContact CB-CG1 4.05Å; R50-V71 HydrophobicContact CG-CG1 4.45Å
51	V	94.8	Very high	87.1	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	127.4	167.5	-172.1	0	0	0	0	108.2	M38 E39 I40 V61 V71 V72 L74 L80	M38-V51 HydrophobicContact CB-CG1 3.95Å; M38-V51 HydrophobicContact CG-CG1 3.93Å; M38-V51 HydrophobicContact SD-CG1 3.76Å; E39-V51 CarbonylContact O-C 3.47Å; E39-V51 VanDerWaalsContact O-CA 3.31Å; E39-V51 WeakPolarHBondContact O-CA 3.47Å; I40-V51 HydrophobicContact CD1-CG2 4.29Å; I40-V51 HydrophobicContact CG1-CB 4.43Å; I40-V51 HydrophobicContact CG1-CG1 4.19Å; I40-V51 HydrophobicContact CG1-CG2 3.99Å; I40-V51 HydrophobicContact CG2-CG2 4.32Å; V51-V61 HydrophobicContact CG1-CG2 4.23Å; V51-V61 HydrophobicContact CG2-CG1 4.36Å; V51-V71 CarbonylContact O-C 3.58Å; V51-V71 VanDerWaalsContact O-CA 3.23Å; V51-V71 WeakPolarHBondContact O-CA 3.44Å; V51-V72 PolarHBondContact N-O 3.25Å; V51-V72 PolarHBondContact O-N 2.64Å; V51-L74 HydrophobicContact CG2-CD1 3.49Å; V51-L74 VanDerWaalsContact CG2-CD1 3.49Å; V51-L74 HydrophobicContact CG2-CD2 3.55Å; V51-L74 HydrophobicContact CG2-CG 3.45Å; V51-L74 VanDerWaalsContact CG2-CG 3.45Å; V51-L80 HydrophobicContact CG1-CD2 4.21Å; V51-L80 HydrophobicContact CG2-CD2 3.52Å
52	R	94.8	Very high	87.4	Confident	107 Å²	107	59.7 Å²	59.7	40%	0.404	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	127.3	166.5	-175.3	172.3	66.6	101.1	-2.7	109.3	M38 E39 V54 D70 V71	M38-R52 WeakPolarHBondContact CA-O 3.44Å; E39-R52 VanDerWaalsContact CD-NH2 3.31Å; E39-R52 PolarHBondContact N-O 2.96Å; E39-R52 PolarHBondContact O-N 3.4Å; E39-R52 IonicContact OE1-NH2 3.9Å; E39-R52 IonicContact OE2-CZ 3.76Å; E39-R52 IonicContact OE2-NE 3Å; E39-R52 IonicContact OE2-NH2 2.92Å; E39-R52 PolarHBondContact OE2-NH2 2.92Å; R52-V54 WeakPolarHBondContact O-CG2 3.29Å; R52-D70 WeakPolarHBondContact CA-O 3.46Å; R52-V71 HydrophobicContact CB-CG2 4.2Å; R52-V71 HydrophobicContact CG-CG2 3.98Å
53	H	96.5	Very high	87.8	Confident	1 Å²	1	60.4 Å²	60.4	1%	0.005	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	130.9	172.9	-171.1	-74.6	0	0	0	110.5	G55 H57 S59 I66 A67 K68 G69 D70	H53-G55 PolarHBondContact CE1-O 2.65Å; H53-G55 PolarHBondContact ND1-O 2.7Å; H53-H57 PolarHBondContact CE1-O 2.96Å; H53-H57 PolarHBondContact NE2-O 3.49Å; H53-S59 PolarHBondContact CD2-OG 2.8Å; H53-S59 PolarHBondContact NE2-OG 3.35Å; H53-I66 HydrophobicContact CB-CD1 3.91Å; H53-I66 HydrophobicContact CB-CG1 4.25Å; H53-A67 VanDerWaalsContact CB-O 3.26Å; H53-A67 WeakPolarHBondContact CB-O 3.32Å; H53-K68 VanDerWaalsContact ND1-CA 3.28Å; H53-K68 WeakPolarHBondContact ND1-CA 3.44Å; H53-K68 PolarHBondContact ND1-N 2.83Å; H53-K68 VanDerWaalsContact ND1-N 3.19Å; H53-G69 PolarHBondContact O-N 3.24Å; H53-D70 PolarHBondContact N-O 2.89Å
54	V	94.6	Very high	88.7	Confident	34 Å²	34	66 Å²	66	21%	0.206	33%	0.331	C	S	.	.			trans	-127.1	-22.5	-173.3	-151.6	0	0	0	0	112.1	Q37 E39 R52	Q37-V54 PolarHBondContact O-N 2.72Å; E39-V54 HydrophobicContact CB-CG2 4.18Å; E39-V54 HydrophobicContact CG-CG2 3.73Å; R52-V54 WeakPolarHBondContact O-CG2 3.29Å
55	G	92	Very high	90.2	Very high	2 Å²	2	64.4 Å²	64.4	2%	0.021	32%	0.323	C	S	.	.	S	Bend	trans	-73.1	173.4	-176	0	0	0	0	0	114.1	S34 R36 Q37 H53	S34-G55 WeakPolarHBondContact OG-CA 3.25Å; R36-G55 PolarHBondContact O-N 3.29Å; Q37-G55 PolarHBondContact O-N 3.07Å; Q37-G55 VanDerWaalsContact O-N 3.09Å; H53-G55 PolarHBondContact CE1-O 2.65Å; H53-G55 PolarHBondContact ND1-O 2.7Å
56	R	91	Very high	91.5	Very high	216 Å²	216	59.4 Å²	59.4	82%	0.815	29%	0.291	S	S	*	.	S	Bend	trans	-78.9	-44.3	178.7	-177.6	179.3	175.9	-178.4	-1	112.9	S34	S34-R56 PolarHBondContact OG-N 3.02Å; S34-R56 VanDerWaalsContact OG-N 3.1Å
57	H	93.4	Very high	92.6	Very high	83 Å²	83	58 Å²	58	38%	0.384	29%	0.285	S	S	.	.	S	Bend	trans	-85.6	147.9	-177.8	-66.9	89.3	0	0	0	110.5	S32 Q37 H53 L83	S32-H57 PolarHBondContact O-ND1 3.32Å; Q37-H57 PolarHBondContact NE2-O 2.77Å; H53-H57 PolarHBondContact CE1-O 2.96Å; H53-H57 PolarHBondContact NE2-O 3.49Å; H57-L83 HydrophobicContact CB-CD2 3.84Å
58	R	95.1	Very high	93.5	Very high	151 Å²	151	62.9 Å²	62.9	57%	0.57	30%	0.304	S	S	*	.			trans	-59.6	157.5	176.6	-63.9	-172.1	175.7	-178.6	-4.9	111.2	L65 I66 A67 P84	R58-L65 HydrophobicContact CB-CD1 4.03Å; R58-L65 HydrophobicContact CB-CD2 4.45Å; R58-L65 HydrophobicContact CB-CG 4.1Å; R58-L65 VanDerWaalsContact NH1-CD2 3.32Å; R58-I66 WeakPolarHBondContact CA-O 3.43Å; R58-A67 HydrophobicContact CG-CB 4.33Å; R58-P84 VanDerWaalsContact O-CD 3.3Å; R58-P84 WeakPolarHBondContact O-CD 3.38Å
59	S	96.3	Very high	94	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	174.6	177.1	-55.4	0	0	0	0	110	Q37 H53 L65 I66 E81 L82	Q37-S59 PolarHBondContact NE2-OG 3.49Å; H53-S59 PolarHBondContact CD2-OG 2.8Å; H53-S59 PolarHBondContact NE2-OG 3.35Å; S59-L65 CarbonylContact O-C 3.45Å; S59-L65 WeakPolarHBondContact O-CA 3.17Å; S59-I66 PolarHBondContact N-O 3.43Å; S59-I66 PolarHBondContact O-N 3.32Å; S59-E81 VanDerWaalsContact CB-O 3.27Å; S59-E81 WeakPolarHBondContact CB-O 3.45Å; S59-L82 PolarHBondContact OG-O 3.37Å
60	V	96.3	Very high	94.3	Very high	17 Å²	17	65.7 Å²	65.7	10%	0.103	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	134.3	177.7	-175.2	0	0	0	0	109.6	K64 L65 L80 E81 P84	V60-K64 CarbonylContact C-O 3.57Å; V60-K64 VanDerWaalsContact CA-O 3.3Å; V60-K64 WeakPolarHBondContact CA-O 3.35Å; V60-L65 HydrophobicContact CG2-CD1 3.91Å; V60-L80 CarbonylContact O-C 3.53Å; V60-L80 WeakPolarHBondContact O-CA 3.48Å; V60-E81 HydrophobicContact CB-CB 3.98Å; V60-E81 HydrophobicContact CB-CG 3.98Å; V60-E81 PolarHBondContact N-O 3.06Å; V60-E81 PolarHBondContact O-N 3.43Å; V60-P84 HydrophobicContact CG2-CB 4.14Å; V60-P84 HydrophobicContact CG2-CG 4.16Å
61	V	95.7	Very high	94.4	Very high	0 Å²	0	65 Å²	65	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	126.9	170.7	178.2	0	0	0	0	108.2	M38 V51 G63 K64 I66 V72 L74 L80	M38-V61 HydrophobicContact CE-CG2 3.62Å; M38-V61 HydrophobicContact SD-CG2 4.22Å; V51-V61 HydrophobicContact CG1-CG2 4.23Å; V51-V61 HydrophobicContact CG2-CG1 4.36Å; V61-G63 PolarHBondContact O-N 3Å; V61-K64 PolarHBondContact N-O 3.35Å; V61-K64 PolarHBondContact O-N 3.27Å; V61-I66 HydrophobicContact CB-CD1 4.18Å; V61-I66 HydrophobicContact CG2-CD1 3.39Å; V61-I66 HydrophobicContact CG2-CG1 4.22Å; V61-V72 HydrophobicContact CB-CG1 4.48Å; V61-V72 HydrophobicContact CG1-CB 4.2Å; V61-V72 HydrophobicContact CG1-CG1 3.85Å; V61-L74 HydrophobicContact CG1-CD2 3.6Å; V61-L80 HydrophobicContact CG1-CG 4.42Å; V61-L80 HydrophobicContact CG2-CD2 4.28Å; V61-L80 HydrophobicContact CG2-CG 4.31Å
62	A	92.8	Very high	94.3	Very high	43 Å²	43	66.8 Å²	66.8	36%	0.355	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.3	40.9	-177.6	0	0	0	0	0	112.6	K64 D78 V79	A62-K64 PolarHBondContact O-N 3.43Å; A62-D78 HydrophobicContact CB-CB 4.23Å; A62-V79 PolarHBondContact N-O 3.02Å
63	G	91.2	Very high	94.2	Very high	71 Å²	71	64.9 Å²	64.9	73%	0.732	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.5	-7.2	-178	0	0	0	0	0	115.6	V61	V61-G63 PolarHBondContact O-N 3Å
64	K	94.3	Very high	94.1	Very high	154 Å²	154	65.2 Å²	65.2	67%	0.67	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.5	134.8	178.9	-62.2	-174.4	-173.7	-175.9	0	111.2	V60 V61 A62	V60-K64 CarbonylContact C-O 3.57Å; V60-K64 VanDerWaalsContact CA-O 3.3Å; V60-K64 WeakPolarHBondContact CA-O 3.35Å; V61-K64 PolarHBondContact N-O 3.35Å; V61-K64 PolarHBondContact O-N 3.27Å; A62-K64 PolarHBondContact O-N 3.43Å
65	L	95.4	Very high	93.9	Very high	87 Å²	87	71.1 Å²	71.1	46%	0.455	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	129.7	175.3	-161.8	74.7	0	0	0	109.4	R58 S59 V60 P84	R58-L65 HydrophobicContact CB-CD1 4.03Å; R58-L65 HydrophobicContact CB-CD2 4.45Å; R58-L65 HydrophobicContact CB-CG 4.1Å; R58-L65 VanDerWaalsContact NH1-CD2 3.32Å; S59-L65 CarbonylContact O-C 3.45Å; S59-L65 WeakPolarHBondContact O-CA 3.17Å; V60-L65 HydrophobicContact CG2-CD1 3.91Å; L65-P84 HydrophobicContact CD1-CG 3.81Å
66	I	95.9	Very high	93.8	Very high	6 Å²	6	74.2 Å²	74.2	3%	0.031	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	148.8	178.8	63.6	170.2	0	0	0	111.1	M38 H53 R58 S59 V61 D70 V72	M38-I66 HydrophobicContact CE-CD1 3.95Å; M38-I66 HydrophobicContact CE-CG1 4.44Å; H53-I66 HydrophobicContact CB-CD1 3.91Å; H53-I66 HydrophobicContact CB-CG1 4.25Å; R58-I66 WeakPolarHBondContact CA-O 3.43Å; S59-I66 PolarHBondContact N-O 3.43Å; S59-I66 PolarHBondContact O-N 3.32Å; V61-I66 HydrophobicContact CB-CD1 4.18Å; V61-I66 HydrophobicContact CG2-CD1 3.39Å; V61-I66 HydrophobicContact CG2-CG1 4.22Å; I66-D70 WeakPolarHBondContact CA-OD2 3.33Å; I66-D70 HydrophobicContact CB-CB 3.98Å; I66-D70 HydrophobicContact CG2-CB 4.35Å; I66-V72 HydrophobicContact CG2-CG2 3.72Å
67	A	95.1	Very high	93.8	Very high	35 Å²	35	65.9 Å²	65.9	29%	0.289	38%	0.377	S	S	.	.			trans	-124.5	172.7	-179.3	0	0	0	0	0	111.4	H53 R58 G69 D70	H53-A67 VanDerWaalsContact CB-O 3.26Å; H53-A67 WeakPolarHBondContact CB-O 3.32Å; R58-A67 HydrophobicContact CG-CB 4.33Å; A67-G69 PolarHBondContact O-N 3.22Å; A67-D70 PolarHBondContact N-OD2 2.99Å; A67-D70 VanDerWaalsContact O-CB 3.3Å; A67-D70 WeakPolarHBondContact O-CB 3.4Å; A67-D70 PolarHBondContact O-N 2.94Å
68	K	94.6	Very high	93.9	Very high	157 Å²	157	63.5 Å²	63.5	68%	0.683	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	122	-174.2	-171.2	-178.5	179.2	-170.4	0	111.3	H53	H53-K68 VanDerWaalsContact ND1-CA 3.28Å; H53-K68 WeakPolarHBondContact ND1-CA 3.44Å; H53-K68 PolarHBondContact ND1-N 2.83Å; H53-K68 VanDerWaalsContact ND1-N 3.19Å
69	G	92.8	Very high	93.9	Very high	52 Å²	52	58.1 Å²	58.1	54%	0.536	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	104.3	-22.7	-177.9	0	0	0	0	0	113.9	H53 A67	H53-G69 PolarHBondContact O-N 3.24Å; A67-G69 PolarHBondContact O-N 3.22Å
70	D	95.4	Very high	93.8	Very high	73 Å²	73	58.1 Å²	58.1	39%	0.39	35%	0.351	S	S	.	.			trans	-64.9	140.7	178.8	-66.8	-19.3	0	0	0	111.3	R52 H53 I66 A67	R52-D70 WeakPolarHBondContact CA-O 3.46Å; H53-D70 PolarHBondContact N-O 2.89Å; I66-D70 WeakPolarHBondContact CA-OD2 3.33Å; I66-D70 HydrophobicContact CB-CB 3.98Å; I66-D70 HydrophobicContact CG2-CB 4.35Å; A67-D70 PolarHBondContact N-OD2 2.99Å; A67-D70 VanDerWaalsContact O-CB 3.3Å; A67-D70 WeakPolarHBondContact O-CB 3.4Å; A67-D70 PolarHBondContact O-N 2.94Å
71	V	93.8	Very high	93.8	Very high	76 Å²	76	58.6 Å²	58.6	46%	0.461	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	127.5	175.2	-177.1	0	0	0	0	109.4	R50 V51 R52	R50-V71 HydrophobicContact CB-CG1 4.05Å; R50-V71 HydrophobicContact CG-CG1 4.45Å; V51-V71 CarbonylContact O-C 3.58Å; V51-V71 VanDerWaalsContact O-CA 3.23Å; V51-V71 WeakPolarHBondContact O-CA 3.44Å; R52-V71 HydrophobicContact CB-CG2 4.2Å; R52-V71 HydrophobicContact CG-CG2 3.98Å
72	V	93.9	Very high	93.6	Very high	37 Å²	37	58.6 Å²	58.6	22%	0.224	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	130.6	-179.8	-178.7	0	0	0	0	109.8	V51 V61 I66	V51-V72 PolarHBondContact N-O 3.25Å; V51-V72 PolarHBondContact O-N 2.64Å; V61-V72 HydrophobicContact CB-CG1 4.48Å; V61-V72 HydrophobicContact CG1-CB 4.2Å; V61-V72 HydrophobicContact CG1-CG1 3.85Å; I66-V72 HydrophobicContact CG2-CG2 3.72Å
73	T	92.9	Very high	93.6	Very high	67 Å²	67	57.1 Å²	57.1	41%	0.411	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	130	172	-57.3	0	0	0	0	110.5	S48 Y49	S48-T73 WeakPolarHBondContact OG-CG2 3.41Å; Y49-T73 WeakPolarHBondContact O-CA 3.49Å
74	L	92.9	Very high	93.7	Very high	9 Å²	9	57 Å²	57	5%	0.047	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	140.7	178.4	-66	173.4	0	0	0	112.1	I40 Y49 V51 V61 D78 L80 F91	I40-L74 HydrophobicContact CG2-CD1 3.74Å; Y49-L74 PolarHBondContact O-N 3.25Å; V51-L74 HydrophobicContact CG2-CD1 3.49Å; V51-L74 VanDerWaalsContact CG2-CD1 3.49Å; V51-L74 HydrophobicContact CG2-CD2 3.55Å; V51-L74 HydrophobicContact CG2-CG 3.45Å; V51-L74 VanDerWaalsContact CG2-CG 3.45Å; V61-L74 HydrophobicContact CG1-CD2 3.6Å; L74-D78 WeakPolarHBondContact CA-OD2 3.18Å; L74-D78 HydrophobicContact CD2-CB 4.01Å; L74-L80 HydrophobicContact CD1-CD1 4.37Å; L74-L80 HydrophobicContact CD1-CD2 4.28Å; L74-L80 HydrophobicContact CD2-CD1 4.07Å; L74-L80 HydrophobicContact CD2-CD2 4.13Å; L74-L80 HydrophobicContact CD2-CG 4.08Å; L74-F91 HydrophobicContact CB-CD1 3.74Å; L74-F91 HydrophobicContact CB-CE1 4.02Å; L74-F91 HydrophobicContact CB-CG 4.1Å; L74-F91 HydrophobicContact CD1-CB 4.15Å; L74-F91 HydrophobicContact CD1-CD1 4.32Å; L74-F91 HydrophobicContact CD1-CD2 3.85Å; L74-F91 HydrophobicContact CD1-CE2 4.38Å; L74-F91 HydrophobicContact CD1-CG 3.84Å
75	K	90.8	Very high	93.4	Very high	157 Å²	157	52.1 Å²	52.1	68%	0.683	32%	0.318	S	S	*	.			trans	-110.4	147.6	165.2	-62.2	-177.6	-178.6	-178.4	0	109.8	G77 D78 F91	K75-G77 PolarHBondContact O-N 3.07Å; K75-D78 PolarHBondContact N-OD2 3.38Å; K75-D78 WeakPolarHBondContact O-CB 3.23Å; K75-D78 PolarHBondContact O-N 3.01Å; K75-F91 WeakPolarHBondContact O-CD1 3.4Å
76	S	90.3	Very high	93.1	Very high	68 Å²	68	54.2 Å²	54.2	48%	0.476	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	127.4	175.8	-162.2	0	0	0	0	110	Q93	S76-Q93 PolarHBondContact OG-N 2.88Å; S76-Q93 VanDerWaalsContact OG-N 3.07Å
77	G	91.3	Very high	92.6	Very high	41 Å²	41	55.7 Å²	55.7	42%	0.423	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	103.6	-20.8	-171.8	0	0	0	0	0	114.2	K75 V79 F91	K75-G77 PolarHBondContact O-N 3.07Å; G77-V79 PolarHBondContact O-N 2.98Å; G77-F91 PolarHBondContact N-O 3.24Å
78	D	95.4	Very high	92.5	Very high	32 Å²	32	57.2 Å²	57.2	17%	0.171	33%	0.33	C	S	.	.			trans	-59.3	138.9	-179.6	-75.9	-9.5	0	0	0	111.7	A62 L74 K75 R90 F91	A62-D78 HydrophobicContact CB-CB 4.23Å; L74-D78 WeakPolarHBondContact CA-OD2 3.18Å; L74-D78 HydrophobicContact CD2-CB 4.01Å; K75-D78 PolarHBondContact N-OD2 3.38Å; K75-D78 WeakPolarHBondContact O-CB 3.23Å; K75-D78 PolarHBondContact O-N 3.01Å; D78-R90 WeakPolarHBondContact O-CA 3.35Å; D78-F91 PolarHBondContact O-N 3.37Å
79	V	94.9	Very high	92.4	Very high	38 Å²	38	50.1 Å²	50.1	23%	0.23	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	129.7	176.9	180	0	0	0	0	109.6	L5 A62 G77 E81 K88 F89	L5-V79 HydrophobicContact CD1-CG1 4Å; L5-V79 HydrophobicContact CD1-CG2 4.17Å; A62-V79 PolarHBondContact N-O 3.02Å; G77-V79 PolarHBondContact O-N 2.98Å; V79-E81 HydrophobicContact CG1-CG 4.25Å; V79-K88 HydrophobicContact CG1-CB 4.02Å; V79-K88 HydrophobicContact CG1-CD 4.41Å; V79-F89 CarbonylContact C-O 3.6Å; V79-F89 WeakPolarHBondContact CA-O 3.46Å
80	L	95.2	Very high	92.4	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	126.9	172.9	-53.5	90.8	0	0	0	109.2	L2 M38 I40 V51 V60 V61 L74 K88 F89 F91	L2-L80 HydrophobicContact CD2-CD1 3.7Å; M38-L80 HydrophobicContact SD-CB 4.36Å; M38-L80 HydrophobicContact SD-CD2 4Å; I40-L80 HydrophobicContact CD1-CD2 3.46Å; I40-L80 VanDerWaalsContact CD1-CD2 3.46Å; I40-L80 HydrophobicContact CG1-CD2 4.35Å; V51-L80 HydrophobicContact CG1-CD2 4.21Å; V51-L80 HydrophobicContact CG2-CD2 3.52Å; V60-L80 CarbonylContact O-C 3.53Å; V60-L80 WeakPolarHBondContact O-CA 3.48Å; V61-L80 HydrophobicContact CG1-CG 4.42Å; V61-L80 HydrophobicContact CG2-CD2 4.28Å; V61-L80 HydrophobicContact CG2-CG 4.31Å; L74-L80 HydrophobicContact CD1-CD1 4.37Å; L74-L80 HydrophobicContact CD1-CD2 4.28Å; L74-L80 HydrophobicContact CD2-CD1 4.07Å; L74-L80 HydrophobicContact CD2-CD2 4.13Å; L74-L80 HydrophobicContact CD2-CG 4.08Å; L80-K88 CarbonylContact O-C 3.52Å; L80-K88 VanDerWaalsContact O-CA 3.25Å; L80-K88 WeakPolarHBondContact O-CA 3.4Å; L80-F89 PolarHBondContact N-O 3.44Å; L80-F89 PolarHBondContact O-N 3.42Å; L80-F91 HydrophobicContact CD1-CB 4.01Å
81	E	94.9	Very high	92.3	Very high	27 Å²	27	49.1 Å²	49.1	13%	0.126	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	114.2	174.2	-40.8	-170	165.6	0	0	108.1	S59 V60 V79 L83 G85 K88	S59-E81 VanDerWaalsContact CB-O 3.27Å; S59-E81 WeakPolarHBondContact CB-O 3.45Å; V60-E81 HydrophobicContact CB-CB 3.98Å; V60-E81 HydrophobicContact CB-CG 3.98Å; V60-E81 PolarHBondContact N-O 3.06Å; V60-E81 PolarHBondContact O-N 3.43Å; V79-E81 HydrophobicContact CG1-CG 4.25Å; E81-L83 WeakPolarHBondContact CB-O 3.49Å; E81-L83 PolarHBondContact O-N 3.17Å; E81-G85 WeakPolarHBondContact OE2-CA 3.47Å; E81-G85 PolarHBondContact OE2-N 3.4Å; E81-K88 HydrophobicContact CB-CG 4.42Å; E81-K88 HydrophobicContact CG-CB 4.46Å; E81-K88 HydrophobicContact CG-CD 4.17Å; E81-K88 HydrophobicContact CG-CG 3.89Å; E81-K88 WeakPolarHBondContact OE1-CD 3.36Å; E81-K88 WeakPolarHBondContact OE1-CE 3.49Å; E81-K88 IonicContact OE1-NZ 3.85Å; E81-K88 PolarHBondContact OE1-NZ 3.04Å; E81-K88 IonicContact OE2-NZ 2.62Å
82	L	92.7	Very high	92.1	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	-23.2	-176.9	-69.4	174.4	0	0	0	113	L20 T26 M28 Q37 M38 S59 R86 C87 F89	L20-L82 HydrophobicContact CB-CD1 3.98Å; L20-L82 HydrophobicContact CB-CD2 3.47Å; L20-L82 VanDerWaalsContact CB-CD2 3.47Å; L20-L82 HydrophobicContact CB-CG 4.34Å; L20-L82 HydrophobicContact CD1-CD2 4.03Å; L20-L82 HydrophobicContact CG-CD2 4.44Å; T26-L82 HydrophobicContact CG2-CD1 4.03Å; M28-L82 HydrophobicContact CE-CB 3.55Å; M28-L82 HydrophobicContact CE-CD1 3.15Å; M28-L82 HydrophobicContact CE-CG 3.97Å; Q37-L82 HydrophobicContact CB-CD2 4.16Å; Q37-L82 HydrophobicContact CG-CB 4.25Å; Q37-L82 HydrophobicContact CG-CD2 4.11Å; Q37-L82 VanDerWaalsContact CG-O 3.28Å; Q37-L82 WeakPolarHBondContact CG-O 3.31Å; Q37-L82 PolarHBondContact NE2-O 3.02Å; M38-L82 HydrophobicContact CB-CD2 4.15Å; M38-L82 HydrophobicContact CG-CD2 3.98Å; M38-L82 HydrophobicContact SD-CD2 3.78Å; S59-L82 PolarHBondContact OG-O 3.37Å; L82-R86 PolarHBondContact N-O 3.4Å; L82-C87 HydrophobicContact CB-CB 4.23Å; L82-C87 HydrophobicContact CD1-CB 4.37Å; L82-C87 PolarHBondContact N-O 2.81Å; L82-F89 HydrophobicContact CD1-CD2 4.35Å; L82-F89 HydrophobicContact CD1-CE2 3.62Å; L82-F89 HydrophobicContact CD1-CZ 4.48Å; L82-F89 HydrophobicContact CG-CD2 4.46Å; L82-F89 HydrophobicContact CG-CE2 4.17Å
83	L	92.3	Very high	91.3	Very high	12 Å²	12	50.7 Å²	50.7	6%	0.063	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	145.9	163.8	-66.8	172.4	0	0	0	106.6	H30 C33 H57 E81 G85 R86	H30-L83 HydrophobicContact CB-CD1 4.38Å; C33-L83 HydrophobicContact CB-CD1 3.94Å; C33-L83 HydrophobicContact CB-CG 4.18Å; H57-L83 HydrophobicContact CB-CD2 3.84Å; E81-L83 WeakPolarHBondContact CB-O 3.49Å; E81-L83 PolarHBondContact O-N 3.17Å; L83-G85 PolarHBondContact O-N 2.92Å; L83-G85 VanDerWaalsContact O-N 3.15Å; L83-R86 HydrophobicContact CB-CB 4.31Å; L83-R86 PolarHBondContact O-N 3.31Å
84	P	92.1	Very high	90.1	Very high	70 Å²	70	51 Å²	51	46%	0.455	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	123.9	178.2	-27.5	34.8	0	0	0	111.7	R58 V60 L65 R86	R58-P84 VanDerWaalsContact O-CD 3.3Å; R58-P84 WeakPolarHBondContact O-CD 3.38Å; V60-P84 HydrophobicContact CG2-CB 4.14Å; V60-P84 HydrophobicContact CG2-CG 4.16Å; L65-P84 HydrophobicContact CD1-CG 3.81Å; P84-R86 VanDerWaalsContact C-N 3.33Å; P84-R86 PolarHBondContact O-N 3.14Å
85	G	88.9	Confident	88.1	Confident	51 Å²	51	60.5 Å²	60.5	53%	0.526	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.6	-0.4	-178.4	0	0	0	0	0	115.8	E81 L83	E81-G85 WeakPolarHBondContact OE2-CA 3.47Å; E81-G85 PolarHBondContact OE2-N 3.4Å; L83-G85 PolarHBondContact O-N 2.92Å; L83-G85 VanDerWaalsContact O-N 3.15Å
86	R	88.3	Confident	85.9	Confident	131 Å²	131	60.4 Å²	60.4	49%	0.494	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	150.2	-171.9	-57.8	-176.6	-177.4	-171.8	0	113.2	H30 L82 L83 P84	H30-R86 PolarHBondContact CD2-NH1 2.79Å; H30-R86 PolarHBondContact NE2-NH1 3.24Å; L82-R86 PolarHBondContact N-O 3.4Å; L83-R86 HydrophobicContact CB-CB 4.31Å; L83-R86 PolarHBondContact O-N 3.31Å; P84-R86 VanDerWaalsContact C-N 3.33Å; P84-R86 PolarHBondContact O-N 3.14Å
87	C	86	Confident	83.2	Confident	36 Å²	36	61.7 Å²	61.7	24%	0.243	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	53.7	61.7	174.3	-66.5	0	0	0	0	112.2	H6 M28 L82 F89	H6-C87 VanDerWaalsContact CD2-CA 3.49Å; H6-C87 WeakPolarHBondContact CD2-CA 3.49Å; H6-C87 WeakPolarHBondContact NE2-CA 3.35Å; H6-C87 PolarHBondContact NE2-N 3.01Å; M28-C87 HydrophobicContact CE-CB 3.51Å; M28-C87 VanDerWaalsContact CE-SG 3.55Å; M28-C87 HydrophobicContact SD-CB 4.37Å; L82-C87 HydrophobicContact CB-CB 4.23Å; L82-C87 HydrophobicContact CD1-CB 4.37Å; L82-C87 PolarHBondContact N-O 2.81Å; C87-F89 HydrophobicContact CB-CE2 4.48Å; C87-F89 WeakPolarHBondContact O-CD2 3.42Å; C87-F89 WeakPolarHBondContact O-CE2 3.42Å
88	K	92.5	Very high	80.3	Confident	67 Å²	67	64.4 Å²	64.4	29%	0.291	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	135.5	-177.8	-46.6	-167.2	-176.6	-151.8	0	111.6	L5 H6 V79 L80 E81	L5-K88 HydrophobicContact CB-CB 4.04Å; L5-K88 WeakPolarHBondContact CB-O 3.27Å; L5-K88 HydrophobicContact CD1-CB 3.89Å; L5-K88 HydrophobicContact CG-CB 4.38Å; L5-K88 PolarHBondContact N-O 3.49Å; H6-K88 PolarHBondContact CD2-N 2.97Å; H6-K88 PolarHBondContact NE2-N 3.34Å; V79-K88 HydrophobicContact CG1-CB 4.02Å; V79-K88 HydrophobicContact CG1-CD 4.41Å; L80-K88 CarbonylContact O-C 3.52Å; L80-K88 VanDerWaalsContact O-CA 3.25Å; L80-K88 WeakPolarHBondContact O-CA 3.4Å; E81-K88 HydrophobicContact CB-CG 4.42Å; E81-K88 HydrophobicContact CG-CB 4.46Å; E81-K88 HydrophobicContact CG-CD 4.17Å; E81-K88 HydrophobicContact CG-CG 3.89Å; E81-K88 WeakPolarHBondContact OE1-CD 3.36Å; E81-K88 WeakPolarHBondContact OE1-CE 3.49Å; E81-K88 IonicContact OE1-NZ 3.85Å; E81-K88 PolarHBondContact OE1-NZ 3.04Å; E81-K88 IonicContact OE2-NZ 2.62Å
89	F	92.8	Very high	77.1	Confident	8 Å²	8	68.4 Å²	68.4	4%	0.035	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	132.9	173.1	-63.9	-91	0	0	0	109	L2 R3 L12 L20 T26 V79 L80 L82 C87	L2-F89 HydrophobicContact CB-CB 4.35Å; L2-F89 HydrophobicContact CB-CD1 4.38Å; L2-F89 HydrophobicContact CD2-CB 4.38Å; R3-F89 CarbonylContact O-C 3.57Å; R3-F89 VanDerWaalsContact O-CA 3.26Å; R3-F89 WeakPolarHBondContact O-CA 3.46Å; L12-F89 HydrophobicContact CD1-CD1 4.17Å; L12-F89 HydrophobicContact CD1-CE1 3.67Å; L12-F89 HydrophobicContact CD1-CZ 4.42Å; L20-F89 HydrophobicContact CD1-CD2 4.45Å; T26-F89 HydrophobicContact CG2-CZ 4.14Å; V79-F89 CarbonylContact C-O 3.6Å; V79-F89 WeakPolarHBondContact CA-O 3.46Å; L80-F89 PolarHBondContact N-O 3.44Å; L80-F89 PolarHBondContact O-N 3.42Å; L82-F89 HydrophobicContact CD1-CD2 4.35Å; L82-F89 HydrophobicContact CD1-CE2 3.62Å; L82-F89 HydrophobicContact CD1-CZ 4.48Å; L82-F89 HydrophobicContact CG-CD2 4.46Å; L82-F89 HydrophobicContact CG-CE2 4.17Å; C87-F89 HydrophobicContact CB-CE2 4.48Å; C87-F89 WeakPolarHBondContact O-CD2 3.42Å; C87-F89 WeakPolarHBondContact O-CE2 3.42Å
90	R	93.5	Very high	74	Confident	104 Å²	104	74.7 Å²	74.7	39%	0.392	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	127.1	169.6	-176.2	178.9	-66.9	160.7	-0.7	109.2	L2 R3 L5 D78 E92	L2-R90 CarbonylContact C-O 3.55Å; L2-R90 WeakPolarHBondContact CA-O 3.41Å; R3-R90 PolarHBondContact N-O 3.19Å; R3-R90 PolarHBondContact O-N 3.28Å; L5-R90 HydrophobicContact CD1-CB 4.33Å; L5-R90 HydrophobicContact CD2-CB 4.02Å; L5-R90 HydrophobicContact CG-CB 4.28Å; D78-R90 WeakPolarHBondContact O-CA 3.35Å; R90-E92 HydrophobicContact CG-CG 4.25Å
91	F	93.6	Very high	71	Confident	1 Å²	1	82.8 Å²	82.8	0%	0.004	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	121.7	169.9	178.1	-108.2	0	0	0	109.5	L2 I14 Y49 L74 K75 G77 D78 L80 Q93	L2-F91 HydrophobicContact CD2-CB 4.12Å; L2-F91 HydrophobicContact CD2-CD2 4.08Å; I14-F91 HydrophobicContact CD1-CD2 4.05Å; I14-F91 HydrophobicContact CD1-CE2 3.8Å; Y49-F91 HydrophobicContact CD1-CE2 4.33Å; Y49-F91 HydrophobicContact CD2-CE1 4.32Å; Y49-F91 AromaticContact CD2-CE2 3.9Å; Y49-F91 HydrophobicContact CD2-CE2 3.9Å; Y49-F91 AromaticContact CD2-CZ 3.32Å; Y49-F91 HydrophobicContact CD2-CZ 3.32Å; Y49-F91 HydrophobicContact CE2-CE2 4.3Å; Y49-F91 AromaticContact CE2-CZ 3.86Å; Y49-F91 HydrophobicContact CE2-CZ 3.86Å; Y49-F91 AromaticContact CG-CE2 3.87Å; Y49-F91 HydrophobicContact CG-CE2 3.87Å; Y49-F91 AromaticContact CG-CZ 3.68Å; Y49-F91 HydrophobicContact CG-CZ 3.68Å; L74-F91 HydrophobicContact CB-CD1 3.74Å; L74-F91 HydrophobicContact CB-CE1 4.02Å; L74-F91 HydrophobicContact CB-CG 4.1Å; L74-F91 HydrophobicContact CD1-CB 4.15Å; L74-F91 HydrophobicContact CD1-CD1 4.32Å; L74-F91 HydrophobicContact CD1-CD2 3.85Å; L74-F91 HydrophobicContact CD1-CE2 4.38Å; L74-F91 HydrophobicContact CD1-CG 3.84Å; K75-F91 WeakPolarHBondContact O-CD1 3.4Å; G77-F91 PolarHBondContact N-O 3.24Å; D78-F91 PolarHBondContact O-N 3.37Å; L80-F91 HydrophobicContact CD1-CB 4.01Å; F91-Q93 HydrophobicContact CE1-CB 4.11Å; F91-Q93 HydrophobicContact CZ-CB 4.22Å
92	E	88.4	Confident	68.1	Low	46 Å²	46	85.5 Å²	85.5	22%	0.215	45%	0.45	C	S	.	.			trans	-118.9	110.8	175	-70.6	175.3	-173.6	0	0	107.2	M1 R3 R90 A94	M1-E92 WeakPolarHBondContact CE-OE2 3.46Å; M1-E92 HydrophobicContact CG-CB 4.1Å; M1-E92 WeakPolarHBondContact CG-O 3.33Å; M1-E92 PolarHBondContact N-O 2.81Å; M1-E92 PolarHBondContact O-N 2.87Å; R3-E92 WeakPolarHBondContact CD-OE1 3.32Å; R3-E92 IonicContact CZ-OE1 2.63Å; R3-E92 IonicContact CZ-OE2 2.69Å; R3-E92 VanDerWaalsContact NE-CD 3.3Å; R3-E92 IonicContact NE-OE1 3.89Å; R3-E92 PolarHBondContact NE-OE1 3.44Å; R3-E92 IonicContact NE-OE2 3.33Å; R3-E92 PolarHBondContact NE-OE2 3.2Å; R3-E92 IonicContact NH2-OE2 2.72Å; R3-E92 PolarHBondContact NH2-OE2 2.94Å; R90-E92 HydrophobicContact CG-CG 4.25Å; E92-A94 PolarHBondContact O-N 2.86Å
93	Q	78.3	Confident	65.6	Low	99 Å²	99	87.2 Å²	87.2	46%	0.463	46%	0.462	S	S	.	.			trans	-72.5	121.2	169.6	-162.9	171.4	21	0	0	107	S76 F91 K95	S76-Q93 PolarHBondContact OG-N 2.88Å; S76-Q93 VanDerWaalsContact OG-N 3.07Å; F91-Q93 HydrophobicContact CE1-CB 4.11Å; F91-Q93 HydrophobicContact CZ-CB 4.22Å; Q93-K95 PolarHBondContact O-N 3.4Å
94	A	66.4	Low	63.1	Low	73 Å²	73	90.6 Å²	90.6	60%	0.603	48%	0.48	S	S	*	.			trans	-58.8	128.2	176.1	0	0	0	0	0	107.8	E92 R96	E92-A94 PolarHBondContact O-N 2.86Å; A94-R96 VanDerWaalsContact C-N 3.34Å; A94-R96 PolarHBondContact O-N 2.84Å
95	K	52.3	Low	60.6	Low	209 Å²	209	92.7 Å²	92.7	91%	0.909	49%	0.488	S	S	*	.			trans	-56.4	104.6	168	-74.1	-174.6	178	-177.6	0	105.8	Q93 A97	Q93-K95 PolarHBondContact O-N 3.4Å; K95-A97 PolarHBondContact O-N 2.79Å
96	R	43.9	Very low	58.2	Low	155 Å²	155	95.8 Å²	95.8	59%	0.585	49%	0.487	S	S	*	.			trans	-54.7	113	167	-91.3	177.4	158.7	161.8	-4.9	105	A94 A98 R99	A94-R96 VanDerWaalsContact C-N 3.34Å; A94-R96 PolarHBondContact O-N 2.84Å; R96-A98 PolarHBondContact O-N 2.92Å; R96-R99 VanDerWaalsContact NH1-NH2 3.17Å
97	A	33.3	Very low	56	Low	96 Å²	96	96.8 Å²	96.8	79%	0.793	50%	0.495	S	S	*	.	S	Bend	trans	-45.6	130.6	160.9	0	0	0	0	0	106.1	K95 R99	K95-A97 PolarHBondContact O-N 2.79Å; A97-R99 PolarHBondContact O-N 3.16Å; A97-R99 VanDerWaalsContact O-N 3.07Å
98	A	29.9	Very low	53.6	Low	97 Å²	97	100.1 Å²	100.1	80%	0.802	51%	0.514	S	S	*	.	S	Bend	trans	-21.2	110	-167.9	0	0	0	0	0	111.3	R96 M100	R96-A98 PolarHBondContact O-N 2.92Å; A98-M100 VanDerWaalsContact C-N 3.28Å; A98-M100 PolarHBondContact O-N 2.8Å
99	R	29.7	Very low	51.1	Low	117 Å²	117	101.2 Å²	101.2	44%	0.442	53%	0.531	S	S	.	.			trans	-46	101.4	169.1	-126.1	176.2	173.1	159	1.7	104.7	D47 R96 A97 Q101	D47-R99 IonicContact OD1-NH2 2.86Å; D47-R99 IonicContact OD2-CZ 2.72Å; D47-R99 IonicContact OD2-NH1 3.82Å; D47-R99 IonicContact OD2-NH2 2.96Å; D47-R99 PolarHBondContact OD2-NH2 2.56Å; R96-R99 VanDerWaalsContact NH1-NH2 3.17Å; A97-R99 PolarHBondContact O-N 3.16Å; A97-R99 VanDerWaalsContact O-N 3.07Å; R99-Q101 PolarHBondContact O-N 2.79Å; R99-Q101 VanDerWaalsContact O-N 3.09Å
100	M	30.2	Very low	48.5	Very low	170 Å²	170	105.2 Å²	105.2	84%	0.837	56%	0.557	S	S	*	*			trans	-51.3	120.1	143.8	-85.5	-173.8	88	0	0	102.3	A98 T102	A98-M100 VanDerWaalsContact C-N 3.28Å; A98-M100 PolarHBondContact O-N 2.8Å; M100-T102 PolarHBondContact O-N 3.02Å
101	Q	30.5	Very low	46	Very low	170 Å²	170	106 Å²	106	79%	0.794	57%	0.569	S	S	*	*	S	Bend	trans	-46.9	84.9	-177.5	-76.9	163.3	-33.1	0	0	110.6	R99	R99-Q101 PolarHBondContact O-N 2.79Å; R99-Q101 VanDerWaalsContact O-N 3.09Å
102	T	35.7	Very low	43.8	Very low	83 Å²	83	110 Å²	110	51%	0.509	59%	0.594	S	S	.	*			trans	-100.6	70.3	147.7	50	0	0	0	0	103.1	M100	M100-T102 PolarHBondContact O-N 3.02Å
103	S	38.3	Very low	42	Very low	36 Å²	36	112.8 Å²	112.8	25%	0.252	61%	0.61	S	S	.	*			trans	-54.5	141.4	159	48.7	0	0	0	0	106.3	D105 F106	S103-D105 PolarHBondContact O-N 3.3Å; S103-D105 VanDerWaalsContact O-N 3.14Å; S103-F106 WeakPolarHBondContact O-CA 3.44Å; S103-F106 WeakPolarHBondContact O-CB 3.2Å; S103-F106 PolarHBondContact O-N 2.7Å; S103-F106 PolarHBondContact OG-N 2.84Å
104	L	40.7	Very low	40.7	Very low	83 Å²	83	113.8 Å²	113.8	44%	0.435	62%	0.618	S	S	.	*	G	3₁₀ helix	trans	-56.8	-19.8	161.9	-148.3	64.7	0	0	0	109.5	F106 F107	L104-F106 VanDerWaalsContact C-N 3.28Å; L104-F106 PolarHBondContact O-N 2.89Å; L104-F107 HydrophobicContact CD1-CD2 4.31Å; L104-F107 WeakPolarHBondContact O-CB 3.03Å; L104-F107 PolarHBondContact O-N 2.85Å; L104-F107 VanDerWaalsContact O-N 3.14Å
105	D	39.2	Very low	40.5	Very low	115 Å²	115	111.6 Å²	111.6	62%	0.615	60%	0.596	S	S	*	*	G	3₁₀ helix	trans	-64.7	-21.1	166.7	-43.1	-40	0	0	0	114.4	S103 F107 T108 S109	S103-D105 PolarHBondContact O-N 3.3Å; S103-D105 VanDerWaalsContact O-N 3.14Å; D105-F107 VanDerWaalsContact C-N 3.32Å; D105-T108 VanDerWaalsContact CA-OG1 3.32Å; D105-T108 WeakPolarHBondContact CA-OG1 3.44Å; D105-T108 PolarHBondContact O-N 3.15Å; D105-T108 PolarHBondContact O-OG1 3.14Å; D105-S109 PolarHBondContact O-N 3.29Å
106	F	39.1	Very low	41.1	Very low	115 Å²	115	108.5 Å²	108.5	50%	0.504	58%	0.583	S	S	.	*	G	3₁₀ helix	trans	-76.5	-20.4	172.9	-154.4	-89.2	0	0	0	112	S103 L104 T108	S103-F106 WeakPolarHBondContact O-CA 3.44Å; S103-F106 WeakPolarHBondContact O-CB 3.2Å; S103-F106 PolarHBondContact O-N 2.7Å; S103-F106 PolarHBondContact OG-N 2.84Å; L104-F106 VanDerWaalsContact C-N 3.28Å; L104-F106 PolarHBondContact O-N 2.89Å; F106-T108 VanDerWaalsContact C-N 3.34Å
107	F	41.1	Very low	42.9	Very low	153 Å²	153	105 Å²	105	67%	0.671	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	-11.1	170.4	-73.1	-83.3	0	0	0	112.6	L104 D105	L104-F107 HydrophobicContact CD1-CD2 4.31Å; L104-F107 WeakPolarHBondContact O-CB 3.03Å; L104-F107 PolarHBondContact O-N 2.85Å; L104-F107 VanDerWaalsContact O-N 3.14Å; D105-F107 VanDerWaalsContact C-N 3.32Å
108	T	37.4	Very low	45.7	Very low	105 Å²	105	104.2 Å²	104.2	64%	0.644	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.2	0.2	-179.8	56.1	0	0	0	0	114.1	D105 F106 P110	D105-T108 VanDerWaalsContact CA-OG1 3.32Å; D105-T108 WeakPolarHBondContact CA-OG1 3.44Å; D105-T108 PolarHBondContact O-N 3.15Å; D105-T108 PolarHBondContact O-OG1 3.14Å; F106-T108 VanDerWaalsContact C-N 3.34Å; T108-P110 WeakPolarHBondContact O-CD 3.38Å
109	S	38.3	Very low	48.8	Very low	91 Å²	91	106 Å²	106	64%	0.636	54%	0.541	S	S	*	.	S	Bend	trans	-93.1	107.9	165.9	-108.3	0	0	0	0	109.3	D105 N111	D105-S109 PolarHBondContact O-N 3.29Å; S109-N111 PolarHBondContact O-N 3.29Å
110	P	39	Very low	51.9	Low	91 Å²	91	103.2 Å²	103.2	59%	0.591	53%	0.531	S	S	*	.			trans	-73.4	99.9	173.6	6.5	11.1	0	0	0	106.8	T108 T112	T108-P110 WeakPolarHBondContact O-CD 3.38Å; P110-T112 HydrophobicContact CB-CG2 3.51Å; P110-T112 WeakPolarHBondContact CB-OG1 3.38Å; P110-T112 PolarHBondContact O-N 3.32Å
111	N	40.7	Very low	55.1	Low	120 Å²	120	97.4 Å²	97.4	64%	0.642	51%	0.505	S	S	*	.			trans	-86.3	47.8	140.6	-138.6	-2	0	0	0	107.8	S109 D113 L114	S109-N111 PolarHBondContact O-N 3.29Å; N111-D113 PolarHBondContact O-N 2.56Å; N111-D113 VanDerWaalsContact O-N 3.16Å; N111-L114 PolarHBondContact O-N 3.06Å
112	T	46.8	Very low	58.2	Low	86 Å²	86	94.9 Å²	94.9	53%	0.528	49%	0.491	S	S	.	.	G	3₁₀ helix	trans	-65.8	-10	-178.5	40.2	0	0	0	0	112.3	P110 L115 K116	P110-T112 HydrophobicContact CB-CG2 3.51Å; P110-T112 WeakPolarHBondContact CB-OG1 3.38Å; P110-T112 PolarHBondContact O-N 3.32Å; T112-L115 PolarHBondContact O-N 3.09Å; T112-K116 WeakPolarHBondContact O-CG 3.41Å
113	D	51.6	Low	60.9	Low	105 Å²	105	93.1 Å²	93.1	56%	0.561	48%	0.483	S	S	*	.	G	3₁₀ helix	trans	-66.7	-34.9	177.2	-87.2	-1	0	0	0	113.4	N111 L115 K116	N111-D113 PolarHBondContact O-N 2.56Å; N111-D113 VanDerWaalsContact O-N 3.16Å; D113-L115 PolarHBondContact O-N 3.38Å; D113-K116 WeakPolarHBondContact OD1-CE 3.2Å; D113-K116 IonicContact OD1-NZ 3.34Å; D113-K116 PolarHBondContact OD1-NZ 3.01Å
114	L	51.6	Low	63.5	Low	120 Å²	120	96.5 Å²	96.5	63%	0.628	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-75	-7.8	-178	-74	166	0	0	0	114.2	N111	N111-L114 PolarHBondContact O-N 3.06Å
115	L	61.9	Low	66	Low	26 Å²	26	92.6 Å²	92.6	14%	0.136	48%	0.484	C	S	.	.	G	3₁₀ helix	trans	-122.8	15.1	-174.8	-61.4	173.5	0	0	0	113	T112 D113 N117 V131	T112-L115 PolarHBondContact O-N 3.09Å; D113-L115 PolarHBondContact O-N 3.38Å; L115-N117 PolarHBondContact O-N 3.21Å; L115-V131 HydrophobicContact CD2-CG1 3.62Å
116	K	64.5	Low	68.7	Low	145 Å²	145	87.2 Å²	87.2	63%	0.63	46%	0.455	S	S	*	.			trans	-62	-13.9	-174.6	-80.4	-178.1	165.3	170.7	0	114.8	T112 D113	T112-K116 WeakPolarHBondContact O-CG 3.41Å; D113-K116 WeakPolarHBondContact OD1-CE 3.2Å; D113-K116 IonicContact OD1-NZ 3.34Å; D113-K116 PolarHBondContact OD1-NZ 3.01Å
117	N	81.6	Confident	71.5	Confident	81 Å²	81	82 Å²	82	43%	0.433	43%	0.432	S	S	.	.			trans	-117.7	87.9	-175.7	-64.2	-24.4	0	0	0	111.2	L115 G132 D133	L115-N117 PolarHBondContact O-N 3.21Å; N117-G132 PolarHBondContact O-N 3.11Å; N117-D133 PolarHBondContact ND2-OD1 3.46Å; N117-D133 PolarHBondContact ND2-OD2 2.93Å
118	R	91.8	Very high	74.2	Confident	80 Å²	80	74.9 Å²	74.9	30%	0.302	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	126.6	169.9	-64.1	-172.3	-167.1	-170.4	2.2	109.9	F129 T130 E210 N214	R118-F129 HydrophobicContact CB-CE2 4.13Å; R118-T130 WeakPolarHBondContact CA-O 3.41Å; R118-E210 WeakPolarHBondContact CD-OE2 3.27Å; R118-E210 IonicContact CZ-OE2 3.81Å; R118-E210 IonicContact NE-OE2 2.59Å; R118-E210 IonicContact NH1-OE2 2.92Å; R118-E210 PolarHBondContact NH1-OE2 2.73Å; R118-N214 VanDerWaalsContact CZ-OD1 3.24Å; R118-N214 PolarHBondContact NH1-OD1 3.36Å; R118-N214 PolarHBondContact NH2-OD1 3.42Å
119	K	94.4	Very high	77.1	Confident	133 Å²	133	69.9 Å²	69.9	58%	0.578	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.5	130.1	-175.3	-174.2	-180	178.3	-177.7	0	110.9	V121 F129 T130	K119-V121 HydrophobicContact CD-CG2 4.26Å; K119-V121 HydrophobicContact CG-CG2 4.24Å; K119-F129 WeakPolarHBondContact O-CA 3.37Å; K119-T130 PolarHBondContact N-O 2.93Å; K119-T130 PolarHBondContact O-N 2.83Å
120	W	96.2	Very high	79.9	Confident	60 Å²	60	66.5 Å²	66.5	23%	0.227	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	131.3	167.5	-74	94.4	0	0	0	109.9	L127 V128 F129 Q206 L209 E210	W120-L127 HydrophobicContact CZ3-CB 4.37Å; W120-V128 CarbonylContact C-O 3.56Å; W120-V128 WeakPolarHBondContact CA-O 3.44Å; W120-F129 AromaticContact CD1-CD2 3.8Å; W120-F129 AromaticContact CD1-CE2 3.99Å; W120-F129 HydrophobicContact CD2-CB 4.02Å; W120-F129 AromaticContact CD2-CD2 3.66Å; W120-F129 HydrophobicContact CD2-CD2 3.66Å; W120-F129 HydrophobicContact CD2-CE2 4.46Å; W120-F129 HydrophobicContact CD2-CG 4.11Å; W120-F129 AromaticContact CE2-CD2 3.21Å; W120-F129 AromaticContact CE2-CE2 3.68Å; W120-F129 AromaticContact CE2-CG 3.66Å; W120-F129 HydrophobicContact CE3-CB 3.79Å; W120-F129 HydrophobicContact CE3-CD2 4.33Å; W120-F129 HydrophobicContact CE3-CG 4.36Å; W120-F129 HydrophobicContact CG-CD2 4.04Å; W120-F129 HydrophobicContact CH2-CB 3.62Å; W120-F129 HydrophobicContact CH2-CD1 4.3Å; W120-F129 HydrophobicContact CH2-CD2 4.26Å; W120-F129 AromaticContact CH2-CG 3.83Å; W120-F129 HydrophobicContact CH2-CG 3.83Å; W120-F129 HydrophobicContact CZ2-CB 3.82Å; W120-F129 AromaticContact CZ2-CD1 3.96Å; W120-F129 HydrophobicContact CZ2-CD1 3.96Å; W120-F129 AromaticContact CZ2-CD2 3.55Å; W120-F129 HydrophobicContact CZ2-CD2 3.55Å; W120-F129 HydrophobicContact CZ2-CE1 4.37Å; W120-F129 HydrophobicContact CZ2-CE2 4.02Å; W120-F129 AromaticContact CZ2-CG 3.51Å; W120-F129 HydrophobicContact CZ2-CG 3.51Å; W120-F129 HydrophobicContact CZ2-CZ 4.4Å; W120-F129 HydrophobicContact CZ3-CB 3.61Å; W120-F129 HydrophobicContact CZ3-CG 4.25Å; W120-F129 AromaticContact NE1-CD2 3.28Å; W120-F129 VanDerWaalsContact NE1-CD2 3.28Å; W120-F129 AromaticContact NE1-CE2 3.32Å; W120-F129 VanDerWaalsContact NE1-CE2 3.32Å; W120-Q206 HydrophobicContact CD2-CG 4.28Å; W120-Q206 HydrophobicContact CE3-CG 4.14Å; W120-Q206 HydrophobicContact CH2-CB 3.85Å; W120-Q206 HydrophobicContact CH2-CG 3.58Å; W120-Q206 HydrophobicContact CZ2-CB 3.61Å; W120-Q206 HydrophobicContact CZ2-CG 3.76Å; W120-Q206 HydrophobicContact CZ3-CG 3.78Å; W120-L209 HydrophobicContact CH2-CB 4.17Å; W120-L209 HydrophobicContact CH2-CD1 3.68Å; W120-L209 HydrophobicContact CZ2-CB 4.24Å; W120-L209 HydrophobicContact CZ3-CD1 4.44Å; W120-E210 PolarHBondContact NE1-OE1 3.07Å
121	V	96.2	Very high	82.5	Confident	48 Å²	48	62.2 Å²	62.2	29%	0.291	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	126.1	169.1	-179.2	0	0	0	0	108	K119 V128	K119-V121 HydrophobicContact CD-CG2 4.26Å; K119-V121 HydrophobicContact CG-CG2 4.24Å; V121-V128 HydrophobicContact CB-CB 4.28Å; V121-V128 PolarHBondContact N-O 3.24Å; V121-V128 PolarHBondContact O-N 3.39Å
122	K	95.8	Very high	84.9	Confident	116 Å²	116	56.7 Å²	56.7	50%	0.504	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	133.9	-179.7	-53.2	-170.1	-178.7	-169.2	0	109.5	L127 E202	K122-L127 HydrophobicContact CB-CD2 4.04Å; K122-L127 HydrophobicContact CD-CD2 4.24Å; K122-L127 HydrophobicContact CG-CD2 3.83Å; K122-E202 VanDerWaalsContact CD-OE1 3.27Å; K122-E202 WeakPolarHBondContact CD-OE1 3.38Å; K122-E202 WeakPolarHBondContact CE-OE1 3.3Å; K122-E202 IonicContact NZ-OE1 3.65Å; K122-E202 PolarHBondContact NZ-OE1 2.9Å
123	S	93.6	Very high	86.8	Confident	47 Å²	47	58.2 Å²	58.2	33%	0.329	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	161	175.7	55.1	0	0	0	0	110.1	G125 L126	S123-G125 PolarHBondContact O-N 3.32Å; S123-L126 PolarHBondContact N-O 2.9Å; S123-L126 PolarHBondContact O-N 3.48Å; S123-L126 WeakPolarHBondContact OG-CB 3.4Å; S123-L126 PolarHBondContact OG-O 3.39Å; S123-L126 VanDerWaalsContact OG-O 3.11Å
124	P	91.3	Very high	88.5	Confident	107 Å²	107	54.6 Å²	54.6	70%	0.695	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	117.9	178.5	-26	35.4	0	0	0	111.5	L126	P124-L126 VanDerWaalsContact C-N 3.32Å; P124-L126 PolarHBondContact O-N 2.63Å
125	G	93.2	Very high	90.1	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.01	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.6	-5.1	179.1	0	0	0	0	0	116	S123 T226 D229	S123-G125 PolarHBondContact O-N 3.32Å; G125-T226 VanDerWaalsContact CA-OG1 3.3Å; G125-T226 WeakPolarHBondContact CA-OG1 3.21Å; G125-T226 PolarHBondContact O-N 2.83Å; G125-T226 PolarHBondContact O-OG1 3.2Å; G125-D229 WeakPolarHBondContact CA-OD2 3.35Å
126	L	97.1	Very high	91.6	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.005	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	129.7	-172.5	-177.9	71.4	0	0	0	113.3	S123 P124 V128 Y223 T224 Y231 M238 R241	S123-L126 PolarHBondContact N-O 2.9Å; S123-L126 PolarHBondContact O-N 3.48Å; S123-L126 WeakPolarHBondContact OG-CB 3.4Å; S123-L126 PolarHBondContact OG-O 3.39Å; S123-L126 VanDerWaalsContact OG-O 3.11Å; P124-L126 VanDerWaalsContact C-N 3.32Å; P124-L126 PolarHBondContact O-N 2.63Å; L126-V128 HydrophobicContact CD2-CG2 3.89Å; L126-V128 HydrophobicContact CG-CG2 4.01Å; L126-Y223 HydrophobicContact CD1-CD1 3.83Å; L126-Y223 HydrophobicContact CD2-CD1 4.06Å; L126-Y223 HydrophobicContact CD2-CE1 4.22Å; L126-Y223 HydrophobicContact CG-CD1 4.36Å; L126-T224 WeakPolarHBondContact CA-O 3.43Å; L126-Y231 HydrophobicContact CB-CD1 4.38Å; L126-Y231 HydrophobicContact CB-CD2 3.84Å; L126-Y231 HydrophobicContact CB-CE2 3.94Å; L126-Y231 HydrophobicContact CB-CG 4.07Å; L126-Y231 HydrophobicContact CD1-CD1 4.13Å; L126-Y231 HydrophobicContact CD1-CG 4.2Å; L126-Y231 HydrophobicContact CD2-CD1 3.97Å; L126-Y231 HydrophobicContact CD2-CE1 3.73Å; L126-Y231 HydrophobicContact CD2-CE2 4.48Å; L126-Y231 HydrophobicContact CD2-CG 4.5Å; L126-Y231 HydrophobicContact CG-CD1 4.38Å; L126-Y231 HydrophobicContact CG-CG 4.48Å; L126-M238 HydrophobicContact CD1-CG 3.88Å; L126-M238 HydrophobicContact CD1-SD 4.31Å; L126-R241 HydrophobicContact CD2-CG 4.22Å
127	L	98	Very high	93	Very high	5 Å²	5	48.8 Å²	48.8	3%	0.026	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	136.9	165.4	-48	170.5	0	0	0	109.4	W120 K122 I195 E202 T224 T226	W120-L127 HydrophobicContact CZ3-CB 4.37Å; K122-L127 HydrophobicContact CB-CD2 4.04Å; K122-L127 HydrophobicContact CD-CD2 4.24Å; K122-L127 HydrophobicContact CG-CD2 3.83Å; L127-I195 HydrophobicContact CD1-CD1 4.08Å; L127-E202 HydrophobicContact CD1-CG 3.73Å; L127-T224 PolarHBondContact N-O 3.28Å; L127-T224 PolarHBondContact O-N 3.44Å; L127-T226 HydrophobicContact CD1-CG2 3.99Å; L127-T226 HydrophobicContact CG-CG2 3.89Å
128	V	98	Very high	93.7	Very high	4 Å²	4	48.8 Å²	48.8	2%	0.024	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	128.2	176.3	-170.4	0	0	0	0	108.9	W120 V121 L126 V221 C222 Y223	W120-V128 CarbonylContact C-O 3.56Å; W120-V128 WeakPolarHBondContact CA-O 3.44Å; V121-V128 HydrophobicContact CB-CB 4.28Å; V121-V128 PolarHBondContact N-O 3.24Å; V121-V128 PolarHBondContact O-N 3.39Å; L126-V128 HydrophobicContact CD2-CG2 3.89Å; L126-V128 HydrophobicContact CG-CG2 4.01Å; V128-V221 HydrophobicContact CG1-CG1 3.72Å; V128-C222 CarbonylContact C-O 3.15Å; V128-C222 WeakPolarHBondContact CA-O 3.3Å; V128-Y223 HydrophobicContact CB-CE1 4.35Å; V128-Y223 HydrophobicContact CG1-CD1 4.34Å; V128-Y223 HydrophobicContact CG1-CE1 3.94Å; V128-Y223 HydrophobicContact CG1-CE2 4.21Å; V128-Y223 HydrophobicContact CG2-CD1 3.65Å; V128-Y223 HydrophobicContact CG2-CE1 3.45Å; V128-Y223 VanDerWaalsContact CG2-CE1 3.45Å
129	F	97.7	Very high	93.9	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	115.5	175	-179.8	-134.4	0	0	0	110.1	R118 K119 W120 V131 L209 E210 A213 F220 V221 C222	R118-F129 HydrophobicContact CB-CE2 4.13Å; K119-F129 WeakPolarHBondContact O-CA 3.37Å; W120-F129 AromaticContact CD1-CD2 3.8Å; W120-F129 AromaticContact CD1-CE2 3.99Å; W120-F129 HydrophobicContact CD2-CB 4.02Å; W120-F129 AromaticContact CD2-CD2 3.66Å; W120-F129 HydrophobicContact CD2-CD2 3.66Å; W120-F129 HydrophobicContact CD2-CE2 4.46Å; W120-F129 HydrophobicContact CD2-CG 4.11Å; W120-F129 AromaticContact CE2-CD2 3.21Å; W120-F129 AromaticContact CE2-CE2 3.68Å; W120-F129 AromaticContact CE2-CG 3.66Å; W120-F129 HydrophobicContact CE3-CB 3.79Å; W120-F129 HydrophobicContact CE3-CD2 4.33Å; W120-F129 HydrophobicContact CE3-CG 4.36Å; W120-F129 HydrophobicContact CG-CD2 4.04Å; W120-F129 HydrophobicContact CH2-CB 3.62Å; W120-F129 HydrophobicContact CH2-CD1 4.3Å; W120-F129 HydrophobicContact CH2-CD2 4.26Å; W120-F129 AromaticContact CH2-CG 3.83Å; W120-F129 HydrophobicContact CH2-CG 3.83Å; W120-F129 HydrophobicContact CZ2-CB 3.82Å; W120-F129 AromaticContact CZ2-CD1 3.96Å; W120-F129 HydrophobicContact CZ2-CD1 3.96Å; W120-F129 AromaticContact CZ2-CD2 3.55Å; W120-F129 HydrophobicContact CZ2-CD2 3.55Å; W120-F129 HydrophobicContact CZ2-CE1 4.37Å; W120-F129 HydrophobicContact CZ2-CE2 4.02Å; W120-F129 AromaticContact CZ2-CG 3.51Å; W120-F129 HydrophobicContact CZ2-CG 3.51Å; W120-F129 HydrophobicContact CZ2-CZ 4.4Å; W120-F129 HydrophobicContact CZ3-CB 3.61Å; W120-F129 HydrophobicContact CZ3-CG 4.25Å; W120-F129 AromaticContact NE1-CD2 3.28Å; W120-F129 VanDerWaalsContact NE1-CD2 3.28Å; W120-F129 AromaticContact NE1-CE2 3.32Å; W120-F129 VanDerWaalsContact NE1-CE2 3.32Å; F129-V131 HydrophobicContact CD1-CG2 3.88Å; F129-V131 HydrophobicContact CE1-CG2 3.3Å; F129-V131 HydrophobicContact CE2-CG2 4.02Å; F129-V131 HydrophobicContact CG-CG2 4.46Å; F129-V131 HydrophobicContact CZ-CG2 3.38Å; F129-L209 HydrophobicContact CD1-CB 3.94Å; F129-L209 HydrophobicContact CE1-CB 4.12Å; F129-E210 WeakPolarHBondContact CE2-OE1 3.31Å; F129-E210 HydrophobicContact CZ-CG 4.21Å; F129-E210 WeakPolarHBondContact CZ-OE1 3.46Å; F129-E210 WeakPolarHBondContact CZ-OE2 3.16Å; F129-A213 HydrophobicContact CE1-CB 4.11Å; F129-A213 HydrophobicContact CZ-CB 4.38Å; F129-F220 HydrophobicContact CD1-CE2 4.34Å; F129-F220 HydrophobicContact CD1-CZ 4.38Å; F129-F220 HydrophobicContact CE1-CZ 4.18Å; F129-V221 CarbonylContact O-C 3.55Å; F129-V221 WeakPolarHBondContact O-CA 3.23Å; F129-C222 HydrophobicContact CB-CB 4.28Å; F129-C222 PolarHBondContact N-O 3.43Å; F129-C222 PolarHBondContact O-N 3.43Å
130	T	96.4	Very high	94.1	Very high	21 Å²	21	41.4 Å²	41.4	13%	0.129	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	130.3	178	-52.6	0	0	0	0	109.1	R118 K119 V134 V221	R118-T130 WeakPolarHBondContact CA-O 3.41Å; K119-T130 PolarHBondContact N-O 2.93Å; K119-T130 PolarHBondContact O-N 2.83Å; T130-V134 HydrophobicContact CG2-CG2 4.07Å; T130-V221 HydrophobicContact CG2-CG2 4.35Å
131	V	95.1	Very high	94.2	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	123.4	177	-179.4	0	0	0	0	108.6	L115 F129 A213 P219 F220	L115-V131 HydrophobicContact CD2-CG1 3.62Å; F129-V131 HydrophobicContact CD1-CG2 3.88Å; F129-V131 HydrophobicContact CE1-CG2 3.3Å; F129-V131 HydrophobicContact CE2-CG2 4.02Å; F129-V131 HydrophobicContact CG-CG2 4.46Å; F129-V131 HydrophobicContact CZ-CG2 3.38Å; V131-A213 HydrophobicContact CG1-CB 4.2Å; V131-A213 HydrophobicContact CG2-CB 3.86Å; V131-P219 CarbonylContact O-C 3.58Å; V131-P219 WeakPolarHBondContact O-CA 3.34Å; V131-F220 HydrophobicContact CB-CD1 3.92Å; V131-F220 HydrophobicContact CB-CE1 3.76Å; V131-F220 HydrophobicContact CB-CZ 4.28Å; V131-F220 HydrophobicContact CG1-CD1 4.36Å; V131-F220 HydrophobicContact CG1-CE1 4.07Å; V131-F220 HydrophobicContact CG2-CD1 4.18Å; V131-F220 HydrophobicContact CG2-CE1 3.58Å; V131-F220 HydrophobicContact CG2-CE2 4.22Å; V131-F220 HydrophobicContact CG2-CZ 3.61Å; V131-F220 PolarHBondContact N-O 3.19Å; V131-F220 PolarHBondContact O-N 3.27Å; V131-F220 VanDerWaalsContact O-N 3.08Å
132	G	91.1	Very high	94.3	Very high	5 Å²	5	36.2 Å²	36.2	5%	0.052	21%	0.211	C	C	.	.	S	Bend	trans	70.8	-175.6	-177.5	0	0	0	0	0	113.1	N117 V134	N117-G132 PolarHBondContact O-N 3.11Å; G132-V134 PolarHBondContact O-N 3.17Å
133	D	86.2	Confident	94.5	Very high	117 Å²	117	30.7 Å²	30.7	63%	0.626	19%	0.187	S	C	*	.			trans	-86.3	94.9	177.6	-64.3	-34.8	0	0	0	109.8	N117 T135	N117-D133 PolarHBondContact ND2-OD1 3.46Å; N117-D133 PolarHBondContact ND2-OD2 2.93Å; D133-T135 PolarHBondContact O-N 3.19Å
134	V	86.3	Confident	94.7	Very high	30 Å²	30	29 Å²	29	18%	0.182	17%	0.174	C	C	.	.			trans	-80.1	111.5	175.3	-179.8	0	0	0	0	108.6	T130 G132 P219 V221	T130-V134 HydrophobicContact CG2-CG2 4.07Å; G132-V134 PolarHBondContact O-N 3.17Å; V134-P219 HydrophobicContact CG2-CB 4.19Å; V134-V221 HydrophobicContact CB-CG2 4.06Å; V134-V221 HydrophobicContact CG1-CG2 3.87Å; V134-V221 HydrophobicContact CG2-CG2 3.7Å
135	T	86.7	Confident	95	Very high	100 Å²	100	23.9 Å²	23.9	61%	0.613	14%	0.14	S	C	*	.			trans	-93.8	157.1	175.5	55.1	0	0	0	0	110.7	D133 S137 N185	D133-T135 PolarHBondContact O-N 3.19Å; T135-S137 PolarHBondContact O-N 2.97Å; T135-N185 PolarHBondContact O-ND2 2.97Å; T135-N185 PolarHBondContact O-OD1 2.89Å; T135-N185 VanDerWaalsContact O-OD1 3.13Å
136	A	92.3	Very high	95.1	Very high	52 Å²	52	26.4 Å²	26.4	43%	0.43	15%	0.154	S	C	.	.			trans	-61.6	138.9	176.8	0	0	0	0	0	111.2	A250	A136-A250 HydrophobicContact CB-CB 4.03Å
137	S	94.3	Very high	95	Very high	17 Å²	17	27.3 Å²	27.3	12%	0.119	16%	0.163	C	C	.	.			trans	-135.8	151.5	176.9	-178.5	0	0	0	0	110.7	T135 K139 G183 N185 N247	T135-S137 PolarHBondContact O-N 2.97Å; S137-K139 VanDerWaalsContact C-N 3.34Å; S137-K139 PolarHBondContact OG-N 2.81Å; S137-K139 PolarHBondContact OG-O 2.98Å; S137-G183 PolarHBondContact OG-O 3.48Å; S137-N185 WeakPolarHBondContact CB-ND2 3.05Å; S137-N185 PolarHBondContact N-ND2 3.35Å; S137-N247 PolarHBondContact N-OD1 3.07Å; S137-N247 PolarHBondContact O-ND2 2.99Å; S137-N247 PolarHBondContact O-OD1 3.24Å
138	N	95.4	Very high	94.9	Very high	81 Å²	81	27 Å²	27	43%	0.433	16%	0.162	S	C	.	.	S	Bend	trans	-85.4	-8	169.5	67.1	-11.4	0	0	0	112.7	Q251 N253	N138-Q251 VanDerWaalsContact CB-O 3.26Å; N138-Q251 WeakPolarHBondContact CB-O 3.26Å; N138-N253 PolarHBondContact O-N 3.21Å
139	K	97.1	Very high	94.9	Very high	57 Å²	57	26.9 Å²	26.9	25%	0.248	16%	0.161	C	C	.	.			trans	-116.7	116.5	178.7	-63.7	-179.5	-165.7	174.8	0	110.4	S137 F184 N185 W256	S137-K139 VanDerWaalsContact C-N 3.34Å; S137-K139 PolarHBondContact OG-N 2.81Å; S137-K139 PolarHBondContact OG-O 2.98Å; K139-F184 HydrophobicContact CB-CD1 3.66Å; K139-F184 HydrophobicContact CB-CE1 3.83Å; K139-F184 HydrophobicContact CB-CG 4.04Å; K139-F184 HydrophobicContact CB-CZ 4.33Å; K139-F184 HydrophobicContact CD-CD2 4.44Å; K139-F184 HydrophobicContact CD-CE1 4.39Å; K139-F184 HydrophobicContact CD-CE2 4.09Å; K139-F184 HydrophobicContact CD-CZ 4.07Å; K139-F184 HydrophobicContact CG-CE1 4.49Å; K139-F184 WeakPolarHBondContact O-CA 3.46Å; K139-N185 PolarHBondContact O-N 2.8Å; K139-W256 HydrophobicContact CG-CB 4.08Å
140	I	98.1	Very high	94.8	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	124.1	-179.3	-45.1	-53.8	0	0	0	110.2	A142 N185 V187 W239 Y242 L252 S257 F258	I140-A142 HydrophobicContact CG2-CB 4.2Å; I140-N185 HydrophobicContact CD1-CB 3.93Å; I140-V187 HydrophobicContact CG2-CG2 3.99Å; I140-W239 HydrophobicContact CB-CH2 4.35Å; I140-W239 HydrophobicContact CG1-CH2 4.19Å; I140-W239 HydrophobicContact CG2-CH2 4.27Å; I140-W239 HydrophobicContact CG2-CZ3 4.03Å; I140-Y242 HydrophobicContact CD1-CE1 3.94Å; I140-Y242 WeakPolarHBondContact CD1-OH 3.5Å; I140-Y242 HydrophobicContact CG1-CE1 4.25Å; I140-Y242 HydrophobicContact CG2-CE1 4.01Å; I140-L252 HydrophobicContact CD1-CD2 3.82Å; I140-L252 HydrophobicContact CG1-CD1 4.37Å; I140-L252 HydrophobicContact CG1-CD2 3.62Å; I140-S257 PolarHBondContact N-OG 3.42Å; I140-S257 CarbonylContact O-C 3.55Å; I140-S257 VanDerWaalsContact O-CA 3.25Å; I140-S257 WeakPolarHBondContact O-CA 3.18Å; I140-F258 PolarHBondContact O-N 2.95Å
141	A	98.4	Very high	94.7	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	95.1	169.1	0	0	0	0	0	107.9	F143 L179 F184 N185 V186 V187 F258	A141-F143 HydrophobicContact CB-CE2 3.69Å; A141-F143 HydrophobicContact CB-CZ 4.14Å; A141-F143 VanDerWaalsContact O-CD2 3.28Å; A141-F143 WeakPolarHBondContact O-CD2 3.15Å; A141-F143 WeakPolarHBondContact O-CE2 3.08Å; A141-L179 HydrophobicContact CB-CD1 3.92Å; A141-L179 HydrophobicContact CB-CD2 4.36Å; A141-F184 HydrophobicContact CB-CB 3.91Å; A141-F184 HydrophobicContact CB-CD1 3.77Å; A141-F184 HydrophobicContact CB-CG 4.12Å; A141-N185 PolarHBondContact N-O 2.94Å; A141-V186 WeakPolarHBondContact O-CA 3.43Å; A141-V187 PolarHBondContact O-N 3Å; A141-F258 HydrophobicContact CB-CE1 4.03Å; A141-F258 HydrophobicContact CB-CE2 3.91Å; A141-F258 HydrophobicContact CB-CZ 3.47Å; A141-F258 VanDerWaalsContact CB-CZ 3.47Å
142	A	98.8	Very high	94.5	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	144.9	-176.9	0	0	0	0	0	111.2	I140 V187 F189 F258 F259 V260	I140-A142 HydrophobicContact CG2-CB 4.2Å; A142-V187 CarbonylContact C-O 3.58Å; A142-V187 VanDerWaalsContact CA-O 3.24Å; A142-V187 WeakPolarHBondContact CA-O 3.44Å; A142-V187 HydrophobicContact CB-CB 4.39Å; A142-F189 HydrophobicContact CB-CD2 3.99Å; A142-F189 HydrophobicContact CB-CE2 3.86Å; A142-F258 PolarHBondContact N-O 3.13Å; A142-F259 HydrophobicContact CB-CD2 3.56Å; A142-F259 HydrophobicContact CB-CE2 4.22Å; A142-F259 CarbonylContact O-C 3.54Å; A142-F259 VanDerWaalsContact O-CA 3.25Å; A142-F259 WeakPolarHBondContact O-CA 3.49Å; A142-V260 PolarHBondContact O-N 3.3Å
143	F	98.8	Very high	94.3	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	146.3	-172.7	-62	-91.4	0	0	0	111	A141 T148 I149 L176 L179 V186 V187 I188 F189 F258 V260 F297 F298	A141-F143 HydrophobicContact CB-CE2 3.69Å; A141-F143 HydrophobicContact CB-CZ 4.14Å; A141-F143 VanDerWaalsContact O-CD2 3.28Å; A141-F143 WeakPolarHBondContact O-CD2 3.15Å; A141-F143 WeakPolarHBondContact O-CE2 3.08Å; F143-T148 HydrophobicContact CB-CG2 4.45Å; F143-T148 HydrophobicContact CD1-CG2 4.41Å; F143-I149 HydrophobicContact CB-CD1 3.71Å; F143-I149 HydrophobicContact CB-CG1 4.05Å; F143-I149 HydrophobicContact CG-CD1 4.23Å; F143-I149 HydrophobicContact CG-CG1 4.44Å; F143-L176 HydrophobicContact CD1-CD2 4.34Å; F143-L176 HydrophobicContact CD2-CD2 3.88Å; F143-L176 HydrophobicContact CE1-CD2 3.92Å; F143-L176 HydrophobicContact CE2-CD2 3.38Å; F143-L176 HydrophobicContact CG-CD2 4.35Å; F143-L176 HydrophobicContact CZ-CD2 3.44Å; F143-L176 VanDerWaalsContact CZ-CD2 3.44Å; F143-L179 HydrophobicContact CE2-CD1 4.12Å; F143-L179 HydrophobicContact CZ-CD1 3.6Å; F143-V186 HydrophobicContact CD2-CG1 4.23Å; F143-V186 HydrophobicContact CE2-CG1 4.24Å; F143-V187 PolarHBondContact N-O 3.49Å; F143-I188 CarbonylContact O-C 3.5Å; F143-I188 VanDerWaalsContact O-CA 3.26Å; F143-I188 WeakPolarHBondContact O-CA 3Å; F143-F189 PolarHBondContact O-N 2.86Å; F143-F258 HydrophobicContact CE1-CE2 4.36Å; F143-F258 AromaticContact CZ-CE2 3.91Å; F143-F258 HydrophobicContact CZ-CE2 3.91Å; F143-F258 HydrophobicContact CZ-CZ 4.41Å; F143-V260 CarbonylContact C-O 3.59Å; F143-V260 WeakPolarHBondContact CA-O 3.45Å; F143-V260 HydrophobicContact CD1-CB 3.65Å; F143-V260 HydrophobicContact CD1-CG1 4.36Å; F143-V260 HydrophobicContact CD1-CG2 3.92Å; F143-V260 HydrophobicContact CE1-CB 3.9Å; F143-V260 HydrophobicContact CE1-CG2 3.63Å; F143-V260 HydrophobicContact CZ-CG2 4.44Å; F143-F297 HydrophobicContact CE1-CD1 4.09Å; F143-F297 AromaticContact CE1-CE1 3.86Å; F143-F297 HydrophobicContact CE1-CE1 3.86Å; F143-F297 HydrophobicContact CE1-CZ 4.5Å; F143-F297 HydrophobicContact CZ-CE1 4.07Å; F143-F297 HydrophobicContact CZ-CZ 4.38Å; F143-F298 HydrophobicContact CD1-CZ 4.03Å; F143-F298 HydrophobicContact CE1-CE1 4.46Å; F143-F298 HydrophobicContact CE1-CE2 4.48Å; F143-F298 AromaticContact CE1-CZ 3.75Å; F143-F298 HydrophobicContact CE1-CZ 3.75Å
144	D	98.6	Very high	94.4	Very high	10 Å²	10	31.1 Å²	31.1	5%	0.053	19%	0.185	C	C	.	.			trans	-72.6	164.6	154.9	177.1	64.4	0	0	0	111.1	D146 T148 I149 K233 F259 V260	D144-D146 PolarHBondContact OD2-N 3.25Å; D144-D146 VanDerWaalsContact OD2-N 3.16Å; D144-T148 HydrophobicContact CB-CG2 4.4Å; D144-T148 WeakPolarHBondContact O-CB 3.49Å; D144-T148 WeakPolarHBondContact O-CG2 3.35Å; D144-T148 PolarHBondContact OD2-OG1 2.86Å; D144-I149 WeakPolarHBondContact O-CG1 3.31Å; D144-K233 IonicContact OD1-NZ 3.32Å; D144-K233 PolarHBondContact OD1-NZ 2.95Å; D144-F259 HydrophobicContact CB-CZ 4.17Å; D144-V260 PolarHBondContact N-O 3.37Å
145	L	97.8	Very high	94.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	21%	0.21	C	C	.	.	S	Bend	trans	-93.2	-70	178.1	-177.1	63.2	0	0	0	112.9	T148 I149 I150 I188 T190 F205 L209 I212	L145-T148 PolarHBondContact O-N 2.93Å; L145-I149 HydrophobicContact CD1-CB 4.43Å; L145-I149 PolarHBondContact O-N 2.9Å; L145-I150 HydrophobicContact CD1-CD1 3.86Å; L145-I150 HydrophobicContact CD1-CG1 3.93Å; L145-I150 HydrophobicContact CD2-CD1 4.34Å; L145-I150 HydrophobicContact CG-CD1 3.83Å; L145-I150 HydrophobicContact CG-CG1 4Å; L145-I150 WeakPolarHBondContact O-CG1 3.45Å; L145-I150 PolarHBondContact O-N 3Å; L145-I188 HydrophobicContact CB-CG2 3.9Å; L145-I188 HydrophobicContact CD1-CG2 4.45Å; L145-T190 HydrophobicContact CB-CG2 4.36Å; L145-T190 HydrophobicContact CD2-CG2 4.29Å; L145-F205 HydrophobicContact CD2-CE2 3.85Å; L145-F205 HydrophobicContact CD2-CZ 4.03Å; L145-L209 HydrophobicContact CD1-CD2 4.39Å; L145-L209 HydrophobicContact CD2-CD2 4.15Å; L145-I212 HydrophobicContact CD1-CD1 3.98Å
146	D	94.9	Very high	94.2	Very high	55 Å²	55	35.9 Å²	35.9	29%	0.294	21%	0.21	S	C	.	.	B	Isolated β-bridge	trans	-86.3	119.2	-167.8	-65.8	-57.9	0	0	0	110.4	D144 T148 I150 Q192 K208	D144-D146 PolarHBondContact OD2-N 3.25Å; D144-D146 VanDerWaalsContact OD2-N 3.16Å; D146-T148 VanDerWaalsContact C-N 3.32Å; D146-I150 WeakPolarHBondContact OD1-CD1 3.28Å; D146-Q192 PolarHBondContact OD2-NE2 3.19Å; D146-K208 IonicContact OD1-NZ 3.69Å; D146-K208 PolarHBondContact OD1-NZ 2.94Å
147	G	94	Very high	93.5	Very high	19 Å²	19	39.4 Å²	39.4	20%	0.196	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.9	-15.2	-169.5	0	0	0	0	0	113	I150 N151	G147-I150 PolarHBondContact N-O 3.46Å; G147-N151 WeakPolarHBondContact CA-OD1 3.39Å
148	T	97.3	Very high	92.8	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.1	-68.5	-172.8	-61.7	0	0	0	0	113.1	F143 D144 L145 D146 A168 V260 G261 D262 P294 F298	F143-T148 HydrophobicContact CB-CG2 4.45Å; F143-T148 HydrophobicContact CD1-CG2 4.41Å; D144-T148 HydrophobicContact CB-CG2 4.4Å; D144-T148 WeakPolarHBondContact O-CB 3.49Å; D144-T148 WeakPolarHBondContact O-CG2 3.35Å; D144-T148 PolarHBondContact OD2-OG1 2.86Å; L145-T148 PolarHBondContact O-N 2.93Å; D146-T148 VanDerWaalsContact C-N 3.32Å; T148-A168 VanDerWaalsContact O-CB 3.3Å; T148-A168 WeakPolarHBondContact O-CB 3.41Å; T148-V260 HydrophobicContact CG2-CB 4.4Å; T148-V260 HydrophobicContact CG2-CG1 4.03Å; T148-G261 WeakPolarHBondContact OG1-CA 3.42Å; T148-D262 PolarHBondContact OG1-N 3.22Å; T148-D262 VanDerWaalsContact OG1-N 3.16Å; T148-P294 HydrophobicContact CG2-CG 4.09Å; T148-F298 HydrophobicContact CG2-CE2 4.47Å
149	I	97.6	Very high	92.1	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-38.8	175.8	-67.8	175.8	0	0	0	109.6	F143 D144 L145 F167 A168 V172 L176 I188	F143-I149 HydrophobicContact CB-CD1 3.71Å; F143-I149 HydrophobicContact CB-CG1 4.05Å; F143-I149 HydrophobicContact CG-CD1 4.23Å; F143-I149 HydrophobicContact CG-CG1 4.44Å; D144-I149 WeakPolarHBondContact O-CG1 3.31Å; L145-I149 HydrophobicContact CD1-CB 4.43Å; L145-I149 PolarHBondContact O-N 2.9Å; I149-F167 HydrophobicContact CG2-CD1 4.17Å; I149-F167 HydrophobicContact CG2-CE1 4.07Å; I149-F167 WeakPolarHBondContact O-CA 3.46Å; I149-A168 PolarHBondContact O-N 2.75Å; I149-V172 HydrophobicContact CB-CG1 4.47Å; I149-V172 HydrophobicContact CG2-CG1 3.95Å; I149-L176 HydrophobicContact CD1-CD1 4.32Å; I149-L176 HydrophobicContact CG1-CD1 4.43Å; I149-L176 HydrophobicContact CG2-CD1 4.38Å; I149-I188 HydrophobicContact CD1-CD1 3.55Å; I149-I188 HydrophobicContact CD1-CG1 3.65Å
150	I	96.3	Very high	91.3	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	155.8	-177.4	60.4	170.3	0	0	0	111.5	L145 D146 G147 W165 T166 F167 K208 I212	L145-I150 HydrophobicContact CD1-CD1 3.86Å; L145-I150 HydrophobicContact CD1-CG1 3.93Å; L145-I150 HydrophobicContact CD2-CD1 4.34Å; L145-I150 HydrophobicContact CG-CD1 3.83Å; L145-I150 HydrophobicContact CG-CG1 4Å; L145-I150 WeakPolarHBondContact O-CG1 3.45Å; L145-I150 PolarHBondContact O-N 3Å; D146-I150 WeakPolarHBondContact OD1-CD1 3.28Å; G147-I150 PolarHBondContact N-O 3.46Å; I150-W165 HydrophobicContact CB-CE3 4.29Å; I150-W165 HydrophobicContact CD1-CB 4.24Å; I150-W165 HydrophobicContact CG2-CE3 3.64Å; I150-W165 HydrophobicContact CG2-CZ3 4.04Å; I150-T166 CarbonylContact C-O 3.58Å; I150-T166 WeakPolarHBondContact CA-O 3.26Å; I150-T166 WeakPolarHBondContact CB-O 3.42Å; I150-F167 HydrophobicContact CG2-CD1 4.42Å; I150-K208 HydrophobicContact CD1-CD 4.43Å; I150-I212 HydrophobicContact CD1-CD1 4.1Å; I150-I212 HydrophobicContact CG2-CD1 3.94Å; I150-I212 HydrophobicContact CG2-CG1 4.39Å
151	N	93.5	Very high	90.4	Very high	67 Å²	67	51 Å²	51	36%	0.358	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	162.2	168.7	-78	-34.2	0	0	0	109.2	G147 W165 T166 A168	G147-N151 WeakPolarHBondContact CA-OD1 3.39Å; N151-W165 CarbonylContact O-C 3.6Å; N151-W165 VanDerWaalsContact O-CA 3.23Å; N151-W165 WeakPolarHBondContact O-CA 3.37Å; N151-T166 PolarHBondContact N-O 3.49Å; N151-T166 PolarHBondContact O-N 3.37Å; N151-A168 WeakPolarHBondContact ND2-CA 3.45Å; N151-A168 WeakPolarHBondContact ND2-CB 3.47Å
152	T	90	Very high	89.5	Confident	29 Å²	29	52.5 Å²	52.5	18%	0.178	29%	0.294	C	S	.	.			trans	-66	136.9	168.6	59.8	0	0	0	0	110.1	S154 G155 R156 P159 D164	T152-S154 VanDerWaalsContact C-N 3.27Å; T152-S154 PolarHBondContact O-N 3.36Å; T152-G155 PolarHBondContact O-N 3.45Å; T152-G155 WeakPolarHBondContact OG1-CA 3.25Å; T152-G155 PolarHBondContact OG1-N 3.46Å; T152-R156 WeakPolarHBondContact CB-O 3.18Å; T152-R156 VanDerWaalsContact CG2-O 3.25Å; T152-R156 WeakPolarHBondContact CG2-O 3.2Å; T152-R156 PolarHBondContact OG1-N 3.24Å; T152-R156 PolarHBondContact OG1-O 3.31Å; T152-P159 HydrophobicContact CG2-CB 4.21Å; T152-D164 WeakPolarHBondContact CA-O 3.46Å
153	M	88.3	Confident	88.7	Confident	79 Å²	79	55 Å²	55	39%	0.389	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-31.2	177.2	-167.2	-178.4	-57.5	0	0	111.3	G155 D164 W165	M153-G155 VanDerWaalsContact C-N 3.27Å; M153-G155 PolarHBondContact O-N 3.38Å; M153-D164 WeakPolarHBondContact CA-OD1 3.39Å; M153-D164 WeakPolarHBondContact CB-OD1 3.47Å; M153-D164 PolarHBondContact N-OD1 3Å; M153-W165 VanDerWaalsContact CE-O 3.24Å; M153-W165 WeakPolarHBondContact CE-O 3.47Å
154	S	86.9	Confident	88.1	Confident	57 Å²	57	55.4 Å²	55.4	40%	0.399	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-20.9	175.7	67.7	0	0	0	0	113.5	T152 R156 D164	T152-S154 VanDerWaalsContact C-N 3.27Å; T152-S154 PolarHBondContact O-N 3.36Å; S154-R156 PolarHBondContact OG-N 3.06Å; S154-D164 WeakPolarHBondContact CB-OD1 3.21Å; S154-D164 VanDerWaalsContact CB-OD2 3.24Å; S154-D164 WeakPolarHBondContact CB-OD2 3.38Å; S154-D164 PolarHBondContact N-OD1 3.48Å; S154-D164 PolarHBondContact OG-OD1 3.03Å; S154-D164 PolarHBondContact OG-OD2 3.28Å
155	G	84.8	Confident	87.8	Confident	67 Å²	67	56.3 Å²	56.3	69%	0.691	32%	0.32	S	S	*	.			trans	75.1	9.9	-172.9	0	0	0	0	0	114	T152 M153	T152-G155 PolarHBondContact O-N 3.45Å; T152-G155 WeakPolarHBondContact OG1-CA 3.25Å; T152-G155 PolarHBondContact OG1-N 3.46Å; M153-G155 VanDerWaalsContact C-N 3.27Å; M153-G155 PolarHBondContact O-N 3.38Å
156	R	84.1	Confident	87.6	Confident	163 Å²	163	59.4 Å²	59.4	62%	0.615	34%	0.339	S	S	*	.			trans	-80.3	157.4	172.6	-65.7	-175.5	-178.4	-179.1	1.3	110.7	T152 S154 Y158	T152-R156 WeakPolarHBondContact CB-O 3.18Å; T152-R156 VanDerWaalsContact CG2-O 3.25Å; T152-R156 WeakPolarHBondContact CG2-O 3.2Å; T152-R156 PolarHBondContact OG1-N 3.24Å; T152-R156 PolarHBondContact OG1-O 3.31Å; S154-R156 PolarHBondContact OG-N 3.06Å; R156-Y158 VanDerWaalsContact C-N 3.25Å; R156-Y158 WeakPolarHBondContact CB-O 3.43Å; R156-Y158 PolarHBondContact O-N 2.82Å
157	V	79	Confident	87.7	Confident	126 Å²	126	58.5 Å²	58.5	76%	0.764	33%	0.332	S	S	*	.	S	Bend	trans	-61.1	-37.6	176.3	-179.2	0	0	0	0	111.7
158	Y	79.2	Confident	87.6	Confident	185 Å²	185	58.8 Å²	58.8	73%	0.725	33%	0.333	S	S	*	.	S	Bend	trans	-114.3	142.2	178.3	-57.6	-67.1	0	0	0	110.4	R156	R156-Y158 VanDerWaalsContact C-N 3.25Å; R156-Y158 WeakPolarHBondContact CB-O 3.43Å; R156-Y158 PolarHBondContact O-N 2.82Å
159	P	80.7	Confident	87.3	Confident	45 Å²	45	60.3 Å²	60.3	29%	0.292	34%	0.341	S	S	.	.			trans	-62.6	145.3	176.6	27.4	-34.3	0	0	0	110.5	T152 D164 M200	T152-P159 HydrophobicContact CG2-CB 4.21Å; P159-D164 WeakPolarHBondContact CA-OD2 3.49Å; P159-D164 HydrophobicContact CB-CB 4.1Å; P159-M200 HydrophobicContact CG-CE 3.97Å
160	T	79.5	Confident	87	Confident	74 Å²	74	64.2 Å²	64.2	45%	0.454	38%	0.382	S	S	.	.	S	Bend	trans	-86.9	-25.7	179.2	48.5	0	0	0	0	113.6	D164	T160-D164 PolarHBondContact N-OD2 3.14Å; T160-D164 PolarHBondContact OG1-OD2 2.95Å
161	D	80.7	Confident	86.9	Confident	94 Å²	94	69.2 Å²	69.2	50%	0.503	40%	0.403	S	S	.	.	S	Bend	trans	-159.6	179.5	173.7	59.7	47.9	0	0	0	110.2	A163 D164	D161-A163 PolarHBondContact O-N 3.37Å; D161-A163 WeakPolarHBondContact OD1-CA 3.49Å; D161-A163 WeakPolarHBondContact OD1-CB 3.3Å; D161-A163 PolarHBondContact OD1-N 2.83Å; D161-D164 WeakPolarHBondContact O-CB 3.2Å; D161-D164 PolarHBondContact O-N 2.89Å; D161-D164 VanDerWaalsContact O-N 3.16Å; D161-D164 PolarHBondContact OD1-N 3.15Å
162	A	78.1	Confident	87	Confident	33 Å²	33	66 Å²	66	27%	0.273	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-18.8	-179.7	0	0	0	0	0	114.9	E204	A162-E204 HydrophobicContact CB-CB 3.98Å; A162-E204 HydrophobicContact CB-CG 3.99Å
163	A	83.5	Confident	87.3	Confident	51 Å²	51	66.1 Å²	66.1	42%	0.421	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-9.9	178.8	0	0	0	0	0	113	D161 W165	D161-A163 PolarHBondContact O-N 3.37Å; D161-A163 WeakPolarHBondContact OD1-CA 3.49Å; D161-A163 WeakPolarHBondContact OD1-CB 3.3Å; D161-A163 PolarHBondContact OD1-N 2.83Å; A163-W165 PolarHBondContact O-N 3.43Å
164	D	86.2	Confident	87.7	Confident	9 Å²	9	65.6 Å²	65.6	5%	0.048	39%	0.391	C	S	.	.			trans	-75.4	62	-178.3	-170.5	9.9	0	0	0	113.1	T152 M153 S154 P159 T160 D161	T152-D164 WeakPolarHBondContact CA-O 3.46Å; M153-D164 WeakPolarHBondContact CA-OD1 3.39Å; M153-D164 WeakPolarHBondContact CB-OD1 3.47Å; M153-D164 PolarHBondContact N-OD1 3Å; S154-D164 WeakPolarHBondContact CB-OD1 3.21Å; S154-D164 VanDerWaalsContact CB-OD2 3.24Å; S154-D164 WeakPolarHBondContact CB-OD2 3.38Å; S154-D164 PolarHBondContact N-OD1 3.48Å; S154-D164 PolarHBondContact OG-OD1 3.03Å; S154-D164 PolarHBondContact OG-OD2 3.28Å; P159-D164 WeakPolarHBondContact CA-OD2 3.49Å; P159-D164 HydrophobicContact CB-CB 4.1Å; T160-D164 PolarHBondContact N-OD2 3.14Å; T160-D164 PolarHBondContact OG1-OD2 2.95Å; D161-D164 WeakPolarHBondContact O-CB 3.2Å; D161-D164 PolarHBondContact O-N 2.89Å; D161-D164 VanDerWaalsContact O-N 3.16Å; D161-D164 PolarHBondContact OD1-N 3.15Å
165	W	92	Very high	88.2	Confident	29 Å²	29	66 Å²	66	11%	0.11	39%	0.385	C	S	.	.			trans	-147.3	154.5	171.9	70.3	-87.8	0	0	0	112.2	I150 N151 M153 A163 F167 K208 R211 I212	I150-W165 HydrophobicContact CB-CE3 4.29Å; I150-W165 HydrophobicContact CD1-CB 4.24Å; I150-W165 HydrophobicContact CG2-CE3 3.64Å; I150-W165 HydrophobicContact CG2-CZ3 4.04Å; N151-W165 CarbonylContact O-C 3.6Å; N151-W165 VanDerWaalsContact O-CA 3.23Å; N151-W165 WeakPolarHBondContact O-CA 3.37Å; M153-W165 VanDerWaalsContact CE-O 3.24Å; M153-W165 WeakPolarHBondContact CE-O 3.47Å; A163-W165 PolarHBondContact O-N 3.43Å; W165-F167 HydrophobicContact CH2-CE2 4.2Å; W165-F167 HydrophobicContact CH2-CZ 4.5Å; W165-F167 HydrophobicContact CZ3-CD2 4.14Å; W165-F167 AromaticContact CZ3-CE2 3.84Å; W165-F167 HydrophobicContact CZ3-CE2 3.84Å; W165-F167 HydrophobicContact CZ3-CZ 4.15Å; W165-K208 HydrophobicContact CG-CG 4.35Å; W165-R211 HydrophobicContact CZ2-CB 3.82Å; W165-I212 HydrophobicContact CE3-CG1 4.23Å; W165-I212 HydrophobicContact CH2-CG1 3.6Å; W165-I212 HydrophobicContact CZ2-CG1 3.96Å; W165-I212 HydrophobicContact CZ3-CG1 3.75Å
166	T	93.8	Very high	88.8	Confident	65 Å²	65	62.8 Å²	62.8	40%	0.399	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	158.6	171.6	-169.1	0	0	0	0	109.2	I150 N151 A168	I150-T166 CarbonylContact C-O 3.58Å; I150-T166 WeakPolarHBondContact CA-O 3.26Å; I150-T166 WeakPolarHBondContact CB-O 3.42Å; N151-T166 PolarHBondContact N-O 3.49Å; N151-T166 PolarHBondContact O-N 3.37Å; T166-A168 PolarHBondContact O-N 3.4Å
167	F	95.7	Very high	89.4	Confident	36 Å²	36	59.4 Å²	59.4	16%	0.158	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	134.6	172.2	-75.3	-76.8	0	0	0	110.2	I149 I150 W165 N169 V172 V173 I212 V215 L216	I149-F167 HydrophobicContact CG2-CD1 4.17Å; I149-F167 HydrophobicContact CG2-CE1 4.07Å; I149-F167 WeakPolarHBondContact O-CA 3.46Å; I150-F167 HydrophobicContact CG2-CD1 4.42Å; W165-F167 HydrophobicContact CH2-CE2 4.2Å; W165-F167 HydrophobicContact CH2-CZ 4.5Å; W165-F167 HydrophobicContact CZ3-CD2 4.14Å; W165-F167 AromaticContact CZ3-CE2 3.84Å; W165-F167 HydrophobicContact CZ3-CE2 3.84Å; W165-F167 HydrophobicContact CZ3-CZ 4.15Å; F167-N169 PolarHBondContact O-N 3.49Å; F167-N169 VanDerWaalsContact O-N 3.1Å; F167-V172 HydrophobicContact CD1-CB 4.27Å; F167-V172 HydrophobicContact CD1-CG1 3.86Å; F167-V172 HydrophobicContact CE1-CG1 4.46Å; F167-V173 HydrophobicContact CD1-CG2 3.92Å; F167-V173 HydrophobicContact CD2-CG2 3.93Å; F167-V173 HydrophobicContact CE1-CG2 3.91Å; F167-V173 HydrophobicContact CE2-CG2 3.94Å; F167-V173 HydrophobicContact CG-CG2 3.93Å; F167-V173 HydrophobicContact CZ-CG2 3.92Å; F167-I212 HydrophobicContact CE1-CG2 4.43Å; F167-I212 HydrophobicContact CZ-CG2 4.42Å; F167-V215 HydrophobicContact CD2-CG1 4.37Å; F167-V215 HydrophobicContact CE2-CB 3.73Å; F167-V215 HydrophobicContact CE2-CG1 3.4Å; F167-V215 HydrophobicContact CE2-CG2 4.18Å; F167-V215 HydrophobicContact CZ-CB 3.84Å; F167-V215 HydrophobicContact CZ-CG1 3.79Å; F167-L216 HydrophobicContact CE1-CD2 3.78Å; F167-L216 HydrophobicContact CE1-CG 4.33Å; F167-L216 HydrophobicContact CZ-CD2 4.09Å; F167-L216 HydrophobicContact CZ-CG 4.37Å
168	A	92.9	Very high	90.3	Very high	26 Å²	26	57.7 Å²	57.7	22%	0.215	32%	0.323	C	S	.	.	S	Bend	trans	-58.3	-33	-169	0	0	0	0	0	112.9	T148 I149 N151 T166 V172	T148-A168 VanDerWaalsContact O-CB 3.3Å; T148-A168 WeakPolarHBondContact O-CB 3.41Å; I149-A168 PolarHBondContact O-N 2.75Å; N151-A168 WeakPolarHBondContact ND2-CA 3.45Å; N151-A168 WeakPolarHBondContact ND2-CB 3.47Å; T166-A168 PolarHBondContact O-N 3.4Å; A168-V172 HydrophobicContact CB-CG2 4.38Å
169	N	90.2	Very high	91.1	Very high	31 Å²	31	49.7 Å²	49.7	17%	0.166	29%	0.293	C	S	.	.	S	Bend	trans	-154.2	165.6	170.2	66.5	77.9	0	0	0	111.4	F167 K171 V172 F298 L299	F167-N169 PolarHBondContact O-N 3.49Å; F167-N169 VanDerWaalsContact O-N 3.1Å; N169-K171 PolarHBondContact O-N 3.04Å; N169-K171 VanDerWaalsContact O-N 3.07Å; N169-K171 WeakPolarHBondContact OD1-CA 3.09Å; N169-K171 WeakPolarHBondContact OD1-CB 3.36Å; N169-K171 PolarHBondContact OD1-N 3.21Å; N169-V172 WeakPolarHBondContact ND2-CG2 3.43Å; N169-V172 WeakPolarHBondContact O-CG2 3.43Å; N169-V172 PolarHBondContact O-N 3.39Å; N169-V172 PolarHBondContact OD1-N 2.92Å; N169-F298 VanDerWaalsContact ND2-CB 3.33Å; N169-F298 WeakPolarHBondContact ND2-CB 3.11Å; N169-L299 HydrophobicContact CB-CD2 4.27Å
170	G	91.2	Very high	91.8	Very high	83 Å²	83	49.1 Å²	49.1	86%	0.856	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-9.2	-176.5	0	0	0	0	0	116.1
171	K	94.5	Very high	92.5	Very high	105 Å²	105	53.8 Å²	53.8	46%	0.457	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-9.7	179.1	-62.4	-179.9	176.1	-179.8	0	113.5	N169 S174 K175 F298	N169-K171 PolarHBondContact O-N 3.04Å; N169-K171 VanDerWaalsContact O-N 3.07Å; N169-K171 WeakPolarHBondContact OD1-CA 3.09Å; N169-K171 WeakPolarHBondContact OD1-CB 3.36Å; N169-K171 PolarHBondContact OD1-N 3.21Å; K171-S174 PolarHBondContact O-OG 3.35Å; K171-K175 WeakPolarHBondContact O-CB 3.43Å; K171-K175 WeakPolarHBondContact O-CG 3.44Å; K171-K175 PolarHBondContact O-N 3.1Å; K171-F298 VanDerWaalsContact CD-O 3.27Å; K171-F298 WeakPolarHBondContact CD-O 3.44Å
172	V	96.3	Very high	93.2	Very high	0 Å²	0	53 Å²	53	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-58.2	-56.3	-174.8	174.7	0	0	0	0	111	I149 F167 A168 N169 S174 K175 L176 F298	I149-V172 HydrophobicContact CB-CG1 4.47Å; I149-V172 HydrophobicContact CG2-CG1 3.95Å; F167-V172 HydrophobicContact CD1-CB 4.27Å; F167-V172 HydrophobicContact CD1-CG1 3.86Å; F167-V172 HydrophobicContact CE1-CG1 4.46Å; A168-V172 HydrophobicContact CB-CG2 4.38Å; N169-V172 WeakPolarHBondContact ND2-CG2 3.43Å; N169-V172 WeakPolarHBondContact O-CG2 3.43Å; N169-V172 PolarHBondContact O-N 3.39Å; N169-V172 PolarHBondContact OD1-N 2.92Å; V172-S174 PolarHBondContact O-N 2.86Å; V172-K175 PolarHBondContact O-N 2.82Å; V172-L176 HydrophobicContact CG1-CD1 3.8Å; V172-L176 HydrophobicContact CG1-CG 4.36Å; V172-L176 WeakPolarHBondContact O-CG 3.25Å; V172-L176 PolarHBondContact O-N 3.45Å; V172-F298 HydrophobicContact CB-CD1 4.48Å; V172-F298 HydrophobicContact CB-CE1 4.26Å; V172-F298 HydrophobicContact CG1-CE1 4.28Å; V172-F298 HydrophobicContact CG1-CZ 4.36Å; V172-F298 HydrophobicContact CG2-CD1 4.04Å; V172-F298 HydrophobicContact CG2-CD2 4.4Å; V172-F298 HydrophobicContact CG2-CE1 4.07Å; V172-F298 HydrophobicContact CG2-CE2 4.39Å; V172-F298 HydrophobicContact CG2-CG 4.26Å; V172-F298 HydrophobicContact CG2-CZ 4.25Å
173	V	96.6	Very high	94	Very high	30 Å²	30	53.4 Å²	53.4	18%	0.182	31%	0.307	C	S	.	.	H	α-helix	trans	-59.8	-46.8	-176.3	-179.8	0	0	0	0	111.4	F167 K175 R177 V215 L216	F167-V173 HydrophobicContact CD1-CG2 3.92Å; F167-V173 HydrophobicContact CD2-CG2 3.93Å; F167-V173 HydrophobicContact CE1-CG2 3.91Å; F167-V173 HydrophobicContact CE2-CG2 3.94Å; F167-V173 HydrophobicContact CG-CG2 3.93Å; F167-V173 HydrophobicContact CZ-CG2 3.92Å; V173-K175 PolarHBondContact O-N 2.92Å; V173-R177 WeakPolarHBondContact O-CB 3.49Å; V173-R177 WeakPolarHBondContact O-CG 3.43Å; V173-R177 PolarHBondContact O-N 3.39Å; V173-V215 HydrophobicContact CG2-CG1 4.17Å; V173-L216 HydrophobicContact CB-CD2 4.49Å; V173-L216 HydrophobicContact CG1-CD2 4.42Å; V173-L216 HydrophobicContact CG2-CD2 4.21Å
174	S	96.3	Very high	94.7	Very high	69 Å²	69	51.9 Å²	51.9	48%	0.483	29%	0.291	S	S	.	.	H	α-helix	trans	-65	-39.4	-179.9	55.2	0	0	0	0	112.5	K171 V172 Q178	K171-S174 PolarHBondContact O-OG 3.35Å; V172-S174 PolarHBondContact O-N 2.86Å; S174-Q178 WeakPolarHBondContact O-CB 3.36Å; S174-Q178 PolarHBondContact O-N 3.12Å
175	K	97	Very high	95.2	Very high	65 Å²	65	52.2 Å²	52.2	28%	0.283	29%	0.293	S	S	.	.	H	α-helix	trans	-69.4	-43	178.6	-78.3	-167	171.4	179.9	0	112.3	K171 V172 V173 R177 Q178 L179 F297 F298	K171-K175 WeakPolarHBondContact O-CB 3.43Å; K171-K175 WeakPolarHBondContact O-CG 3.44Å; K171-K175 PolarHBondContact O-N 3.1Å; V172-K175 PolarHBondContact O-N 2.82Å; V173-K175 PolarHBondContact O-N 2.92Å; K175-R177 VanDerWaalsContact C-N 3.33Å; K175-R177 PolarHBondContact O-N 2.73Å; K175-Q178 PolarHBondContact O-N 3.38Å; K175-L179 VanDerWaalsContact O-CG 3.31Å; K175-L179 WeakPolarHBondContact O-CG 3.32Å; K175-L179 PolarHBondContact O-N 3.4Å; K175-F297 HydrophobicContact CD-CE1 4.21Å; K175-F297 PolarHBondContact NZ-O 3.37Å; K175-F298 HydrophobicContact CB-CD1 4.19Å; K175-F298 HydrophobicContact CB-CE1 4.16Å; K175-F298 HydrophobicContact CD-CD1 3.79Å; K175-F298 HydrophobicContact CD-CE1 4.45Å; K175-F298 HydrophobicContact CG-CD1 4.45Å; K175-F298 VanDerWaalsContact NZ-C 3.32Å; K175-F298 PolarHBondContact NZ-O 2.96Å
176	L	97.3	Very high	95.4	Very high	0 Å²	0	51 Å²	51	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-62.7	-41.3	176.8	-67	178.3	0	0	0	111.6	F143 I149 V172 L179 S180 V186 L216 I218	F143-L176 HydrophobicContact CD1-CD2 4.34Å; F143-L176 HydrophobicContact CD2-CD2 3.88Å; F143-L176 HydrophobicContact CE1-CD2 3.92Å; F143-L176 HydrophobicContact CE2-CD2 3.38Å; F143-L176 HydrophobicContact CG-CD2 4.35Å; F143-L176 HydrophobicContact CZ-CD2 3.44Å; F143-L176 VanDerWaalsContact CZ-CD2 3.44Å; I149-L176 HydrophobicContact CD1-CD1 4.32Å; I149-L176 HydrophobicContact CG1-CD1 4.43Å; I149-L176 HydrophobicContact CG2-CD1 4.38Å; V172-L176 HydrophobicContact CG1-CD1 3.8Å; V172-L176 HydrophobicContact CG1-CG 4.36Å; V172-L176 WeakPolarHBondContact O-CG 3.25Å; V172-L176 PolarHBondContact O-N 3.45Å; L176-L179 HydrophobicContact CD2-CD1 4.3Å; L176-L179 PolarHBondContact O-N 2.91Å; L176-S180 PolarHBondContact O-N 3.07Å; L176-S180 VanDerWaalsContact O-N 3.09Å; L176-V186 HydrophobicContact CD2-CG1 4.11Å; L176-L216 HydrophobicContact CB-CD2 4.4Å; L176-L216 HydrophobicContact CD1-CD1 4.01Å; L176-L216 HydrophobicContact CD1-CD2 3.69Å; L176-I218 HydrophobicContact CB-CD1 3.96Å; L176-I218 WeakPolarHBondContact O-CD1 3.08Å
177	R	96.7	Very high	95.7	Very high	91 Å²	91	47.9 Å²	47.9	34%	0.343	27%	0.27	S	S	.	.	H	α-helix	trans	-60.9	-43.6	173.1	-74.8	173.9	179.7	-174.7	1.9	112.8	V173 K175 S180 K181 V215 L216 I218	V173-R177 WeakPolarHBondContact O-CB 3.49Å; V173-R177 WeakPolarHBondContact O-CG 3.43Å; V173-R177 PolarHBondContact O-N 3.39Å; K175-R177 VanDerWaalsContact C-N 3.33Å; K175-R177 PolarHBondContact O-N 2.73Å; R177-S180 PolarHBondContact O-N 3.13Å; R177-K181 PolarHBondContact O-N 2.95Å; R177-K181 VanDerWaalsContact O-N 3.07Å; R177-V215 PolarHBondContact NH2-O 3.44Å; R177-L216 WeakPolarHBondContact CG-O 3.39Å; R177-L216 PolarHBondContact NE-O 2.97Å; R177-I218 HydrophobicContact CB-CG2 4.3Å; R177-I218 HydrophobicContact CG-CG2 3.72Å
178	Q	96.9	Very high	95.8	Very high	90 Å²	90	46.2 Å²	46.2	42%	0.421	26%	0.262	S	S	.	.	H	α-helix	trans	-63.6	-45	177.9	-176.1	57.6	45.3	0	0	111.7	S174 K175 S180 K181 D182	S174-Q178 WeakPolarHBondContact O-CB 3.36Å; S174-Q178 PolarHBondContact O-N 3.12Å; K175-Q178 PolarHBondContact O-N 3.38Å; Q178-S180 PolarHBondContact O-N 2.98Å; Q178-K181 CarbonylContact O-C 2.98Å; Q178-K181 WeakPolarHBondContact O-CB 3.38Å; Q178-K181 PolarHBondContact O-N 2.87Å; Q178-K181 VanDerWaalsContact O-N 3.13Å; Q178-D182 WeakPolarHBondContact CG-OD2 3.39Å; Q178-D182 PolarHBondContact NE2-OD1 3.4Å; Q178-D182 PolarHBondContact NE2-OD2 2.96Å; Q178-D182 WeakPolarHBondContact O-CB 3.5Å; Q178-D182 PolarHBondContact O-N 3.16Å
179	L	97.2	Very high	96.1	Very high	17 Å²	17	45 Å²	45	9%	0.089	25%	0.252	C	S	.	.	H	α-helix	trans	-58.7	-46.1	176.9	-72.3	165.4	0	0	0	112.3	A141 F143 K175 L176 K181 D182 G183 F184 V186 F258 F297	A141-L179 HydrophobicContact CB-CD1 3.92Å; A141-L179 HydrophobicContact CB-CD2 4.36Å; F143-L179 HydrophobicContact CE2-CD1 4.12Å; F143-L179 HydrophobicContact CZ-CD1 3.6Å; K175-L179 VanDerWaalsContact O-CG 3.31Å; K175-L179 WeakPolarHBondContact O-CG 3.32Å; K175-L179 PolarHBondContact O-N 3.4Å; L176-L179 HydrophobicContact CD2-CD1 4.3Å; L176-L179 PolarHBondContact O-N 2.91Å; L179-K181 VanDerWaalsContact C-N 3.29Å; L179-K181 PolarHBondContact O-N 3.01Å; L179-D182 CarbonylContact O-C 3.5Å; L179-D182 PolarHBondContact O-N 3.46Å; L179-D182 VanDerWaalsContact O-N 3.08Å; L179-G183 PolarHBondContact O-N 3.4Å; L179-F184 HydrophobicContact CB-CB 4.14Å; L179-F184 HydrophobicContact CB-CD2 4.44Å; L179-F184 HydrophobicContact CB-CG 4.44Å; L179-F184 HydrophobicContact CD2-CD1 4.43Å; L179-F184 HydrophobicContact CD2-CD2 3.85Å; L179-F184 HydrophobicContact CD2-CE2 4.05Å; L179-F184 HydrophobicContact CD2-CG 4.06Å; L179-F184 HydrophobicContact CD2-CZ 4.42Å; L179-F184 WeakPolarHBondContact O-CB 3.34Å; L179-F184 PolarHBondContact O-N 2.66Å; L179-V186 HydrophobicContact CB-CG2 4.39Å; L179-F258 HydrophobicContact CD1-CZ 4.15Å; L179-F258 HydrophobicContact CD2-CE1 4.27Å; L179-F258 HydrophobicContact CD2-CZ 3.89Å; L179-F297 HydrophobicContact CD1-CE1 4.24Å; L179-F297 HydrophobicContact CD1-CZ 3.91Å; L179-F297 HydrophobicContact CD2-CZ 4.48Å
180	S	95	Very high	96.5	Very high	34 Å²	34	43.6 Å²	43.6	24%	0.238	25%	0.245	C	C	.	.	H	α-helix	trans	-59.3	-41.9	175.8	177	0	0	0	0	111.5	L176 R177 Q178 D182 G183	L176-S180 PolarHBondContact O-N 3.07Å; L176-S180 VanDerWaalsContact O-N 3.09Å; R177-S180 PolarHBondContact O-N 3.13Å; Q178-S180 PolarHBondContact O-N 2.98Å; S180-D182 VanDerWaalsContact C-N 3.31Å; S180-D182 PolarHBondContact O-N 3.48Å; S180-G183 PolarHBondContact O-N 2.75Å
181	K	95	Very high	96.8	Very high	171 Å²	171	41.1 Å²	41.1	74%	0.743	21%	0.212	S	C	*	.	H	α-helix	trans	-64.4	-33.6	174.1	-174.2	179.4	176.9	-176.8	0	113	R177 Q178 L179 G183	R177-K181 PolarHBondContact O-N 2.95Å; R177-K181 VanDerWaalsContact O-N 3.07Å; Q178-K181 CarbonylContact O-C 2.98Å; Q178-K181 WeakPolarHBondContact O-CB 3.38Å; Q178-K181 PolarHBondContact O-N 2.87Å; Q178-K181 VanDerWaalsContact O-N 3.13Å; L179-K181 VanDerWaalsContact C-N 3.29Å; L179-K181 PolarHBondContact O-N 3.01Å; K181-G183 PolarHBondContact O-N 3.33Å
182	D	95.8	Very high	96.8	Very high	77 Å²	77	36.8 Å²	36.8	41%	0.412	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	9	179	-64.6	-25	0	0	0	113.5	Q178 L179 S180 F184	Q178-D182 WeakPolarHBondContact CG-OD2 3.39Å; Q178-D182 PolarHBondContact NE2-OD1 3.4Å; Q178-D182 PolarHBondContact NE2-OD2 2.96Å; Q178-D182 WeakPolarHBondContact O-CB 3.5Å; Q178-D182 PolarHBondContact O-N 3.16Å; L179-D182 CarbonylContact O-C 3.5Å; L179-D182 PolarHBondContact O-N 3.46Å; L179-D182 VanDerWaalsContact O-N 3.08Å; S180-D182 VanDerWaalsContact C-N 3.31Å; S180-D182 PolarHBondContact O-N 3.48Å; D182-F184 HydrophobicContact CB-CD2 4.03Å; D182-F184 HydrophobicContact CB-CE2 4.23Å
183	G	94.1	Very high	96.7	Very high	42 Å²	42	41.6 Å²	41.6	43%	0.433	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.1	13.8	175.5	0	0	0	0	0	114.5	S137 L179 S180 K181	S137-G183 PolarHBondContact OG-O 3.48Å; L179-G183 PolarHBondContact O-N 3.4Å; S180-G183 PolarHBondContact O-N 2.75Å; K181-G183 PolarHBondContact O-N 3.33Å
184	F	97.1	Very high	96.4	Very high	20 Å²	20	41.1 Å²	41.1	9%	0.088	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-78.6	135	171.7	-71.5	-101.3	0	0	0	110.8	K139 A141 L179 D182 V186 W256 F258	K139-F184 HydrophobicContact CB-CD1 3.66Å; K139-F184 HydrophobicContact CB-CE1 3.83Å; K139-F184 HydrophobicContact CB-CG 4.04Å; K139-F184 HydrophobicContact CB-CZ 4.33Å; K139-F184 HydrophobicContact CD-CD2 4.44Å; K139-F184 HydrophobicContact CD-CE1 4.39Å; K139-F184 HydrophobicContact CD-CE2 4.09Å; K139-F184 HydrophobicContact CD-CZ 4.07Å; K139-F184 HydrophobicContact CG-CE1 4.49Å; K139-F184 WeakPolarHBondContact O-CA 3.46Å; A141-F184 HydrophobicContact CB-CB 3.91Å; A141-F184 HydrophobicContact CB-CD1 3.77Å; A141-F184 HydrophobicContact CB-CG 4.12Å; L179-F184 HydrophobicContact CB-CB 4.14Å; L179-F184 HydrophobicContact CB-CD2 4.44Å; L179-F184 HydrophobicContact CB-CG 4.44Å; L179-F184 HydrophobicContact CD2-CD1 4.43Å; L179-F184 HydrophobicContact CD2-CD2 3.85Å; L179-F184 HydrophobicContact CD2-CE2 4.05Å; L179-F184 HydrophobicContact CD2-CG 4.06Å; L179-F184 HydrophobicContact CD2-CZ 4.42Å; L179-F184 WeakPolarHBondContact O-CB 3.34Å; L179-F184 PolarHBondContact O-N 2.66Å; D182-F184 HydrophobicContact CB-CD2 4.03Å; D182-F184 HydrophobicContact CB-CE2 4.23Å; F184-V186 PolarHBondContact O-N 3.24Å; F184-W256 WeakPolarHBondContact CE1-O 3.49Å; F184-W256 HydrophobicContact CZ-CE3 4.27Å; F184-F258 HydrophobicContact CD1-CE1 4.13Å; F184-F258 HydrophobicContact CE1-CD1 4.23Å; F184-F258 AromaticContact CE1-CE1 3.64Å; F184-F258 HydrophobicContact CE1-CE1 3.64Å; F184-F258 HydrophobicContact CZ-CE1 4.25Å
185	N	96.9	Very high	96.3	Very high	16 Å²	16	38.7 Å²	38.7	9%	0.086	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	118.3	159.8	-86	-7.6	0	0	0	109.4	T135 S137 K139 I140 A141 Y242 N247	T135-N185 PolarHBondContact O-ND2 2.97Å; T135-N185 PolarHBondContact O-OD1 2.89Å; T135-N185 VanDerWaalsContact O-OD1 3.13Å; S137-N185 WeakPolarHBondContact CB-ND2 3.05Å; S137-N185 PolarHBondContact N-ND2 3.35Å; K139-N185 PolarHBondContact O-N 2.8Å; I140-N185 HydrophobicContact CD1-CB 3.93Å; A141-N185 PolarHBondContact N-O 2.94Å; N185-Y242 VanDerWaalsContact CB-OH 3.23Å; N185-Y242 WeakPolarHBondContact CB-OH 3.29Å; N185-Y242 PolarHBondContact ND2-OH 3.15Å; N185-N247 PolarHBondContact ND2-OD1 3.14Å; N185-N247 VanDerWaalsContact ND2-OD1 3.14Å
186	V	97.9	Very high	96.1	Very high	3 Å²	3	38.5 Å²	38.5	2%	0.018	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	121.5	174.7	178.9	0	0	0	0	108.9	A141 F143 L176 L179 F184 I218 F220 V221	A141-V186 WeakPolarHBondContact O-CA 3.43Å; F143-V186 HydrophobicContact CD2-CG1 4.23Å; F143-V186 HydrophobicContact CE2-CG1 4.24Å; L176-V186 HydrophobicContact CD2-CG1 4.11Å; L179-V186 HydrophobicContact CB-CG2 4.39Å; F184-V186 PolarHBondContact O-N 3.24Å; V186-I218 HydrophobicContact CB-CD1 4.34Å; V186-I218 HydrophobicContact CG1-CD1 4.4Å; V186-I218 HydrophobicContact CG2-CD1 4.02Å; V186-F220 HydrophobicContact CB-CB 4.05Å; V186-F220 HydrophobicContact CG1-CB 4.04Å; V186-F220 VanDerWaalsContact O-CA 3.26Å; V186-F220 WeakPolarHBondContact O-CA 3.39Å; V186-F220 VanDerWaalsContact O-CB 3.28Å; V186-F220 WeakPolarHBondContact O-CB 3.39Å; V186-V221 PolarHBondContact O-N 2.78Å
187	V	98.4	Very high	95.8	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	139.6	-178.1	-168.8	0	0	0	0	110	I140 A141 A142 F143 F189 V221 Y223 Y242	I140-V187 HydrophobicContact CG2-CG2 3.99Å; A141-V187 PolarHBondContact O-N 3Å; A142-V187 CarbonylContact C-O 3.58Å; A142-V187 VanDerWaalsContact CA-O 3.24Å; A142-V187 WeakPolarHBondContact CA-O 3.44Å; A142-V187 HydrophobicContact CB-CB 4.39Å; F143-V187 PolarHBondContact N-O 3.49Å; V187-F189 HydrophobicContact CB-CE2 4.21Å; V187-F189 HydrophobicContact CB-CZ 4.44Å; V187-F189 HydrophobicContact CG1-CD2 4.25Å; V187-F189 HydrophobicContact CG1-CE1 3.96Å; V187-F189 HydrophobicContact CG1-CE2 3.64Å; V187-F189 HydrophobicContact CG1-CZ 3.47Å; V187-F189 VanDerWaalsContact CG1-CZ 3.47Å; V187-V221 CarbonylContact C-O 3.58Å; V187-V221 WeakPolarHBondContact CA-O 3.31Å; V187-Y223 HydrophobicContact CG1-CD2 4.2Å; V187-Y242 HydrophobicContact CG1-CD2 4.14Å; V187-Y242 HydrophobicContact CG1-CE2 4.39Å; V187-Y242 HydrophobicContact CG1-CG 4.32Å; V187-Y242 HydrophobicContact CG2-CD1 4.43Å; V187-Y242 HydrophobicContact CG2-CD2 4.06Å; V187-Y242 HydrophobicContact CG2-CE1 3.91Å; V187-Y242 HydrophobicContact CG2-CE2 3.5Å; V187-Y242 VanDerWaalsContact CG2-CE2 3.5Å; V187-Y242 HydrophobicContact CG2-CG 4.49Å; V187-Y242 VanDerWaalsContact CG2-CZ 3.41Å
188	I	98.7	Very high	95.5	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	129	176.1	-56.8	175	0	0	0	108.5	F143 L145 I149 F220 V221 C222 Y223	F143-I188 CarbonylContact O-C 3.5Å; F143-I188 VanDerWaalsContact O-CA 3.26Å; F143-I188 WeakPolarHBondContact O-CA 3Å; L145-I188 HydrophobicContact CB-CG2 3.9Å; L145-I188 HydrophobicContact CD1-CG2 4.45Å; I149-I188 HydrophobicContact CD1-CD1 3.55Å; I149-I188 HydrophobicContact CD1-CG1 3.65Å; I188-F220 HydrophobicContact CD1-CD2 3.93Å; I188-F220 HydrophobicContact CD1-CE2 3.93Å; I188-F220 HydrophobicContact CG1-CD2 4.42Å; I188-V221 PolarHBondContact N-O 3.25Å; I188-C222 HydrophobicContact CB-CB 3.98Å; I188-C222 CarbonylContact O-C 3.56Å; I188-C222 WeakPolarHBondContact O-CA 3.4Å; I188-Y223 PolarHBondContact O-N 3.37Å
189	F	98.8	Very high	95	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	111.4	174.9	-67.6	-64.5	0	0	0	109.3	A142 F143 V187 Y223 K233 M238 W239 Y242 F259 F283	A142-F189 HydrophobicContact CB-CD2 3.99Å; A142-F189 HydrophobicContact CB-CE2 3.86Å; F143-F189 PolarHBondContact O-N 2.86Å; V187-F189 HydrophobicContact CB-CE2 4.21Å; V187-F189 HydrophobicContact CB-CZ 4.44Å; V187-F189 HydrophobicContact CG1-CD2 4.25Å; V187-F189 HydrophobicContact CG1-CE1 3.96Å; V187-F189 HydrophobicContact CG1-CE2 3.64Å; V187-F189 HydrophobicContact CG1-CZ 3.47Å; V187-F189 VanDerWaalsContact CG1-CZ 3.47Å; F189-Y223 HydrophobicContact CD1-CD2 4.2Å; F189-Y223 HydrophobicContact CD1-CG 4.12Å; F189-Y223 AromaticContact CE1-CD2 3.65Å; F189-Y223 HydrophobicContact CE1-CD2 3.65Å; F189-Y223 HydrophobicContact CE1-CE2 4.4Å; F189-Y223 AromaticContact CE1-CG 3.86Å; F189-Y223 HydrophobicContact CE1-CG 3.86Å; F189-Y223 HydrophobicContact CZ-CD2 4.48Å; F189-K233 HydrophobicContact CB-CD 4.22Å; F189-K233 WeakPolarHBondContact O-CE 3.35Å; F189-K233 PolarHBondContact O-NZ 2.7Å; F189-M238 HydrophobicContact CB-CE 3.86Å; F189-M238 HydrophobicContact CD1-CB 3.45Å; F189-M238 VanDerWaalsContact CD1-CB 3.45Å; F189-M238 HydrophobicContact CD1-CE 4.21Å; F189-M238 HydrophobicContact CD1-CG 4.37Å; F189-M238 HydrophobicContact CD1-SD 4.18Å; F189-M238 HydrophobicContact CE1-CB 3.67Å; F189-M238 WeakPolarHBondContact CE1-O 3.35Å; F189-M238 HydrophobicContact CG-CE 4.48Å; F189-W239 AromaticContact CE2-CE3 3.74Å; F189-W239 HydrophobicContact CE2-CE3 3.74Å; F189-W239 HydrophobicContact CE2-CZ3 4.19Å; F189-W239 AromaticContact CZ-CE3 3.82Å; F189-W239 HydrophobicContact CZ-CE3 3.82Å; F189-W239 HydrophobicContact CZ-CZ3 4.46Å; F189-Y242 HydrophobicContact CZ-CD1 4.33Å; F189-Y242 HydrophobicContact CZ-CG 4.16Å; F189-F259 HydrophobicContact CB-CE2 4.05Å; F189-F259 HydrophobicContact CB-CZ 4.38Å; F189-F259 HydrophobicContact CD2-CD2 4.32Å; F189-F259 AromaticContact CD2-CE2 3.88Å; F189-F259 HydrophobicContact CD2-CE2 3.88Å; F189-F259 HydrophobicContact CG-CE2 4.46Å; F189-F283 HydrophobicContact CB-CE1 4.34Å; F189-F283 HydrophobicContact CB-CZ 4.32Å; F189-F283 HydrophobicContact CD1-CZ 4.25Å; F189-F283 AromaticContact CD2-CE1 3.65Å; F189-F283 HydrophobicContact CD2-CE1 3.65Å; F189-F283 AromaticContact CD2-CZ 3.8Å; F189-F283 HydrophobicContact CD2-CZ 3.8Å; F189-F283 HydrophobicContact CE2-CE1 4.16Å; F189-F283 HydrophobicContact CE2-CZ 4.15Å; F189-F283 HydrophobicContact CG-CE1 4.04Å; F189-F283 AromaticContact CG-CZ 3.87Å; F189-F283 HydrophobicContact CG-CZ 3.87Å
190	T	98.5	Very high	94.6	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.012	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	140.9	-173.2	-176.1	0	0	0	0	112.9	L145 Q192 F205 Y223 T224 S225	L145-T190 HydrophobicContact CB-CG2 4.36Å; L145-T190 HydrophobicContact CD2-CG2 4.29Å; T190-Q192 HydrophobicContact CG2-CG 4.08Å; T190-Q192 PolarHBondContact OG1-NE2 3.09Å; T190-F205 HydrophobicContact CG2-CZ 3.99Å; T190-Y223 PolarHBondContact N-O 3.34Å; T190-T224 HydrophobicContact CG2-CG2 4.06Å; T190-T224 WeakPolarHBondContact O-CA 2.92Å; T190-S225 PolarHBondContact O-N 3.02Å
191	N	97.4	Very high	94.5	Very high	31 Å²	31	48.3 Å²	48.3	17%	0.166	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	101.2	179.3	-80	3.9	0	0	0	110.3	R232 K233 E496	N191-R232 VanDerWaalsContact ND2-CG 3.35Å; N191-R232 WeakPolarHBondContact ND2-CG 3.44Å; N191-K233 WeakPolarHBondContact ND2-CB 3.39Å; N191-K233 PolarHBondContact ND2-N 2.84Å; N191-K233 PolarHBondContact ND2-O 2.87Å; N191-K233 VanDerWaalsContact ND2-O 3.1Å; N191-K233 PolarHBondContact OD1-N 2.72Å; N191-E496 PolarHBondContact ND2-OE1 3.47Å
192	Q	95.5	Very high	94.5	Very high	14 Å²	14	42.4 Å²	42.4	7%	0.065	25%	0.245	C	C	.	.			trans	-114.2	58.6	-175.7	-61.1	-64	-20.4	0	0	112.8	D146 T190 G194 I195 F205 T224 S225	D146-Q192 PolarHBondContact OD2-NE2 3.19Å; T190-Q192 HydrophobicContact CG2-CG 4.08Å; T190-Q192 PolarHBondContact OG1-NE2 3.09Å; Q192-G194 PolarHBondContact O-N 2.97Å; Q192-I195 HydrophobicContact CB-CD1 3.66Å; Q192-I195 HydrophobicContact CB-CG1 4.05Å; Q192-I195 HydrophobicContact CG-CD1 4.4Å; Q192-I195 WeakPolarHBondContact O-CB 3.44Å; Q192-I195 PolarHBondContact O-N 3.27Å; Q192-F205 HydrophobicContact CG-CD2 4.21Å; Q192-F205 HydrophobicContact CG-CE1 4.39Å; Q192-F205 HydrophobicContact CG-CE2 3.59Å; Q192-F205 HydrophobicContact CG-CZ 3.71Å; Q192-T224 HydrophobicContact CB-CG2 3.63Å; Q192-T224 HydrophobicContact CG-CG2 3.51Å; Q192-S225 CarbonylContact C-O 3.58Å; Q192-S225 WeakPolarHBondContact CA-O 3.48Å; Q192-S225 PolarHBondContact N-O 2.74Å
193	K	92.9	Very high	94.4	Very high	101 Å²	101	44.8 Å²	44.8	44%	0.439	25%	0.254	S	S	.	.	H	α-helix	trans	-56.9	-22.7	175.7	-171.4	174.3	-179	173.6	0	112.9	I195 S196 S197 T226	K193-I195 PolarHBondContact O-N 3.13Å; K193-S196 PolarHBondContact O-N 2.74Å; K193-S196 PolarHBondContact O-OG 2.74Å; K193-S197 WeakPolarHBondContact O-CB 3.33Å; K193-S197 PolarHBondContact O-N 2.99Å; K193-S197 VanDerWaalsContact O-N 3.16Å; K193-S197 PolarHBondContact O-OG 3.13Å; K193-S197 VanDerWaalsContact O-OG 3.12Å; K193-T226 WeakPolarHBondContact CA-O 3.32Å
194	G	91.9	Very high	94.3	Very high	21 Å²	21	46.9 Å²	46.9	22%	0.216	25%	0.252	C	S	.	.	H	α-helix	trans	-51.2	-36.9	172.9	0	0	0	0	0	113.1	Q192 S197 G198 R199 M200	Q192-G194 PolarHBondContact O-N 2.97Å; G194-S197 WeakPolarHBondContact CA-OG 3.5Å; G194-S197 PolarHBondContact O-N 3.47Å; G194-S197 PolarHBondContact O-OG 3.42Å; G194-G198 PolarHBondContact O-N 2.97Å; G194-R199 PolarHBondContact O-N 2.69Å; G194-M200 PolarHBondContact O-N 3.1Å
195	I	93.3	Very high	94.1	Very high	18 Å²	18	46 Å²	46	9%	0.092	25%	0.248	C	C	.	.	H	α-helix	trans	-64.9	-57.6	-178.4	-61.2	173.6	0	0	0	110.9	L127 Q192 K193 S197 G198 M200 E202 F205 T224 T226	L127-I195 HydrophobicContact CD1-CD1 4.08Å; Q192-I195 HydrophobicContact CB-CD1 3.66Å; Q192-I195 HydrophobicContact CB-CG1 4.05Å; Q192-I195 HydrophobicContact CG-CD1 4.4Å; Q192-I195 WeakPolarHBondContact O-CB 3.44Å; Q192-I195 PolarHBondContact O-N 3.27Å; K193-I195 PolarHBondContact O-N 3.13Å; I195-S197 PolarHBondContact O-N 3.4Å; I195-G198 PolarHBondContact O-N 3.36Å; I195-G198 VanDerWaalsContact O-N 3.11Å; I195-M200 WeakPolarHBondContact CA-O 3.48Å; I195-M200 HydrophobicContact CG1-CB 4.5Å; I195-M200 HydrophobicContact CG1-CG 4.48Å; I195-E202 HydrophobicContact CG2-CB 4.05Å; I195-E202 HydrophobicContact CG2-CG 4.26Å; I195-F205 HydrophobicContact CD1-CB 4.11Å; I195-F205 HydrophobicContact CD1-CD1 3.81Å; I195-F205 HydrophobicContact CD1-CE1 4.42Å; I195-F205 HydrophobicContact CD1-CG 3.89Å; I195-T224 HydrophobicContact CD1-CG2 4.1Å; I195-T226 HydrophobicContact CB-CG2 4.18Å; I195-T226 HydrophobicContact CD1-CG2 4.12Å; I195-T226 HydrophobicContact CG2-CG2 4.15Å
196	S	92.1	Very high	94	Very high	60 Å²	60	46.7 Å²	46.7	42%	0.42	25%	0.251	S	S	.	.	H	α-helix	trans	-66.9	-24.4	-179.7	66.2	0	0	0	0	113.9	K193 G198 T226	K193-S196 PolarHBondContact O-N 2.74Å; K193-S196 PolarHBondContact O-OG 2.74Å; S196-G198 VanDerWaalsContact C-N 3.31Å; S196-T226 WeakPolarHBondContact CB-O 3.46Å; S196-T226 PolarHBondContact OG-O 3.34Å
197	S	90.7	Very high	93.8	Very high	58 Å²	58	49.3 Å²	49.3	41%	0.406	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-3.2	176.3	70.7	0	0	0	0	114.5	K193 G194 I195 R199	K193-S197 WeakPolarHBondContact O-CB 3.33Å; K193-S197 PolarHBondContact O-N 2.99Å; K193-S197 VanDerWaalsContact O-N 3.16Å; K193-S197 PolarHBondContact O-OG 3.13Å; K193-S197 VanDerWaalsContact O-OG 3.12Å; G194-S197 WeakPolarHBondContact CA-OG 3.5Å; G194-S197 PolarHBondContact O-N 3.47Å; G194-S197 PolarHBondContact O-OG 3.42Å; I195-S197 PolarHBondContact O-N 3.4Å; S197-R199 PolarHBondContact O-N 3.21Å; S197-R199 WeakPolarHBondContact OG-CG 3.36Å
198	G	90.5	Very high	93.5	Very high	67 Å²	67	50 Å²	50	69%	0.691	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.7	7.4	-177.6	0	0	0	0	0	115	G194 I195 S196	G194-G198 PolarHBondContact O-N 2.97Å; I195-G198 PolarHBondContact O-N 3.36Å; I195-G198 VanDerWaalsContact O-N 3.11Å; S196-G198 VanDerWaalsContact C-N 3.31Å
199	R	88.1	Confident	93.3	Very high	221 Å²	221	50 Å²	50	83%	0.834	27%	0.273	S	S	*	.	S	Bend	trans	-80.9	-17.9	178.9	-64.6	179.7	-171.3	179.3	1.3	113.3	G194 S197	G194-R199 PolarHBondContact O-N 2.69Å; S197-R199 PolarHBondContact O-N 3.21Å; S197-R199 WeakPolarHBondContact OG-CG 3.36Å
200	M	88.7	Confident	93.1	Very high	34 Å²	34	52.2 Å²	52.2	17%	0.167	28%	0.283	C	S	.	.	S	Bend	trans	-137.5	116	176.9	179.1	175.2	-71.3	0	0	108.1	P159 G194 I195 F205	P159-M200 HydrophobicContact CG-CE 3.97Å; G194-M200 PolarHBondContact O-N 3.1Å; I195-M200 WeakPolarHBondContact CA-O 3.48Å; I195-M200 HydrophobicContact CG1-CB 4.5Å; I195-M200 HydrophobicContact CG1-CG 4.48Å; M200-F205 HydrophobicContact CG-CB 4.45Å; M200-F205 HydrophobicContact SD-CB 4.07Å; M200-F205 HydrophobicContact SD-CD2 3.85Å; M200-F205 HydrophobicContact SD-CG 4.33Å
201	P	92.2	Very high	92.9	Very high	58 Å²	58	58.1 Å²	58.1	38%	0.377	31%	0.305	S	S	.	.			trans	-58.8	138.3	174.4	-23.8	35	0	0	0	111.1	E203 E204 F205	P201-E203 VanDerWaalsContact C-N 3.31Å; P201-E203 PolarHBondContact O-N 3.02Å; P201-E204 HydrophobicContact CB-CB 4.28Å; P201-E204 HydrophobicContact CB-CG 4.05Å; P201-E204 HydrophobicContact CG-CG 4.23Å; P201-E204 PolarHBondContact O-N 3.25Å; P201-F205 PolarHBondContact O-N 3.49Å
202	E	94.2	Very high	92.7	Very high	47 Å²	47	56.6 Å²	56.6	22%	0.22	30%	0.297	C	S	.	.	H	α-helix	trans	-62.2	-42.2	-178.1	-172.6	177	122.9	0	0	110.9	K122 L127 I195 E204 F205 Q206	K122-E202 VanDerWaalsContact CD-OE1 3.27Å; K122-E202 WeakPolarHBondContact CD-OE1 3.38Å; K122-E202 WeakPolarHBondContact CE-OE1 3.3Å; K122-E202 IonicContact NZ-OE1 3.65Å; K122-E202 PolarHBondContact NZ-OE1 2.9Å; L127-E202 HydrophobicContact CD1-CG 3.73Å; I195-E202 HydrophobicContact CG2-CB 4.05Å; I195-E202 HydrophobicContact CG2-CG 4.26Å; E202-E204 VanDerWaalsContact C-N 3.31Å; E202-E204 PolarHBondContact O-N 2.87Å; E202-F205 WeakPolarHBondContact O-CB 3.23Å; E202-F205 PolarHBondContact O-N 2.77Å; E202-F205 VanDerWaalsContact O-N 3.11Å; E202-Q206 HydrophobicContact CG-CG 4.38Å; E202-Q206 WeakPolarHBondContact O-CG 3.36Å; E202-Q206 PolarHBondContact O-N 3.29Å
203	E	93.4	Very high	92.6	Very high	128 Å²	128	56 Å²	56	60%	0.598	29%	0.294	S	S	*	.	H	α-helix	trans	-62.4	-37.1	-178.4	-62.6	71.3	-155.6	0	0	112.1	P201 Q206 S207	P201-E203 VanDerWaalsContact C-N 3.31Å; P201-E203 PolarHBondContact O-N 3.02Å; E203-Q206 PolarHBondContact O-N 2.69Å; E203-S207 WeakPolarHBondContact O-CB 3.19Å; E203-S207 PolarHBondContact O-N 2.72Å
204	E	92.1	Very high	92.6	Very high	85 Å²	85	55 Å²	55	40%	0.397	29%	0.294	S	S	.	.	H	α-helix	trans	-65.2	-42.5	174.9	-73.7	-172.9	-165.7	0	0	111.2	A162 P201 E202 S207 K208	A162-E204 HydrophobicContact CB-CB 3.98Å; A162-E204 HydrophobicContact CB-CG 3.99Å; P201-E204 HydrophobicContact CB-CB 4.28Å; P201-E204 HydrophobicContact CB-CG 4.05Å; P201-E204 HydrophobicContact CG-CG 4.23Å; P201-E204 PolarHBondContact O-N 3.25Å; E202-E204 VanDerWaalsContact C-N 3.31Å; E202-E204 PolarHBondContact O-N 2.87Å; E204-S207 PolarHBondContact O-N 3.32Å; E204-K208 WeakPolarHBondContact O-CB 3.41Å; E204-K208 PolarHBondContact O-N 3.41Å
205	F	93.8	Very high	92.6	Very high	2 Å²	2	56.3 Å²	56.3	1%	0.009	30%	0.297	C	S	.	.	H	α-helix	trans	-65.4	-41.8	175.9	-177.9	-99.2	0	0	0	112	L145 T190 Q192 I195 M200 P201 E202 K208 L209 T224	L145-F205 HydrophobicContact CD2-CE2 3.85Å; L145-F205 HydrophobicContact CD2-CZ 4.03Å; T190-F205 HydrophobicContact CG2-CZ 3.99Å; Q192-F205 HydrophobicContact CG-CD2 4.21Å; Q192-F205 HydrophobicContact CG-CE1 4.39Å; Q192-F205 HydrophobicContact CG-CE2 3.59Å; Q192-F205 HydrophobicContact CG-CZ 3.71Å; I195-F205 HydrophobicContact CD1-CB 4.11Å; I195-F205 HydrophobicContact CD1-CD1 3.81Å; I195-F205 HydrophobicContact CD1-CE1 4.42Å; I195-F205 HydrophobicContact CD1-CG 3.89Å; M200-F205 HydrophobicContact CG-CB 4.45Å; M200-F205 HydrophobicContact SD-CB 4.07Å; M200-F205 HydrophobicContact SD-CD2 3.85Å; M200-F205 HydrophobicContact SD-CG 4.33Å; P201-F205 PolarHBondContact O-N 3.49Å; E202-F205 WeakPolarHBondContact O-CB 3.23Å; E202-F205 PolarHBondContact O-N 2.77Å; E202-F205 VanDerWaalsContact O-N 3.11Å; F205-K208 WeakPolarHBondContact O-CB 3.44Å; F205-K208 PolarHBondContact O-N 3.37Å; F205-L209 HydrophobicContact CD1-CD1 4.1Å; F205-L209 HydrophobicContact CE1-CD1 3.32Å; F205-L209 HydrophobicContact CE1-CG 4.18Å; F205-L209 HydrophobicContact CZ-CD1 3.61Å; F205-L209 HydrophobicContact CZ-CG 4.14Å; F205-L209 PolarHBondContact O-N 2.96Å; F205-L209 VanDerWaalsContact O-N 3.11Å; F205-T224 HydrophobicContact CD1-CG2 4.26Å; F205-T224 HydrophobicContact CE1-CG2 3.47Å; F205-T224 VanDerWaalsContact CE1-CG2 3.47Å; F205-T224 WeakPolarHBondContact CE1-OG1 3.39Å; F205-T224 HydrophobicContact CZ-CG2 3.77Å
206	Q	95	Very high	92.6	Very high	30 Å²	30	55.5 Å²	55.5	14%	0.14	29%	0.293	C	S	.	.	H	α-helix	trans	-60.9	-46.9	174.7	-64.8	-168.5	-56.9	0	0	111.2	W120 E202 E203 K208 L209 E210	W120-Q206 HydrophobicContact CD2-CG 4.28Å; W120-Q206 HydrophobicContact CE3-CG 4.14Å; W120-Q206 HydrophobicContact CH2-CB 3.85Å; W120-Q206 HydrophobicContact CH2-CG 3.58Å; W120-Q206 HydrophobicContact CZ2-CB 3.61Å; W120-Q206 HydrophobicContact CZ2-CG 3.76Å; W120-Q206 HydrophobicContact CZ3-CG 3.78Å; E202-Q206 HydrophobicContact CG-CG 4.38Å; E202-Q206 WeakPolarHBondContact O-CG 3.36Å; E202-Q206 PolarHBondContact O-N 3.29Å; E203-Q206 PolarHBondContact O-N 2.69Å; Q206-K208 VanDerWaalsContact C-N 3.3Å; Q206-K208 PolarHBondContact O-N 3.31Å; Q206-L209 PolarHBondContact O-N 3.14Å; Q206-L209 VanDerWaalsContact O-N 3.16Å; Q206-E210 WeakPolarHBondContact O-CG 3.19Å; Q206-E210 PolarHBondContact O-N 3.42Å
207	S	92.6	Very high	92.6	Very high	59 Å²	59	55.2 Å²	55.2	41%	0.413	29%	0.291	S	S	.	.	H	α-helix	trans	-59.7	-39.2	177.1	-169.8	0	0	0	0	112.6	E203 E204 E210 R211	E203-S207 WeakPolarHBondContact O-CB 3.19Å; E203-S207 PolarHBondContact O-N 2.72Å; E204-S207 PolarHBondContact O-N 3.32Å; S207-E210 PolarHBondContact O-N 3.24Å; S207-R211 WeakPolarHBondContact O-CG 3.13Å; S207-R211 PolarHBondContact O-N 3.08Å
208	K	93.5	Very high	92.7	Very high	14 Å²	14	53 Å²	53	6%	0.061	27%	0.274	C	S	.	.	H	α-helix	trans	-59.4	-47.6	173.9	176.1	-179.8	172.9	-171.6	0	111.4	D146 I150 W165 E204 F205 Q206 R211 I212	D146-K208 IonicContact OD1-NZ 3.69Å; D146-K208 PolarHBondContact OD1-NZ 2.94Å; I150-K208 HydrophobicContact CD1-CD 4.43Å; W165-K208 HydrophobicContact CG-CG 4.35Å; E204-K208 WeakPolarHBondContact O-CB 3.41Å; E204-K208 PolarHBondContact O-N 3.41Å; F205-K208 WeakPolarHBondContact O-CB 3.44Å; F205-K208 PolarHBondContact O-N 3.37Å; Q206-K208 VanDerWaalsContact C-N 3.3Å; Q206-K208 PolarHBondContact O-N 3.31Å; K208-R211 PolarHBondContact O-N 2.92Å; K208-I212 HydrophobicContact CG-CD1 4.23Å; K208-I212 WeakPolarHBondContact O-CG1 3.37Å; K208-I212 PolarHBondContact O-N 3.3Å
209	L	94.8	Very high	92.9	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-66.7	-38.1	178.2	-79.1	174.3	0	0	0	113.1	W120 F129 L145 F205 Q206 R211 I212 A213 C222	W120-L209 HydrophobicContact CH2-CB 4.17Å; W120-L209 HydrophobicContact CH2-CD1 3.68Å; W120-L209 HydrophobicContact CZ2-CB 4.24Å; W120-L209 HydrophobicContact CZ3-CD1 4.44Å; F129-L209 HydrophobicContact CD1-CB 3.94Å; F129-L209 HydrophobicContact CE1-CB 4.12Å; L145-L209 HydrophobicContact CD1-CD2 4.39Å; L145-L209 HydrophobicContact CD2-CD2 4.15Å; F205-L209 HydrophobicContact CD1-CD1 4.1Å; F205-L209 HydrophobicContact CE1-CD1 3.32Å; F205-L209 HydrophobicContact CE1-CG 4.18Å; F205-L209 HydrophobicContact CZ-CD1 3.61Å; F205-L209 HydrophobicContact CZ-CG 4.14Å; F205-L209 PolarHBondContact O-N 2.96Å; F205-L209 VanDerWaalsContact O-N 3.11Å; Q206-L209 PolarHBondContact O-N 3.14Å; Q206-L209 VanDerWaalsContact O-N 3.16Å; L209-R211 VanDerWaalsContact C-N 3.31Å; L209-R211 PolarHBondContact O-N 2.84Å; L209-I212 HydrophobicContact CD2-CD1 4.34Å; L209-I212 PolarHBondContact O-N 2.85Å; L209-A213 PolarHBondContact O-N 3.06Å; L209-C222 HydrophobicContact CD1-CB 4.28Å; L209-C222 HydrophobicContact CD2-CB 4.39Å
210	E	94.3	Very high	93.4	Very high	46 Å²	46	41.7 Å²	41.7	22%	0.215	22%	0.217	C	C	.	.	H	α-helix	trans	-60	-41.1	173.8	-70.4	-71.8	175.2	0	0	111.8	R118 W120 F129 Q206 S207 A213 N214	R118-E210 WeakPolarHBondContact CD-OE2 3.27Å; R118-E210 IonicContact CZ-OE2 3.81Å; R118-E210 IonicContact NE-OE2 2.59Å; R118-E210 IonicContact NH1-OE2 2.92Å; R118-E210 PolarHBondContact NH1-OE2 2.73Å; W120-E210 PolarHBondContact NE1-OE1 3.07Å; F129-E210 WeakPolarHBondContact CE2-OE1 3.31Å; F129-E210 HydrophobicContact CZ-CG 4.21Å; F129-E210 WeakPolarHBondContact CZ-OE1 3.46Å; F129-E210 WeakPolarHBondContact CZ-OE2 3.16Å; Q206-E210 WeakPolarHBondContact O-CG 3.19Å; Q206-E210 PolarHBondContact O-N 3.42Å; S207-E210 PolarHBondContact O-N 3.24Å; E210-A213 WeakPolarHBondContact O-CB 3.32Å; E210-A213 PolarHBondContact O-N 2.97Å; E210-N214 VanDerWaalsContact O-CG 3.24Å; E210-N214 PolarHBondContact O-N 3.27Å; E210-N214 PolarHBondContact O-ND2 3Å; E210-N214 PolarHBondContact O-OD1 3.23Å
211	R	93.1	Very high	93.8	Very high	126 Å²	126	40 Å²	40	48%	0.475	21%	0.209	S	C	.	.	H	α-helix	trans	-67.4	-38.4	175.6	-72.5	174.8	158.5	-169.3	-4.9	112.4	W165 S207 K208 L209 A213 N214 V215	W165-R211 HydrophobicContact CZ2-CB 3.82Å; S207-R211 WeakPolarHBondContact O-CG 3.13Å; S207-R211 PolarHBondContact O-N 3.08Å; K208-R211 PolarHBondContact O-N 2.92Å; L209-R211 VanDerWaalsContact C-N 3.31Å; L209-R211 PolarHBondContact O-N 2.84Å; R211-A213 VanDerWaalsContact C-N 3.34Å; R211-N214 PolarHBondContact O-N 3.17Å; R211-V215 PolarHBondContact O-N 3.2Å
212	I	93.7	Very high	94.1	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-62.4	-44.5	173.7	-69.6	165.7	0	0	0	110	L145 I150 W165 F167 K208 L209 N214 V215 L216	L145-I212 HydrophobicContact CD1-CD1 3.98Å; I150-I212 HydrophobicContact CD1-CD1 4.1Å; I150-I212 HydrophobicContact CG2-CD1 3.94Å; I150-I212 HydrophobicContact CG2-CG1 4.39Å; W165-I212 HydrophobicContact CE3-CG1 4.23Å; W165-I212 HydrophobicContact CH2-CG1 3.6Å; W165-I212 HydrophobicContact CZ2-CG1 3.96Å; W165-I212 HydrophobicContact CZ3-CG1 3.75Å; F167-I212 HydrophobicContact CE1-CG2 4.43Å; F167-I212 HydrophobicContact CZ-CG2 4.42Å; K208-I212 HydrophobicContact CG-CD1 4.23Å; K208-I212 WeakPolarHBondContact O-CG1 3.37Å; K208-I212 PolarHBondContact O-N 3.3Å; L209-I212 HydrophobicContact CD2-CD1 4.34Å; L209-I212 PolarHBondContact O-N 2.85Å; I212-N214 VanDerWaalsContact C-N 3.3Å; I212-N214 PolarHBondContact O-N 2.82Å; I212-V215 PolarHBondContact O-N 2.92Å; I212-L216 HydrophobicContact CG2-CD1 3.71Å; I212-L216 HydrophobicContact CG2-CG 4.04Å; I212-L216 WeakPolarHBondContact O-CG 3.49Å; I212-L216 PolarHBondContact O-N 3.25Å
213	A	94.1	Very high	94.3	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-57.7	-42.6	177.1	0	0	0	0	0	112.5	F129 V131 L209 E210 R211 V215 L216 C217 F220	F129-A213 HydrophobicContact CE1-CB 4.11Å; F129-A213 HydrophobicContact CZ-CB 4.38Å; V131-A213 HydrophobicContact CG1-CB 4.2Å; V131-A213 HydrophobicContact CG2-CB 3.86Å; L209-A213 PolarHBondContact O-N 3.06Å; E210-A213 WeakPolarHBondContact O-CB 3.32Å; E210-A213 PolarHBondContact O-N 2.97Å; R211-A213 VanDerWaalsContact C-N 3.34Å; A213-V215 PolarHBondContact O-N 3.36Å; A213-L216 PolarHBondContact O-N 3.01Å; A213-C217 PolarHBondContact O-N 3.19Å; A213-F220 HydrophobicContact CB-CE1 3.75Å; A213-F220 HydrophobicContact CB-CZ 3.83Å
214	N	92	Very high	94.5	Very high	82 Å²	82	29 Å²	29	44%	0.439	15%	0.152	S	C	.	.	H	α-helix	trans	-61.3	-27.7	176.3	-68.7	-17.9	0	0	0	113.6	R118 E210 R211 I212 C217	R118-N214 VanDerWaalsContact CZ-OD1 3.24Å; R118-N214 PolarHBondContact NH1-OD1 3.36Å; R118-N214 PolarHBondContact NH2-OD1 3.42Å; E210-N214 VanDerWaalsContact O-CG 3.24Å; E210-N214 PolarHBondContact O-N 3.27Å; E210-N214 PolarHBondContact O-ND2 3Å; E210-N214 PolarHBondContact O-OD1 3.23Å; R211-N214 PolarHBondContact O-N 3.17Å; I212-N214 VanDerWaalsContact C-N 3.3Å; I212-N214 PolarHBondContact O-N 2.82Å; N214-C217 PolarHBondContact O-SG 2.84Å
215	V	92.4	Very high	94.8	Very high	48 Å²	48	24.9 Å²	24.9	29%	0.291	13%	0.133	S	C	.	.	H	α-helix	trans	-90.6	-39.1	178.4	-178.6	0	0	0	0	111.3	F167 V173 R177 R211 I212 A213	F167-V215 HydrophobicContact CD2-CG1 4.37Å; F167-V215 HydrophobicContact CE2-CB 3.73Å; F167-V215 HydrophobicContact CE2-CG1 3.4Å; F167-V215 HydrophobicContact CE2-CG2 4.18Å; F167-V215 HydrophobicContact CZ-CB 3.84Å; F167-V215 HydrophobicContact CZ-CG1 3.79Å; V173-V215 HydrophobicContact CG2-CG1 4.17Å; R177-V215 PolarHBondContact NH2-O 3.44Å; R211-V215 PolarHBondContact O-N 3.2Å; I212-V215 PolarHBondContact O-N 2.92Å; A213-V215 PolarHBondContact O-N 3.36Å
216	L	93.1	Very high	94.9	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-66.7	-41.5	-179.7	-67.7	-177.1	0	0	0	111.7	F167 V173 L176 R177 I212 A213 I218 F220	F167-L216 HydrophobicContact CE1-CD2 3.78Å; F167-L216 HydrophobicContact CE1-CG 4.33Å; F167-L216 HydrophobicContact CZ-CD2 4.09Å; F167-L216 HydrophobicContact CZ-CG 4.37Å; V173-L216 HydrophobicContact CB-CD2 4.49Å; V173-L216 HydrophobicContact CG1-CD2 4.42Å; V173-L216 HydrophobicContact CG2-CD2 4.21Å; L176-L216 HydrophobicContact CB-CD2 4.4Å; L176-L216 HydrophobicContact CD1-CD1 4.01Å; L176-L216 HydrophobicContact CD1-CD2 3.69Å; R177-L216 WeakPolarHBondContact CG-O 3.39Å; R177-L216 PolarHBondContact NE-O 2.97Å; I212-L216 HydrophobicContact CG2-CD1 3.71Å; I212-L216 HydrophobicContact CG2-CG 4.04Å; I212-L216 WeakPolarHBondContact O-CG 3.49Å; I212-L216 PolarHBondContact O-N 3.25Å; A213-L216 PolarHBondContact O-N 3.01Å; L216-I218 VanDerWaalsContact C-N 3.28Å; L216-I218 HydrophobicContact CB-CG1 4.16Å; L216-I218 PolarHBondContact O-N 2.95Å; L216-F220 HydrophobicContact CD1-CE1 4.34Å
217	C	92	Very high	94.8	Very high	55 Å²	55	30.1 Å²	30.1	37%	0.372	15%	0.153	S	C	.	.			trans	51.1	44.1	-178.6	-59.1	0	0	0	0	113.4	A213 N214	A213-C217 PolarHBondContact O-N 3.19Å; N214-C217 PolarHBondContact O-SG 2.84Å
218	I	94	Very high	94.7	Very high	11 Å²	11	31.4 Å²	31.4	6%	0.056	16%	0.155	C	C	.	.	S	Bend	trans	-135.7	159.6	173.4	61.1	178.8	0	0	0	110.1	L176 R177 V186 L216 F220	L176-I218 HydrophobicContact CB-CD1 3.96Å; L176-I218 WeakPolarHBondContact O-CD1 3.08Å; R177-I218 HydrophobicContact CB-CG2 4.3Å; R177-I218 HydrophobicContact CG-CG2 3.72Å; V186-I218 HydrophobicContact CB-CD1 4.34Å; V186-I218 HydrophobicContact CG1-CD1 4.4Å; V186-I218 HydrophobicContact CG2-CD1 4.02Å; L216-I218 VanDerWaalsContact C-N 3.28Å; L216-I218 HydrophobicContact CB-CG1 4.16Å; L216-I218 PolarHBondContact O-N 2.95Å; I218-F220 HydrophobicContact CG1-CD1 4.46Å; I218-F220 WeakPolarHBondContact O-CD1 3.49Å
219	P	95	Very high	94.6	Very high	49 Å²	49	32.6 Å²	32.6	32%	0.318	16%	0.162	S	C	.	.			trans	-65	133.3	165.7	-19.8	33	0	0	0	111.7	V131 V134	V131-P219 CarbonylContact O-C 3.58Å; V131-P219 WeakPolarHBondContact O-CA 3.34Å; V134-P219 HydrophobicContact CG2-CB 4.19Å
220	F	96.7	Very high	94.5	Very high	1 Å²	1	34.9 Å²	34.9	0%	0.004	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	165.3	171.9	72	-85.8	0	0	0	111.4	F129 V131 V186 I188 A213 L216 I218 C222	F129-F220 HydrophobicContact CD1-CE2 4.34Å; F129-F220 HydrophobicContact CD1-CZ 4.38Å; F129-F220 HydrophobicContact CE1-CZ 4.18Å; V131-F220 HydrophobicContact CB-CD1 3.92Å; V131-F220 HydrophobicContact CB-CE1 3.76Å; V131-F220 HydrophobicContact CB-CZ 4.28Å; V131-F220 HydrophobicContact CG1-CD1 4.36Å; V131-F220 HydrophobicContact CG1-CE1 4.07Å; V131-F220 HydrophobicContact CG2-CD1 4.18Å; V131-F220 HydrophobicContact CG2-CE1 3.58Å; V131-F220 HydrophobicContact CG2-CE2 4.22Å; V131-F220 HydrophobicContact CG2-CZ 3.61Å; V131-F220 PolarHBondContact N-O 3.19Å; V131-F220 PolarHBondContact O-N 3.27Å; V131-F220 VanDerWaalsContact O-N 3.08Å; V186-F220 HydrophobicContact CB-CB 4.05Å; V186-F220 HydrophobicContact CG1-CB 4.04Å; V186-F220 VanDerWaalsContact O-CA 3.26Å; V186-F220 WeakPolarHBondContact O-CA 3.39Å; V186-F220 VanDerWaalsContact O-CB 3.28Å; V186-F220 WeakPolarHBondContact O-CB 3.39Å; I188-F220 HydrophobicContact CD1-CD2 3.93Å; I188-F220 HydrophobicContact CD1-CE2 3.93Å; I188-F220 HydrophobicContact CG1-CD2 4.42Å; A213-F220 HydrophobicContact CB-CE1 3.75Å; A213-F220 HydrophobicContact CB-CZ 3.83Å; L216-F220 HydrophobicContact CD1-CE1 4.34Å; I218-F220 HydrophobicContact CG1-CD1 4.46Å; I218-F220 WeakPolarHBondContact O-CD1 3.49Å; F220-C222 HydrophobicContact CD2-CB 4.5Å; F220-C222 HydrophobicContact CE2-CB 4.2Å
221	V	97.2	Very high	94.5	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	137.5	172.2	-166.7	0	0	0	0	109.6	V128 F129 T130 V134 V186 V187 I188 Y223 E246	V128-V221 HydrophobicContact CG1-CG1 3.72Å; F129-V221 CarbonylContact O-C 3.55Å; F129-V221 WeakPolarHBondContact O-CA 3.23Å; T130-V221 HydrophobicContact CG2-CG2 4.35Å; V134-V221 HydrophobicContact CB-CG2 4.06Å; V134-V221 HydrophobicContact CG1-CG2 3.87Å; V134-V221 HydrophobicContact CG2-CG2 3.7Å; V186-V221 PolarHBondContact O-N 2.78Å; V187-V221 CarbonylContact C-O 3.58Å; V187-V221 WeakPolarHBondContact CA-O 3.31Å; I188-V221 PolarHBondContact N-O 3.25Å; V221-Y223 HydrophobicContact CB-CE2 4.35Å; V221-Y223 HydrophobicContact CG1-CD2 3.96Å; V221-Y223 HydrophobicContact CG1-CE2 3.52Å; V221-E246 HydrophobicContact CG1-CG 4.23Å; V221-E246 HydrophobicContact CG2-CB 4.19Å; V221-E246 HydrophobicContact CG2-CG 3.93Å
222	C	98.4	Very high	94.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	118.7	173.1	-177.1	0	0	0	0	110.9	V128 F129 I188 L209 F220	V128-C222 CarbonylContact C-O 3.15Å; V128-C222 WeakPolarHBondContact CA-O 3.3Å; F129-C222 HydrophobicContact CB-CB 4.28Å; F129-C222 PolarHBondContact N-O 3.43Å; F129-C222 PolarHBondContact O-N 3.43Å; I188-C222 HydrophobicContact CB-CB 3.98Å; I188-C222 CarbonylContact O-C 3.56Å; I188-C222 WeakPolarHBondContact O-CA 3.4Å; L209-C222 HydrophobicContact CD1-CB 4.28Å; L209-C222 HydrophobicContact CD2-CB 4.39Å; F220-C222 HydrophobicContact CD2-CB 4.5Å; F220-C222 HydrophobicContact CE2-CB 4.2Å
223	Y	98.6	Very high	94.9	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	127.2	171.2	-77.6	-92.1	0	0	0	110.7	L126 V128 V187 I188 F189 T190 V221 M238 R241 Y242 E246	L126-Y223 HydrophobicContact CD1-CD1 3.83Å; L126-Y223 HydrophobicContact CD2-CD1 4.06Å; L126-Y223 HydrophobicContact CD2-CE1 4.22Å; L126-Y223 HydrophobicContact CG-CD1 4.36Å; V128-Y223 HydrophobicContact CB-CE1 4.35Å; V128-Y223 HydrophobicContact CG1-CD1 4.34Å; V128-Y223 HydrophobicContact CG1-CE1 3.94Å; V128-Y223 HydrophobicContact CG1-CE2 4.21Å; V128-Y223 HydrophobicContact CG2-CD1 3.65Å; V128-Y223 HydrophobicContact CG2-CE1 3.45Å; V128-Y223 VanDerWaalsContact CG2-CE1 3.45Å; V187-Y223 HydrophobicContact CG1-CD2 4.2Å; I188-Y223 PolarHBondContact O-N 3.37Å; F189-Y223 HydrophobicContact CD1-CD2 4.2Å; F189-Y223 HydrophobicContact CD1-CG 4.12Å; F189-Y223 AromaticContact CE1-CD2 3.65Å; F189-Y223 HydrophobicContact CE1-CD2 3.65Å; F189-Y223 HydrophobicContact CE1-CE2 4.4Å; F189-Y223 AromaticContact CE1-CG 3.86Å; F189-Y223 HydrophobicContact CE1-CG 3.86Å; F189-Y223 HydrophobicContact CZ-CD2 4.48Å; T190-Y223 PolarHBondContact N-O 3.34Å; V221-Y223 HydrophobicContact CB-CE2 4.35Å; V221-Y223 HydrophobicContact CG1-CD2 3.96Å; V221-Y223 HydrophobicContact CG1-CE2 3.52Å; Y223-M238 HydrophobicContact CD1-CB 4.37Å; Y223-M238 HydrophobicContact CG-CB 4.32Å; Y223-R241 HydrophobicContact CE1-CB 4.01Å; Y223-R241 HydrophobicContact CE1-CG 3.56Å; Y223-Y242 AromaticContact CE2-CD2 3.89Å; Y223-Y242 HydrophobicContact CE2-CD2 3.89Å; Y223-Y242 HydrophobicContact CE2-CG 4.2Å; Y223-Y242 WeakPolarHBondContact OH-CA 3.25Å; Y223-Y242 PolarHBondContact OH-N 3Å; Y223-E246 PolarHBondContact OH-OE2 3.25Å
224	T	98.6	Very high	95.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	105.6	-175.3	-51	0	0	0	0	109.2	L126 L127 T190 Q192 I195 F205 T226	L126-T224 WeakPolarHBondContact CA-O 3.43Å; L127-T224 PolarHBondContact N-O 3.28Å; L127-T224 PolarHBondContact O-N 3.44Å; T190-T224 HydrophobicContact CG2-CG2 4.06Å; T190-T224 WeakPolarHBondContact O-CA 2.92Å; Q192-T224 HydrophobicContact CB-CG2 3.63Å; Q192-T224 HydrophobicContact CG-CG2 3.51Å; I195-T224 HydrophobicContact CD1-CG2 4.1Å; F205-T224 HydrophobicContact CD1-CG2 4.26Å; F205-T224 HydrophobicContact CE1-CG2 3.47Å; F205-T224 VanDerWaalsContact CE1-CG2 3.47Å; F205-T224 WeakPolarHBondContact CE1-OG1 3.39Å; F205-T224 HydrophobicContact CZ-CG2 3.77Å; T224-T226 HydrophobicContact CG2-CG2 4.33Å; T224-T226 PolarHBondContact O-N 2.96Å
225	S	98	Very high	95.3	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	122.4	169.4	171.8	0	0	0	0	109.5	T190 Q192 R227 Y231 R232	T190-S225 PolarHBondContact O-N 3.02Å; Q192-S225 CarbonylContact C-O 3.58Å; Q192-S225 WeakPolarHBondContact CA-O 3.48Å; Q192-S225 PolarHBondContact N-O 2.74Å; S225-R227 PolarHBondContact OG-O 3.11Å; S225-Y231 WeakPolarHBondContact CB-O 3.29Å; S225-R232 VanDerWaalsContact OG-CA 3.27Å; S225-R232 WeakPolarHBondContact OG-CA 3.28Å; S225-R232 PolarHBondContact OG-N 2.84Å
226	T	96.4	Very high	95.5	Very high	10 Å²	10	26.6 Å²	26.6	6%	0.061	13%	0.128	C	C	.	.			trans	-102.2	-12.9	-177.4	62.4	0	0	0	0	113.4	G125 L127 K193 I195 S196 T224	G125-T226 VanDerWaalsContact CA-OG1 3.3Å; G125-T226 WeakPolarHBondContact CA-OG1 3.21Å; G125-T226 PolarHBondContact O-N 2.83Å; G125-T226 PolarHBondContact O-OG1 3.2Å; L127-T226 HydrophobicContact CD1-CG2 3.99Å; L127-T226 HydrophobicContact CG-CG2 3.89Å; K193-T226 WeakPolarHBondContact CA-O 3.32Å; I195-T226 HydrophobicContact CB-CG2 4.18Å; I195-T226 HydrophobicContact CD1-CG2 4.12Å; I195-T226 HydrophobicContact CG2-CG2 4.15Å; S196-T226 WeakPolarHBondContact CB-O 3.46Å; S196-T226 PolarHBondContact OG-O 3.34Å; T224-T226 HydrophobicContact CG2-CG2 4.33Å; T224-T226 PolarHBondContact O-N 2.96Å
227	R	93.3	Very high	95.6	Very high	132 Å²	132	26.8 Å²	26.8	50%	0.498	13%	0.13	S	C	.	.	S	Bend	trans	-129.1	176.7	-175.1	-65.3	178.1	-176.2	-158.1	-1.1	111.3	S225 D229	S225-R227 PolarHBondContact OG-O 3.11Å; R227-D229 VanDerWaalsContact C-N 3.34Å; R227-D229 PolarHBondContact O-N 3.33Å
228	D	90.6	Very high	95.9	Very high	85 Å²	85	24.1 Å²	24.1	46%	0.455	11%	0.113	S	C	.	.	S	Bend	trans	-94.8	68.3	170.5	-174.6	3.7	0	0	0	109.7	R235	D228-R235 PolarHBondContact O-NH1 3.3Å; D228-R235 IonicContact OD1-CZ 3.77Å; D228-R235 VanDerWaalsContact OD1-CZ 3.28Å; D228-R235 IonicContact OD1-NH1 3.61Å; D228-R235 PolarHBondContact OD1-NH1 2.76Å; D228-R235 IonicContact OD1-NH2 2.9Å; D228-R235 PolarHBondContact OD1-NH2 3.39Å
229	D	89.7	Confident	96.1	Very high	40 Å²	40	24.5 Å²	24.5	21%	0.214	11%	0.113	C	C	.	.	S	Bend	trans	-127.2	-166.1	-178.7	59.7	19.8	0	0	0	110.5	G125 R227 Y231 R232 R235	G125-D229 WeakPolarHBondContact CA-OD2 3.35Å; R227-D229 VanDerWaalsContact C-N 3.34Å; R227-D229 PolarHBondContact O-N 3.33Å; D229-Y231 PolarHBondContact O-N 3.17Å; D229-Y231 VanDerWaalsContact O-N 3.12Å; D229-Y231 WeakPolarHBondContact OD1-CB 3.37Å; D229-Y231 PolarHBondContact OD1-N 3.43Å; D229-R232 WeakPolarHBondContact O-CB 3.29Å; D229-R232 PolarHBondContact O-N 3.02Å; D229-R235 VanDerWaalsContact C-NH1 3.27Å; D229-R235 WeakPolarHBondContact O-CD 3.36Å; D229-R235 PolarHBondContact O-NH1 3.42Å
230	F	92.6	Very high	96.1	Very high	47 Å²	47	25.2 Å²	25.2	21%	0.206	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-17.3	-177.2	-166	-114.5	0	0	0	113.9	R235 G237 E240 M438 I489	F230-R235 HydrophobicContact CD2-CB 4.18Å; F230-R235 HydrophobicContact CE2-CB 4.36Å; F230-R235 VanDerWaalsContact O-CB 3.23Å; F230-R235 WeakPolarHBondContact O-CB 3.41Å; F230-G237 VanDerWaalsContact CD1-CA 3.43Å; F230-G237 VanDerWaalsContact O-CA 3.27Å; F230-G237 WeakPolarHBondContact O-CA 3.37Å; F230-G237 PolarHBondContact O-N 3.48Å; F230-E240 WeakPolarHBondContact CE1-OE2 3.37Å; F230-M438 HydrophobicContact CD2-SD 4.02Å; F230-I489 HydrophobicContact CE2-CD1 4.4Å; F230-I489 HydrophobicContact CE2-CG1 4.26Å; F230-I489 HydrophobicContact CE2-CG2 4.24Å; F230-I489 HydrophobicContact CZ-CG1 4.38Å
231	Y	95.5	Very high	96.1	Very high	65 Å²	65	30.4 Å²	30.4	26%	0.255	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-19.6	174.9	-61.8	-63.7	0	0	0	112.9	L126 S225 D229 K233 G237 M238	L126-Y231 HydrophobicContact CB-CD1 4.38Å; L126-Y231 HydrophobicContact CB-CD2 3.84Å; L126-Y231 HydrophobicContact CB-CE2 3.94Å; L126-Y231 HydrophobicContact CB-CG 4.07Å; L126-Y231 HydrophobicContact CD1-CD1 4.13Å; L126-Y231 HydrophobicContact CD1-CG 4.2Å; L126-Y231 HydrophobicContact CD2-CD1 3.97Å; L126-Y231 HydrophobicContact CD2-CE1 3.73Å; L126-Y231 HydrophobicContact CD2-CE2 4.48Å; L126-Y231 HydrophobicContact CD2-CG 4.5Å; L126-Y231 HydrophobicContact CG-CD1 4.38Å; L126-Y231 HydrophobicContact CG-CG 4.48Å; S225-Y231 WeakPolarHBondContact CB-O 3.29Å; D229-Y231 PolarHBondContact O-N 3.17Å; D229-Y231 VanDerWaalsContact O-N 3.12Å; D229-Y231 WeakPolarHBondContact OD1-CB 3.37Å; D229-Y231 PolarHBondContact OD1-N 3.43Å; Y231-K233 PolarHBondContact O-N 3.34Å; Y231-G237 WeakPolarHBondContact CE1-O 3.42Å; Y231-M238 HydrophobicContact CD1-CG 4.26Å; Y231-M238 WeakPolarHBondContact O-CE 3.44Å; Y231-M238 VanDerWaalsContact O-CG 3.27Å; Y231-M238 WeakPolarHBondContact O-CG 3.35Å
232	R	96.3	Very high	96	Very high	34 Å²	34	30.4 Å²	30.4	13%	0.128	13%	0.132	C	C	.	.	S	Bend	trans	-73.5	121.4	-176	-170.4	174.5	178.5	72.5	6.6	111.7	N191 S225 D229 R235 E496	N191-R232 VanDerWaalsContact ND2-CG 3.35Å; N191-R232 WeakPolarHBondContact ND2-CG 3.44Å; S225-R232 VanDerWaalsContact OG-CA 3.27Å; S225-R232 WeakPolarHBondContact OG-CA 3.28Å; S225-R232 PolarHBondContact OG-N 2.84Å; D229-R232 WeakPolarHBondContact O-CB 3.29Å; D229-R232 PolarHBondContact O-N 3.02Å; R232-R235 WeakPolarHBondContact O-CB 3.28Å; R232-R235 WeakPolarHBondContact O-CD 3.4Å; R232-R235 WeakPolarHBondContact O-CG 3.37Å; R232-R235 PolarHBondContact O-N 2.89Å; R232-E496 IonicContact CZ-OE1 2.72Å; R232-E496 IonicContact CZ-OE2 3.89Å; R232-E496 VanDerWaalsContact NE-CD 3.31Å; R232-E496 IonicContact NE-OE1 2.62Å; R232-E496 PolarHBondContact NE-OE1 3.04Å; R232-E496 IonicContact NE-OE2 3.98Å; R232-E496 PolarHBondContact NE-OE2 2.73Å; R232-E496 IonicContact NH1-OE1 3Å; R232-E496 VanDerWaalsContact NH2-CD 3.25Å; R232-E496 IonicContact NH2-OE1 3.17Å; R232-E496 PolarHBondContact NH2-OE1 3.38Å; R232-E496 IonicContact NH2-OE2 2.78Å; R232-E496 PolarHBondContact NH2-OE2 2.59Å
233	K	98.2	Very high	95.9	Very high	4 Å²	4	31.5 Å²	31.5	2%	0.017	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	140.5	171.1	-58.6	-179	-70	-176.8	0	109.7	D144 F189 N191 Y231 M238 F259 A279 D280 F283 E496	D144-K233 IonicContact OD1-NZ 3.32Å; D144-K233 PolarHBondContact OD1-NZ 2.95Å; F189-K233 HydrophobicContact CB-CD 4.22Å; F189-K233 WeakPolarHBondContact O-CE 3.35Å; F189-K233 PolarHBondContact O-NZ 2.7Å; N191-K233 WeakPolarHBondContact ND2-CB 3.39Å; N191-K233 PolarHBondContact ND2-N 2.84Å; N191-K233 PolarHBondContact ND2-O 2.87Å; N191-K233 VanDerWaalsContact ND2-O 3.1Å; N191-K233 PolarHBondContact OD1-N 2.72Å; Y231-K233 PolarHBondContact O-N 3.34Å; K233-M238 HydrophobicContact CD-CE 4.13Å; K233-M238 HydrophobicContact CG-CE 3.54Å; K233-F259 HydrophobicContact CD-CZ 4.13Å; K233-A279 HydrophobicContact CB-CB 4.34Å; K233-D280 VanDerWaalsContact CE-OD1 3.31Å; K233-D280 WeakPolarHBondContact CE-OD1 3.31Å; K233-D280 IonicContact NZ-OD1 3.94Å; K233-D280 PolarHBondContact NZ-OD1 3.03Å; K233-F283 HydrophobicContact CB-CB 4.21Å; K233-F283 HydrophobicContact CB-CD2 4.18Å; K233-F283 HydrophobicContact CB-CG 4.38Å; K233-F283 HydrophobicContact CD-CB 4.35Å; K233-F283 HydrophobicContact CD-CD1 4.36Å; K233-F283 HydrophobicContact CD-CD2 4.33Å; K233-F283 HydrophobicContact CD-CG 4.1Å; K233-F283 HydrophobicContact CG-CB 4.26Å; K233-F283 HydrophobicContact CG-CD2 3.71Å; K233-F283 HydrophobicContact CG-CE2 4.12Å; K233-F283 HydrophobicContact CG-CG 3.95Å; K233-E496 VanDerWaalsContact O-CG 3.3Å; K233-E496 WeakPolarHBondContact O-CG 2.9Å
234	P	98.1	Very high	95.6	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.006	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	cis	-83.9	6.1	10.6	33.2	-37.2	0	0	0	116.1	L282 F283 N286 Y493	P234-L282 HydrophobicContact CB-CB 3.51Å; P234-L282 HydrophobicContact CG-CB 4.16Å; P234-F283 HydrophobicContact CB-CB 4.45Å; P234-N286 PolarHBondContact O-ND2 2.83Å; P234-Y493 WeakPolarHBondContact CG-O 3.48Å
235	R	96.8	Very high	95.3	Very high	14 Å²	14	36.1 Å²	36.1	5%	0.053	17%	0.172	C	C	.	.	S	Bend	trans	-69	156.7	179.6	-54.3	155.4	-171.2	172.4	8.7	110.4	D228 D229 F230 R232 F283 M438 L494	D228-R235 PolarHBondContact O-NH1 3.3Å; D228-R235 IonicContact OD1-CZ 3.77Å; D228-R235 VanDerWaalsContact OD1-CZ 3.28Å; D228-R235 IonicContact OD1-NH1 3.61Å; D228-R235 PolarHBondContact OD1-NH1 2.76Å; D228-R235 IonicContact OD1-NH2 2.9Å; D228-R235 PolarHBondContact OD1-NH2 3.39Å; D229-R235 VanDerWaalsContact C-NH1 3.27Å; D229-R235 WeakPolarHBondContact O-CD 3.36Å; D229-R235 PolarHBondContact O-NH1 3.42Å; F230-R235 HydrophobicContact CD2-CB 4.18Å; F230-R235 HydrophobicContact CE2-CB 4.36Å; F230-R235 VanDerWaalsContact O-CB 3.23Å; F230-R235 WeakPolarHBondContact O-CB 3.41Å; R232-R235 WeakPolarHBondContact O-CB 3.28Å; R232-R235 WeakPolarHBondContact O-CD 3.4Å; R232-R235 WeakPolarHBondContact O-CG 3.37Å; R232-R235 PolarHBondContact O-N 2.89Å; R235-F283 WeakPolarHBondContact O-CD2 3.23Å; R235-F283 WeakPolarHBondContact O-CE2 3.27Å; R235-M438 WeakPolarHBondContact CD-SD 3.27Å; R235-M438 HydrophobicContact CG-SD 3.97Å; R235-M438 PolarHBondContact NE-SD 3.29Å; R235-L494 HydrophobicContact CG-CD2 4.21Å; R235-L494 PolarHBondContact NE-O 3.37Å; R235-L494 PolarHBondContact NH2-O 3.28Å
236	L	96.6	Very high	95	Very high	10 Å²	10	37.9 Å²	37.9	5%	0.052	18%	0.181	C	C	.	.	S	Bend	trans	-93.5	5.1	-169.6	-64.9	-174	0	0	0	115	M238 W239 E240 F283 N286 A287 M492	L236-M238 VanDerWaalsContact C-N 3.27Å; L236-M238 PolarHBondContact O-N 3.04Å; L236-M238 VanDerWaalsContact O-N 3.15Å; L236-W239 HydrophobicContact CB-CB 4.43Å; L236-W239 HydrophobicContact CD2-CB 4.21Å; L236-W239 HydrophobicContact CD2-CG 4.48Å; L236-W239 WeakPolarHBondContact O-CA 3.5Å; L236-W239 WeakPolarHBondContact O-CB 3.45Å; L236-W239 PolarHBondContact O-N 3.17Å; L236-E240 HydrophobicContact CB-CG 4.07Å; L236-E240 WeakPolarHBondContact O-CG 3.43Å; L236-E240 PolarHBondContact O-N 2.86Å; L236-F283 HydrophobicContact CD2-CD2 4.18Å; L236-F283 HydrophobicContact CD2-CE2 4.16Å; L236-N286 HydrophobicContact CD1-CB 4.11Å; L236-N286 HydrophobicContact CD2-CB 3.63Å; L236-N286 HydrophobicContact CG-CB 3.88Å; L236-A287 HydrophobicContact CD2-CB 3.83Å; L236-M492 HydrophobicContact CB-SD 4.44Å; L236-M492 HydrophobicContact CD1-CE 3.69Å; L236-M492 HydrophobicContact CD1-SD 3.74Å; L236-M492 HydrophobicContact CG-CE 4.48Å; L236-M492 HydrophobicContact CG-SD 3.93Å
237	G	95.6	Very high	94.8	Very high	4 Å²	4	37.5 Å²	37.5	4%	0.041	18%	0.178	C	C	.	.	H	α-helix	trans	-55.3	-39.7	-174.8	0	0	0	0	0	113.8	F230 Y231 R241	F230-G237 VanDerWaalsContact CD1-CA 3.43Å; F230-G237 VanDerWaalsContact O-CA 3.27Å; F230-G237 WeakPolarHBondContact O-CA 3.37Å; F230-G237 PolarHBondContact O-N 3.48Å; Y231-G237 WeakPolarHBondContact CE1-O 3.42Å; G237-R241 VanDerWaalsContact O-CB 3.29Å; G237-R241 WeakPolarHBondContact O-CB 3.33Å; G237-R241 PolarHBondContact O-N 3.28Å; G237-R241 VanDerWaalsContact O-N 3.12Å
238	M	98.2	Very high	94.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-70.1	-40.8	176	-64.1	-171	-69.3	0	0	112.1	L126 F189 Y223 Y231 K233 L236 R241 Y242	L126-M238 HydrophobicContact CD1-CG 3.88Å; L126-M238 HydrophobicContact CD1-SD 4.31Å; F189-M238 HydrophobicContact CB-CE 3.86Å; F189-M238 HydrophobicContact CD1-CB 3.45Å; F189-M238 VanDerWaalsContact CD1-CB 3.45Å; F189-M238 HydrophobicContact CD1-CE 4.21Å; F189-M238 HydrophobicContact CD1-CG 4.37Å; F189-M238 HydrophobicContact CD1-SD 4.18Å; F189-M238 HydrophobicContact CE1-CB 3.67Å; F189-M238 WeakPolarHBondContact CE1-O 3.35Å; F189-M238 HydrophobicContact CG-CE 4.48Å; Y223-M238 HydrophobicContact CD1-CB 4.37Å; Y223-M238 HydrophobicContact CG-CB 4.32Å; Y231-M238 HydrophobicContact CD1-CG 4.26Å; Y231-M238 WeakPolarHBondContact O-CE 3.44Å; Y231-M238 VanDerWaalsContact O-CG 3.27Å; Y231-M238 WeakPolarHBondContact O-CG 3.35Å; K233-M238 HydrophobicContact CD-CE 4.13Å; K233-M238 HydrophobicContact CG-CE 3.54Å; L236-M238 VanDerWaalsContact C-N 3.27Å; L236-M238 PolarHBondContact O-N 3.04Å; L236-M238 VanDerWaalsContact O-N 3.15Å; M238-R241 PolarHBondContact O-N 3.05Å; M238-Y242 WeakPolarHBondContact O-CB 3.45Å; M238-Y242 PolarHBondContact O-N 3.16Å
239	W	97.8	Very high	94.7	Very high	19 Å²	19	37 Å²	37	7%	0.072	19%	0.192	C	C	.	.	H	α-helix	trans	-63.7	-50.2	179	176.3	-109.8	0	0	0	111.7	I140 F189 L236 R241 Y242 C243 L252 F283 A287 L289	I140-W239 HydrophobicContact CB-CH2 4.35Å; I140-W239 HydrophobicContact CG1-CH2 4.19Å; I140-W239 HydrophobicContact CG2-CH2 4.27Å; I140-W239 HydrophobicContact CG2-CZ3 4.03Å; F189-W239 AromaticContact CE2-CE3 3.74Å; F189-W239 HydrophobicContact CE2-CE3 3.74Å; F189-W239 HydrophobicContact CE2-CZ3 4.19Å; F189-W239 AromaticContact CZ-CE3 3.82Å; F189-W239 HydrophobicContact CZ-CE3 3.82Å; F189-W239 HydrophobicContact CZ-CZ3 4.46Å; L236-W239 HydrophobicContact CB-CB 4.43Å; L236-W239 HydrophobicContact CD2-CB 4.21Å; L236-W239 HydrophobicContact CD2-CG 4.48Å; L236-W239 WeakPolarHBondContact O-CA 3.5Å; L236-W239 WeakPolarHBondContact O-CB 3.45Å; L236-W239 PolarHBondContact O-N 3.17Å; W239-R241 VanDerWaalsContact C-N 3.3Å; W239-R241 PolarHBondContact O-N 3.04Å; W239-Y242 HydrophobicContact CE3-CD1 4.26Å; W239-Y242 HydrophobicContact CZ3-CD1 4.08Å; W239-Y242 HydrophobicContact CZ3-CE1 4.37Å; W239-Y242 WeakPolarHBondContact O-CB 3.21Å; W239-Y242 PolarHBondContact O-N 3.28Å; W239-C243 VanDerWaalsContact CE2-SG 3.54Å; W239-C243 PolarHBondContact O-N 3.49Å; W239-C243 PolarHBondContact O-SG 2.84Å; W239-C243 VanDerWaalsContact O-SG 3.39Å; W239-L252 HydrophobicContact CH2-CD1 3.74Å; W239-L252 HydrophobicContact CZ2-CD1 3.41Å; W239-L252 VanDerWaalsContact CZ2-CD1 3.41Å; W239-F283 HydrophobicContact CB-CE2 4.05Å; W239-F283 HydrophobicContact CB-CZ 3.75Å; W239-A287 HydrophobicContact CD2-CB 4.15Å; W239-A287 HydrophobicContact CG-CB 4.1Å; W239-L289 HydrophobicContact CE3-CD1 4.16Å; W239-L289 HydrophobicContact CH2-CD1 3.86Å; W239-L289 HydrophobicContact CH2-CD2 3.81Å; W239-L289 HydrophobicContact CH2-CG 4.23Å; W239-L289 HydrophobicContact CZ2-CD1 4.27Å; W239-L289 HydrophobicContact CZ2-CD2 4.12Å; W239-L289 HydrophobicContact CZ2-CG 4.35Å; W239-L289 HydrophobicContact CZ3-CD1 3.8Å
240	E	95	Very high	94.8	Very high	63 Å²	63	36.8 Å²	36.8	29%	0.294	20%	0.196	S	C	.	.	H	α-helix	trans	-61.9	-39.9	178.6	-70.5	176.8	-175.1	0	0	111.1	F230 L236 C243 A244 R485	F230-E240 WeakPolarHBondContact CE1-OE2 3.37Å; L236-E240 HydrophobicContact CB-CG 4.07Å; L236-E240 WeakPolarHBondContact O-CG 3.43Å; L236-E240 PolarHBondContact O-N 2.86Å; E240-C243 PolarHBondContact O-N 3.05Å; E240-A244 WeakPolarHBondContact O-CB 3.4Å; E240-A244 PolarHBondContact O-N 3.33Å; E240-R485 IonicContact OE1-CZ 3.76Å; E240-R485 IonicContact OE1-NH1 3.07Å; E240-R485 PolarHBondContact OE1-NH1 3Å; E240-R485 IonicContact OE1-NH2 3.27Å; E240-R485 PolarHBondContact OE1-NH2 3.44Å; E240-R485 IonicContact OE2-CZ 3.24Å; E240-R485 IonicContact OE2-NH2 3.23Å; E240-R485 PolarHBondContact OE2-NH2 2.72Å
241	R	96	Very high	94.8	Very high	111 Å²	111	43.1 Å²	43.1	42%	0.419	23%	0.226	S	C	.	.	H	α-helix	trans	-61.1	-50.5	173.9	-178.8	59.3	178.4	-168.2	0.1	111	L126 Y223 G237 M238 W239 C243 A244 T245	L126-R241 HydrophobicContact CD2-CG 4.22Å; Y223-R241 HydrophobicContact CE1-CB 4.01Å; Y223-R241 HydrophobicContact CE1-CG 3.56Å; G237-R241 VanDerWaalsContact O-CB 3.29Å; G237-R241 WeakPolarHBondContact O-CB 3.33Å; G237-R241 PolarHBondContact O-N 3.28Å; G237-R241 VanDerWaalsContact O-N 3.12Å; M238-R241 PolarHBondContact O-N 3.05Å; W239-R241 VanDerWaalsContact C-N 3.3Å; W239-R241 PolarHBondContact O-N 3.04Å; R241-C243 PolarHBondContact O-N 3.2Å; R241-A244 PolarHBondContact O-N 3.08Å; R241-T245 PolarHBondContact O-N 3.14Å; R241-T245 PolarHBondContact O-OG1 2.98Å
242	Y	96.9	Very high	94.7	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-54.8	-49.9	176.6	169.9	-107	0	0	0	112.8	I140 N185 V187 F189 Y223 M238 W239 A244 T245 E246 N247	I140-Y242 HydrophobicContact CD1-CE1 3.94Å; I140-Y242 WeakPolarHBondContact CD1-OH 3.5Å; I140-Y242 HydrophobicContact CG1-CE1 4.25Å; I140-Y242 HydrophobicContact CG2-CE1 4.01Å; N185-Y242 VanDerWaalsContact CB-OH 3.23Å; N185-Y242 WeakPolarHBondContact CB-OH 3.29Å; N185-Y242 PolarHBondContact ND2-OH 3.15Å; V187-Y242 HydrophobicContact CG1-CD2 4.14Å; V187-Y242 HydrophobicContact CG1-CE2 4.39Å; V187-Y242 HydrophobicContact CG1-CG 4.32Å; V187-Y242 HydrophobicContact CG2-CD1 4.43Å; V187-Y242 HydrophobicContact CG2-CD2 4.06Å; V187-Y242 HydrophobicContact CG2-CE1 3.91Å; V187-Y242 HydrophobicContact CG2-CE2 3.5Å; V187-Y242 VanDerWaalsContact CG2-CE2 3.5Å; V187-Y242 HydrophobicContact CG2-CG 4.49Å; V187-Y242 VanDerWaalsContact CG2-CZ 3.41Å; F189-Y242 HydrophobicContact CZ-CD1 4.33Å; F189-Y242 HydrophobicContact CZ-CG 4.16Å; Y223-Y242 AromaticContact CE2-CD2 3.89Å; Y223-Y242 HydrophobicContact CE2-CD2 3.89Å; Y223-Y242 HydrophobicContact CE2-CG 4.2Å; Y223-Y242 WeakPolarHBondContact OH-CA 3.25Å; Y223-Y242 PolarHBondContact OH-N 3Å; M238-Y242 WeakPolarHBondContact O-CB 3.45Å; M238-Y242 PolarHBondContact O-N 3.16Å; W239-Y242 HydrophobicContact CE3-CD1 4.26Å; W239-Y242 HydrophobicContact CZ3-CD1 4.08Å; W239-Y242 HydrophobicContact CZ3-CE1 4.37Å; W239-Y242 WeakPolarHBondContact O-CB 3.21Å; W239-Y242 PolarHBondContact O-N 3.28Å; Y242-A244 VanDerWaalsContact C-N 3.31Å; Y242-A244 PolarHBondContact O-N 3.08Å; Y242-T245 PolarHBondContact O-N 3.18Å; Y242-E246 HydrophobicContact CD2-CB 3.89Å; Y242-E246 HydrophobicContact CE2-CB 3.87Å; Y242-E246 PolarHBondContact O-N 3.45Å; Y242-N247 HydrophobicContact CD1-CB 4.45Å; Y242-N247 HydrophobicContact CE1-CB 3.87Å; Y242-N247 HydrophobicContact CE2-CB 4.3Å; Y242-N247 PolarHBondContact O-N 3.02Å; Y242-N247 PolarHBondContact OH-OD1 2.98Å
243	C	94.3	Very high	94.6	Very high	22 Å²	22	42.7 Å²	42.7	15%	0.149	23%	0.231	C	C	.	.	H	α-helix	trans	-57.9	-45.8	178.5	-71.1	0	0	0	0	111.3	W239 E240 R241 N247 S248 N249	W239-C243 VanDerWaalsContact CE2-SG 3.54Å; W239-C243 PolarHBondContact O-N 3.49Å; W239-C243 PolarHBondContact O-SG 2.84Å; W239-C243 VanDerWaalsContact O-SG 3.39Å; E240-C243 PolarHBondContact O-N 3.05Å; R241-C243 PolarHBondContact O-N 3.2Å; C243-N247 CarbonylContact O-C 3.57Å; C243-S248 PolarHBondContact O-N 3.47Å; C243-N249 WeakPolarHBondContact O-CA 3.03Å; C243-N249 PolarHBondContact O-N 2.99Å
244	A	92.4	Very high	94.4	Very high	49 Å²	49	45.7 Å²	45.7	41%	0.405	25%	0.246	S	C	.	.	H	α-helix	trans	-71.1	-33.1	-176.1	0	0	0	0	0	114.1	E240 R241 Y242 N249	E240-A244 WeakPolarHBondContact O-CB 3.4Å; E240-A244 PolarHBondContact O-N 3.33Å; R241-A244 PolarHBondContact O-N 3.08Å; Y242-A244 VanDerWaalsContact C-N 3.31Å; Y242-A244 PolarHBondContact O-N 3.08Å; A244-N249 WeakPolarHBondContact CA-OD1 3.07Å
245	T	92.7	Very high	94.2	Very high	48 Å²	48	52.2 Å²	52.2	29%	0.294	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	-80.6	-175.8	44.1	0	0	0	0	112.6	R241 Y242 N247 S248	R241-T245 PolarHBondContact O-N 3.14Å; R241-T245 PolarHBondContact O-OG1 2.98Å; Y242-T245 PolarHBondContact O-N 3.18Å; T245-N247 PolarHBondContact O-N 2.88Å; T245-S248 PolarHBondContact O-N 3.02Å; T245-S248 PolarHBondContact O-OG 3.45Å
246	E	92.5	Very high	94.1	Very high	38 Å²	38	57.8 Å²	57.8	18%	0.178	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-24.2	-169.9	-73.6	75.8	178.5	0	0	112	V221 Y223 Y242	V221-E246 HydrophobicContact CG1-CG 4.23Å; V221-E246 HydrophobicContact CG2-CB 4.19Å; V221-E246 HydrophobicContact CG2-CG 3.93Å; Y223-E246 PolarHBondContact OH-OE2 3.25Å; Y242-E246 HydrophobicContact CD2-CB 3.89Å; Y242-E246 HydrophobicContact CE2-CB 3.87Å; Y242-E246 PolarHBondContact O-N 3.45Å
247	N	92.4	Very high	94.2	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.005	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	1.4	171.8	-147.5	55	0	0	0	114.5	S137 N185 Y242 C243 T245 N249 A250 L252	S137-N247 PolarHBondContact N-OD1 3.07Å; S137-N247 PolarHBondContact O-ND2 2.99Å; S137-N247 PolarHBondContact O-OD1 3.24Å; N185-N247 PolarHBondContact ND2-OD1 3.14Å; N185-N247 VanDerWaalsContact ND2-OD1 3.14Å; Y242-N247 HydrophobicContact CD1-CB 4.45Å; Y242-N247 HydrophobicContact CE1-CB 3.87Å; Y242-N247 HydrophobicContact CE2-CB 4.3Å; Y242-N247 PolarHBondContact O-N 3.02Å; Y242-N247 PolarHBondContact OH-OD1 2.98Å; C243-N247 CarbonylContact O-C 3.57Å; T245-N247 PolarHBondContact O-N 2.88Å; N247-N249 PolarHBondContact O-N 3.29Å; N247-A250 VanDerWaalsContact O-CB 3.28Å; N247-A250 WeakPolarHBondContact O-CB 3.23Å; N247-A250 PolarHBondContact O-N 3.26Å; N247-L252 WeakPolarHBondContact ND2-CD2 3.37Å
248	S	91.5	Very high	94.3	Very high	86 Å²	86	57.9 Å²	57.9	60%	0.601	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.4	38.3	172.5	-60.2	0	0	0	0	115.1	C243 T245 A250	C243-S248 PolarHBondContact O-N 3.47Å; T245-S248 PolarHBondContact O-N 3.02Å; T245-S248 PolarHBondContact O-OG 3.45Å; S248-A250 PolarHBondContact O-N 3.34Å; S248-A250 VanDerWaalsContact O-N 3.14Å
249	N	89.9	Confident	94.4	Very high	121 Å²	121	57.9 Å²	57.9	65%	0.647	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	28.4	-175.6	-60.2	-61	0	0	0	114.4	C243 A244 N247	C243-N249 WeakPolarHBondContact O-CA 3.03Å; C243-N249 PolarHBondContact O-N 2.99Å; A244-N249 WeakPolarHBondContact CA-OD1 3.07Å; N247-N249 PolarHBondContact O-N 3.29Å
250	A	91.2	Very high	94.4	Very high	35 Å²	35	57 Å²	57	29%	0.289	29%	0.293	S	S	.	.			trans	-60.8	143.9	177.3	0	0	0	0	0	111.5	A136 N247 S248 L252	A136-A250 HydrophobicContact CB-CB 4.03Å; N247-A250 VanDerWaalsContact O-CB 3.28Å; N247-A250 WeakPolarHBondContact O-CB 3.23Å; N247-A250 PolarHBondContact O-N 3.26Å; S248-A250 PolarHBondContact O-N 3.34Å; S248-A250 VanDerWaalsContact O-N 3.14Å; A250-L252 PolarHBondContact O-N 2.94Å; A250-L252 VanDerWaalsContact O-N 3.16Å
251	Q	92.3	Very high	94.6	Very high	181 Å²	181	54 Å²	54	85%	0.846	28%	0.279	S	S	*	.			trans	-64.9	115.7	178	-172.8	179.1	2.4	0	0	110.3	N138	N138-Q251 VanDerWaalsContact CB-O 3.26Å; N138-Q251 WeakPolarHBondContact CB-O 3.26Å
252	L	93.3	Very high	94.6	Very high	37 Å²	37	50.1 Å²	50.1	19%	0.194	27%	0.266	C	S	.	.			trans	-84.3	140.6	-177.4	-62.2	-176.6	0	0	0	111.7	I140 W239 N247 A250 M254	I140-L252 HydrophobicContact CD1-CD2 3.82Å; I140-L252 HydrophobicContact CG1-CD1 4.37Å; I140-L252 HydrophobicContact CG1-CD2 3.62Å; W239-L252 HydrophobicContact CH2-CD1 3.74Å; W239-L252 HydrophobicContact CZ2-CD1 3.41Å; W239-L252 VanDerWaalsContact CZ2-CD1 3.41Å; N247-L252 WeakPolarHBondContact ND2-CD2 3.37Å; A250-L252 PolarHBondContact O-N 2.94Å; A250-L252 VanDerWaalsContact O-N 3.16Å; L252-M254 HydrophobicContact CB-SD 3.89Å; L252-M254 HydrophobicContact CD1-SD 4.32Å; L252-M254 PolarHBondContact O-N 2.89Å
253	N	94.7	Very high	94.6	Very high	53 Å²	53	50.4 Å²	50.4	28%	0.283	27%	0.268	S	S	.	.			trans	-88.5	101.5	163.6	-170.9	-33.6	0	0	0	109	N138 E255 W256 S257	N138-N253 PolarHBondContact O-N 3.21Å; N253-E255 VanDerWaalsContact C-N 3.27Å; N253-E255 PolarHBondContact O-N 3.41Å; N253-E255 WeakPolarHBondContact OD1-CB 3.45Å; N253-E255 PolarHBondContact OD1-N 3.41Å; N253-W256 HydrophobicContact CB-CB 4.4Å; N253-W256 PolarHBondContact O-N 3.43Å; N253-W256 PolarHBondContact OD1-N 2.8Å; N253-S257 VanDerWaalsContact O-CB 3.3Å; N253-S257 WeakPolarHBondContact O-CB 3.27Å; N253-S257 PolarHBondContact O-N 2.81Å; N253-S257 PolarHBondContact O-OG 3.18Å
254	M	93.9	Very high	94.7	Very high	67 Å²	67	49.3 Å²	49.3	33%	0.33	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-19.5	-177.2	-58.8	-54.7	-65.8	0	0	113.6	L252 A287 G288 L289	L252-M254 HydrophobicContact CB-SD 3.89Å; L252-M254 HydrophobicContact CD1-SD 4.32Å; L252-M254 PolarHBondContact O-N 2.89Å; M254-A287 VanDerWaalsContact CE-O 3.23Å; M254-A287 WeakPolarHBondContact CE-O 3.27Å; M254-G288 WeakPolarHBondContact CE-O 3.29Å; M254-L289 HydrophobicContact CE-CD2 3.85Å; M254-L289 HydrophobicContact CE-CG 4.25Å
255	E	93.8	Very high	94.9	Very high	137 Å²	137	47.6 Å²	47.6	64%	0.64	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-33.4	175	-173.6	-176.1	-175.3	0	0	111.6	N253 R290	N253-E255 VanDerWaalsContact C-N 3.27Å; N253-E255 PolarHBondContact O-N 3.41Å; N253-E255 WeakPolarHBondContact OD1-CB 3.45Å; N253-E255 PolarHBondContact OD1-N 3.41Å; E255-R290 WeakPolarHBondContact O-CD 3.35Å; E255-R290 PolarHBondContact O-NH1 3.48Å
256	W	95.8	Very high	95	Very high	132 Å²	132	45.7 Å²	45.7	50%	0.5	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-25.9	179.3	-70.8	78.1	0	0	0	112.8	K139 F184 N253 F258	K139-W256 HydrophobicContact CG-CB 4.08Å; F184-W256 WeakPolarHBondContact CE1-O 3.49Å; F184-W256 HydrophobicContact CZ-CE3 4.27Å; N253-W256 HydrophobicContact CB-CB 4.4Å; N253-W256 PolarHBondContact O-N 3.43Å; N253-W256 PolarHBondContact OD1-N 2.8Å; W256-F258 WeakPolarHBondContact O-CD1 3.43Å
257	S	97.8	Very high	95.1	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.254	C	S	.	.			trans	-81.9	136.6	-178.7	-58.1	0	0	0	0	111.9	I140 N253 R290	I140-S257 PolarHBondContact N-OG 3.42Å; I140-S257 CarbonylContact O-C 3.55Å; I140-S257 VanDerWaalsContact O-CA 3.25Å; I140-S257 WeakPolarHBondContact O-CA 3.18Å; N253-S257 VanDerWaalsContact O-CB 3.3Å; N253-S257 WeakPolarHBondContact O-CB 3.27Å; N253-S257 PolarHBondContact O-N 2.81Å; N253-S257 PolarHBondContact O-OG 3.18Å; S257-R290 PolarHBondContact O-N 3.22Å
258	F	98.6	Very high	94.9	Very high	16 Å²	16	54.2 Å²	54.2	7%	0.07	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	160.7	-174.5	62.3	-95.9	0	0	0	112.8	I140 A141 A142 F143 L179 F184 W256 V260 R290 F297	I140-F258 PolarHBondContact O-N 2.95Å; A141-F258 HydrophobicContact CB-CE1 4.03Å; A141-F258 HydrophobicContact CB-CE2 3.91Å; A141-F258 HydrophobicContact CB-CZ 3.47Å; A141-F258 VanDerWaalsContact CB-CZ 3.47Å; A142-F258 PolarHBondContact N-O 3.13Å; F143-F258 HydrophobicContact CE1-CE2 4.36Å; F143-F258 AromaticContact CZ-CE2 3.91Å; F143-F258 HydrophobicContact CZ-CE2 3.91Å; F143-F258 HydrophobicContact CZ-CZ 4.41Å; L179-F258 HydrophobicContact CD1-CZ 4.15Å; L179-F258 HydrophobicContact CD2-CE1 4.27Å; L179-F258 HydrophobicContact CD2-CZ 3.89Å; F184-F258 HydrophobicContact CD1-CE1 4.13Å; F184-F258 HydrophobicContact CE1-CD1 4.23Å; F184-F258 AromaticContact CE1-CE1 3.64Å; F184-F258 HydrophobicContact CE1-CE1 3.64Å; F184-F258 HydrophobicContact CZ-CE1 4.25Å; W256-F258 WeakPolarHBondContact O-CD1 3.43Å; F258-V260 HydrophobicContact CD2-CG2 3.7Å; F258-V260 HydrophobicContact CE2-CG2 3.74Å; F258-R290 CarbonylContact C-O 3.51Å; F258-R290 WeakPolarHBondContact CA-O 3.5Å; F258-R290 HydrophobicContact CB-CB 3.98Å; F258-R290 WeakPolarHBondContact CB-O 3.3Å; F258-F297 HydrophobicContact CD2-CE2 4.27Å; F258-F297 HydrophobicContact CE1-CE2 4.33Å; F258-F297 HydrophobicContact CE2-CD2 4.14Å; F258-F297 AromaticContact CE2-CE2 3.5Å; F258-F297 HydrophobicContact CE2-CE2 3.5Å; F258-F297 AromaticContact CE2-CZ 3.76Å; F258-F297 HydrophobicContact CE2-CZ 3.76Å; F258-F297 AromaticContact CZ-CE2 3.54Å; F258-F297 HydrophobicContact CZ-CE2 3.54Å; F258-F297 AromaticContact CZ-CZ 3.66Å; F258-F297 HydrophobicContact CZ-CZ 3.66Å
259	F	98.8	Very high	94.7	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	132.7	171	-169.9	-111.6	0	0	0	110.3	A142 D144 F189 K233 D280 F283 A284 L289 R290 F291 Q292	A142-F259 HydrophobicContact CB-CD2 3.56Å; A142-F259 HydrophobicContact CB-CE2 4.22Å; A142-F259 CarbonylContact O-C 3.54Å; A142-F259 VanDerWaalsContact O-CA 3.25Å; A142-F259 WeakPolarHBondContact O-CA 3.49Å; D144-F259 HydrophobicContact CB-CZ 4.17Å; F189-F259 HydrophobicContact CB-CE2 4.05Å; F189-F259 HydrophobicContact CB-CZ 4.38Å; F189-F259 HydrophobicContact CD2-CD2 4.32Å; F189-F259 AromaticContact CD2-CE2 3.88Å; F189-F259 HydrophobicContact CD2-CE2 3.88Å; F189-F259 HydrophobicContact CG-CE2 4.46Å; K233-F259 HydrophobicContact CD-CZ 4.13Å; F259-D280 HydrophobicContact CD1-CB 4.25Å; F259-D280 WeakPolarHBondContact CD1-O 3.39Å; F259-D280 HydrophobicContact CE1-CB 3.59Å; F259-D280 WeakPolarHBondContact CE1-OD1 3.5Å; F259-F283 HydrophobicContact CD1-CD1 4.01Å; F259-F283 HydrophobicContact CD2-CD1 4.06Å; F259-F283 HydrophobicContact CD2-CE1 4.03Å; F259-F283 AromaticContact CE1-CD1 3.92Å; F259-F283 HydrophobicContact CE1-CD1 3.92Å; F259-F283 HydrophobicContact CE2-CD1 4.03Å; F259-F283 AromaticContact CE2-CE1 3.97Å; F259-F283 HydrophobicContact CE2-CE1 3.97Å; F259-F283 HydrophobicContact CG-CD1 4.08Å; F259-F283 HydrophobicContact CG-CE1 4.46Å; F259-F283 AromaticContact CZ-CD1 3.95Å; F259-F283 HydrophobicContact CZ-CD1 3.95Å; F259-F283 HydrophobicContact CZ-CE1 4.29Å; F259-A284 HydrophobicContact CB-CB 3.78Å; F259-A284 HydrophobicContact CD1-CB 4.19Å; F259-A284 HydrophobicContact CG-CB 4.37Å; F259-L289 HydrophobicContact CB-CB 4.4Å; F259-L289 HydrophobicContact CB-CD1 4.12Å; F259-R290 PolarHBondContact N-O 3.42Å; F259-F291 HydrophobicContact CD1-CD2 4.03Å; F259-F291 AromaticContact CD1-CE2 3.99Å; F259-F291 HydrophobicContact CD1-CE2 3.99Å; F259-F291 WeakPolarHBondContact O-CA 3.43Å; F259-F291 WeakPolarHBondContact O-CD2 3.38Å; F259-Q292 PolarHBondContact O-N 2.76Å; F259-Q292 VanDerWaalsContact O-N 3.14Å
260	V	98.8	Very high	94.2	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	129.2	174.1	-173	0	0	0	0	109.5	A142 F143 D144 T148 F258 Q292 P294 F297 F298	A142-V260 PolarHBondContact O-N 3.3Å; F143-V260 CarbonylContact C-O 3.59Å; F143-V260 WeakPolarHBondContact CA-O 3.45Å; F143-V260 HydrophobicContact CD1-CB 3.65Å; F143-V260 HydrophobicContact CD1-CG1 4.36Å; F143-V260 HydrophobicContact CD1-CG2 3.92Å; F143-V260 HydrophobicContact CE1-CB 3.9Å; F143-V260 HydrophobicContact CE1-CG2 3.63Å; F143-V260 HydrophobicContact CZ-CG2 4.44Å; D144-V260 PolarHBondContact N-O 3.37Å; T148-V260 HydrophobicContact CG2-CB 4.4Å; T148-V260 HydrophobicContact CG2-CG1 4.03Å; F258-V260 HydrophobicContact CD2-CG2 3.7Å; F258-V260 HydrophobicContact CE2-CG2 3.74Å; V260-Q292 VanDerWaalsContact CA-O 3.28Å; V260-Q292 WeakPolarHBondContact CA-O 3.25Å; V260-P294 HydrophobicContact CG1-CG 4.48Å; V260-F297 HydrophobicContact CG1-CB 3.86Å; V260-F297 HydrophobicContact CG1-CG 4.32Å; V260-F297 HydrophobicContact CG2-CB 3.95Å; V260-F297 HydrophobicContact CG2-CD1 4.06Å; V260-F297 HydrophobicContact CG2-CD2 3.88Å; V260-F297 HydrophobicContact CG2-CE2 4.45Å; V260-F297 HydrophobicContact CG2-CG 3.67Å; V260-F298 HydrophobicContact CG1-CE2 4.27Å
261	G	98.3	Very high	93.8	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	32%	0.315	C	S	.	.			trans	-161.5	152	179.2	0	0	0	0	0	113.8	T148 D280 F291 Q292 P294	T148-G261 WeakPolarHBondContact OG1-CA 3.42Å; G261-D280 VanDerWaalsContact CA-OD2 3.28Å; G261-D280 WeakPolarHBondContact CA-OD2 3.37Å; G261-F291 VanDerWaalsContact O-CZ 3.29Å; G261-F291 WeakPolarHBondContact O-CZ 3.25Å; G261-Q292 PolarHBondContact N-O 3.43Å; G261-P294 WeakPolarHBondContact O-CD 3.36Å
262	D	96.5	Very high	93.4	Very high	30 Å²	30	57.4 Å²	57.4	16%	0.16	28%	0.283	C	S	.	.	S	Bend	trans	-85.9	-26	-175.8	79.4	-57.8	0	0	0	112.7	T148 A264 R266 D280 P294	T148-D262 PolarHBondContact OG1-N 3.22Å; T148-D262 VanDerWaalsContact OG1-N 3.16Å; D262-A264 PolarHBondContact O-N 2.89Å; D262-R266 PolarHBondContact O-NH2 3.5Å; D262-D280 PolarHBondContact N-OD2 2.78Å; D262-D280 VanDerWaalsContact N-OD2 3.17Å; D262-P294 HydrophobicContact CB-CG 4.04Å
263	A	97	Very high	93.2	Very high	5 Å²	5	60.6 Å²	60.6	4%	0.041	31%	0.306	C	S	.	.			trans	-75.5	67	177	0	0	0	0	0	110.7	S277 C278 A279 D280 R281	A263-S277 CarbonylContact C-O 3.43Å; A263-S277 WeakPolarHBondContact CA-O 3.35Å; A263-C278 CarbonylContact O-C 3.45Å; A263-C278 WeakPolarHBondContact O-CA 3.36Å; A263-A279 HydrophobicContact CB-CB 4.36Å; A263-A279 PolarHBondContact O-N 2.85Å; A263-D280 HydrophobicContact CB-CB 4.12Å; A263-D280 WeakPolarHBondContact CB-OD2 3.42Å; A263-D280 PolarHBondContact N-OD2 2.89Å; A263-D280 WeakPolarHBondContact O-CB 3.4Å; A263-D280 PolarHBondContact O-N 3.07Å; A263-R281 PolarHBondContact O-N 3.41Å
264	A	97.3	Very high	93.1	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	32%	0.324	C	S	.	.	S	Bend	trans	-107.6	6.1	-165.8	0	0	0	0	0	113.8	D262 R266 D275 S277 R281 F291 T293 Y306	D262-A264 PolarHBondContact O-N 2.89Å; A264-R266 HydrophobicContact CB-CG 4.1Å; A264-R266 PolarHBondContact O-N 3.39Å; A264-D275 PolarHBondContact N-OD2 3.09Å; A264-S277 PolarHBondContact N-O 3.45Å; A264-R281 PolarHBondContact O-NE 3.2Å; A264-F291 HydrophobicContact CB-CE1 3.68Å; A264-F291 HydrophobicContact CB-CZ 3.74Å; A264-T293 HydrophobicContact CB-CG2 3.67Å; A264-Y306 WeakPolarHBondContact O-CB 3.5Å
265	G	96	Very high	93	Very high	12 Å²	12	63.1 Å²	63.1	12%	0.124	31%	0.314	C	S	.	.			trans	65	22	-179.8	0	0	0	0	0	114.2	D275 S277 Y306 K307	G265-D275 PolarHBondContact N-OD2 3.13Å; G265-D275 VanDerWaalsContact N-OD2 3.17Å; G265-S277 PolarHBondContact N-O 3.13Å; G265-S277 VanDerWaalsContact N-O 3.08Å; G265-Y306 CarbonylContact O-C 3.5Å; G265-Y306 VanDerWaalsContact O-CA 3.25Å; G265-Y306 WeakPolarHBondContact O-CA 3.35Å; G265-Y306 WeakPolarHBondContact O-CB 3.25Å; G265-K307 PolarHBondContact O-N 3.42Å
266	R	95.6	Very high	92.7	Very high	9 Å²	9	63.4 Å²	63.4	3%	0.034	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-64.8	145.6	-179.2	-63.1	171	-79.5	-169.1	-7.1	111.6	D262 A264 K274 D275 E295 E304 T305	D262-R266 PolarHBondContact O-NH2 3.5Å; A264-R266 HydrophobicContact CB-CG 4.1Å; A264-R266 PolarHBondContact O-N 3.39Å; R266-K274 WeakPolarHBondContact O-CA 3.42Å; R266-D275 VanDerWaalsContact CB-OD2 3.23Å; R266-D275 WeakPolarHBondContact CB-OD2 3.3Å; R266-D275 VanDerWaalsContact CG-OD2 3.3Å; R266-D275 WeakPolarHBondContact CG-OD2 3.38Å; R266-D275 IonicContact CZ-OD1 3.7Å; R266-D275 IonicContact CZ-OD2 2.65Å; R266-D275 PolarHBondContact N-OD2 3.36Å; R266-D275 IonicContact NE-OD1 2.78Å; R266-D275 PolarHBondContact NE-OD1 3.49Å; R266-D275 IonicContact NE-OD2 2.97Å; R266-D275 PolarHBondContact NE-OD2 3.24Å; R266-D275 IonicContact NH2-OD1 3.21Å; R266-D275 IonicContact NH2-OD2 2.9Å; R266-D275 PolarHBondContact O-N 2.9Å; R266-E295 IonicContact CZ-OE2 3.07Å; R266-E295 IonicContact NH1-OE1 2.63Å; R266-E295 IonicContact NH1-OE2 3.06Å; R266-E295 PolarHBondContact NH1-OE2 2.94Å; R266-E295 IonicContact NH2-OE2 3.63Å; R266-E304 WeakPolarHBondContact CD-OE1 3.15Å; R266-E304 HydrophobicContact CG-CB 4.14Å; R266-E304 IonicContact NH1-OE1 2.73Å; R266-E304 PolarHBondContact NH1-OE1 2.62Å; R266-T305 WeakPolarHBondContact CA-O 3.12Å
267	R	92.9	Very high	92.6	Very high	150 Å²	150	57.4 Å²	57.4	57%	0.566	29%	0.293	S	S	*	.	P	Polyproline II helix	trans	-69.3	164.1	176	-64.5	-175.2	177	-174.5	-0.7	111.1	R272 T305	R267-R272 PolarHBondContact O-NH2 3.26Å; R267-T305 PolarHBondContact N-O 3.41Å; R267-T305 VanDerWaalsContact N-O 3.07Å
268	A	89.9	Confident	92.5	Very high	68 Å²	68	57.5 Å²	57.5	56%	0.562	29%	0.294	S	S	*	.	P	Polyproline II helix	trans	-69.3	140.7	172.5	0	0	0	0	0	110.2	R272 K274	A268-R272 WeakPolarHBondContact CA-O 3.46Å; A268-K274 HydrophobicContact CB-CB 4.25Å
269	E	86.1	Confident	92.5	Very high	110 Å²	110	57 Å²	57	51%	0.514	29%	0.292	S	S	.	.	B	Isolated β-bridge	trans	-123.3	171	171.8	-63.6	-167.7	160.6	0	0	109.7	N271 R272	E269-N271 PolarHBondContact O-N 3.4Å; E269-R272 PolarHBondContact N-O 2.8Å; E269-R272 PolarHBondContact O-N 2.76Å; E269-R272 VanDerWaalsContact O-N 3.12Å
270	L	80.4	Confident	92.4	Very high	171 Å²	171	57 Å²	57	90%	0.895	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.2	-33.3	-173.1	-167.3	73	0	0	0	114
271	N	81.6	Confident	92.4	Very high	158 Å²	158	58.3 Å²	58.3	85%	0.845	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.1	12.3	-176.5	-64.6	-49.3	0	0	0	114	E269	E269-N271 PolarHBondContact O-N 3.4Å
272	R	85	Confident	92.4	Very high	50 Å²	50	58.3 Å²	58.3	19%	0.189	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-143.4	122.1	-177.1	-167	178.7	65.2	69.8	8.6	109.3	R267 A268 E269 D275 E304	R267-R272 PolarHBondContact O-NH2 3.26Å; A268-R272 WeakPolarHBondContact CA-O 3.46Å; E269-R272 PolarHBondContact N-O 2.8Å; E269-R272 PolarHBondContact O-N 2.76Å; E269-R272 VanDerWaalsContact O-N 3.12Å; R272-D275 IonicContact CZ-OD1 3.5Å; R272-D275 IonicContact NH1-OD1 3.59Å; R272-D275 PolarHBondContact NH1-OD1 2.89Å; R272-E304 IonicContact CZ-OE2 2.66Å; R272-E304 IonicContact NE-OE2 3.08Å; R272-E304 PolarHBondContact NE-OE2 3.38Å; R272-E304 IonicContact NH2-OE2 2.69Å; R272-E304 PolarHBondContact NH2-OE2 3.36Å
273	P	87.9	Confident	92.5	Very high	104 Å²	104	56.9 Å²	56.9	68%	0.675	29%	0.29	S	S	*	.	P	Polyproline II helix	trans	-61.6	162.7	172.2	29.6	-34.7	0	0	0	109.9
274	K	92.3	Very high	92.6	Very high	152 Å²	152	56.6 Å²	56.6	66%	0.661	29%	0.288	S	S	*	.	P	Polyproline II helix	trans	-54.8	151.8	168.3	65.8	175	-174.7	173.2	0	109.9	R266 A268 H276	R266-K274 WeakPolarHBondContact O-CA 3.42Å; A268-K274 HydrophobicContact CB-CB 4.25Å; K274-H276 PolarHBondContact O-N 3.34Å
275	D	93.3	Very high	92.6	Very high	21 Å²	21	59.9 Å²	59.9	11%	0.112	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-60.2	142.5	174	-67.7	-11.2	0	0	0	109.8	A264 G265 R266 R272 S277	A264-D275 PolarHBondContact N-OD2 3.09Å; G265-D275 PolarHBondContact N-OD2 3.13Å; G265-D275 VanDerWaalsContact N-OD2 3.17Å; R266-D275 VanDerWaalsContact CB-OD2 3.23Å; R266-D275 WeakPolarHBondContact CB-OD2 3.3Å; R266-D275 VanDerWaalsContact CG-OD2 3.3Å; R266-D275 WeakPolarHBondContact CG-OD2 3.38Å; R266-D275 IonicContact CZ-OD1 3.7Å; R266-D275 IonicContact CZ-OD2 2.65Å; R266-D275 PolarHBondContact N-OD2 3.36Å; R266-D275 IonicContact NE-OD1 2.78Å; R266-D275 PolarHBondContact NE-OD1 3.49Å; R266-D275 IonicContact NE-OD2 2.97Å; R266-D275 PolarHBondContact NE-OD2 3.24Å; R266-D275 IonicContact NH2-OD1 3.21Å; R266-D275 IonicContact NH2-OD2 2.9Å; R266-D275 PolarHBondContact O-N 2.9Å; R272-D275 IonicContact CZ-OD1 3.5Å; R272-D275 IonicContact NH1-OD1 3.59Å; R272-D275 PolarHBondContact NH1-OD1 2.89Å; D275-S277 WeakPolarHBondContact CB-O 3.47Å; D275-S277 PolarHBondContact O-N 3.06Å
276	H	87.4	Confident	92.7	Very high	143 Å²	143	60 Å²	60	66%	0.662	30%	0.303	S	S	*	.	S	Bend	trans	-72.1	-17.1	179.9	70.8	-86.1	0	0	0	112.5	K274	K274-H276 PolarHBondContact O-N 3.34Å
277	S	93.1	Very high	92.7	Very high	6 Å²	6	60.2 Å²	60.2	4%	0.042	31%	0.306	C	S	.	.			trans	-156.7	163.2	-176	-179.1	0	0	0	0	111.4	A263 A264 G265 D275 A279 Q497	A263-S277 CarbonylContact C-O 3.43Å; A263-S277 WeakPolarHBondContact CA-O 3.35Å; A264-S277 PolarHBondContact N-O 3.45Å; G265-S277 PolarHBondContact N-O 3.13Å; G265-S277 VanDerWaalsContact N-O 3.08Å; D275-S277 WeakPolarHBondContact CB-O 3.47Å; D275-S277 PolarHBondContact O-N 3.06Å; S277-A279 VanDerWaalsContact OG-CB 3.31Å; S277-A279 WeakPolarHBondContact OG-CB 3.48Å; S277-A279 PolarHBondContact OG-N 3.24Å; S277-Q497 VanDerWaalsContact CA-O 3.32Å; S277-Q497 WeakPolarHBondContact CA-O 3.44Å
278	C	95.8	Very high	92.9	Very high	3 Å²	3	55.2 Å²	55.2	2%	0.02	30%	0.302	C	S	.	.			trans	-112.5	13.1	168.4	-158	0	0	0	0	112.1	A263 D280 R281 L282	A263-C278 CarbonylContact O-C 3.45Å; A263-C278 WeakPolarHBondContact O-CA 3.36Å; C278-D280 VanDerWaalsContact C-N 3.29Å; C278-D280 PolarHBondContact O-N 3.17Å; C278-R281 PolarHBondContact O-N 2.93Å; C278-L282 HydrophobicContact CB-CD1 4.04Å; C278-L282 HydrophobicContact CB-CG 4.19Å; C278-L282 WeakPolarHBondContact O-CB 3.46Å; C278-L282 WeakPolarHBondContact O-CG 3.47Å; C278-L282 PolarHBondContact O-N 3.21Å
279	A	97.7	Very high	93.3	Very high	4 Å²	4	52.5 Å²	52.5	3%	0.033	28%	0.278	C	S	.	.	H	α-helix	trans	-54.2	-39.3	-171.1	0	0	0	0	0	114.2	K233 A263 S277 F283 E496	K233-A279 HydrophobicContact CB-CB 4.34Å; A263-A279 HydrophobicContact CB-CB 4.36Å; A263-A279 PolarHBondContact O-N 2.85Å; S277-A279 VanDerWaalsContact OG-CB 3.31Å; S277-A279 WeakPolarHBondContact OG-CB 3.48Å; S277-A279 PolarHBondContact OG-N 3.24Å; A279-F283 WeakPolarHBondContact O-CB 3.33Å; A279-F283 PolarHBondContact O-N 2.87Å; A279-E496 HydrophobicContact CB-CB 4.38Å; A279-E496 HydrophobicContact CB-CG 3.84Å
280	D	98.5	Very high	93.8	Very high	2 Å²	2	53.7 Å²	53.7	1%	0.011	28%	0.277	C	S	.	.	H	α-helix	trans	-73.6	-45.6	-175.4	-73.8	-24.7	0	0	0	112.2	K233 F259 G261 D262 A263 C278 L282 F283 A284 F291	K233-D280 VanDerWaalsContact CE-OD1 3.31Å; K233-D280 WeakPolarHBondContact CE-OD1 3.31Å; K233-D280 IonicContact NZ-OD1 3.94Å; K233-D280 PolarHBondContact NZ-OD1 3.03Å; F259-D280 HydrophobicContact CD1-CB 4.25Å; F259-D280 WeakPolarHBondContact CD1-O 3.39Å; F259-D280 HydrophobicContact CE1-CB 3.59Å; F259-D280 WeakPolarHBondContact CE1-OD1 3.5Å; G261-D280 VanDerWaalsContact CA-OD2 3.28Å; G261-D280 WeakPolarHBondContact CA-OD2 3.37Å; D262-D280 PolarHBondContact N-OD2 2.78Å; D262-D280 VanDerWaalsContact N-OD2 3.17Å; A263-D280 HydrophobicContact CB-CB 4.12Å; A263-D280 WeakPolarHBondContact CB-OD2 3.42Å; A263-D280 PolarHBondContact N-OD2 2.89Å; A263-D280 WeakPolarHBondContact O-CB 3.4Å; A263-D280 PolarHBondContact O-N 3.07Å; C278-D280 VanDerWaalsContact C-N 3.29Å; C278-D280 PolarHBondContact O-N 3.17Å; D280-L282 VanDerWaalsContact C-N 3.31Å; D280-L282 PolarHBondContact O-N 2.78Å; D280-F283 WeakPolarHBondContact O-CB 3.34Å; D280-F283 PolarHBondContact O-N 3.49Å; D280-A284 PolarHBondContact O-N 3.2Å; D280-F291 HydrophobicContact CB-CE2 3.81Å; D280-F291 HydrophobicContact CB-CZ 4.15Å
281	R	98.3	Very high	94.7	Very high	26 Å²	26	47.1 Å²	47.1	10%	0.098	24%	0.242	C	C	.	.	H	α-helix	trans	-61.6	-43.2	174.9	-178.4	-179.9	-62.3	-77.9	-0.4	110.9	A263 A264 C278 A284 L285 F291 Y306	A263-R281 PolarHBondContact O-N 3.41Å; A264-R281 PolarHBondContact O-NE 3.2Å; C278-R281 PolarHBondContact O-N 2.93Å; R281-A284 PolarHBondContact O-N 3.29Å; R281-L285 WeakPolarHBondContact O-CB 3.37Å; R281-L285 PolarHBondContact O-N 2.88Å; R281-F291 HydrophobicContact CB-CD1 4.01Å; R281-F291 HydrophobicContact CB-CD2 4.46Å; R281-F291 HydrophobicContact CB-CE1 3.79Å; R281-F291 HydrophobicContact CB-CE2 4.28Å; R281-F291 HydrophobicContact CB-CG 4.31Å; R281-F291 HydrophobicContact CB-CZ 3.91Å; R281-F291 HydrophobicContact CG-CD1 3.95Å; R281-F291 HydrophobicContact CG-CE1 4.17Å; R281-F291 HydrophobicContact CG-CG 4.31Å; R281-F291 VanDerWaalsContact NH1-CD1 3.33Å; R281-Y306 VanDerWaalsContact CZ-CD1 3.45Å
282	L	98.2	Very high	95.5	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-70.4	-34.8	179.7	-64.2	179.2	0	0	0	112.2	P234 C278 D280 L285 N286 M308 P309 Y493	P234-L282 HydrophobicContact CB-CB 3.51Å; P234-L282 HydrophobicContact CG-CB 4.16Å; C278-L282 HydrophobicContact CB-CD1 4.04Å; C278-L282 HydrophobicContact CB-CG 4.19Å; C278-L282 WeakPolarHBondContact O-CB 3.46Å; C278-L282 WeakPolarHBondContact O-CG 3.47Å; C278-L282 PolarHBondContact O-N 3.21Å; D280-L282 VanDerWaalsContact C-N 3.31Å; D280-L282 PolarHBondContact O-N 2.78Å; L282-L285 HydrophobicContact CD2-CD2 4.47Å; L282-L285 PolarHBondContact O-N 2.88Å; L282-N286 WeakPolarHBondContact O-CB 3.16Å; L282-N286 VanDerWaalsContact O-CG 3.28Å; L282-N286 PolarHBondContact O-N 3.45Å; L282-N286 PolarHBondContact O-ND2 3.32Å; L282-M308 HydrophobicContact CD2-CE 3.67Å; L282-M308 HydrophobicContact CD2-SD 4.34Å; L282-P309 HydrophobicContact CD1-CG 3.63Å; L282-P309 HydrophobicContact CD2-CG 3.93Å; L282-P309 HydrophobicContact CG-CG 4.39Å; L282-Y493 HydrophobicContact CB-CG 4.28Å; L282-Y493 HydrophobicContact CD1-CD1 4.15Å; L282-Y493 HydrophobicContact CD1-CG 4.24Å; L282-Y493 HydrophobicContact CD2-CD1 3.79Å; L282-Y493 HydrophobicContact CD2-CD2 3.85Å; L282-Y493 HydrophobicContact CD2-CE1 3.98Å; L282-Y493 HydrophobicContact CD2-CE2 4.07Å; L282-Y493 HydrophobicContact CD2-CG 3.7Å; L282-Y493 HydrophobicContact CG-CD1 4.48Å; L282-Y493 HydrophobicContact CG-CG 4.27Å
283	F	98.6	Very high	96.1	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-60.2	-50.2	171.7	178.5	-103.9	0	0	0	111.2	F189 K233 P234 R235 L236 W239 F259 A279 D280 L285 N286 A287	F189-F283 HydrophobicContact CB-CE1 4.34Å; F189-F283 HydrophobicContact CB-CZ 4.32Å; F189-F283 HydrophobicContact CD1-CZ 4.25Å; F189-F283 AromaticContact CD2-CE1 3.65Å; F189-F283 HydrophobicContact CD2-CE1 3.65Å; F189-F283 AromaticContact CD2-CZ 3.8Å; F189-F283 HydrophobicContact CD2-CZ 3.8Å; F189-F283 HydrophobicContact CE2-CE1 4.16Å; F189-F283 HydrophobicContact CE2-CZ 4.15Å; F189-F283 HydrophobicContact CG-CE1 4.04Å; F189-F283 AromaticContact CG-CZ 3.87Å; F189-F283 HydrophobicContact CG-CZ 3.87Å; K233-F283 HydrophobicContact CB-CB 4.21Å; K233-F283 HydrophobicContact CB-CD2 4.18Å; K233-F283 HydrophobicContact CB-CG 4.38Å; K233-F283 HydrophobicContact CD-CB 4.35Å; K233-F283 HydrophobicContact CD-CD1 4.36Å; K233-F283 HydrophobicContact CD-CD2 4.33Å; K233-F283 HydrophobicContact CD-CG 4.1Å; K233-F283 HydrophobicContact CG-CB 4.26Å; K233-F283 HydrophobicContact CG-CD2 3.71Å; K233-F283 HydrophobicContact CG-CE2 4.12Å; K233-F283 HydrophobicContact CG-CG 3.95Å; P234-F283 HydrophobicContact CB-CB 4.45Å; R235-F283 WeakPolarHBondContact O-CD2 3.23Å; R235-F283 WeakPolarHBondContact O-CE2 3.27Å; L236-F283 HydrophobicContact CD2-CD2 4.18Å; L236-F283 HydrophobicContact CD2-CE2 4.16Å; W239-F283 HydrophobicContact CB-CE2 4.05Å; W239-F283 HydrophobicContact CB-CZ 3.75Å; F259-F283 HydrophobicContact CD1-CD1 4.01Å; F259-F283 HydrophobicContact CD2-CD1 4.06Å; F259-F283 HydrophobicContact CD2-CE1 4.03Å; F259-F283 AromaticContact CE1-CD1 3.92Å; F259-F283 HydrophobicContact CE1-CD1 3.92Å; F259-F283 HydrophobicContact CE2-CD1 4.03Å; F259-F283 AromaticContact CE2-CE1 3.97Å; F259-F283 HydrophobicContact CE2-CE1 3.97Å; F259-F283 HydrophobicContact CG-CD1 4.08Å; F259-F283 HydrophobicContact CG-CE1 4.46Å; F259-F283 AromaticContact CZ-CD1 3.95Å; F259-F283 HydrophobicContact CZ-CD1 3.95Å; F259-F283 HydrophobicContact CZ-CE1 4.29Å; A279-F283 WeakPolarHBondContact O-CB 3.33Å; A279-F283 PolarHBondContact O-N 2.87Å; D280-F283 WeakPolarHBondContact O-CB 3.34Å; D280-F283 PolarHBondContact O-N 3.49Å; F283-L285 VanDerWaalsContact C-N 3.32Å; F283-L285 PolarHBondContact O-N 3.3Å; F283-N286 PolarHBondContact O-N 2.59Å; F283-A287 WeakPolarHBondContact O-CB 3.18Å; F283-A287 PolarHBondContact O-N 3.36Å
284	A	98.3	Very high	96.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-58.5	-45.1	176.6	0	0	0	0	0	111.7	F259 D280 R281 N286 A287 G288 L289 F291	F259-A284 HydrophobicContact CB-CB 3.78Å; F259-A284 HydrophobicContact CD1-CB 4.19Å; F259-A284 HydrophobicContact CG-CB 4.37Å; D280-A284 PolarHBondContact O-N 3.2Å; R281-A284 PolarHBondContact O-N 3.29Å; A284-N286 VanDerWaalsContact C-N 3.33Å; A284-N286 PolarHBondContact O-N 3.37Å; A284-A287 CarbonylContact O-C 3.5Å; A284-A287 PolarHBondContact O-N 2.78Å; A284-G288 PolarHBondContact O-N 3.22Å; A284-L289 HydrophobicContact CB-CB 4.3Å; A284-L289 PolarHBondContact O-N 2.89Å; A284-F291 HydrophobicContact CB-CB 3.82Å; A284-F291 HydrophobicContact CB-CD2 3.72Å; A284-F291 HydrophobicContact CB-CG 4.16Å
285	L	97.3	Very high	96.7	Very high	69 Å²	69	30.1 Å²	30.1	36%	0.361	15%	0.153	S	C	.	.	H	α-helix	trans	-64.4	-34.8	178.2	-176.7	61.3	0	0	0	113.1	R281 L282 F283 M308 K314 Y493	R281-L285 WeakPolarHBondContact O-CB 3.37Å; R281-L285 PolarHBondContact O-N 2.88Å; L282-L285 HydrophobicContact CD2-CD2 4.47Å; L282-L285 PolarHBondContact O-N 2.88Å; F283-L285 VanDerWaalsContact C-N 3.32Å; F283-L285 PolarHBondContact O-N 3.3Å; L285-M308 HydrophobicContact CD2-CE 3.61Å; L285-K314 HydrophobicContact CG-CD 4.49Å; L285-K314 WeakPolarHBondContact O-CE 3.49Å; L285-K314 PolarHBondContact O-NZ 2.9Å; L285-Y493 HydrophobicContact CD2-CD2 4.05Å; L285-Y493 HydrophobicContact CD2-CE2 3.41Å; L285-Y493 VanDerWaalsContact CD2-CE2 3.41Å; L285-Y493 HydrophobicContact CG-CE2 4.25Å
286	N	97.8	Very high	96.8	Very high	14 Å²	14	30 Å²	30	8%	0.075	15%	0.152	C	C	.	.	H	α-helix	trans	-68.8	-42.6	173.1	-76.3	-21	0	0	0	111.4	P234 L236 L282 F283 A284 G288 M492 Y493	P234-N286 PolarHBondContact O-ND2 2.83Å; L236-N286 HydrophobicContact CD1-CB 4.11Å; L236-N286 HydrophobicContact CD2-CB 3.63Å; L236-N286 HydrophobicContact CG-CB 3.88Å; L282-N286 WeakPolarHBondContact O-CB 3.16Å; L282-N286 VanDerWaalsContact O-CG 3.28Å; L282-N286 PolarHBondContact O-N 3.45Å; L282-N286 PolarHBondContact O-ND2 3.32Å; F283-N286 PolarHBondContact O-N 2.59Å; A284-N286 VanDerWaalsContact C-N 3.33Å; A284-N286 PolarHBondContact O-N 3.37Å; N286-G288 VanDerWaalsContact C-N 3.25Å; N286-G288 PolarHBondContact O-N 3.1Å; N286-M492 HydrophobicContact CB-CG 4.45Å; N286-M492 WeakPolarHBondContact OD1-CA 3.32Å; N286-Y493 PolarHBondContact ND2-N 3.32Å; N286-Y493 PolarHBondContact ND2-O 3.5Å; N286-Y493 PolarHBondContact OD1-N 3.01Å
287	A	96.8	Very high	97.3	Very high	13 Å²	13	24.6 Å²	24.6	11%	0.107	13%	0.127	C	C	.	.	H	α-helix	trans	-75.1	-13.6	-179.5	0	0	0	0	0	113.3	L236 W239 M254 F283 A284 L289	L236-A287 HydrophobicContact CD2-CB 3.83Å; W239-A287 HydrophobicContact CD2-CB 4.15Å; W239-A287 HydrophobicContact CG-CB 4.1Å; M254-A287 VanDerWaalsContact CE-O 3.23Å; M254-A287 WeakPolarHBondContact CE-O 3.27Å; F283-A287 WeakPolarHBondContact O-CB 3.18Å; F283-A287 PolarHBondContact O-N 3.36Å; A284-A287 CarbonylContact O-C 3.5Å; A284-A287 PolarHBondContact O-N 2.78Å; A287-L289 VanDerWaalsContact C-N 3.31Å; A287-L289 HydrophobicContact CB-CD1 3.88Å; A287-L289 HydrophobicContact CB-CG 3.9Å
288	G	96	Very high	97.5	Very high	46 Å²	46	24.3 Å²	24.3	47%	0.474	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.1	13	-173.6	0	0	0	0	0	113.9	M254 A284 N286	M254-G288 WeakPolarHBondContact CE-O 3.29Å; A284-G288 PolarHBondContact O-N 3.22Å; N286-G288 VanDerWaalsContact C-N 3.25Å; N286-G288 PolarHBondContact O-N 3.1Å
289	L	97.8	Very high	97.5	Very high	11 Å²	11	27.6 Å²	27.6	6%	0.058	14%	0.142	C	C	.	.			trans	-80.9	147.4	-178.8	-65.6	170.2	0	0	0	111.3	W239 M254 F259 A284 A287	W239-L289 HydrophobicContact CE3-CD1 4.16Å; W239-L289 HydrophobicContact CH2-CD1 3.86Å; W239-L289 HydrophobicContact CH2-CD2 3.81Å; W239-L289 HydrophobicContact CH2-CG 4.23Å; W239-L289 HydrophobicContact CZ2-CD1 4.27Å; W239-L289 HydrophobicContact CZ2-CD2 4.12Å; W239-L289 HydrophobicContact CZ2-CG 4.35Å; W239-L289 HydrophobicContact CZ3-CD1 3.8Å; M254-L289 HydrophobicContact CE-CD2 3.85Å; M254-L289 HydrophobicContact CE-CG 4.25Å; F259-L289 HydrophobicContact CB-CB 4.4Å; F259-L289 HydrophobicContact CB-CD1 4.12Å; A284-L289 HydrophobicContact CB-CB 4.3Å; A284-L289 PolarHBondContact O-N 2.89Å; A287-L289 VanDerWaalsContact C-N 3.31Å; A287-L289 HydrophobicContact CB-CD1 3.88Å; A287-L289 HydrophobicContact CB-CG 3.9Å
290	R	98.1	Very high	97.3	Very high	134 Å²	134	30.4 Å²	30.4	51%	0.506	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	143.9	164.9	-68.7	174	59.5	-176.9	-2	109.6	E255 S257 F258 F259	E255-R290 WeakPolarHBondContact O-CD 3.35Å; E255-R290 PolarHBondContact O-NH1 3.48Å; S257-R290 PolarHBondContact O-N 3.22Å; F258-R290 CarbonylContact C-O 3.51Å; F258-R290 WeakPolarHBondContact CA-O 3.5Å; F258-R290 HydrophobicContact CB-CB 3.98Å; F258-R290 WeakPolarHBondContact CB-O 3.3Å; F259-R290 PolarHBondContact N-O 3.42Å
291	F	98.4	Very high	97.2	Very high	33 Å²	33	37.2 Å²	37.2	15%	0.145	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	138.6	-178.3	-177.5	-99.3	0	0	0	111.8	F259 G261 A264 D280 R281 A284 T293	F259-F291 HydrophobicContact CD1-CD2 4.03Å; F259-F291 AromaticContact CD1-CE2 3.99Å; F259-F291 HydrophobicContact CD1-CE2 3.99Å; F259-F291 WeakPolarHBondContact O-CA 3.43Å; F259-F291 WeakPolarHBondContact O-CD2 3.38Å; G261-F291 VanDerWaalsContact O-CZ 3.29Å; G261-F291 WeakPolarHBondContact O-CZ 3.25Å; A264-F291 HydrophobicContact CB-CE1 3.68Å; A264-F291 HydrophobicContact CB-CZ 3.74Å; D280-F291 HydrophobicContact CB-CE2 3.81Å; D280-F291 HydrophobicContact CB-CZ 4.15Å; R281-F291 HydrophobicContact CB-CD1 4.01Å; R281-F291 HydrophobicContact CB-CD2 4.46Å; R281-F291 HydrophobicContact CB-CE1 3.79Å; R281-F291 HydrophobicContact CB-CE2 4.28Å; R281-F291 HydrophobicContact CB-CG 4.31Å; R281-F291 HydrophobicContact CB-CZ 3.91Å; R281-F291 HydrophobicContact CG-CD1 3.95Å; R281-F291 HydrophobicContact CG-CE1 4.17Å; R281-F291 HydrophobicContact CG-CG 4.31Å; R281-F291 VanDerWaalsContact NH1-CD1 3.33Å; A284-F291 HydrophobicContact CB-CB 3.82Å; A284-F291 HydrophobicContact CB-CD2 3.72Å; A284-F291 HydrophobicContact CB-CG 4.16Å; F291-T293 HydrophobicContact CE1-CG2 4.22Å
292	Q	98.1	Very high	97	Very high	57 Å²	57	41 Å²	41	27%	0.266	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	152.5	170.2	-62.9	-174.4	-82.1	0	0	110.8	F259 V260 G261 E296 F297	F259-Q292 PolarHBondContact O-N 2.76Å; F259-Q292 VanDerWaalsContact O-N 3.14Å; V260-Q292 VanDerWaalsContact CA-O 3.28Å; V260-Q292 WeakPolarHBondContact CA-O 3.25Å; G261-Q292 PolarHBondContact N-O 3.43Å; Q292-E296 VanDerWaalsContact CA-OE2 3.27Å; Q292-E296 WeakPolarHBondContact CA-OE2 3.23Å; Q292-E296 HydrophobicContact CB-CB 4.22Å; Q292-F297 HydrophobicContact CB-CB 4.23Å
293	T	97.8	Very high	96.8	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.258	C	S	.	.			trans	-79.4	162.2	169.7	62.6	0	0	0	0	111.2	A264 F291 E295 E296 F297	A264-T293 HydrophobicContact CB-CG2 3.67Å; F291-T293 HydrophobicContact CE1-CG2 4.22Å; T293-E295 PolarHBondContact O-N 2.94Å; T293-E296 WeakPolarHBondContact CG2-OE1 3.35Å; T293-E296 PolarHBondContact N-OE2 2.78Å; T293-E296 PolarHBondContact O-N 2.83Å; T293-E296 WeakPolarHBondContact OG1-CB 3.39Å; T293-E296 WeakPolarHBondContact OG1-CG 3.3Å; T293-E296 PolarHBondContact OG1-N 2.66Å; T293-E296 PolarHBondContact OG1-OE1 2.67Å; T293-F297 WeakPolarHBondContact O-CB 3.39Å; T293-F297 PolarHBondContact O-N 2.99Å
294	P	97.3	Very high	96.5	Very high	4 Å²	4	47.4 Å²	47.4	3%	0.026	26%	0.264	C	S	.	.	H	α-helix	trans	-58.2	-36.3	176.2	-23.2	33.5	0	0	0	112.2	T148 V260 G261 D262 F298	T148-P294 HydrophobicContact CG2-CG 4.09Å; V260-P294 HydrophobicContact CG1-CG 4.48Å; G261-P294 WeakPolarHBondContact O-CD 3.36Å; D262-P294 HydrophobicContact CB-CG 4.04Å; P294-F298 HydrophobicContact CB-CD2 4.06Å; P294-F298 HydrophobicContact CB-CE2 4.41Å; P294-F298 WeakPolarHBondContact O-CA 3.43Å; P294-F298 VanDerWaalsContact O-CB 3.29Å; P294-F298 WeakPolarHBondContact O-CB 3.3Å; P294-F298 VanDerWaalsContact O-CD2 3.3Å; P294-F298 WeakPolarHBondContact O-CD2 3.4Å; P294-F298 PolarHBondContact O-N 3.05Å
295	E	95.2	Very high	96.2	Very high	46 Å²	46	51.7 Å²	51.7	22%	0.215	29%	0.29	C	S	.	.	I	π-helix	trans	-68.8	-43.7	177.9	-67.3	74.5	-163.3	0	0	112.5	R266 T293 L299 G300 R301	R266-E295 IonicContact CZ-OE2 3.07Å; R266-E295 IonicContact NH1-OE1 2.63Å; R266-E295 IonicContact NH1-OE2 3.06Å; R266-E295 PolarHBondContact NH1-OE2 2.94Å; R266-E295 IonicContact NH2-OE2 3.63Å; T293-E295 PolarHBondContact O-N 2.94Å; E295-L299 HydrophobicContact CG-CD1 4.47Å; E295-L299 CarbonylContact O-C 3.5Å; E295-L299 WeakPolarHBondContact O-CA 3.11Å; E295-L299 VanDerWaalsContact O-CB 3.25Å; E295-L299 WeakPolarHBondContact O-CB 3.44Å; E295-L299 PolarHBondContact O-N 3.43Å; E295-L299 VanDerWaalsContact O-N 3.07Å; E295-G300 PolarHBondContact O-N 3.12Å; E295-G300 VanDerWaalsContact O-N 3.14Å; E295-R301 HydrophobicContact CB-CB 4.22Å; E295-R301 HydrophobicContact CB-CG 4.21Å; E295-R301 PolarHBondContact O-N 2.86Å
296	E	96.9	Very high	96.1	Very high	18 Å²	18	53.4 Å²	53.4	8%	0.084	29%	0.292	C	S	.	.	I	π-helix	trans	-60.2	-52.2	173	-72.1	156.1	-148.4	0	0	110	Q292 T293 G300 P303	Q292-E296 VanDerWaalsContact CA-OE2 3.27Å; Q292-E296 WeakPolarHBondContact CA-OE2 3.23Å; Q292-E296 HydrophobicContact CB-CB 4.22Å; T293-E296 WeakPolarHBondContact CG2-OE1 3.35Å; T293-E296 PolarHBondContact N-OE2 2.78Å; T293-E296 PolarHBondContact O-N 2.83Å; T293-E296 WeakPolarHBondContact OG1-CB 3.39Å; T293-E296 WeakPolarHBondContact OG1-CG 3.3Å; T293-E296 PolarHBondContact OG1-N 2.66Å; T293-E296 PolarHBondContact OG1-OE1 2.67Å; E296-G300 VanDerWaalsContact O-CA 3.29Å; E296-G300 WeakPolarHBondContact O-CA 3.17Å; E296-G300 PolarHBondContact O-N 3.5Å; E296-G300 VanDerWaalsContact O-N 3.08Å; E296-P303 WeakPolarHBondContact OE1-CA 3.43Å
297	F	97.8	Very high	95.9	Very high	31 Å²	31	59.4 Å²	59.4	14%	0.136	32%	0.318	C	S	.	.	I	π-helix	trans	-71.7	-53.5	-172.7	-173.2	-99.7	0	0	0	112.9	F143 K175 L179 F258 V260 Q292 T293	F143-F297 HydrophobicContact CE1-CD1 4.09Å; F143-F297 AromaticContact CE1-CE1 3.86Å; F143-F297 HydrophobicContact CE1-CE1 3.86Å; F143-F297 HydrophobicContact CE1-CZ 4.5Å; F143-F297 HydrophobicContact CZ-CE1 4.07Å; F143-F297 HydrophobicContact CZ-CZ 4.38Å; K175-F297 HydrophobicContact CD-CE1 4.21Å; K175-F297 PolarHBondContact NZ-O 3.37Å; L179-F297 HydrophobicContact CD1-CE1 4.24Å; L179-F297 HydrophobicContact CD1-CZ 3.91Å; L179-F297 HydrophobicContact CD2-CZ 4.48Å; F258-F297 HydrophobicContact CD2-CE2 4.27Å; F258-F297 HydrophobicContact CE1-CE2 4.33Å; F258-F297 HydrophobicContact CE2-CD2 4.14Å; F258-F297 AromaticContact CE2-CE2 3.5Å; F258-F297 HydrophobicContact CE2-CE2 3.5Å; F258-F297 AromaticContact CE2-CZ 3.76Å; F258-F297 HydrophobicContact CE2-CZ 3.76Å; F258-F297 AromaticContact CZ-CE2 3.54Å; F258-F297 HydrophobicContact CZ-CE2 3.54Å; F258-F297 AromaticContact CZ-CZ 3.66Å; F258-F297 HydrophobicContact CZ-CZ 3.66Å; V260-F297 HydrophobicContact CG1-CB 3.86Å; V260-F297 HydrophobicContact CG1-CG 4.32Å; V260-F297 HydrophobicContact CG2-CB 3.95Å; V260-F297 HydrophobicContact CG2-CD1 4.06Å; V260-F297 HydrophobicContact CG2-CD2 3.88Å; V260-F297 HydrophobicContact CG2-CE2 4.45Å; V260-F297 HydrophobicContact CG2-CG 3.67Å; Q292-F297 HydrophobicContact CB-CB 4.23Å; T293-F297 WeakPolarHBondContact O-CB 3.39Å; T293-F297 PolarHBondContact O-N 2.99Å
298	F	97.1	Very high	95.8	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	33%	0.327	C	S	.	.	I	π-helix	trans	-82.2	-35.5	-174.2	-64.1	-73.9	0	0	0	112.3	F143 T148 N169 K171 V172 K175 V260 P294	F143-F298 HydrophobicContact CD1-CZ 4.03Å; F143-F298 HydrophobicContact CE1-CE1 4.46Å; F143-F298 HydrophobicContact CE1-CE2 4.48Å; F143-F298 AromaticContact CE1-CZ 3.75Å; F143-F298 HydrophobicContact CE1-CZ 3.75Å; T148-F298 HydrophobicContact CG2-CE2 4.47Å; N169-F298 VanDerWaalsContact ND2-CB 3.33Å; N169-F298 WeakPolarHBondContact ND2-CB 3.11Å; K171-F298 VanDerWaalsContact CD-O 3.27Å; K171-F298 WeakPolarHBondContact CD-O 3.44Å; V172-F298 HydrophobicContact CB-CD1 4.48Å; V172-F298 HydrophobicContact CB-CE1 4.26Å; V172-F298 HydrophobicContact CG1-CE1 4.28Å; V172-F298 HydrophobicContact CG1-CZ 4.36Å; V172-F298 HydrophobicContact CG2-CD1 4.04Å; V172-F298 HydrophobicContact CG2-CD2 4.4Å; V172-F298 HydrophobicContact CG2-CE1 4.07Å; V172-F298 HydrophobicContact CG2-CE2 4.39Å; V172-F298 HydrophobicContact CG2-CG 4.26Å; V172-F298 HydrophobicContact CG2-CZ 4.25Å; K175-F298 HydrophobicContact CB-CD1 4.19Å; K175-F298 HydrophobicContact CB-CE1 4.16Å; K175-F298 HydrophobicContact CD-CD1 3.79Å; K175-F298 HydrophobicContact CD-CE1 4.45Å; K175-F298 HydrophobicContact CG-CD1 4.45Å; K175-F298 VanDerWaalsContact NZ-C 3.32Å; K175-F298 PolarHBondContact NZ-O 2.96Å; V260-F298 HydrophobicContact CG1-CE2 4.27Å; P294-F298 HydrophobicContact CB-CD2 4.06Å; P294-F298 HydrophobicContact CB-CE2 4.41Å; P294-F298 WeakPolarHBondContact O-CA 3.43Å; P294-F298 VanDerWaalsContact O-CB 3.29Å; P294-F298 WeakPolarHBondContact O-CB 3.3Å; P294-F298 VanDerWaalsContact O-CD2 3.3Å; P294-F298 WeakPolarHBondContact O-CD2 3.4Å; P294-F298 PolarHBondContact O-N 3.05Å
299	L	95.2	Very high	95.7	Very high	72 Å²	72	60.1 Å²	60.1	38%	0.377	31%	0.308	S	S	.	.	I	π-helix	trans	-106.5	-11	-171.4	-49.9	179.3	0	0	0	114.1	N169 E295 R301	N169-L299 HydrophobicContact CB-CD2 4.27Å; E295-L299 HydrophobicContact CG-CD1 4.47Å; E295-L299 CarbonylContact O-C 3.5Å; E295-L299 WeakPolarHBondContact O-CA 3.11Å; E295-L299 VanDerWaalsContact O-CB 3.25Å; E295-L299 WeakPolarHBondContact O-CB 3.44Å; E295-L299 PolarHBondContact O-N 3.43Å; E295-L299 VanDerWaalsContact O-N 3.07Å; L299-R301 VanDerWaalsContact C-N 3.32Å; L299-R301 HydrophobicContact CB-CG 4.27Å
300	G	94.7	Very high	95.5	Very high	63 Å²	63	63.5 Å²	63.5	65%	0.649	34%	0.338	S	S	*	.			trans	71.6	26.6	-179.1	0	0	0	0	0	113	E295 E296	E295-G300 PolarHBondContact O-N 3.12Å; E295-G300 VanDerWaalsContact O-N 3.14Å; E296-G300 VanDerWaalsContact O-CA 3.29Å; E296-G300 WeakPolarHBondContact O-CA 3.17Å; E296-G300 PolarHBondContact O-N 3.5Å; E296-G300 VanDerWaalsContact O-N 3.08Å
301	R	94.4	Very high	95.4	Very high	145 Å²	145	58.6 Å²	58.6	55%	0.547	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-70.3	151.2	174.3	-67.7	-158.5	-173.6	170.4	-2.1	110.8	E295 L299	E295-R301 HydrophobicContact CB-CB 4.22Å; E295-R301 HydrophobicContact CB-CG 4.21Å; E295-R301 PolarHBondContact O-N 2.86Å; L299-R301 VanDerWaalsContact C-N 3.32Å; L299-R301 HydrophobicContact CB-CG 4.27Å
302	P	94.8	Very high	95.3	Very high	104 Å²	104	60.2 Å²	60.2	68%	0.675	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-64.4	153.2	171.9	28.4	-35	0	0	0	110.9	E304	P302-E304 PolarHBondContact O-N 2.8Å
303	P	93.6	Very high	95.2	Very high	109 Å²	109	57.5 Å²	57.5	71%	0.708	32%	0.318	S	S	*	.	P	Polyproline II helix	trans	-57.8	135.2	176.5	-25.3	34.7	0	0	0	113.1	E296	E296-P303 WeakPolarHBondContact OE1-CA 3.43Å
304	E	92.3	Very high	95	Very high	27 Å²	27	62 Å²	62	13%	0.126	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-88.4	155.6	176.5	-67.9	178	-105.6	0	0	111.8	R266 R272 P302	R266-E304 WeakPolarHBondContact CD-OE1 3.15Å; R266-E304 HydrophobicContact CG-CB 4.14Å; R266-E304 IonicContact NH1-OE1 2.73Å; R266-E304 PolarHBondContact NH1-OE1 2.62Å; R272-E304 IonicContact CZ-OE2 2.66Å; R272-E304 IonicContact NE-OE2 3.08Å; R272-E304 PolarHBondContact NE-OE2 3.38Å; R272-E304 IonicContact NH2-OE2 2.69Å; R272-E304 PolarHBondContact NH2-OE2 3.36Å; P302-E304 PolarHBondContact O-N 2.8Å
305	T	93.7	Very high	94.8	Very high	90 Å²	90	64.7 Å²	64.7	55%	0.552	36%	0.36	S	S	*	.	P	Polyproline II helix	trans	-71.7	136.9	174.6	66.4	0	0	0	0	111.6	R266 R267	R266-T305 WeakPolarHBondContact CA-O 3.12Å; R267-T305 PolarHBondContact N-O 3.41Å; R267-T305 VanDerWaalsContact N-O 3.07Å
306	Y	94.6	Very high	94.5	Very high	105 Å²	105	63.8 Å²	63.8	41%	0.412	36%	0.356	S	S	.	.	B	Isolated β-bridge	trans	-130.8	164.1	-179.8	59.1	-89.9	0	0	0	112	A264 G265 R281 M308	A264-Y306 WeakPolarHBondContact O-CB 3.5Å; G265-Y306 CarbonylContact O-C 3.5Å; G265-Y306 VanDerWaalsContact O-CA 3.25Å; G265-Y306 WeakPolarHBondContact O-CA 3.35Å; G265-Y306 WeakPolarHBondContact O-CB 3.25Å; R281-Y306 VanDerWaalsContact CZ-CD1 3.45Å; Y306-M308 HydrophobicContact CD2-CG 4.22Å; Y306-M308 HydrophobicContact CD2-SD 4.09Å; Y306-M308 HydrophobicContact CE2-CG 3.87Å; Y306-M308 HydrophobicContact CE2-SD 3.76Å
307	K	93.4	Very high	94	Very high	139 Å²	139	67.9 Å²	67.9	60%	0.604	38%	0.382	S	S	*	.			trans	-111.4	122.7	175	-172.6	-179.9	178.5	-176.3	0	109.7	G265	G265-K307 PolarHBondContact O-N 3.42Å
308	M	94.8	Very high	93.4	Very high	61 Å²	61	70.9 Å²	70.9	30%	0.3	40%	0.399	S	S	.	.			trans	-78.5	155	170.4	-70.7	-60.9	-72.6	0	0	111.2	L282 L285 Y306 Y493	L282-M308 HydrophobicContact CD2-CE 3.67Å; L282-M308 HydrophobicContact CD2-SD 4.34Å; L285-M308 HydrophobicContact CD2-CE 3.61Å; Y306-M308 HydrophobicContact CD2-CG 4.22Å; Y306-M308 HydrophobicContact CD2-SD 4.09Å; Y306-M308 HydrophobicContact CE2-CG 3.87Å; Y306-M308 HydrophobicContact CE2-SD 3.76Å; M308-Y493 HydrophobicContact CE-CE2 4.4Å
309	P	94.2	Very high	93.1	Very high	13 Å²	13	74.7 Å²	74.7	8%	0.084	41%	0.413	C	S	.	.			trans	-47.9	138.1	168.2	-32.7	39.7	0	0	0	114.7	L282 F311 Y493 Q497	L282-P309 HydrophobicContact CD1-CG 3.63Å; L282-P309 HydrophobicContact CD2-CG 3.93Å; L282-P309 HydrophobicContact CG-CG 4.39Å; P309-F311 VanDerWaalsContact C-N 3.26Å; P309-F311 WeakPolarHBondContact CB-O 3.47Å; P309-F311 PolarHBondContact O-N 2.86Å; P309-Y493 HydrophobicContact CB-CD1 4.19Å; P309-Y493 HydrophobicContact CB-CE1 3.78Å; P309-Y493 HydrophobicContact CG-CD1 3.84Å; P309-Y493 HydrophobicContact CG-CE1 3.68Å; P309-Q497 VanDerWaalsContact CA-NE2 3.25Å; P309-Q497 VanDerWaalsContact CA-OE1 3.27Å; P309-Q497 VanDerWaalsContact CB-CD 3.46Å; P309-Q497 HydrophobicContact CB-CG 4.14Å; P309-Q497 HydrophobicContact CG-CG 3.84Å
310	A	94	Very high	92.9	Very high	82 Å²	82	73.8 Å²	73.8	68%	0.678	41%	0.413	S	S	*	.	S	Bend	trans	-63.3	-32.8	176.6	0	0	0	0	0	112.6	E427	A310-E427 HydrophobicContact CB-CG 4.26Å
311	F	95	Very high	92.8	Very high	31 Å²	31	74.9 Å²	74.9	14%	0.136	40%	0.403	C	S	.	.	S	Bend	trans	-97.5	123.8	171.7	178.7	-110.3	0	0	0	110.1	P309 P313 L316 E427 H428 H431	P309-F311 VanDerWaalsContact C-N 3.26Å; P309-F311 WeakPolarHBondContact CB-O 3.47Å; P309-F311 PolarHBondContact O-N 2.86Å; F311-P313 HydrophobicContact CD1-CB 4.49Å; F311-P313 HydrophobicContact CE1-CB 3.84Å; F311-P313 HydrophobicContact CE1-CG 4.5Å; F311-P313 HydrophobicContact CZ-CB 4.46Å; F311-P313 WeakPolarHBondContact O-CD 3.38Å; F311-L316 HydrophobicContact CZ-CD1 4.39Å; F311-E427 HydrophobicContact CB-CB 3.72Å; F311-H428 HydrophobicContact CD2-CB 3.68Å; F311-H428 AromaticContact CD2-CG 3.95Å; F311-H428 AromaticContact CE1-CD2 3.93Å; F311-H428 HydrophobicContact CE2-CB 3.72Å; F311-H428 AromaticContact CE2-CD2 3.6Å; F311-H428 AromaticContact CE2-CG 3.43Å; F311-H428 VanDerWaalsContact CE2-CG 3.43Å; F311-H428 AromaticContact CE2-ND1 3.8Å; F311-H428 HydrophobicContact CG-CB 4.12Å; F311-H428 HydrophobicContact CZ-CB 4.19Å; F311-H428 AromaticContact CZ-CD2 3.32Å; F311-H428 WeakPolarHBondContact CZ-CD2 3.33Å; F311-H428 AromaticContact CZ-CG 3.69Å; F311-H428 AromaticContact CZ-NE2 3.75Å; F311-H431 HydrophobicContact CD1-CB 3.81Å; F311-H431 AromaticContact CD1-CG 3.9Å; F311-H431 HydrophobicContact CE1-CB 3.78Å; F311-H431 AromaticContact CE1-CD2 3.54Å; F311-H431 AromaticContact CE1-CG 3.5Å
312	N	96	Very high	92.8	Very high	67 Å²	67	74.1 Å²	74.1	36%	0.358	41%	0.405	S	S	.	.			trans	-106.3	99	176.4	-179.3	5.6	0	0	0	110.2	K314 A315 Y493	N312-K314 PolarHBondContact O-N 2.9Å; N312-K314 WeakPolarHBondContact OD1-CB 3.33Å; N312-K314 PolarHBondContact OD1-N 2.78Å; N312-K314 VanDerWaalsContact OD1-N 3.13Å; N312-A315 HydrophobicContact CB-CB 4.22Å; N312-A315 WeakPolarHBondContact ND2-CB 3.26Å; N312-A315 PolarHBondContact O-N 2.97Å; N312-A315 VanDerWaalsContact O-N 3.1Å; N312-Y493 PolarHBondContact OD1-OH 3.24Å
313	P	96	Very high	92.7	Very high	0 Å²	0	72.5 Å²	72.5	0%	0	39%	0.389	C	S	.	.	G	3₁₀ helix	trans	-65.3	-24.4	-179.1	24.8	-32	0	0	0	113.4	F311 A315 L316 Y490 Q491 M492 Y493	F311-P313 HydrophobicContact CD1-CB 4.49Å; F311-P313 HydrophobicContact CE1-CB 3.84Å; F311-P313 HydrophobicContact CE1-CG 4.5Å; F311-P313 HydrophobicContact CZ-CB 4.46Å; F311-P313 WeakPolarHBondContact O-CD 3.38Å; P313-A315 PolarHBondContact O-N 2.9Å; P313-L316 WeakPolarHBondContact O-CB 3.4Å; P313-L316 PolarHBondContact O-N 3.33Å; P313-Y490 WeakPolarHBondContact CB-O 3.18Å; P313-Q491 CarbonylContact C-O 3.45Å; P313-M492 VanDerWaalsContact CG-C 3.48Å; P313-M492 WeakPolarHBondContact CG-O 3.43Å; P313-Y493 VanDerWaalsContact CD-CE1 3.49Å; P313-Y493 HydrophobicContact CG-CD1 3.97Å; P313-Y493 HydrophobicContact CG-CD2 4.42Å; P313-Y493 HydrophobicContact CG-CE1 4.2Å; P313-Y493 HydrophobicContact CG-CG 4.1Å
314	K	93.5	Very high	92.9	Very high	96 Å²	96	67.9 Å²	67.9	42%	0.417	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-71.2	-19.5	175.9	-66.7	-179.7	175.7	-76.7	0	112.9	L285 N312 Q491 Y493	L285-K314 HydrophobicContact CG-CD 4.49Å; L285-K314 WeakPolarHBondContact O-CE 3.49Å; L285-K314 PolarHBondContact O-NZ 2.9Å; N312-K314 PolarHBondContact O-N 2.9Å; N312-K314 WeakPolarHBondContact OD1-CB 3.33Å; N312-K314 PolarHBondContact OD1-N 2.78Å; N312-K314 VanDerWaalsContact OD1-N 3.13Å; K314-Q491 WeakPolarHBondContact CG-O 3.48Å; K314-Q491 PolarHBondContact N-O 2.73Å; K314-Y493 HydrophobicContact CD-CE2 4.29Å
315	A	93.2	Very high	93.1	Very high	60 Å²	60	67 Å²	67	50%	0.496	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-103.8	18.6	177.9	0	0	0	0	0	112.5	N312 P313 V317	N312-A315 HydrophobicContact CB-CB 4.22Å; N312-A315 WeakPolarHBondContact ND2-CB 3.26Å; N312-A315 PolarHBondContact O-N 2.97Å; N312-A315 VanDerWaalsContact O-N 3.1Å; P313-A315 PolarHBondContact O-N 2.9Å; A315-V317 PolarHBondContact O-N 3.3Å; A315-V317 VanDerWaalsContact O-N 3.14Å
316	L	90.4	Very high	93.2	Very high	27 Å²	27	65.3 Å²	65.3	14%	0.141	34%	0.34	C	S	.	.			trans	-62.4	115.6	178	-177.2	70.3	0	0	0	110.2	F311 P313 I318 F477 P479 Y490	F311-L316 HydrophobicContact CZ-CD1 4.39Å; P313-L316 WeakPolarHBondContact O-CB 3.4Å; P313-L316 PolarHBondContact O-N 3.33Å; L316-I318 PolarHBondContact O-N 3.05Å; L316-F477 HydrophobicContact CD1-CD1 4.4Å; L316-P479 HydrophobicContact CD2-CG 4.14Å; L316-Y490 HydrophobicContact CD2-CD1 3.7Å; L316-Y490 HydrophobicContact CD2-CE1 3.64Å
317	V	85.7	Confident	93.3	Very high	104 Å²	104	64.5 Å²	64.5	63%	0.63	35%	0.348	S	S	*	.			trans	-79.4	118.2	174.6	-179.3	0	0	0	0	108.9	A315 R319	A315-V317 PolarHBondContact O-N 3.3Å; A315-V317 VanDerWaalsContact O-N 3.14Å; V317-R319 HydrophobicContact CG1-CG 4.31Å; V317-R319 PolarHBondContact O-N 3.39Å
318	I	85.8	Confident	93.3	Very high	93 Å²	93	62 Å²	62	48%	0.477	34%	0.344	S	S	.	.			trans	-83.6	105.2	171.9	-57.5	178.5	0	0	0	107	L316 P479	L316-I318 PolarHBondContact O-N 3.05Å; I318-P479 HydrophobicContact CG1-CG 4.37Å
319	R	89.6	Confident	93.2	Very high	80 Å²	80	62.5 Å²	62.5	30%	0.302	37%	0.365	S	S	.	.			trans	-79.9	153.9	178.7	-62.7	-174.9	-165.9	-156.1	-1.8	110.9	V317 E323 E326 N476 L478	V317-R319 HydrophobicContact CG1-CG 4.31Å; V317-R319 PolarHBondContact O-N 3.39Å; R319-E323 HydrophobicContact CB-CB 4.15Å; R319-E323 WeakPolarHBondContact CB-OE2 3.49Å; R319-E326 IonicContact NH1-OE1 3.03Å; R319-E326 PolarHBondContact NH1-OE1 3.45Å; R319-N476 PolarHBondContact NH1-ND2 2.8Å; R319-N476 PolarHBondContact NH1-OD1 3.38Å; R319-L478 HydrophobicContact CB-CD1 4.13Å; R319-L478 HydrophobicContact CB-CG 4.38Å
320	S	91.9	Very high	93.3	Very high	53 Å²	53	63.3 Å²	63.3	37%	0.371	37%	0.371	S	S	.	.			trans	-78.1	165.8	172.7	80	0	0	0	0	110.8	E322 E323	S320-E322 WeakPolarHBondContact CB-OE2 3.44Å; S320-E322 PolarHBondContact O-N 3.48Å; S320-E322 PolarHBondContact OG-OE2 2.79Å; S320-E323 PolarHBondContact N-OE2 3.35Å; S320-E323 PolarHBondContact O-N 3.11Å; S320-E323 VanDerWaalsContact O-N 3.14Å
321	I	92.9	Very high	93.4	Very high	87 Å²	87	62.9 Å²	62.9	45%	0.446	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-65.3	-26.1	-178.5	-172.2	60	0	0	0	112.4	E323 L324 Y357 L478	I321-E323 PolarHBondContact O-N 3.05Å; I321-L324 HydrophobicContact CD1-CB 4.24Å; I321-L324 HydrophobicContact CD1-CD1 4.47Å; I321-L324 HydrophobicContact CD1-CD2 4.14Å; I321-L324 WeakPolarHBondContact O-CB 3.48Å; I321-L324 PolarHBondContact O-N 3.35Å; I321-Y357 HydrophobicContact CD1-CD1 4.22Å; I321-Y357 HydrophobicContact CD1-CE1 3.41Å; I321-Y357 VanDerWaalsContact CD1-CE1 3.41Å; I321-L478 HydrophobicContact CD1-CD2 4.1Å
322	E	93.4	Very high	93.5	Very high	128 Å²	128	63.2 Å²	63.2	60%	0.598	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-62.6	-27.9	176	-62.3	71.4	-153.5	0	0	111.9	S320 L324	S320-E322 WeakPolarHBondContact CB-OE2 3.44Å; S320-E322 PolarHBondContact O-N 3.48Å; S320-E322 PolarHBondContact OG-OE2 2.79Å; E322-L324 VanDerWaalsContact C-N 3.33Å
323	E	94	Very high	93.5	Very high	71 Å²	71	63 Å²	63	33%	0.332	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-93.8	21.1	176.1	-58	177.3	99.7	0	0	112.1	R319 S320 I321 L325 N476	R319-E323 HydrophobicContact CB-CB 4.15Å; R319-E323 WeakPolarHBondContact CB-OE2 3.49Å; S320-E323 PolarHBondContact N-OE2 3.35Å; S320-E323 PolarHBondContact O-N 3.11Å; S320-E323 VanDerWaalsContact O-N 3.14Å; I321-E323 PolarHBondContact O-N 3.05Å; E323-L325 PolarHBondContact O-N 3.27Å; E323-N476 WeakPolarHBondContact O-CB 3.23Å; E323-N476 PolarHBondContact O-ND2 2.83Å
324	L	96.2	Very high	93.4	Very high	12 Å²	12	65.5 Å²	65.5	6%	0.063	38%	0.378	C	S	.	.	S	Bend	trans	-59.1	-37	179.8	179.8	64.8	0	0	0	112.4	I321 E322 L332 F353 Y357 N476 L478	I321-L324 HydrophobicContact CD1-CB 4.24Å; I321-L324 HydrophobicContact CD1-CD1 4.47Å; I321-L324 HydrophobicContact CD1-CD2 4.14Å; I321-L324 WeakPolarHBondContact O-CB 3.48Å; I321-L324 PolarHBondContact O-N 3.35Å; E322-L324 VanDerWaalsContact C-N 3.33Å; L324-L332 HydrophobicContact CD2-CD1 4.08Å; L324-L332 HydrophobicContact CD2-CD2 4.47Å; L324-F353 HydrophobicContact CD1-CD2 4.17Å; L324-F353 HydrophobicContact CD1-CE2 3.61Å; L324-F353 HydrophobicContact CD2-CE2 4.13Å; L324-F353 HydrophobicContact CD2-CZ 4.34Å; L324-F353 HydrophobicContact CG-CE2 3.86Å; L324-F353 HydrophobicContact CG-CZ 4.41Å; L324-Y357 HydrophobicContact CD1-CD2 3.97Å; L324-Y357 HydrophobicContact CD1-CE1 4.26Å; L324-Y357 HydrophobicContact CD1-CE2 3.62Å; L324-Y357 HydrophobicContact CD1-CG 4.44Å; L324-Y357 HydrophobicContact CD2-CD1 3.76Å; L324-Y357 HydrophobicContact CD2-CD2 4.13Å; L324-Y357 HydrophobicContact CD2-CE1 4.07Å; L324-Y357 HydrophobicContact CD2-CE2 4.43Å; L324-Y357 HydrophobicContact CD2-CG 3.79Å; L324-N476 PolarHBondContact O-N 2.86Å; L324-L478 HydrophobicContact CD1-CD1 4.29Å; L324-L478 HydrophobicContact CD1-CD2 4.07Å
325	L	97.5	Very high	93.4	Very high	7 Å²	7	64.5 Å²	64.5	4%	0.037	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	143.2	-177.3	-62.3	-179	0	0	0	111.2	E323 P327 T328 L332 F353 F420 V473 R474 A475	E323-L325 PolarHBondContact O-N 3.27Å; L325-P327 CarbonylContact O-C 3.44Å; L325-P327 VanDerWaalsContact O-C 3.32Å; L325-T328 WeakPolarHBondContact O-CA 3.38Å; L325-T328 PolarHBondContact O-N 3.48Å; L325-L332 HydrophobicContact CD1-CB 4.45Å; L325-L332 HydrophobicContact CD1-CD1 4.26Å; L325-F353 HydrophobicContact CD2-CE2 4.31Å; L325-F353 HydrophobicContact CD2-CZ 3.98Å; L325-F420 HydrophobicContact CD1-CE2 4Å; L325-F420 HydrophobicContact CD1-CZ 4.09Å; L325-F420 HydrophobicContact CD2-CD2 4.05Å; L325-F420 HydrophobicContact CD2-CE2 3.95Å; L325-V473 HydrophobicContact CD1-CG2 4.37Å; L325-V473 HydrophobicContact CD2-CG2 4.08Å; L325-R474 CarbonylContact C-O 3.32Å; L325-R474 WeakPolarHBondContact CA-O 3.46Å; L325-A475 HydrophobicContact CD2-CB 4.05Å
326	E	95.3	Very high	93.5	Very high	55 Å²	55	68.6 Å²	68.6	26%	0.257	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	132.2	170.2	-60.6	-70	175.9	0	0	110.8	R319 V473 R474 N476	R319-E326 IonicContact NH1-OE1 3.03Å; R319-E326 PolarHBondContact NH1-OE1 3.45Å; E326-V473 WeakPolarHBondContact O-CA 3.38Å; E326-V473 WeakPolarHBondContact O-CB 3.3Å; E326-R474 HydrophobicContact CB-CB 4.08Å; E326-R474 PolarHBondContact N-O 3.19Å; E326-R474 PolarHBondContact O-N 3.02Å; E326-N476 VanDerWaalsContact CG-ND2 3.32Å; E326-N476 WeakPolarHBondContact CG-ND2 3.36Å; E326-N476 PolarHBondContact OE1-ND2 2.8Å
327	P	96	Very high	93.8	Very high	88 Å²	88	70.1 Å²	70.1	57%	0.571	41%	0.408	S	S	*	.	S	Bend	cis	-65.3	146.8	-3.8	-20.6	33.2	0	0	0	113.2	L325 G329 S330	L325-P327 CarbonylContact O-C 3.44Å; L325-P327 VanDerWaalsContact O-C 3.32Å; P327-G329 PolarHBondContact O-N 2.89Å; P327-S330 VanDerWaalsContact O-CB 3.26Å; P327-S330 WeakPolarHBondContact O-CB 3.45Å; P327-S330 PolarHBondContact O-N 3.07Å; P327-S330 PolarHBondContact O-OG 2.87Å
328	T	93.8	Very high	94.4	Very high	87 Å²	87	65.2 Å²	65.2	53%	0.534	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.4	135.5	176.2	-52.3	0	0	0	0	111.5	L325 S330	L325-T328 WeakPolarHBondContact O-CA 3.38Å; L325-T328 PolarHBondContact O-N 3.48Å; T328-S330 VanDerWaalsContact C-N 3.34Å
329	G	93.2	Very high	95	Very high	71 Å²	71	60.8 Å²	60.8	73%	0.732	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.5	-1.8	-175.2	0	0	0	0	0	114.8	P327	P327-G329 PolarHBondContact O-N 2.89Å
330	S	96.3	Very high	95.5	Very high	30 Å²	30	57 Å²	57	21%	0.21	34%	0.341	C	S	.	.			trans	-56.6	134.2	169.7	-67.5	0	0	0	0	110.9	P327 T328 L332	P327-S330 VanDerWaalsContact O-CB 3.26Å; P327-S330 WeakPolarHBondContact O-CB 3.45Å; P327-S330 PolarHBondContact O-N 3.07Å; P327-S330 PolarHBondContact O-OG 2.87Å; T328-S330 VanDerWaalsContact C-N 3.34Å; S330-L332 PolarHBondContact O-N 3.37Å
331	P	95.9	Very high	95.8	Very high	73 Å²	73	54.5 Å²	54.5	47%	0.474	32%	0.323	S	S	.	.			trans	-66.9	128.9	-176.2	25.3	-32.9	0	0	0	110.8	R418	P331-R418 PolarHBondContact O-NH1 2.99Å
332	L	96.7	Very high	96	Very high	39 Å²	39	50.3 Å²	50.3	20%	0.204	30%	0.302	C	S	.	.	S	Bend	trans	-65.8	-42.9	170.8	-177.8	64.7	0	0	0	110.6	L324 L325 S330 F353 L358 R418 F420	L324-L332 HydrophobicContact CD2-CD1 4.08Å; L324-L332 HydrophobicContact CD2-CD2 4.47Å; L325-L332 HydrophobicContact CD1-CB 4.45Å; L325-L332 HydrophobicContact CD1-CD1 4.26Å; S330-L332 PolarHBondContact O-N 3.37Å; L332-F353 HydrophobicContact CD1-CE1 4.41Å; L332-F353 HydrophobicContact CD1-CZ 4.03Å; L332-L358 HydrophobicContact CD1-CD2 3.92Å; L332-L358 HydrophobicContact CG-CD2 4.3Å; L332-R418 PolarHBondContact O-NH2 3.43Å; L332-F420 HydrophobicContact CD1-CE2 4.08Å
333	I	95.8	Very high	96.3	Very high	62 Å²	62	44.2 Å²	44.2	32%	0.318	27%	0.274	S	S	.	.			trans	-128.6	148.9	178.4	63.3	175.6	0	0	0	110.1	H361 F363	I333-H361 HydrophobicContact CG2-CB 3.97Å; I333-F363 HydrophobicContact CG2-CE2 3.8Å; I333-F363 HydrophobicContact CG2-CZ 4.4Å
334	T	95.3	Very high	96.4	Very high	52 Å²	52	41 Å²	41	32%	0.319	26%	0.26	S	S	.	.			trans	-96.3	-12.6	179	60.7	0	0	0	0	114	K336 E338	T334-K336 PolarHBondContact O-N 3.46Å; T334-K336 PolarHBondContact OG1-N 2.84Å; T334-K336 PolarHBondContact OG1-O 2.53Å; T334-E338 WeakPolarHBondContact CB-OE1 3.24Å; T334-E338 WeakPolarHBondContact CG2-OE1 3.49Å; T334-E338 PolarHBondContact N-OE1 3.36Å; T334-E338 PolarHBondContact OG1-OE1 2.83Å
335	G	92.3	Very high	96.3	Very high	76 Å²	76	41.3 Å²	41.3	78%	0.784	26%	0.261	S	S	*	.	S	Bend	trans	74.4	-0.4	-171	0	0	0	0	0	114.3
336	K	95.3	Very high	96.1	Very high	146 Å²	146	41.6 Å²	41.6	64%	0.635	26%	0.264	S	S	*	.	S	Bend	trans	-108.8	163.8	173.4	-61.9	179.7	-176.6	176.3	0	109.8	T334 E338 S390	T334-K336 PolarHBondContact O-N 3.46Å; T334-K336 PolarHBondContact OG1-N 2.84Å; T334-K336 PolarHBondContact OG1-O 2.53Å; K336-E338 PolarHBondContact O-N 2.9Å; K336-S390 PolarHBondContact O-OG 3.35Å
337	Q	97.6	Very high	95.9	Very high	58 Å²	58	39.3 Å²	39.3	27%	0.271	26%	0.255	S	S	.	.			trans	-63.1	130.1	169.9	-169.3	-176	15.5	0	0	109.7	L385 G388 S389 S390 V415	Q337-L385 PolarHBondContact NE2-O 2.7Å; Q337-G388 VanDerWaalsContact NE2-CA 3.25Å; Q337-S389 WeakPolarHBondContact CG-O 3.46Å; Q337-S389 PolarHBondContact NE2-O 3.36Å; Q337-S390 WeakPolarHBondContact CA-OG 3.4Å; Q337-V415 HydrophobicContact CB-CG1 4.2Å; Q337-V415 HydrophobicContact CG-CG1 3.97Å
338	E	98	Very high	95.8	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.009	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	159	-174.7	59.1	173.1	126.7	0	0	113	T334 K336 I340 F363 S390 I391 D416 R418	T334-E338 WeakPolarHBondContact CB-OE1 3.24Å; T334-E338 WeakPolarHBondContact CG2-OE1 3.49Å; T334-E338 PolarHBondContact N-OE1 3.36Å; T334-E338 PolarHBondContact OG1-OE1 2.83Å; K336-E338 PolarHBondContact O-N 2.9Å; E338-I340 WeakPolarHBondContact OE2-CG1 3.23Å; E338-F363 HydrophobicContact CG-CE1 3.9Å; E338-F363 HydrophobicContact CG-CZ 3.78Å; E338-S390 PolarHBondContact N-OG 2.82Å; E338-S390 CarbonylContact O-C 3.48Å; E338-S390 VanDerWaalsContact O-CA 3.29Å; E338-S390 WeakPolarHBondContact O-CA 3.4Å; E338-I391 PolarHBondContact O-N 2.88Å; E338-D416 WeakPolarHBondContact CA-O 3.38Å; E338-R418 VanDerWaalsContact CD-NH2 3.27Å; E338-R418 IonicContact OE1-CZ 2.74Å; E338-R418 IonicContact OE1-NH2 2.86Å; E338-R418 PolarHBondContact OE1-NH2 3.4Å; E338-R418 VanDerWaalsContact OE1-NH2 3.07Å; E338-R418 IonicContact OE2-CZ 3.12Å; E338-R418 IonicContact OE2-NE 3.69Å; E338-R418 PolarHBondContact OE2-NE 3.22Å; E338-R418 IonicContact OE2-NH2 3.7Å; E338-R418 PolarHBondContact OE2-NH2 3Å
339	V	98.5	Very high	95.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	119.7	170.4	180	0	0	0	0	109	V341 L385 I391 I393 A410 V415 D416 C417 R418	V339-V341 HydrophobicContact CG1-CG2 4.31Å; V339-L385 HydrophobicContact CG2-CD1 4.31Å; V339-L385 HydrophobicContact CG2-CD2 3.78Å; V339-I391 CarbonylContact C-O 3.46Å; V339-I391 WeakPolarHBondContact CA-O 3.47Å; V339-I393 HydrophobicContact CG1-CD1 4.5Å; V339-I393 HydrophobicContact CG1-CG1 4.09Å; V339-A410 HydrophobicContact CB-CB 4.15Å; V339-A410 HydrophobicContact CG2-CB 3.89Å; V339-V415 HydrophobicContact CG2-CG2 4Å; V339-D416 PolarHBondContact N-O 3.35Å; V339-C417 CarbonylContact O-C 3.49Å; V339-C417 VanDerWaalsContact O-CA 3.28Å; V339-C417 WeakPolarHBondContact O-CA 3.37Å; V339-R418 PolarHBondContact O-N 3.05Å
340	I	98.6	Very high	95.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	118.7	171.5	-63	175.9	0	0	0	109	E338 L342 L358 F363 I391 A392 I393 R418 F420	E338-I340 WeakPolarHBondContact OE2-CG1 3.23Å; I340-L342 HydrophobicContact CG2-CD2 3.86Å; I340-L358 HydrophobicContact CD1-CD1 4.26Å; I340-L358 HydrophobicContact CD1-CD2 3.91Å; I340-L358 HydrophobicContact CG2-CD1 4.32Å; I340-F363 HydrophobicContact CB-CE1 4.44Å; I340-F363 HydrophobicContact CD1-CD1 4.27Å; I340-F363 HydrophobicContact CD1-CE1 3.4Å; I340-F363 VanDerWaalsContact CD1-CE1 3.4Å; I340-F363 HydrophobicContact CD1-CZ 3.64Å; I340-F363 HydrophobicContact CG1-CE1 3.79Å; I340-F363 HydrophobicContact CG1-CZ 4.38Å; I340-I391 PolarHBondContact N-O 2.86Å; I340-A392 CarbonylContact O-C 3.58Å; I340-A392 WeakPolarHBondContact O-CA 3.26Å; I340-I393 PolarHBondContact O-N 2.76Å; I340-R418 CarbonylContact C-O 3.45Å; I340-R418 WeakPolarHBondContact CA-O 3.39Å; I340-R418 HydrophobicContact CG1-CB 4.47Å; I340-F420 HydrophobicContact CD1-CE1 4.21Å; I340-F420 HydrophobicContact CD1-CE2 4.4Å; I340-F420 HydrophobicContact CD1-CZ 3.98Å; I340-F420 HydrophobicContact CG1-CE1 4.41Å; I340-F420 HydrophobicContact CG2-CB 4.15Å; I340-F420 HydrophobicContact CG2-CD1 3.66Å; I340-F420 HydrophobicContact CG2-CD2 4.14Å; I340-F420 HydrophobicContact CG2-CE1 4.06Å; I340-F420 HydrophobicContact CG2-CE2 4.48Å; I340-F420 HydrophobicContact CG2-CG 3.73Å; I340-F420 HydrophobicContact CG2-CZ 4.46Å
341	V	98.6	Very high	95.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	112.2	172.3	-177.5	0	0	0	0	108.7	V339 V343 I393 N397 R403 R418 C419 F420 F469	V339-V341 HydrophobicContact CG1-CG2 4.31Å; V341-V343 HydrophobicContact CG1-CG2 4.19Å; V341-I393 HydrophobicContact CG2-CG1 4.28Å; V341-N397 HydrophobicContact CG1-CB 4.03Å; V341-N397 WeakPolarHBondContact CG1-ND2 3.36Å; V341-R403 HydrophobicContact CG1-CG 4.34Å; V341-R418 PolarHBondContact N-O 3.44Å; V341-C419 WeakPolarHBondContact O-CA 3.3Å; V341-F420 PolarHBondContact O-N 2.8Å; V341-F469 HydrophobicContact CB-CE1 4.01Å; V341-F469 HydrophobicContact CB-CZ 4.37Å; V341-F469 HydrophobicContact CG2-CE1 3.94Å
342	L	98.5	Very high	95.5	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	130.3	172.2	-55.4	-175.3	0	0	0	109	I340 K350 F353 F354 L358 I393 D394 N397 F420	I340-L342 HydrophobicContact CG2-CD2 3.86Å; L342-K350 HydrophobicContact CB-CD 4.12Å; L342-K350 HydrophobicContact CB-CG 4.39Å; L342-K350 HydrophobicContact CD1-CB 4.16Å; L342-F353 HydrophobicContact CD2-CD1 4.41Å; L342-F354 HydrophobicContact CD1-CB 4.21Å; L342-L358 HydrophobicContact CD2-CD1 4.22Å; L342-I393 WeakPolarHBondContact CB-O 3.42Å; L342-I393 PolarHBondContact N-O 3.42Å; L342-D394 HydrophobicContact CD1-CB 4.06Å; L342-N397 PolarHBondContact O-ND2 2.88Å; L342-F420 WeakPolarHBondContact CA-O 3.42Å; L342-F420 HydrophobicContact CD2-CB 3.71Å; L342-F420 HydrophobicContact CD2-CD2 4.4Å; L342-F420 HydrophobicContact CD2-CG 4.35Å
343	V	98.2	Very high	95.5	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	129	178.4	178.7	0	0	0	0	108.9	V341 N397 C419 F420 V421 M422 Y460 P463	V341-V343 HydrophobicContact CG1-CG2 4.19Å; V343-N397 HydrophobicContact CG2-CB 3.95Å; V343-C419 VanDerWaalsContact CG2-SG 3.56Å; V343-F420 PolarHBondContact N-O 2.8Å; V343-V421 HydrophobicContact CB-CG2 4.38Å; V343-V421 CarbonylContact O-C 3.58Å; V343-V421 WeakPolarHBondContact O-CA 3.36Å; V343-M422 PolarHBondContact O-N 2.75Å; V343-Y460 HydrophobicContact CG1-CE2 3.94Å; V343-P463 HydrophobicContact CB-CG 4.4Å; V343-P463 HydrophobicContact CG1-CG 4.11Å; V343-P463 HydrophobicContact CG2-CG 4.13Å
344	G	96.7	Very high	95.6	Very high	4 Å²	4	25.4 Å²	25.4	4%	0.041	15%	0.149	C	C	.	.			trans	166.2	163.5	174.7	0	0	0	0	0	115.5	K350 T396 F456	G344-K350 WeakPolarHBondContact O-CE 3.37Å; G344-K350 PolarHBondContact O-NZ 3.49Å; G344-T396 PolarHBondContact N-O 2.79Å; G344-T396 VanDerWaalsContact N-O 3.14Å; G344-F456 VanDerWaalsContact C-CE2 3.49Å; G344-F456 WeakPolarHBondContact O-CE2 3.36Å
345	I	94.7	Very high	95.6	Very high	18 Å²	18	26.4 Å²	26.4	9%	0.092	16%	0.155	C	C	.	.			trans	-58.2	140.6	-176.8	-49.8	171.2	0	0	0	110	G347 S348 K350 F426 A429 M453 F456	I345-G347 PolarHBondContact O-N 2.74Å; I345-S348 WeakPolarHBondContact O-CB 3.47Å; I345-S348 PolarHBondContact O-N 2.66Å; I345-S348 PolarHBondContact O-OG 2.92Å; I345-K350 PolarHBondContact O-NZ 3.19Å; I345-F426 VanDerWaalsContact CD1-CA 3.42Å; I345-F426 HydrophobicContact CD1-CB 3.98Å; I345-F426 HydrophobicContact CD1-CD2 4.21Å; I345-F426 HydrophobicContact CG2-CD2 4.33Å; I345-A429 HydrophobicContact CB-CB 3.99Å; I345-A429 HydrophobicContact CD1-CB 4.34Å; I345-A429 HydrophobicContact CG2-CB 3.86Å; I345-M453 HydrophobicContact CG2-CG 4.45Å; I345-F456 HydrophobicContact CB-CD1 4.04Å; I345-F456 HydrophobicContact CB-CE1 4.09Å; I345-F456 HydrophobicContact CD1-CE1 4.49Å; I345-F456 HydrophobicContact CG1-CD1 3.57Å; I345-F456 HydrophobicContact CG1-CE1 3.33Å; I345-F456 HydrophobicContact CG1-CZ 4.15Å; I345-F456 HydrophobicContact CG2-CD1 4.2Å
346	P	92.5	Very high	95.7	Very high	13 Å²	13	26.4 Å²	26.4	8%	0.084	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.2	134.7	165.8	-28.9	36.5	0	0	0	111.2	S348 T396 I448 V452 M453	P346-S348 VanDerWaalsContact C-N 3.33Å; P346-S348 PolarHBondContact O-N 2.81Å; P346-T396 HydrophobicContact CG-CG2 3.69Å; P346-I448 HydrophobicContact CB-CD1 4.42Å; P346-I448 HydrophobicContact CB-CG2 3.73Å; P346-V452 HydrophobicContact CB-CG1 4.23Å; P346-V452 HydrophobicContact CG-CG1 3.86Å; P346-M453 HydrophobicContact CB-CG 4.46Å; P346-M453 WeakPolarHBondContact O-CE 3.29Å
347	G	90.7	Very high	95.8	Very high	7 Å²	7	20.7 Å²	20.7	7%	0.072	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.1	4.5	-175	0	0	0	0	0	115.5	I345 G349 N432	I345-G347 PolarHBondContact O-N 2.74Å; G347-G349 PolarHBondContact O-N 3.27Å; G347-N432 PolarHBondContact O-ND2 2.79Å
348	S	94.2	Very high	95.8	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.007	10%	0.095	C	C	.	.	S	Bend	trans	-74.7	-6.9	175.8	66.8	0	0	0	0	115.2	I345 P346 K350 M422	I345-S348 WeakPolarHBondContact O-CB 3.47Å; I345-S348 PolarHBondContact O-N 2.66Å; I345-S348 PolarHBondContact O-OG 2.92Å; P346-S348 VanDerWaalsContact C-N 3.33Å; P346-S348 PolarHBondContact O-N 2.81Å; S348-K350 PolarHBondContact OG-NZ 3.22Å; S348-M422 WeakPolarHBondContact OG-CG 3.47Å
349	G	93.1	Very high	95.7	Very high	7 Å²	7	23.8 Å²	23.8	7%	0.072	12%	0.121	C	C	.	.	S	Bend	trans	94.1	10	-178.8	0	0	0	0	0	116	G347 S351 Y352 F353	G347-G349 PolarHBondContact O-N 3.27Å; G349-S351 PolarHBondContact O-N 3.47Å; G349-Y352 WeakPolarHBondContact O-CA 3.45Å; G349-Y352 WeakPolarHBondContact O-CB 3.11Å; G349-Y352 PolarHBondContact O-N 3.16Å; G349-Y352 VanDerWaalsContact O-N 3.09Å; G349-F353 PolarHBondContact O-N 3.03Å
350	K	95.1	Very high	95.7	Very high	15 Å²	15	28.2 Å²	28.2	7%	0.065	15%	0.15	C	C	.	.	H	α-helix	trans	-49.4	-51.9	178	-67.2	-178.8	-58.5	-66.7	0	114.4	L342 G344 I345 S348 Y352 F353 F354 D394 N395 M422	L342-K350 HydrophobicContact CB-CD 4.12Å; L342-K350 HydrophobicContact CB-CG 4.39Å; L342-K350 HydrophobicContact CD1-CB 4.16Å; G344-K350 WeakPolarHBondContact O-CE 3.37Å; G344-K350 PolarHBondContact O-NZ 3.49Å; I345-K350 PolarHBondContact O-NZ 3.19Å; S348-K350 PolarHBondContact OG-NZ 3.22Å; K350-Y352 VanDerWaalsContact C-N 3.25Å; K350-Y352 PolarHBondContact O-N 3.36Å; K350-F353 CarbonylContact O-C 3.46Å; K350-F353 WeakPolarHBondContact O-CA 3.14Å; K350-F353 VanDerWaalsContact O-CB 3.31Å; K350-F353 WeakPolarHBondContact O-CB 3.34Å; K350-F353 PolarHBondContact O-N 2.99Å; K350-F354 PolarHBondContact O-N 3.12Å; K350-D394 WeakPolarHBondContact CB-OD1 3.3Å; K350-N395 WeakPolarHBondContact CE-O 3.43Å; K350-M422 HydrophobicContact CB-CG 4.44Å; K350-M422 HydrophobicContact CB-SD 4.48Å; K350-M422 HydrophobicContact CD-CG 4.07Å; K350-M422 HydrophobicContact CG-CG 3.26Å; K350-M422 HydrophobicContact CG-SD 3.79Å
351	S	93.1	Very high	95.6	Very high	49 Å²	49	32.9 Å²	32.9	34%	0.343	17%	0.171	S	C	.	.	H	α-helix	trans	-63.9	-33.3	-179.2	-43.4	0	0	0	0	112.9	G349 T355 D394	G349-S351 PolarHBondContact O-N 3.47Å; S351-T355 WeakPolarHBondContact O-CB 3.49Å; S351-T355 PolarHBondContact O-N 3.11Å; S351-T355 PolarHBondContact O-OG1 3.24Å; S351-D394 WeakPolarHBondContact CA-OD2 3.47Å; S351-D394 WeakPolarHBondContact CB-OD2 3.28Å; S351-D394 PolarHBondContact N-OD1 2.82Å; S351-D394 PolarHBondContact OG-OD1 3.01Å; S351-D394 PolarHBondContact OG-OD2 3Å
352	Y	93.2	Very high	95.5	Very high	76 Å²	76	35.7 Å²	35.7	30%	0.298	20%	0.2	S	C	.	.	H	α-helix	trans	-68.9	-44.2	172.1	178.7	-93.2	0	0	0	111.1	G349 K350 F354 T355 K356 D480	G349-Y352 WeakPolarHBondContact O-CA 3.45Å; G349-Y352 WeakPolarHBondContact O-CB 3.11Å; G349-Y352 PolarHBondContact O-N 3.16Å; G349-Y352 VanDerWaalsContact O-N 3.09Å; K350-Y352 VanDerWaalsContact C-N 3.25Å; K350-Y352 PolarHBondContact O-N 3.36Å; Y352-F354 VanDerWaalsContact C-N 3.33Å; Y352-F354 PolarHBondContact O-N 3.4Å; Y352-T355 PolarHBondContact O-N 2.82Å; Y352-K356 HydrophobicContact CE1-CB 4.31Å; Y352-K356 HydrophobicContact CE1-CD 3.7Å; Y352-K356 HydrophobicContact CE2-CD 4.47Å; Y352-K356 WeakPolarHBondContact O-CB 3.48Å; Y352-K356 PolarHBondContact O-N 2.78Å; Y352-K356 WeakPolarHBondContact OH-CD 3.35Å; Y352-K356 PolarHBondContact OH-NZ 3.02Å; Y352-D480 HydrophobicContact CE1-CB 4.49Å; Y352-D480 WeakPolarHBondContact OH-CB 3.35Å; Y352-D480 VanDerWaalsContact OH-CG 3.29Å; Y352-D480 PolarHBondContact OH-OD2 3.22Å
353	F	96.3	Very high	95.5	Very high	5 Å²	5	36.2 Å²	36.2	2%	0.022	20%	0.202	C	C	.	.	H	α-helix	trans	-56.6	-47.5	174.1	-177.1	-79.5	0	0	0	111.2	L324 L325 L332 L342 G349 K350 Y357 L358 F420 M422 A475	L324-F353 HydrophobicContact CD1-CD2 4.17Å; L324-F353 HydrophobicContact CD1-CE2 3.61Å; L324-F353 HydrophobicContact CD2-CE2 4.13Å; L324-F353 HydrophobicContact CD2-CZ 4.34Å; L324-F353 HydrophobicContact CG-CE2 3.86Å; L324-F353 HydrophobicContact CG-CZ 4.41Å; L325-F353 HydrophobicContact CD2-CE2 4.31Å; L325-F353 HydrophobicContact CD2-CZ 3.98Å; L332-F353 HydrophobicContact CD1-CE1 4.41Å; L332-F353 HydrophobicContact CD1-CZ 4.03Å; L342-F353 HydrophobicContact CD2-CD1 4.41Å; G349-F353 PolarHBondContact O-N 3.03Å; K350-F353 CarbonylContact O-C 3.46Å; K350-F353 WeakPolarHBondContact O-CA 3.14Å; K350-F353 VanDerWaalsContact O-CB 3.31Å; K350-F353 WeakPolarHBondContact O-CB 3.34Å; K350-F353 PolarHBondContact O-N 2.99Å; F353-Y357 HydrophobicContact CB-CD2 4.41Å; F353-Y357 HydrophobicContact CD1-CD2 4.5Å; F353-Y357 AromaticContact CD2-CD2 3.63Å; F353-Y357 HydrophobicContact CD2-CD2 3.63Å; F353-Y357 HydrophobicContact CD2-CE2 4.1Å; F353-Y357 AromaticContact CE2-CD2 3.9Å; F353-Y357 HydrophobicContact CE2-CD2 3.9Å; F353-Y357 HydrophobicContact CE2-CE2 4.49Å; F353-Y357 AromaticContact CG-CD2 3.95Å; F353-Y357 HydrophobicContact CG-CD2 3.95Å; F353-Y357 HydrophobicContact CZ-CD2 4.41Å; F353-Y357 WeakPolarHBondContact O-CB 3.38Å; F353-Y357 WeakPolarHBondContact O-CD2 3.44Å; F353-Y357 PolarHBondContact O-N 2.57Å; F353-L358 HydrophobicContact CD1-CD1 4.35Å; F353-L358 HydrophobicContact CD1-CG 4.39Å; F353-L358 HydrophobicContact CE1-CD1 4.13Å; F353-L358 HydrophobicContact CE1-CD2 4.4Å; F353-L358 HydrophobicContact CE1-CG 4.05Å; F353-F420 AromaticContact CE1-CD2 3.72Å; F353-F420 HydrophobicContact CE1-CD2 3.72Å; F353-F420 HydrophobicContact CE1-CE2 4.06Å; F353-F420 AromaticContact CZ-CD2 3.84Å; F353-F420 HydrophobicContact CZ-CD2 3.84Å; F353-F420 HydrophobicContact CZ-CE2 4.05Å; F353-M422 HydrophobicContact CB-CE 4.16Å; F353-M422 HydrophobicContact CD2-CE 4.32Å; F353-M422 HydrophobicContact CG-CE 4.42Å; F353-A475 HydrophobicContact CD2-CB 3.97Å; F353-A475 HydrophobicContact CE2-CB 3.57Å; F353-A475 HydrophobicContact CZ-CB 4.01Å
354	F	96.5	Very high	95.4	Very high	5 Å²	5	37.4 Å²	37.4	2%	0.022	21%	0.209	C	C	.	.	I	π-helix	trans	-56.4	-53.4	173.9	168.8	-98.6	0	0	0	111.1	L342 K350 Y352 K356 L358 K359 F363 H365 A392	L342-F354 HydrophobicContact CD1-CB 4.21Å; K350-F354 PolarHBondContact O-N 3.12Å; Y352-F354 VanDerWaalsContact C-N 3.33Å; Y352-F354 PolarHBondContact O-N 3.4Å; F354-K356 VanDerWaalsContact C-N 3.32Å; F354-K356 PolarHBondContact O-N 3.42Å; F354-L358 HydrophobicContact CD2-CB 3.82Å; F354-L358 HydrophobicContact CD2-CD1 4.3Å; F354-L358 HydrophobicContact CE2-CB 4.21Å; F354-L358 PolarHBondContact O-N 3.4Å; F354-K359 HydrophobicContact CD1-CB 4.48Å; F354-K359 HydrophobicContact CE1-CB 3.87Å; F354-K359 HydrophobicContact CE1-CD 4.19Å; F354-K359 HydrophobicContact CE1-CG 4.19Å; F354-K359 HydrophobicContact CE2-CB 4.45Å; F354-K359 HydrophobicContact CZ-CB 3.85Å; F354-K359 HydrophobicContact CZ-CG 4.2Å; F354-K359 PolarHBondContact O-N 3.1Å; F354-F363 HydrophobicContact CE2-CB 3.99Å; F354-F363 WeakPolarHBondContact CZ-O 3.42Å; F354-H365 HydrophobicContact CD1-CB 4.19Å; F354-H365 AromaticContact CD1-CD2 3.55Å; F354-H365 AromaticContact CD1-CE1 3.87Å; F354-H365 AromaticContact CD1-CG 3.6Å; F354-H365 AromaticContact CD1-ND1 3.8Å; F354-H365 AromaticContact CD1-NE2 3.72Å; F354-H365 HydrophobicContact CE1-CB 3.36Å; F354-H365 AromaticContact CE1-CD2 3.67Å; F354-H365 AromaticContact CE1-CG 3.25Å; F354-H365 AromaticContact CE1-ND1 3.6Å; F354-H365 HydrophobicContact CE2-CB 4.08Å; F354-H365 AromaticContact CG-CD2 3.83Å; F354-H365 HydrophobicContact CZ-CB 3.31Å; F354-H365 AromaticContact CZ-CG 3.67Å; F354-A392 HydrophobicContact CD2-CB 3.44Å; F354-A392 VanDerWaalsContact CD2-CB 3.44Å; F354-A392 HydrophobicContact CE2-CB 3.66Å
355	T	95.1	Very high	95.4	Very high	72 Å²	72	39.5 Å²	39.5	44%	0.442	22%	0.218	S	C	.	.	I	π-helix	trans	-63.2	-39.5	-173.3	-59.5	0	0	0	0	112	S351 Y352	S351-T355 WeakPolarHBondContact O-CB 3.49Å; S351-T355 PolarHBondContact O-N 3.11Å; S351-T355 PolarHBondContact O-OG1 3.24Å; Y352-T355 PolarHBondContact O-N 2.82Å
356	K	95.5	Very high	95.5	Very high	76 Å²	76	38.6 Å²	38.6	33%	0.33	21%	0.214	S	C	.	.	I	π-helix	trans	-83.5	-39.6	-176.8	-176.1	160	178.4	172.8	0	113.4	Y352 F354 P360 D480	Y352-K356 HydrophobicContact CE1-CB 4.31Å; Y352-K356 HydrophobicContact CE1-CD 3.7Å; Y352-K356 HydrophobicContact CE2-CD 4.47Å; Y352-K356 WeakPolarHBondContact O-CB 3.48Å; Y352-K356 PolarHBondContact O-N 2.78Å; Y352-K356 WeakPolarHBondContact OH-CD 3.35Å; Y352-K356 PolarHBondContact OH-NZ 3.02Å; F354-K356 VanDerWaalsContact C-N 3.32Å; F354-K356 PolarHBondContact O-N 3.42Å; K356-P360 WeakPolarHBondContact O-CG 3.27Å; K356-D480 VanDerWaalsContact NZ-CG 3.25Å; K356-D480 IonicContact NZ-OD2 3.58Å; K356-D480 PolarHBondContact NZ-OD2 2.9Å
357	Y	96.8	Very high	95.6	Very high	26 Å²	26	38.1 Å²	38.1	10%	0.102	21%	0.21	C	C	.	.	I	π-helix	trans	-112.1	-30.4	-168	-56	-64.6	0	0	0	114.2	I321 L324 F353 H361	I321-Y357 HydrophobicContact CD1-CD1 4.22Å; I321-Y357 HydrophobicContact CD1-CE1 3.41Å; I321-Y357 VanDerWaalsContact CD1-CE1 3.41Å; L324-Y357 HydrophobicContact CD1-CD2 3.97Å; L324-Y357 HydrophobicContact CD1-CE1 4.26Å; L324-Y357 HydrophobicContact CD1-CE2 3.62Å; L324-Y357 HydrophobicContact CD1-CG 4.44Å; L324-Y357 HydrophobicContact CD2-CD1 3.76Å; L324-Y357 HydrophobicContact CD2-CD2 4.13Å; L324-Y357 HydrophobicContact CD2-CE1 4.07Å; L324-Y357 HydrophobicContact CD2-CE2 4.43Å; L324-Y357 HydrophobicContact CD2-CG 3.79Å; F353-Y357 HydrophobicContact CB-CD2 4.41Å; F353-Y357 HydrophobicContact CD1-CD2 4.5Å; F353-Y357 AromaticContact CD2-CD2 3.63Å; F353-Y357 HydrophobicContact CD2-CD2 3.63Å; F353-Y357 HydrophobicContact CD2-CE2 4.1Å; F353-Y357 AromaticContact CE2-CD2 3.9Å; F353-Y357 HydrophobicContact CE2-CD2 3.9Å; F353-Y357 HydrophobicContact CE2-CE2 4.49Å; F353-Y357 AromaticContact CG-CD2 3.95Å; F353-Y357 HydrophobicContact CG-CD2 3.95Å; F353-Y357 HydrophobicContact CZ-CD2 4.41Å; F353-Y357 WeakPolarHBondContact O-CB 3.38Å; F353-Y357 WeakPolarHBondContact O-CD2 3.44Å; F353-Y357 PolarHBondContact O-N 2.57Å; Y357-H361 PolarHBondContact O-CD2 2.96Å
358	L	97.5	Very high	95.6	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.225	C	C	.	.	I	π-helix	trans	-100.8	-41.5	-177.2	-61.3	-179.3	0	0	0	112.7	L332 I340 L342 F353 F354 P360 H361 F363 A392	L332-L358 HydrophobicContact CD1-CD2 3.92Å; L332-L358 HydrophobicContact CG-CD2 4.3Å; I340-L358 HydrophobicContact CD1-CD1 4.26Å; I340-L358 HydrophobicContact CD1-CD2 3.91Å; I340-L358 HydrophobicContact CG2-CD1 4.32Å; L342-L358 HydrophobicContact CD2-CD1 4.22Å; F353-L358 HydrophobicContact CD1-CD1 4.35Å; F353-L358 HydrophobicContact CD1-CG 4.39Å; F353-L358 HydrophobicContact CE1-CD1 4.13Å; F353-L358 HydrophobicContact CE1-CD2 4.4Å; F353-L358 HydrophobicContact CE1-CG 4.05Å; F354-L358 HydrophobicContact CD2-CB 3.82Å; F354-L358 HydrophobicContact CD2-CD1 4.3Å; F354-L358 HydrophobicContact CE2-CB 4.21Å; F354-L358 PolarHBondContact O-N 3.4Å; L358-P360 VanDerWaalsContact C-CD 3.5Å; L358-H361 PolarHBondContact O-N 2.81Å; L358-F363 HydrophobicContact CB-CB 4.17Å; L358-F363 HydrophobicContact CB-CD2 4.38Å; L358-F363 HydrophobicContact CB-CG 4.2Å; L358-F363 WeakPolarHBondContact O-CD2 3.42Å; L358-A392 HydrophobicContact CD1-CB 3.85Å
359	K	97.2	Very high	95.1	Very high	125 Å²	125	48.3 Å²	48.3	54%	0.543	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-56.5	-41.3	-179.8	-171.7	-178.8	-179.5	-179.9	0	113.3	F354 H361 G362	F354-K359 HydrophobicContact CD1-CB 4.48Å; F354-K359 HydrophobicContact CE1-CB 3.87Å; F354-K359 HydrophobicContact CE1-CD 4.19Å; F354-K359 HydrophobicContact CE1-CG 4.19Å; F354-K359 HydrophobicContact CE2-CB 4.45Å; F354-K359 HydrophobicContact CZ-CB 3.85Å; F354-K359 HydrophobicContact CZ-CG 4.2Å; F354-K359 PolarHBondContact O-N 3.1Å; K359-H361 PolarHBondContact O-N 3.06Å; K359-H361 VanDerWaalsContact O-N 3.15Å; K359-G362 PolarHBondContact O-N 3.16Å
360	P	97.3	Very high	94.8	Very high	93 Å²	93	53 Å²	53	60%	0.604	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-62.2	-20.2	176.9	-24.7	36.9	0	0	0	114.3	K356 L358 G362	K356-P360 WeakPolarHBondContact O-CG 3.27Å; L358-P360 VanDerWaalsContact C-CD 3.5Å; P360-G362 VanDerWaalsContact C-N 3.33Å
361	H	96.9	Very high	94.5	Very high	99 Å²	99	54 Å²	54	46%	0.458	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-93.6	14.8	175.5	-61.2	-64.6	0	0	0	113.3	I333 Y357 L358 K359 F363	I333-H361 HydrophobicContact CG2-CB 3.97Å; Y357-H361 PolarHBondContact O-CD2 2.96Å; L358-H361 PolarHBondContact O-N 2.81Å; K359-H361 PolarHBondContact O-N 3.06Å; K359-H361 VanDerWaalsContact O-N 3.15Å; H361-F363 HydrophobicContact CB-CD2 4.15Å; H361-F363 HydrophobicContact CB-CE2 4.31Å
362	G	96.7	Very high	94.2	Very high	58 Å²	58	55.1 Å²	55.1	60%	0.598	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.5	13.8	173.5	0	0	0	0	0	115.2	K359 P360 V364	K359-G362 PolarHBondContact O-N 3.16Å; P360-G362 VanDerWaalsContact C-N 3.33Å; G362-V364 PolarHBondContact O-N 2.9Å
363	F	97.9	Very high	94	Very high	12 Å²	12	54.5 Å²	54.5	5%	0.053	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-65.8	132.6	175.2	-81.4	-107.7	0	0	0	111.4	I333 E338 I340 F354 L358 H361 S390 A392	I333-F363 HydrophobicContact CG2-CE2 3.8Å; I333-F363 HydrophobicContact CG2-CZ 4.4Å; E338-F363 HydrophobicContact CG-CE1 3.9Å; E338-F363 HydrophobicContact CG-CZ 3.78Å; I340-F363 HydrophobicContact CB-CE1 4.44Å; I340-F363 HydrophobicContact CD1-CD1 4.27Å; I340-F363 HydrophobicContact CD1-CE1 3.4Å; I340-F363 VanDerWaalsContact CD1-CE1 3.4Å; I340-F363 HydrophobicContact CD1-CZ 3.64Å; I340-F363 HydrophobicContact CG1-CE1 3.79Å; I340-F363 HydrophobicContact CG1-CZ 4.38Å; F354-F363 HydrophobicContact CE2-CB 3.99Å; F354-F363 WeakPolarHBondContact CZ-O 3.42Å; L358-F363 HydrophobicContact CB-CB 4.17Å; L358-F363 HydrophobicContact CB-CD2 4.38Å; L358-F363 HydrophobicContact CB-CG 4.2Å; L358-F363 WeakPolarHBondContact O-CD2 3.42Å; H361-F363 HydrophobicContact CB-CD2 4.15Å; H361-F363 HydrophobicContact CB-CE2 4.31Å; F363-S390 CarbonylContact C-O 3.57Å; F363-S390 WeakPolarHBondContact CA-O 3.2Å; F363-A392 HydrophobicContact CB-CB 4.41Å; F363-A392 HydrophobicContact CD1-CB 4.2Å
364	V	97.2	Very high	93.7	Very high	24 Å²	24	58.3 Å²	58.3	15%	0.145	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	132	170.4	173	0	0	0	0	109.6	G362 V366 Y380 S390 I391 A392	G362-V364 PolarHBondContact O-N 2.9Å; V364-V366 HydrophobicContact CG1-CG2 4.48Å; V364-Y380 HydrophobicContact CG1-CD1 4.32Å; V364-Y380 HydrophobicContact CG1-CE1 3.45Å; V364-Y380 VanDerWaalsContact CG1-CE1 3.45Å; V364-S390 PolarHBondContact N-O 3.02Å; V364-I391 HydrophobicContact CB-CG1 4.34Å; V364-A392 PolarHBondContact O-N 2.98Å
365	H	97.1	Very high	93.5	Very high	48 Å²	48	60 Å²	60	22%	0.222	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	120.7	178	-163.5	-166.9	0	0	0	111	F354 I370 D394	F354-H365 HydrophobicContact CD1-CB 4.19Å; F354-H365 AromaticContact CD1-CD2 3.55Å; F354-H365 AromaticContact CD1-CE1 3.87Å; F354-H365 AromaticContact CD1-CG 3.6Å; F354-H365 AromaticContact CD1-ND1 3.8Å; F354-H365 AromaticContact CD1-NE2 3.72Å; F354-H365 HydrophobicContact CE1-CB 3.36Å; F354-H365 AromaticContact CE1-CD2 3.67Å; F354-H365 AromaticContact CE1-CG 3.25Å; F354-H365 AromaticContact CE1-ND1 3.6Å; F354-H365 HydrophobicContact CE2-CB 4.08Å; F354-H365 AromaticContact CG-CD2 3.83Å; F354-H365 HydrophobicContact CZ-CB 3.31Å; F354-H365 AromaticContact CZ-CG 3.67Å; H365-I370 VanDerWaalsContact CE1-CD1 3.49Å; H365-I370 WeakPolarHBondContact CE1-CD1 3.37Å; H365-I370 VanDerWaalsContact ND1-CD1 3.26Å; H365-I370 WeakPolarHBondContact ND1-CD1 3.27Å; H365-D394 IonicContact CE1-OD2 2.88Å; H365-D394 VanDerWaalsContact NE2-CB 3.28Å; H365-D394 WeakPolarHBondContact NE2-CB 3.42Å; H365-D394 IonicContact NE2-OD2 3.4Å; H365-D394 PolarHBondContact NE2-OD2 3.5Å
366	V	96.6	Very high	93.5	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	114.5	171.3	-179.2	0	0	0	0	108.2	V364 L371 C377 Y380 V381 I391 A392 I393 D394	V364-V366 HydrophobicContact CG1-CG2 4.48Å; V366-L371 HydrophobicContact CG1-CD1 4.02Å; V366-C377 HydrophobicContact CG1-CB 3.81Å; V366-Y380 HydrophobicContact CG2-CD1 3.92Å; V366-Y380 HydrophobicContact CG2-CE1 4.4Å; V366-V381 HydrophobicContact CB-CG2 4.32Å; V366-V381 HydrophobicContact CG1-CG2 3.94Å; V366-V381 HydrophobicContact CG2-CG2 3.75Å; V366-I391 HydrophobicContact CB-CG2 4.39Å; V366-I391 HydrophobicContact CG2-CG2 3.42Å; V366-I391 VanDerWaalsContact CG2-CG2 3.42Å; V366-A392 PolarHBondContact N-O 2.71Å; V366-I393 HydrophobicContact CB-CD1 3.72Å; V366-I393 HydrophobicContact CG1-CD1 3.96Å; V366-I393 HydrophobicContact CG2-CD1 3.95Å; V366-I393 CarbonylContact O-C 3.57Å; V366-D394 PolarHBondContact O-N 2.72Å
367	S	93.4	Very high	93.5	Very high	3 Å²	3	59.6 Å²	59.6	2%	0.021	34%	0.34	C	S	.	.			trans	-139.6	139.6	176.2	-175.7	0	0	0	0	110.7	D369 I370 L371 D394	S367-D369 PolarHBondContact O-N 3.47Å; S367-D369 PolarHBondContact OG-N 3.25Å; S367-I370 PolarHBondContact O-N 2.73Å; S367-I370 VanDerWaalsContact O-N 3.13Å; S367-L371 PolarHBondContact O-N 3.29Å; S367-D394 WeakPolarHBondContact CB-O 3.39Å; S367-D394 PolarHBondContact OG-O 2.78Å
368	L	90.3	Very high	93.4	Very high	72 Å²	72	60.1 Å²	60.1	38%	0.377	35%	0.345	S	S	.	.	H	α-helix	trans	-62.2	-31.4	175.1	-174.5	67.5	0	0	0	110.9	I370 A372 N395	L368-I370 PolarHBondContact O-N 2.87Å; L368-A372 WeakPolarHBondContact O-CA 3.37Å; L368-A372 PolarHBondContact O-N 3.07Å; L368-N395 WeakPolarHBondContact CB-OD1 3.33Å; L368-N395 PolarHBondContact N-OD1 2.89Å
369	D	84.6	Confident	93.3	Very high	150 Å²	150	64.4 Å²	64.4	80%	0.802	37%	0.366	S	S	*	.	H	α-helix	trans	-68.4	-26.9	177.5	-64.3	-26.6	0	0	0	111.7	S367	S367-D369 PolarHBondContact O-N 3.47Å; S367-D369 PolarHBondContact OG-N 3.25Å
370	I	86.3	Confident	93.3	Very high	106 Å²	106	63.2 Å²	63.2	54%	0.544	36%	0.358	S	S	.	.	H	α-helix	trans	-89.7	-44.2	178	-62.1	174	0	0	0	111	H365 S367 L368	H365-I370 VanDerWaalsContact CE1-CD1 3.49Å; H365-I370 WeakPolarHBondContact CE1-CD1 3.37Å; H365-I370 VanDerWaalsContact ND1-CD1 3.26Å; H365-I370 WeakPolarHBondContact ND1-CD1 3.27Å; S367-I370 PolarHBondContact O-N 2.73Å; S367-I370 VanDerWaalsContact O-N 3.13Å; L368-I370 PolarHBondContact O-N 2.87Å
371	L	89.1	Confident	93.3	Very high	34 Å²	34	58.8 Å²	58.8	18%	0.178	33%	0.329	C	S	.	.	H	α-helix	trans	-92.9	-5.8	-172.7	-63.6	172.1	0	0	0	113.4	V366 S367 N373 R376 C377 Y380	V366-L371 HydrophobicContact CG1-CD1 4.02Å; S367-L371 PolarHBondContact O-N 3.29Å; L371-N373 PolarHBondContact O-N 3.24Å; L371-R376 HydrophobicContact CB-CB 4.11Å; L371-R376 WeakPolarHBondContact O-CD 3.43Å; L371-C377 HydrophobicContact CD1-CB 4.32Å; L371-Y380 HydrophobicContact CD1-CD1 3.79Å; L371-Y380 HydrophobicContact CD1-CG 4.19Å; L371-Y380 HydrophobicContact CD2-CD1 4.45Å
372	A	86.3	Confident	93.3	Very high	74 Å²	74	57.5 Å²	57.5	61%	0.612	32%	0.324	S	S	*	.	S	Bend	trans	65.4	-24.4	176.2	0	0	0	0	0	117.2	L368	L368-A372 WeakPolarHBondContact O-CA 3.37Å; L368-A372 PolarHBondContact O-N 3.07Å
373	N	90	Very high	93.3	Very high	63 Å²	63	60 Å²	60	34%	0.337	32%	0.318	S	S	.	.	S	Bend	trans	-144.6	154.7	175.9	73.6	72.2	0	0	0	113	L371 G375 R376 C377	L371-N373 PolarHBondContact O-N 3.24Å; N373-G375 VanDerWaalsContact C-N 3.32Å; N373-G375 PolarHBondContact O-N 2.97Å; N373-G375 WeakPolarHBondContact OD1-CA 3.28Å; N373-G375 PolarHBondContact OD1-N 3.49Å; N373-G375 VanDerWaalsContact OD1-N 3.09Å; N373-R376 WeakPolarHBondContact ND2-CD 3.24Å; N373-R376 WeakPolarHBondContact ND2-CG 3.37Å; N373-R376 PolarHBondContact ND2-NE 2.99Å; N373-R376 PolarHBondContact O-N 2.81Å; N373-R376 PolarHBondContact OD1-N 2.97Å; N373-C377 PolarHBondContact O-N 2.92Å; N373-C377 PolarHBondContact O-SG 2.82Å
374	S	89.4	Confident	93.3	Very high	84 Å²	84	59.6 Å²	59.6	59%	0.587	32%	0.316	S	S	*	.	H	α-helix	trans	-63.7	-34.2	-176.4	54	0	0	0	0	113.4	C377 V378	S374-C377 WeakPolarHBondContact O-CB 3.19Å; S374-C377 PolarHBondContact O-N 2.99Å; S374-V378 WeakPolarHBondContact O-CG2 3.46Å; S374-V378 PolarHBondContact O-N 3.25Å
375	G	93	Very high	93.3	Very high	41 Å²	41	59 Å²	59	42%	0.423	31%	0.312	S	S	.	.	H	α-helix	trans	-61.3	-44.4	177	0	0	0	0	0	112.3	N373 C377 V378 E379	N373-G375 VanDerWaalsContact C-N 3.32Å; N373-G375 PolarHBondContact O-N 2.97Å; N373-G375 WeakPolarHBondContact OD1-CA 3.28Å; N373-G375 PolarHBondContact OD1-N 3.49Å; N373-G375 VanDerWaalsContact OD1-N 3.09Å; G375-C377 VanDerWaalsContact C-N 3.34Å; G375-C377 PolarHBondContact O-N 2.97Å; G375-V378 WeakPolarHBondContact O-CB 3.26Å; G375-V378 PolarHBondContact O-N 3.39Å; G375-E379 PolarHBondContact O-N 2.81Å
376	R	94.3	Very high	93.2	Very high	140 Å²	140	63 Å²	63	53%	0.528	34%	0.34	S	S	.	.	H	α-helix	trans	-65.3	-35.6	174.1	-74.6	179.5	-177.1	166.9	-1.5	112.4	L371 N373 V378 Y380	L371-R376 HydrophobicContact CB-CB 4.11Å; L371-R376 WeakPolarHBondContact O-CD 3.43Å; N373-R376 WeakPolarHBondContact ND2-CD 3.24Å; N373-R376 WeakPolarHBondContact ND2-CG 3.37Å; N373-R376 PolarHBondContact ND2-NE 2.99Å; N373-R376 PolarHBondContact O-N 2.81Å; N373-R376 PolarHBondContact OD1-N 2.97Å; R376-V378 VanDerWaalsContact C-N 3.35Å; R376-Y380 WeakPolarHBondContact O-CB 3.49Å; R376-Y380 PolarHBondContact O-N 2.96Å
377	C	95	Very high	93.2	Very high	0 Å²	0	69.9 Å²	69.9	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-59.8	-46.6	171.6	-62.9	0	0	0	0	111.2	V366 L371 N373 S374 G375 Y380 V381	V366-C377 HydrophobicContact CG1-CB 3.81Å; L371-C377 HydrophobicContact CD1-CB 4.32Å; N373-C377 PolarHBondContact O-N 2.92Å; N373-C377 PolarHBondContact O-SG 2.82Å; S374-C377 WeakPolarHBondContact O-CB 3.19Å; S374-C377 PolarHBondContact O-N 2.99Å; G375-C377 VanDerWaalsContact C-N 3.34Å; G375-C377 PolarHBondContact O-N 2.97Å; C377-Y380 PolarHBondContact O-N 3.47Å; C377-V381 WeakPolarHBondContact O-CG2 3.25Å; C377-V381 PolarHBondContact O-N 2.89Å
378	V	95.7	Very high	93.3	Very high	36 Å²	36	72 Å²	72	22%	0.218	40%	0.395	C	S	.	.	H	α-helix	trans	-61.8	-50.2	178.8	170.4	0	0	0	0	111.1	S374 G375 R376 Y380 V381 E382 T405 L409	S374-V378 WeakPolarHBondContact O-CG2 3.46Å; S374-V378 PolarHBondContact O-N 3.25Å; G375-V378 WeakPolarHBondContact O-CB 3.26Å; G375-V378 PolarHBondContact O-N 3.39Å; R376-V378 VanDerWaalsContact C-N 3.35Å; V378-Y380 VanDerWaalsContact C-N 3.31Å; V378-Y380 PolarHBondContact O-N 3.15Å; V378-V381 PolarHBondContact O-N 3.21Å; V378-E382 WeakPolarHBondContact O-CG 3.47Å; V378-E382 PolarHBondContact O-N 3.12Å; V378-T405 HydrophobicContact CG2-CG2 3.62Å; V378-L409 HydrophobicContact CB-CD1 4.47Å; V378-L409 HydrophobicContact CG1-CD1 4.04Å; V378-L409 HydrophobicContact CG1-CD2 4.21Å
379	E	95.6	Very high	93.6	Very high	91 Å²	91	70.2 Å²	70.2	43%	0.425	39%	0.388	S	S	.	.	H	α-helix	trans	-60	-41.6	179.5	-172.9	-170.3	163.5	0	0	112	G375 E382 K383	G375-E379 PolarHBondContact O-N 2.81Å; E379-E382 PolarHBondContact O-N 2.99Å; E379-K383 HydrophobicContact CG-CD 4.31Å; E379-K383 WeakPolarHBondContact O-CG 3.49Å; E379-K383 PolarHBondContact O-N 2.93Å; E379-K383 WeakPolarHBondContact OE1-CE 3.29Å; E379-K383 IonicContact OE1-NZ 2.88Å; E379-K383 PolarHBondContact OE1-NZ 2.91Å
380	Y	96.7	Very high	94.3	Very high	99 Å²	99	64.1 Å²	64.1	39%	0.388	36%	0.357	S	S	.	.	H	α-helix	trans	-67.9	-39.8	179.4	-168.5	-127.9	0	0	0	111.6	V364 V366 L371 R376 C377 V378 K383 S384	V364-Y380 HydrophobicContact CG1-CD1 4.32Å; V364-Y380 HydrophobicContact CG1-CE1 3.45Å; V364-Y380 VanDerWaalsContact CG1-CE1 3.45Å; V366-Y380 HydrophobicContact CG2-CD1 3.92Å; V366-Y380 HydrophobicContact CG2-CE1 4.4Å; L371-Y380 HydrophobicContact CD1-CD1 3.79Å; L371-Y380 HydrophobicContact CD1-CG 4.19Å; L371-Y380 HydrophobicContact CD2-CD1 4.45Å; R376-Y380 WeakPolarHBondContact O-CB 3.49Å; R376-Y380 PolarHBondContact O-N 2.96Å; C377-Y380 PolarHBondContact O-N 3.47Å; V378-Y380 VanDerWaalsContact C-N 3.31Å; V378-Y380 PolarHBondContact O-N 3.15Å; Y380-K383 PolarHBondContact O-N 3.26Å; Y380-S384 WeakPolarHBondContact O-CB 3.43Å; Y380-S384 PolarHBondContact O-N 3.23Å; Y380-S384 PolarHBondContact O-OG 2.88Å
381	V	97.3	Very high	94.9	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-59.4	-49.5	172.9	172.2	0	0	0	0	110.8	V366 C377 V378 K383 S384 L385 I391 I393 Y406 L409	V366-V381 HydrophobicContact CB-CG2 4.32Å; V366-V381 HydrophobicContact CG1-CG2 3.94Å; V366-V381 HydrophobicContact CG2-CG2 3.75Å; C377-V381 WeakPolarHBondContact O-CG2 3.25Å; C377-V381 PolarHBondContact O-N 2.89Å; V378-V381 PolarHBondContact O-N 3.21Å; V381-K383 PolarHBondContact O-N 2.81Å; V381-S384 PolarHBondContact O-N 3.39Å; V381-L385 HydrophobicContact CG1-CD1 3.88Å; V381-L385 HydrophobicContact CG1-CG 4.27Å; V381-L385 WeakPolarHBondContact O-CB 3.49Å; V381-L385 VanDerWaalsContact O-CG 3.31Å; V381-L385 WeakPolarHBondContact O-CG 3.31Å; V381-L385 PolarHBondContact O-N 3.4Å; V381-I391 HydrophobicContact CB-CD1 4.42Å; V381-I391 HydrophobicContact CG1-CD1 3.95Å; V381-I391 HydrophobicContact CG2-CG2 4.27Å; V381-I391 WeakPolarHBondContact O-CD1 3.4Å; V381-I393 HydrophobicContact CG2-CD1 3.41Å; V381-I393 VanDerWaalsContact CG2-CD1 3.41Å; V381-Y406 HydrophobicContact CG2-CD1 4.2Å; V381-Y406 HydrophobicContact CG2-CE1 4.18Å; V381-L409 HydrophobicContact CB-CD1 3.82Å; V381-L409 HydrophobicContact CG1-CB 4.17Å; V381-L409 HydrophobicContact CG1-CD1 3.56Å; V381-L409 HydrophobicContact CG1-CG 4.49Å
382	E	96.6	Very high	95.3	Very high	73 Å²	73	57.5 Å²	57.5	34%	0.341	32%	0.323	S	S	.	.	H	α-helix	trans	-57.3	-47.6	179.3	-73.2	176.4	166.8	0	0	112	V378 E379 L385 V386 L409 R412	V378-E382 WeakPolarHBondContact O-CG 3.47Å; V378-E382 PolarHBondContact O-N 3.12Å; E379-E382 PolarHBondContact O-N 2.99Å; E382-L385 PolarHBondContact O-N 3.47Å; E382-V386 WeakPolarHBondContact O-CG2 3.46Å; E382-V386 PolarHBondContact O-N 2.92Å; E382-V386 VanDerWaalsContact O-N 3.17Å; E382-L409 HydrophobicContact CG-CD1 4.47Å; E382-L409 HydrophobicContact CG-CD2 3.64Å; E382-L409 VanDerWaalsContact OE1-CD2 3.25Å; E382-L409 WeakPolarHBondContact OE1-CD2 3.45Å; E382-R412 IonicContact OE1-CZ 3.75Å; E382-R412 IonicContact OE1-NH1 3.33Å; E382-R412 IonicContact OE1-NH2 3.22Å; E382-R412 PolarHBondContact OE1-NH2 3.04Å
383	K	96.8	Very high	95.9	Very high	111 Å²	111	54 Å²	54	48%	0.483	29%	0.294	S	S	.	.	H	α-helix	trans	-61.5	-45.7	178.1	-75.3	174.6	172.8	173.4	0	112.3	E379 Y380 V381 L385 V386 Q387	E379-K383 HydrophobicContact CG-CD 4.31Å; E379-K383 WeakPolarHBondContact O-CG 3.49Å; E379-K383 PolarHBondContact O-N 2.93Å; E379-K383 WeakPolarHBondContact OE1-CE 3.29Å; E379-K383 IonicContact OE1-NZ 2.88Å; E379-K383 PolarHBondContact OE1-NZ 2.91Å; Y380-K383 PolarHBondContact O-N 3.26Å; V381-K383 PolarHBondContact O-N 2.81Å; K383-L385 VanDerWaalsContact C-N 3.34Å; K383-L385 PolarHBondContact O-N 3.21Å; K383-V386 PolarHBondContact O-N 2.72Å; K383-Q387 WeakPolarHBondContact O-CG 3.33Å; K383-Q387 PolarHBondContact O-N 3.24Å
384	S	96.9	Very high	96.2	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.014	28%	0.279	C	S	.	.	H	α-helix	trans	-67.8	-33.5	180	-67.6	0	0	0	0	112.8	Y380 V381 Q387 G388 S389	Y380-S384 WeakPolarHBondContact O-CB 3.43Å; Y380-S384 PolarHBondContact O-N 3.23Å; Y380-S384 PolarHBondContact O-OG 2.88Å; V381-S384 PolarHBondContact O-N 3.39Å; S384-Q387 PolarHBondContact O-N 2.82Å; S384-G388 PolarHBondContact O-N 3.16Å; S384-S389 WeakPolarHBondContact O-CB 3.33Å; S384-S389 PolarHBondContact O-N 3.46Å
385	L	97.4	Very high	96.4	Very high	11 Å²	11	48.1 Å²	48.1	6%	0.058	26%	0.256	C	S	.	.	H	α-helix	trans	-64.5	-44.2	174.4	-74.2	177.1	0	0	0	111.6	Q337 V339 V381 E382 K383 Q387 G388 I391 L409 A413 V415	Q337-L385 PolarHBondContact NE2-O 2.7Å; V339-L385 HydrophobicContact CG2-CD1 4.31Å; V339-L385 HydrophobicContact CG2-CD2 3.78Å; V381-L385 HydrophobicContact CG1-CD1 3.88Å; V381-L385 HydrophobicContact CG1-CG 4.27Å; V381-L385 WeakPolarHBondContact O-CB 3.49Å; V381-L385 VanDerWaalsContact O-CG 3.31Å; V381-L385 WeakPolarHBondContact O-CG 3.31Å; V381-L385 PolarHBondContact O-N 3.4Å; E382-L385 PolarHBondContact O-N 3.47Å; K383-L385 VanDerWaalsContact C-N 3.34Å; K383-L385 PolarHBondContact O-N 3.21Å; L385-Q387 PolarHBondContact O-N 3.1Å; L385-G388 PolarHBondContact O-N 3.45Å; L385-I391 HydrophobicContact CB-CD1 4.5Å; L385-I391 HydrophobicContact CD2-CD1 3.64Å; L385-I391 HydrophobicContact CD2-CG1 4.4Å; L385-I391 HydrophobicContact CG-CD1 3.56Å; L385-L409 HydrophobicContact CD1-CB 4.38Å; L385-A413 HydrophobicContact CB-CB 4.09Å; L385-A413 HydrophobicContact CD1-CB 3.8Å; L385-A413 HydrophobicContact CG-CB 4.37Å; L385-V415 HydrophobicContact CD1-CG2 4.49Å; L385-V415 HydrophobicContact CD2-CG1 4.5Å; L385-V415 HydrophobicContact CD2-CG2 3.77Å
386	V	96.1	Very high	96.4	Very high	132 Å²	132	49 Å²	49	80%	0.8	25%	0.254	S	S	*	.	H	α-helix	trans	-61.3	-32.6	175.9	173.1	0	0	0	0	111.8	E382 K383 G388	E382-V386 WeakPolarHBondContact O-CG2 3.46Å; E382-V386 PolarHBondContact O-N 2.92Å; E382-V386 VanDerWaalsContact O-N 3.17Å; K383-V386 PolarHBondContact O-N 2.72Å; V386-G388 PolarHBondContact O-N 3.15Å
387	Q	95.8	Very high	96.5	Very high	145 Å²	145	42.6 Å²	42.6	68%	0.678	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.4	3.4	177.1	-69	172.4	-8.1	0	0	114.1	K383 S384 L385 S389	K383-Q387 WeakPolarHBondContact O-CG 3.33Å; K383-Q387 PolarHBondContact O-N 3.24Å; S384-Q387 PolarHBondContact O-N 2.82Å; L385-Q387 PolarHBondContact O-N 3.1Å; Q387-S389 VanDerWaalsContact C-N 3.28Å; Q387-S389 PolarHBondContact O-N 3.05Å
388	G	96.4	Very high	96.6	Very high	48 Å²	48	42.8 Å²	42.8	50%	0.495	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.1	11.1	-179.7	0	0	0	0	0	114.4	Q337 S384 L385 V386	Q337-G388 VanDerWaalsContact NE2-CA 3.25Å; S384-G388 PolarHBondContact O-N 3.16Å; L385-G388 PolarHBondContact O-N 3.45Å; V386-G388 PolarHBondContact O-N 3.15Å
389	S	97.3	Very high	96.6	Very high	34 Å²	34	42.5 Å²	42.5	24%	0.238	23%	0.228	C	C	.	.			trans	-81.2	142.3	-179.2	-60.8	0	0	0	0	112	Q337 S384 Q387	Q337-S389 WeakPolarHBondContact CG-O 3.46Å; Q337-S389 PolarHBondContact NE2-O 3.36Å; S384-S389 WeakPolarHBondContact O-CB 3.33Å; S384-S389 PolarHBondContact O-N 3.46Å; Q387-S389 VanDerWaalsContact C-N 3.28Å; Q387-S389 PolarHBondContact O-N 3.05Å
390	S	98.2	Very high	96.8	Very high	23 Å²	23	42.5 Å²	42.5	16%	0.161	23%	0.227	C	C	.	.			trans	-78.9	146.6	163.7	-64.2	0	0	0	0	110.3	K336 Q337 E338 F363 V364	K336-S390 PolarHBondContact O-OG 3.35Å; Q337-S390 WeakPolarHBondContact CA-OG 3.4Å; E338-S390 PolarHBondContact N-OG 2.82Å; E338-S390 CarbonylContact O-C 3.48Å; E338-S390 VanDerWaalsContact O-CA 3.29Å; E338-S390 WeakPolarHBondContact O-CA 3.4Å; F363-S390 CarbonylContact C-O 3.57Å; F363-S390 WeakPolarHBondContact CA-O 3.2Å; V364-S390 PolarHBondContact N-O 3.02Å
391	I	98.4	Very high	96.7	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	136.9	-165.8	-56.1	175	0	0	0	110.5	E338 V339 I340 V364 V366 V381 L385 I393	E338-I391 PolarHBondContact O-N 2.88Å; V339-I391 CarbonylContact C-O 3.46Å; V339-I391 WeakPolarHBondContact CA-O 3.47Å; I340-I391 PolarHBondContact N-O 2.86Å; V364-I391 HydrophobicContact CB-CG1 4.34Å; V366-I391 HydrophobicContact CB-CG2 4.39Å; V366-I391 HydrophobicContact CG2-CG2 3.42Å; V366-I391 VanDerWaalsContact CG2-CG2 3.42Å; V381-I391 HydrophobicContact CB-CD1 4.42Å; V381-I391 HydrophobicContact CG1-CD1 3.95Å; V381-I391 HydrophobicContact CG2-CG2 4.27Å; V381-I391 WeakPolarHBondContact O-CD1 3.4Å; L385-I391 HydrophobicContact CB-CD1 4.5Å; L385-I391 HydrophobicContact CD2-CD1 3.64Å; L385-I391 HydrophobicContact CD2-CG1 4.4Å; L385-I391 HydrophobicContact CG-CD1 3.56Å; I391-I393 HydrophobicContact CG2-CD1 3.7Å
392	A	98.3	Very high	96.6	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	121.2	170.8	0	0	0	0	0	110.6	I340 F354 L358 F363 V364 V366 D394	I340-A392 CarbonylContact O-C 3.58Å; I340-A392 WeakPolarHBondContact O-CA 3.26Å; F354-A392 HydrophobicContact CD2-CB 3.44Å; F354-A392 VanDerWaalsContact CD2-CB 3.44Å; F354-A392 HydrophobicContact CE2-CB 3.66Å; L358-A392 HydrophobicContact CD1-CB 3.85Å; F363-A392 HydrophobicContact CB-CB 4.41Å; F363-A392 HydrophobicContact CD1-CB 4.2Å; V364-A392 PolarHBondContact O-N 2.98Å; V366-A392 PolarHBondContact N-O 2.71Å; A392-D394 PolarHBondContact O-N 2.77Å
393	I	98.1	Very high	96.7	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	95.4	177.2	-45.1	-58.3	0	0	0	109.4	V339 I340 V341 L342 V366 V381 I391 N395 N397 Y406	V339-I393 HydrophobicContact CG1-CD1 4.5Å; V339-I393 HydrophobicContact CG1-CG1 4.09Å; I340-I393 PolarHBondContact O-N 2.76Å; V341-I393 HydrophobicContact CG2-CG1 4.28Å; L342-I393 WeakPolarHBondContact CB-O 3.42Å; L342-I393 PolarHBondContact N-O 3.42Å; V366-I393 HydrophobicContact CB-CD1 3.72Å; V366-I393 HydrophobicContact CG1-CD1 3.96Å; V366-I393 HydrophobicContact CG2-CD1 3.95Å; V366-I393 CarbonylContact O-C 3.57Å; V381-I393 HydrophobicContact CG2-CD1 3.41Å; V381-I393 VanDerWaalsContact CG2-CD1 3.41Å; I391-I393 HydrophobicContact CG2-CD1 3.7Å; I393-N395 VanDerWaalsContact C-N 3.33Å; I393-N395 HydrophobicContact CG2-CB 4.34Å; I393-N395 PolarHBondContact O-N 3.17Å; I393-N397 PolarHBondContact O-ND2 2.81Å; I393-Y406 HydrophobicContact CD1-CD1 3.78Å; I393-Y406 HydrophobicContact CD1-CE1 3.95Å; I393-Y406 HydrophobicContact CD1-CG 4.39Å; I393-Y406 HydrophobicContact CG1-CD1 3.89Å; I393-Y406 HydrophobicContact CG1-CD2 4.46Å; I393-Y406 HydrophobicContact CG1-CE1 4.27Å; I393-Y406 HydrophobicContact CG1-CG 3.99Å; I393-Y406 HydrophobicContact CG2-CD1 4.22Å; I393-Y406 HydrophobicContact CG2-CD2 3.96Å; I393-Y406 HydrophobicContact CG2-CE1 3.88Å; I393-Y406 HydrophobicContact CG2-CE2 3.59Å; I393-Y406 HydrophobicContact CG2-CG 4.25Å
394	D	96.2	Very high	96.7	Very high	4 Å²	4	41.8 Å²	41.8	2%	0.021	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	66.4	177.7	-178.1	27.4	0	0	0	111.1	L342 K350 S351 H365 V366 S367 A392	L342-D394 HydrophobicContact CD1-CB 4.06Å; K350-D394 WeakPolarHBondContact CB-OD1 3.3Å; S351-D394 WeakPolarHBondContact CA-OD2 3.47Å; S351-D394 WeakPolarHBondContact CB-OD2 3.28Å; S351-D394 PolarHBondContact N-OD1 2.82Å; S351-D394 PolarHBondContact OG-OD1 3.01Å; S351-D394 PolarHBondContact OG-OD2 3Å; H365-D394 IonicContact CE1-OD2 2.88Å; H365-D394 VanDerWaalsContact NE2-CB 3.28Å; H365-D394 WeakPolarHBondContact NE2-CB 3.42Å; H365-D394 IonicContact NE2-OD2 3.4Å; H365-D394 PolarHBondContact NE2-OD2 3.5Å; V366-D394 PolarHBondContact O-N 2.72Å; S367-D394 WeakPolarHBondContact CB-O 3.39Å; S367-D394 PolarHBondContact OG-O 2.78Å; A392-D394 PolarHBondContact O-N 2.77Å
395	N	94.1	Very high	96.7	Very high	20 Å²	20	44.6 Å²	44.6	11%	0.107	26%	0.257	C	S	.	.	S	Bend	trans	-114.5	179.1	168.1	-74.1	-29.2	0	0	0	109.3	K350 L368 I393 Y406	K350-N395 WeakPolarHBondContact CE-O 3.43Å; L368-N395 WeakPolarHBondContact CB-OD1 3.33Å; L368-N395 PolarHBondContact N-OD1 2.89Å; I393-N395 VanDerWaalsContact C-N 3.33Å; I393-N395 HydrophobicContact CG2-CB 4.34Å; I393-N395 PolarHBondContact O-N 3.17Å; N395-Y406 PolarHBondContact ND2-OH 3.07Å
396	T	93.9	Very high	96.7	Very high	61 Å²	61	44.7 Å²	44.7	37%	0.374	26%	0.256	S	S	.	.			trans	-70.1	-40.7	175.1	54.8	0	0	0	0	112.5	G344 P346 A398 F456	G344-T396 PolarHBondContact N-O 2.79Å; G344-T396 VanDerWaalsContact N-O 3.14Å; P346-T396 HydrophobicContact CG-CG2 3.69Å; T396-A398 VanDerWaalsContact C-N 3.26Å; T396-A398 PolarHBondContact O-N 3.23Å; T396-F456 HydrophobicContact CG2-CD2 4.23Å; T396-F456 WeakPolarHBondContact O-CE2 3.44Å
397	N	96.3	Very high	96.9	Very high	4 Å²	4	39 Å²	39	2%	0.021	22%	0.222	C	C	.	.			trans	52.3	40.8	175.6	-62.4	-39.8	0	0	0	113.7	V341 L342 V343 I393 R403	V341-N397 HydrophobicContact CG1-CB 4.03Å; V341-N397 WeakPolarHBondContact CG1-ND2 3.36Å; L342-N397 PolarHBondContact O-ND2 2.88Å; V343-N397 HydrophobicContact CG2-CB 3.95Å; I393-N397 PolarHBondContact O-ND2 2.81Å; N397-R403 HydrophobicContact CB-CG 4.02Å; N397-R403 PolarHBondContact O-NH1 3.24Å; N397-R403 VanDerWaalsContact O-NH1 3.11Å
398	A	96.2	Very high	97	Very high	4 Å²	4	34.4 Å²	34.4	3%	0.033	21%	0.208	C	C	.	.			trans	-64.1	-44.5	-169	0	0	0	0	0	114	T396 R403 F456 R459 Y460 E461	T396-A398 VanDerWaalsContact C-N 3.26Å; T396-A398 PolarHBondContact O-N 3.23Å; A398-R403 PolarHBondContact O-NH1 2.79Å; A398-F456 HydrophobicContact CB-CD2 3.53Å; A398-F456 HydrophobicContact CB-CE2 3.48Å; A398-F456 VanDerWaalsContact CB-CE2 3.48Å; A398-F456 HydrophobicContact CB-CG 4.33Å; A398-F456 HydrophobicContact CB-CZ 4.23Å; A398-R459 HydrophobicContact CB-CB 4.14Å; A398-Y460 WeakPolarHBondContact O-CA 3.42Å; A398-E461 PolarHBondContact O-N 2.87Å
399	D	97	Very high	97	Very high	30 Å²	30	32.3 Å²	32.3	16%	0.16	19%	0.186	C	C	.	.	S	Bend	trans	-106.1	161.1	-174	55.4	56.1	0	0	0	112.5	K401 S402 R403 E461	D399-K401 VanDerWaalsContact C-N 3.26Å; D399-K401 PolarHBondContact O-N 3.35Å; D399-K401 PolarHBondContact OD1-N 3.02Å; D399-S402 PolarHBondContact O-N 2.82Å; D399-S402 VanDerWaalsContact OD1-CB 3.23Å; D399-S402 WeakPolarHBondContact OD1-CB 3.49Å; D399-S402 PolarHBondContact OD1-N 3.16Å; D399-S402 PolarHBondContact OD1-OG 2.82Å; D399-R403 PolarHBondContact O-N 3.07Å; D399-R403 PolarHBondContact O-NH1 2.75Å; D399-E461 WeakPolarHBondContact CB-OE1 3.37Å
400	K	97.9	Very high	97	Very high	91 Å²	91	30.8 Å²	30.8	40%	0.396	18%	0.175	S	C	.	.	H	α-helix	trans	-60.3	-37.3	179.9	-70.2	178.8	-174.7	171	0	112.1	S402 R403 A404 E461 E467	K400-S402 VanDerWaalsContact C-N 3.34Å; K400-S402 PolarHBondContact O-N 2.82Å; K400-R403 PolarHBondContact O-N 3.18Å; K400-A404 WeakPolarHBondContact O-CB 3.34Å; K400-A404 PolarHBondContact O-N 2.98Å; K400-E461 VanDerWaalsContact CD-OE2 3.27Å; K400-E461 WeakPolarHBondContact CD-OE2 3.27Å; K400-E461 WeakPolarHBondContact CE-OE2 3.35Å; K400-E461 HydrophobicContact CG-CB 4.18Å; K400-E461 WeakPolarHBondContact CG-OE2 3.02Å; K400-E461 PolarHBondContact N-OE1 3.27Å; K400-E461 IonicContact NZ-OE2 3Å; K400-E467 HydrophobicContact CG-CG 4.43Å
401	K	96.2	Very high	97	Very high	175 Å²	175	37.9 Å²	37.9	76%	0.761	20%	0.203	S	C	*	.	H	α-helix	trans	-60.9	-43.5	-178.7	-177.5	179.1	178.1	178.9	0	111.7	D399	D399-K401 VanDerWaalsContact C-N 3.26Å; D399-K401 PolarHBondContact O-N 3.35Å; D399-K401 PolarHBondContact OD1-N 3.02Å
402	S	94.9	Very high	97	Very high	44 Å²	44	45.8 Å²	45.8	31%	0.308	23%	0.233	S	C	.	.	H	α-helix	trans	-64.4	-44.3	178.5	-59.6	0	0	0	0	111	D399 K400 T405	D399-S402 PolarHBondContact O-N 2.82Å; D399-S402 VanDerWaalsContact OD1-CB 3.23Å; D399-S402 WeakPolarHBondContact OD1-CB 3.49Å; D399-S402 PolarHBondContact OD1-N 3.16Å; D399-S402 PolarHBondContact OD1-OG 2.82Å; K400-S402 VanDerWaalsContact C-N 3.34Å; K400-S402 PolarHBondContact O-N 2.82Å; S402-T405 WeakPolarHBondContact O-CB 3.41Å
403	R	97.9	Very high	96.9	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-66.9	-40.8	178.9	-65.4	-173	-58.5	-103.9	13.6	112.9	V341 N397 A398 D399 K400 T405 Y406 I407 E461 E467 F469	V341-R403 HydrophobicContact CG1-CG 4.34Å; N397-R403 HydrophobicContact CB-CG 4.02Å; N397-R403 PolarHBondContact O-NH1 3.24Å; N397-R403 VanDerWaalsContact O-NH1 3.11Å; A398-R403 PolarHBondContact O-NH1 2.79Å; D399-R403 PolarHBondContact O-N 3.07Å; D399-R403 PolarHBondContact O-NH1 2.75Å; K400-R403 PolarHBondContact O-N 3.18Å; R403-T405 PolarHBondContact O-N 3.21Å; R403-T405 VanDerWaalsContact O-N 3.13Å; R403-Y406 PolarHBondContact O-N 2.84Å; R403-I407 HydrophobicContact CB-CD1 4.39Å; R403-I407 WeakPolarHBondContact O-CG1 3.46Å; R403-I407 PolarHBondContact O-N 2.97Å; R403-I407 VanDerWaalsContact O-N 3.1Å; R403-E461 PolarHBondContact NH1-O 3.4Å; R403-E461 PolarHBondContact NH2-O 2.92Å; R403-E467 IonicContact CZ-OE1 2.89Å; R403-E467 IonicContact CZ-OE2 2.95Å; R403-E467 IonicContact NE-OE1 3.53Å; R403-E467 IonicContact NE-OE2 2.83Å; R403-E467 PolarHBondContact NE-OE2 3.21Å; R403-E467 IonicContact NH2-OE1 3.83Å; R403-E467 PolarHBondContact NH2-OE1 3.37Å; R403-E467 IonicContact NH2-OE2 3.94Å; R403-E467 PolarHBondContact NH2-OE2 2.89Å; R403-E467 VanDerWaalsContact NH2-OE2 3.12Å; R403-F469 HydrophobicContact CB-CZ 4.06Å; R403-F469 HydrophobicContact CG-CZ 4.35Å
404	A	98	Very high	96.8	Very high	50 Å²	50	55.2 Å²	55.2	41%	0.413	29%	0.289	S	S	.	.	H	α-helix	trans	-54.2	-34.4	180	0	0	0	0	0	113	K400 Y406 I407 A408	K400-A404 WeakPolarHBondContact O-CB 3.34Å; K400-A404 PolarHBondContact O-N 2.98Å; A404-Y406 PolarHBondContact O-N 3.44Å; A404-I407 PolarHBondContact O-N 2.77Å; A404-A408 WeakPolarHBondContact O-CB 3.43Å; A404-A408 PolarHBondContact O-N 2.92Å
405	T	96.7	Very high	96.9	Very high	60 Å²	60	55.9 Å²	55.9	37%	0.368	29%	0.293	S	S	.	.	H	α-helix	trans	-54.4	-53.6	174.5	-54.3	0	0	0	0	111.2	V378 S402 R403 A408 L409	V378-T405 HydrophobicContact CG2-CG2 3.62Å; S402-T405 WeakPolarHBondContact O-CB 3.41Å; R403-T405 PolarHBondContact O-N 3.21Å; R403-T405 VanDerWaalsContact O-N 3.13Å; T405-A408 PolarHBondContact O-N 3.06Å; T405-L409 WeakPolarHBondContact O-CG 3.41Å; T405-L409 PolarHBondContact O-N 3.04Å
406	Y	97.7	Very high	97	Very high	13 Å²	13	58.5 Å²	58.5	5%	0.051	31%	0.307	C	S	.	.	H	α-helix	trans	-74.7	-34.2	-176	-58.3	-68.7	0	0	0	112.7	V381 I393 N395 R403 A404 A408 L409 A410	V381-Y406 HydrophobicContact CG2-CD1 4.2Å; V381-Y406 HydrophobicContact CG2-CE1 4.18Å; I393-Y406 HydrophobicContact CD1-CD1 3.78Å; I393-Y406 HydrophobicContact CD1-CE1 3.95Å; I393-Y406 HydrophobicContact CD1-CG 4.39Å; I393-Y406 HydrophobicContact CG1-CD1 3.89Å; I393-Y406 HydrophobicContact CG1-CD2 4.46Å; I393-Y406 HydrophobicContact CG1-CE1 4.27Å; I393-Y406 HydrophobicContact CG1-CG 3.99Å; I393-Y406 HydrophobicContact CG2-CD1 4.22Å; I393-Y406 HydrophobicContact CG2-CD2 3.96Å; I393-Y406 HydrophobicContact CG2-CE1 3.88Å; I393-Y406 HydrophobicContact CG2-CE2 3.59Å; I393-Y406 HydrophobicContact CG2-CG 4.25Å; N395-Y406 PolarHBondContact ND2-OH 3.07Å; R403-Y406 PolarHBondContact O-N 2.84Å; A404-Y406 PolarHBondContact O-N 3.44Å; Y406-A408 VanDerWaalsContact C-N 3.3Å; Y406-A408 PolarHBondContact O-N 3.47Å; Y406-L409 HydrophobicContact CD1-CD1 4.24Å; Y406-L409 PolarHBondContact O-N 3.06Å; Y406-A410 PolarHBondContact O-N 2.74Å
407	I	98.4	Very high	97.2	Very high	13 Å²	13	55.9 Å²	55.9	7%	0.067	29%	0.292	C	S	.	.	H	α-helix	trans	-60.9	-43.1	173.9	-61.9	168.6	0	0	0	110.3	R403 A404 L409 A410 K411 E467 F469	R403-I407 HydrophobicContact CB-CD1 4.39Å; R403-I407 WeakPolarHBondContact O-CG1 3.46Å; R403-I407 PolarHBondContact O-N 2.97Å; R403-I407 VanDerWaalsContact O-N 3.1Å; A404-I407 PolarHBondContact O-N 2.77Å; I407-L409 PolarHBondContact O-N 2.82Å; I407-A410 PolarHBondContact O-N 2.87Å; I407-K411 WeakPolarHBondContact O-CB 3.24Å; I407-K411 PolarHBondContact O-N 3.11Å; I407-E467 HydrophobicContact CD1-CB 3.73Å; I407-E467 WeakPolarHBondContact CD1-O 3.42Å; I407-F469 HydrophobicContact CD1-CD1 4.19Å; I407-F469 HydrophobicContact CD1-CD2 4.15Å; I407-F469 HydrophobicContact CD1-CE1 3.8Å; I407-F469 HydrophobicContact CD1-CE2 3.75Å; I407-F469 HydrophobicContact CD1-CG 4.36Å; I407-F469 HydrophobicContact CD1-CZ 3.57Å; I407-F469 HydrophobicContact CG1-CD1 4.13Å; I407-F469 HydrophobicContact CG1-CE1 3.69Å; I407-F469 HydrophobicContact CG1-CZ 3.94Å
408	A	97.9	Very high	97.4	Very high	48 Å²	48	55.9 Å²	55.9	40%	0.397	29%	0.291	S	S	.	.	H	α-helix	trans	-63.2	-40.2	177	0	0	0	0	0	112.3	A404 T405 Y406 K411 R412	A404-A408 WeakPolarHBondContact O-CB 3.43Å; A404-A408 PolarHBondContact O-N 2.92Å; T405-A408 PolarHBondContact O-N 3.06Å; Y406-A408 VanDerWaalsContact C-N 3.3Å; Y406-A408 PolarHBondContact O-N 3.47Å; A408-K411 PolarHBondContact O-N 2.78Å; A408-R412 WeakPolarHBondContact O-CG 3.44Å; A408-R412 PolarHBondContact O-N 2.99Å
409	L	97.6	Very high	97.5	Very high	5 Å²	5	55.7 Å²	55.7	3%	0.026	29%	0.29	C	S	.	.	H	α-helix	trans	-60.9	-47.7	174.9	-62.9	179	0	0	0	111.6	V378 V381 E382 L385 T405 Y406 I407 K411 R412 A413	V378-L409 HydrophobicContact CB-CD1 4.47Å; V378-L409 HydrophobicContact CG1-CD1 4.04Å; V378-L409 HydrophobicContact CG1-CD2 4.21Å; V381-L409 HydrophobicContact CB-CD1 3.82Å; V381-L409 HydrophobicContact CG1-CB 4.17Å; V381-L409 HydrophobicContact CG1-CD1 3.56Å; V381-L409 HydrophobicContact CG1-CG 4.49Å; E382-L409 HydrophobicContact CG-CD1 4.47Å; E382-L409 HydrophobicContact CG-CD2 3.64Å; E382-L409 VanDerWaalsContact OE1-CD2 3.25Å; E382-L409 WeakPolarHBondContact OE1-CD2 3.45Å; L385-L409 HydrophobicContact CD1-CB 4.38Å; T405-L409 WeakPolarHBondContact O-CG 3.41Å; T405-L409 PolarHBondContact O-N 3.04Å; Y406-L409 HydrophobicContact CD1-CD1 4.24Å; Y406-L409 PolarHBondContact O-N 3.06Å; I407-L409 PolarHBondContact O-N 2.82Å; L409-K411 PolarHBondContact O-N 2.56Å; L409-R412 VanDerWaalsContact CD2-CZ 3.48Å; L409-R412 PolarHBondContact O-N 3.07Å; L409-A413 PolarHBondContact O-N 3.09Å; L409-A413 VanDerWaalsContact O-N 3.11Å
410	A	98	Very high	97.5	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.008	28%	0.282	C	S	.	.	H	α-helix	trans	-60.2	-46.7	179	0	0	0	0	0	111.3	V339 Y406 I407 R412 A413 N414 V415 C417	V339-A410 HydrophobicContact CB-CB 4.15Å; V339-A410 HydrophobicContact CG2-CB 3.89Å; Y406-A410 PolarHBondContact O-N 2.74Å; I407-A410 PolarHBondContact O-N 2.87Å; A410-R412 PolarHBondContact O-N 3.47Å; A410-A413 CarbonylContact O-C 3.52Å; A410-A413 PolarHBondContact O-N 3.43Å; A410-N414 PolarHBondContact O-N 3.02Å; A410-N414 VanDerWaalsContact O-N 3.07Å; A410-V415 HydrophobicContact CB-CG2 3.91Å; A410-V415 WeakPolarHBondContact O-CG2 3.45Å; A410-V415 PolarHBondContact O-N 2.78Å; A410-C417 HydrophobicContact CB-CB 3.67Å
411	K	97.6	Very high	97.6	Very high	173 Å²	173	50.1 Å²	50.1	75%	0.752	26%	0.264	S	S	*	.	H	α-helix	trans	-59.9	-43.6	177.8	-175.5	176.3	-179.4	176.9	0	112.4	I407 A408 L409 A413 N414	I407-K411 WeakPolarHBondContact O-CB 3.24Å; I407-K411 PolarHBondContact O-N 3.11Å; A408-K411 PolarHBondContact O-N 2.78Å; L409-K411 PolarHBondContact O-N 2.56Å; K411-A413 VanDerWaalsContact C-N 3.3Å; K411-A413 PolarHBondContact O-N 3.41Å; K411-N414 PolarHBondContact O-N 3.41Å; K411-N414 VanDerWaalsContact O-N 3.13Å
412	R	97.1	Very high	97.6	Very high	165 Å²	165	42.4 Å²	42.4	62%	0.623	23%	0.231	S	C	*	.	H	α-helix	trans	-66	-32.8	178	-72.1	-176.5	-19.6	-142.1	0.6	112.9	E382 A408 L409 A410 N414	E382-R412 IonicContact OE1-CZ 3.75Å; E382-R412 IonicContact OE1-NH1 3.33Å; E382-R412 IonicContact OE1-NH2 3.22Å; E382-R412 PolarHBondContact OE1-NH2 3.04Å; A408-R412 WeakPolarHBondContact O-CG 3.44Å; A408-R412 PolarHBondContact O-N 2.99Å; L409-R412 VanDerWaalsContact CD2-CZ 3.48Å; L409-R412 PolarHBondContact O-N 3.07Å; A410-R412 PolarHBondContact O-N 3.47Å; R412-N414 VanDerWaalsContact C-N 3.25Å
413	A	97	Very high	97.7	Very high	44 Å²	44	43.1 Å²	43.1	36%	0.364	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	0.9	175.1	0	0	0	0	0	113.2	L385 L409 A410 K411 V415	L385-A413 HydrophobicContact CB-CB 4.09Å; L385-A413 HydrophobicContact CD1-CB 3.8Å; L385-A413 HydrophobicContact CG-CB 4.37Å; L409-A413 PolarHBondContact O-N 3.09Å; L409-A413 VanDerWaalsContact O-N 3.11Å; A410-A413 CarbonylContact O-C 3.52Å; A410-A413 PolarHBondContact O-N 3.43Å; K411-A413 VanDerWaalsContact C-N 3.3Å; K411-A413 PolarHBondContact O-N 3.41Å; A413-V415 VanDerWaalsContact C-N 3.28Å; A413-V415 HydrophobicContact CB-CG1 4.4Å; A413-V415 HydrophobicContact CB-CG2 4.2Å; A413-V415 PolarHBondContact O-N 3.37Å
414	N	96.9	Very high	97.5	Very high	154 Å²	154	43.8 Å²	43.8	82%	0.824	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.4	41.2	-176.1	-165.2	49	0	0	0	113.3	A410 K411 R412	A410-N414 PolarHBondContact O-N 3.02Å; A410-N414 VanDerWaalsContact O-N 3.07Å; K411-N414 PolarHBondContact O-N 3.41Å; K411-N414 VanDerWaalsContact O-N 3.13Å; R412-N414 VanDerWaalsContact C-N 3.25Å
415	V	97.6	Very high	97.4	Very high	18 Å²	18	45.2 Å²	45.2	11%	0.109	24%	0.239	C	C	.	.			trans	-116.2	150.5	176.1	-60.2	0	0	0	0	110.9	Q337 V339 L385 A410 A413	Q337-V415 HydrophobicContact CB-CG1 4.2Å; Q337-V415 HydrophobicContact CG-CG1 3.97Å; V339-V415 HydrophobicContact CG2-CG2 4Å; L385-V415 HydrophobicContact CD1-CG2 4.49Å; L385-V415 HydrophobicContact CD2-CG1 4.5Å; L385-V415 HydrophobicContact CD2-CG2 3.77Å; A410-V415 HydrophobicContact CB-CG2 3.91Å; A410-V415 WeakPolarHBondContact O-CG2 3.45Å; A410-V415 PolarHBondContact O-N 2.78Å; A413-V415 VanDerWaalsContact C-N 3.28Å; A413-V415 HydrophobicContact CB-CG1 4.4Å; A413-V415 HydrophobicContact CB-CG2 4.2Å; A413-V415 PolarHBondContact O-N 3.37Å
416	D	97.1	Very high	97.2	Very high	75 Å²	75	43.4 Å²	43.4	40%	0.401	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	141.4	177.5	-76.3	-29.3	0	0	0	111.2	E338 V339	E338-D416 WeakPolarHBondContact CA-O 3.38Å; V339-D416 PolarHBondContact N-O 3.35Å
417	C	98.4	Very high	97.1	Very high	6 Å²	6	45.6 Å²	45.6	4%	0.041	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	112.5	174.4	-165.3	0	0	0	0	110.1	V339 A410 F469 S470	V339-C417 CarbonylContact O-C 3.49Å; V339-C417 VanDerWaalsContact O-CA 3.28Å; V339-C417 WeakPolarHBondContact O-CA 3.37Å; A410-C417 HydrophobicContact CB-CB 3.67Å; C417-F469 HydrophobicContact CB-CD1 4.42Å; C417-F469 CarbonylContact O-C 3.5Å; C417-F469 WeakPolarHBondContact O-CA 3.48Å; C417-S470 PolarHBondContact O-N 2.76Å; C417-S470 PolarHBondContact O-OG 2.99Å
418	R	98.5	Very high	96.9	Very high	5 Å²	5	45.7 Å²	45.7	2%	0.019	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	152	177.6	-63.5	-166.8	-63.5	150.1	0.2	111.1	P331 L332 E338 V339 I340 V341 F420 S470 S471	P331-R418 PolarHBondContact O-NH1 2.99Å; L332-R418 PolarHBondContact O-NH2 3.43Å; E338-R418 VanDerWaalsContact CD-NH2 3.27Å; E338-R418 IonicContact OE1-CZ 2.74Å; E338-R418 IonicContact OE1-NH2 2.86Å; E338-R418 PolarHBondContact OE1-NH2 3.4Å; E338-R418 VanDerWaalsContact OE1-NH2 3.07Å; E338-R418 IonicContact OE2-CZ 3.12Å; E338-R418 IonicContact OE2-NE 3.69Å; E338-R418 PolarHBondContact OE2-NE 3.22Å; E338-R418 IonicContact OE2-NH2 3.7Å; E338-R418 PolarHBondContact OE2-NH2 3Å; V339-R418 PolarHBondContact O-N 3.05Å; I340-R418 CarbonylContact C-O 3.45Å; I340-R418 WeakPolarHBondContact CA-O 3.39Å; I340-R418 HydrophobicContact CG1-CB 4.47Å; V341-R418 PolarHBondContact N-O 3.44Å; R418-F420 HydrophobicContact CB-CE1 4.24Å; R418-S470 VanDerWaalsContact CG-OG 3.32Å; R418-S470 WeakPolarHBondContact CG-OG 3.46Å; R418-S471 WeakPolarHBondContact CA-O 3.28Å; R418-S471 WeakPolarHBondContact CD-OG 3.35Å; R418-S471 WeakPolarHBondContact CG-OG 3.26Å
419	C	98.7	Very high	96.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	126.7	177.1	-179.4	0	0	0	0	110.7	V341 V343 F469 S471 I472 V473	V341-C419 WeakPolarHBondContact O-CA 3.3Å; V343-C419 VanDerWaalsContact CG2-SG 3.56Å; C419-F469 HydrophobicContact CB-CD1 3.71Å; C419-F469 HydrophobicContact CB-CD2 3.89Å; C419-F469 HydrophobicContact CB-CE1 3.74Å; C419-F469 HydrophobicContact CB-CE2 3.91Å; C419-F469 HydrophobicContact CB-CG 3.79Å; C419-F469 HydrophobicContact CB-CZ 3.82Å; C419-S471 PolarHBondContact N-O 3.19Å; C419-I472 HydrophobicContact CB-CB 4.46Å; C419-I472 HydrophobicContact CB-CG1 3.97Å; C419-I472 HydrophobicContact CB-CG2 4.33Å; C419-I472 WeakPolarHBondContact O-CA 3.46Å; C419-V473 PolarHBondContact O-N 3.22Å
420	F	98.6	Very high	96.6	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	106.6	176.2	-77.7	34.1	0	0	0	107.9	L325 L332 I340 V341 L342 V343 F353 R418 V473	L325-F420 HydrophobicContact CD1-CE2 4Å; L325-F420 HydrophobicContact CD1-CZ 4.09Å; L325-F420 HydrophobicContact CD2-CD2 4.05Å; L325-F420 HydrophobicContact CD2-CE2 3.95Å; L332-F420 HydrophobicContact CD1-CE2 4.08Å; I340-F420 HydrophobicContact CD1-CE1 4.21Å; I340-F420 HydrophobicContact CD1-CE2 4.4Å; I340-F420 HydrophobicContact CD1-CZ 3.98Å; I340-F420 HydrophobicContact CG1-CE1 4.41Å; I340-F420 HydrophobicContact CG2-CB 4.15Å; I340-F420 HydrophobicContact CG2-CD1 3.66Å; I340-F420 HydrophobicContact CG2-CD2 4.14Å; I340-F420 HydrophobicContact CG2-CE1 4.06Å; I340-F420 HydrophobicContact CG2-CE2 4.48Å; I340-F420 HydrophobicContact CG2-CG 3.73Å; I340-F420 HydrophobicContact CG2-CZ 4.46Å; V341-F420 PolarHBondContact O-N 2.8Å; L342-F420 WeakPolarHBondContact CA-O 3.42Å; L342-F420 HydrophobicContact CD2-CB 3.71Å; L342-F420 HydrophobicContact CD2-CD2 4.4Å; L342-F420 HydrophobicContact CD2-CG 4.35Å; V343-F420 PolarHBondContact N-O 2.8Å; F353-F420 AromaticContact CE1-CD2 3.72Å; F353-F420 HydrophobicContact CE1-CD2 3.72Å; F353-F420 HydrophobicContact CE1-CE2 4.06Å; F353-F420 AromaticContact CZ-CD2 3.84Å; F353-F420 HydrophobicContact CZ-CD2 3.84Å; F353-F420 HydrophobicContact CZ-CE2 4.05Å; R418-F420 HydrophobicContact CB-CE1 4.24Å; F420-V473 HydrophobicContact CB-CG2 4.39Å; F420-V473 HydrophobicContact CD1-CG2 3.33Å; F420-V473 HydrophobicContact CD2-CG2 4.17Å; F420-V473 HydrophobicContact CE1-CG2 3.5Å; F420-V473 VanDerWaalsContact CE1-CG2 3.5Å; F420-V473 HydrophobicContact CE2-CG2 4.31Å; F420-V473 HydrophobicContact CG-CG2 3.69Å; F420-V473 HydrophobicContact CZ-CG2 4Å
421	V	98.5	Very high	96.5	Very high	3 Å²	3	46.1 Å²	46.1	2%	0.018	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	118.9	-179.8	-174	0	0	0	0	109.1	V343 N423 P463 I472 V473 R474 A475	V343-V421 HydrophobicContact CB-CG2 4.38Å; V343-V421 CarbonylContact O-C 3.58Å; V343-V421 WeakPolarHBondContact O-CA 3.36Å; V421-N423 PolarHBondContact O-N 3.13Å; V421-N423 VanDerWaalsContact O-N 3.16Å; V421-P463 HydrophobicContact CG2-CB 4.39Å; V421-P463 HydrophobicContact CG2-CG 3.8Å; V421-I472 HydrophobicContact CG2-CG2 3.99Å; V421-V473 PolarHBondContact N-O 2.87Å; V421-R474 CarbonylContact O-C 3.49Å; V421-R474 WeakPolarHBondContact O-CA 3.26Å; V421-A475 PolarHBondContact O-N 2.93Å
422	M	97.8	Very high	96.3	Very high	13 Å²	13	38.2 Å²	38.2	6%	0.064	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	121.1	176.5	-58.7	-52.8	-58.6	0	0	110.4	V343 S348 K350 F353 V424 A475	V343-M422 PolarHBondContact O-N 2.75Å; S348-M422 WeakPolarHBondContact OG-CG 3.47Å; K350-M422 HydrophobicContact CB-CG 4.44Å; K350-M422 HydrophobicContact CB-SD 4.48Å; K350-M422 HydrophobicContact CD-CG 4.07Å; K350-M422 HydrophobicContact CG-CG 3.26Å; K350-M422 HydrophobicContact CG-SD 3.79Å; F353-M422 HydrophobicContact CB-CE 4.16Å; F353-M422 HydrophobicContact CD2-CE 4.32Å; F353-M422 HydrophobicContact CG-CE 4.42Å; M422-V424 PolarHBondContact O-N 3.28Å; M422-A475 HydrophobicContact CE-CB 4.11Å; M422-A475 HydrophobicContact SD-CB 3.83Å
423	N	95.8	Very high	96	Very high	59 Å²	59	30.6 Å²	30.6	32%	0.316	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	61.1	-179.3	-158.6	15.9	0	0	0	111.2	V421 R474 A475 N476	V421-N423 PolarHBondContact O-N 3.13Å; V421-N423 VanDerWaalsContact O-N 3.16Å; N423-R474 HydrophobicContact CB-CB 4.03Å; N423-A475 WeakPolarHBondContact CB-O 3.34Å; N423-A475 PolarHBondContact N-O 3Å; N423-N476 PolarHBondContact ND2-OD1 3.1Å
424	V	94.5	Very high	95.8	Very high	14 Å²	14	28.8 Å²	28.8	9%	0.085	15%	0.151	C	C	.	.			trans	-132.3	125.9	-176.1	174.6	0	0	0	0	108.8	M422 H428 A429 F477	M422-V424 PolarHBondContact O-N 3.28Å; V424-H428 HydrophobicContact CG1-CB 3.81Å; V424-A429 HydrophobicContact CG1-CB 3.94Å; V424-F477 HydrophobicContact CG2-CB 3.74Å; V424-F477 HydrophobicContact CG2-CD2 3.94Å; V424-F477 HydrophobicContact CG2-CG 4.21Å
425	T	94.6	Very high	95.6	Very high	80 Å²	80	22.1 Å²	22.1	49%	0.491	11%	0.114	S	C	.	.			trans	-70.8	163.9	176.1	66.9	0	0	0	0	111.4	E427 H428 A429	T425-E427 VanDerWaalsContact C-N 3.3Å; T425-E427 PolarHBondContact O-N 3.41Å; T425-H428 PolarHBondContact O-N 3.32Å; T425-H428 WeakPolarHBondContact OG1-CB 3.46Å; T425-H428 PolarHBondContact OG1-N 3.08Å; T425-A429 PolarHBondContact O-N 3.25Å
426	F	94	Very high	95.2	Very high	23 Å²	23	22.9 Å²	22.9	10%	0.101	12%	0.115	C	C	.	.	H	α-helix	trans	-57.9	-43.5	177.2	-176.2	-98	0	0	0	112.8	I345 A429 R430 M453 N454 K457	I345-F426 VanDerWaalsContact CD1-CA 3.42Å; I345-F426 HydrophobicContact CD1-CB 3.98Å; I345-F426 HydrophobicContact CD1-CD2 4.21Å; I345-F426 HydrophobicContact CG2-CD2 4.33Å; F426-A429 PolarHBondContact O-N 3.44Å; F426-R430 VanDerWaalsContact CE1-CD 3.43Å; F426-R430 HydrophobicContact CE1-CG 4.21Å; F426-R430 HydrophobicContact CZ-CG 4.44Å; F426-R430 WeakPolarHBondContact O-CG 3.23Å; F426-R430 PolarHBondContact O-N 3.15Å; F426-M453 HydrophobicContact CE2-CB 3.66Å; F426-M453 WeakPolarHBondContact CE2-O 3.4Å; F426-M453 HydrophobicContact CZ-CB 3.98Å; F426-N454 WeakPolarHBondContact CZ-OD1 3.45Å; F426-K457 HydrophobicContact CD1-CD 4.34Å; F426-K457 HydrophobicContact CD2-CB 4.06Å; F426-K457 HydrophobicContact CD2-CD 3.86Å; F426-K457 HydrophobicContact CD2-CG 4.35Å; F426-K457 HydrophobicContact CE1-CD 4.47Å; F426-K457 HydrophobicContact CE2-CB 3.97Å; F426-K457 HydrophobicContact CE2-CD 4.02Å; F426-K457 HydrophobicContact CG-CD 4.03Å; F426-K457 HydrophobicContact CZ-CD 4.34Å
427	E	94.2	Very high	94.6	Very high	58 Å²	58	24.5 Å²	24.5	27%	0.271	12%	0.116	S	C	.	.	H	α-helix	trans	-68.6	-37.2	179.8	-64.8	72.4	-157.9	0	0	111.5	A310 F311 T425 R430 H431	A310-E427 HydrophobicContact CB-CG 4.26Å; F311-E427 HydrophobicContact CB-CB 3.72Å; T425-E427 VanDerWaalsContact C-N 3.3Å; T425-E427 PolarHBondContact O-N 3.41Å; E427-R430 PolarHBondContact O-N 2.94Å; E427-H431 WeakPolarHBondContact O-CB 3.34Å; E427-H431 PolarHBondContact O-N 3Å
428	H	95.3	Very high	93.9	Very high	15 Å²	15	26.1 Å²	26.1	7%	0.069	12%	0.123	C	C	.	.	H	α-helix	trans	-68.4	-41.1	174.4	-173.6	-174.1	0	0	0	111.7	F311 V424 T425 R430 H431 N432 F477 Y490	F311-H428 HydrophobicContact CD2-CB 3.68Å; F311-H428 AromaticContact CD2-CG 3.95Å; F311-H428 AromaticContact CE1-CD2 3.93Å; F311-H428 HydrophobicContact CE2-CB 3.72Å; F311-H428 AromaticContact CE2-CD2 3.6Å; F311-H428 AromaticContact CE2-CG 3.43Å; F311-H428 VanDerWaalsContact CE2-CG 3.43Å; F311-H428 AromaticContact CE2-ND1 3.8Å; F311-H428 HydrophobicContact CG-CB 4.12Å; F311-H428 HydrophobicContact CZ-CB 4.19Å; F311-H428 AromaticContact CZ-CD2 3.32Å; F311-H428 WeakPolarHBondContact CZ-CD2 3.33Å; F311-H428 AromaticContact CZ-CG 3.69Å; F311-H428 AromaticContact CZ-NE2 3.75Å; V424-H428 HydrophobicContact CG1-CB 3.81Å; T425-H428 PolarHBondContact O-N 3.32Å; T425-H428 WeakPolarHBondContact OG1-CB 3.46Å; T425-H428 PolarHBondContact OG1-N 3.08Å; H428-R430 PolarHBondContact O-N 3.39Å; H428-H431 WeakPolarHBondContact O-CB 3.4Å; H428-H431 PolarHBondContact O-N 3.22Å; H428-N432 WeakPolarHBondContact O-CB 3.44Å; H428-N432 PolarHBondContact O-N 3.13Å; H428-F477 AromaticContact CE1-CD1 3.39Å; H428-F477 WeakPolarHBondContact CE1-CD1 3.2Å; H428-F477 AromaticContact CE1-CE1 3.92Å; H428-F477 AromaticContact CE1-CG 3.47Å; H428-F477 VanDerWaalsContact CE1-CG 3.47Å; H428-F477 WeakPolarHBondContact CE1-CG 3.4Å; H428-F477 AromaticContact NE2-CD1 3.55Å; H428-F477 AromaticContact NE2-CE1 3.57Å; H428-F477 AromaticContact NE2-CG 3.85Å; H428-F477 AromaticContact NE2-CZ 3.92Å; H428-Y490 PolarHBondContact CD2-OH 2.85Å; H428-Y490 PolarHBondContact NE2-OH 3.14Å; H428-Y490 VanDerWaalsContact NE2-OH 3.13Å
429	A	94.8	Very high	93.2	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-62.6	-41.3	174.7	0	0	0	0	0	112.2	I345 V424 T425 F426 N432 N433	I345-A429 HydrophobicContact CB-CB 3.99Å; I345-A429 HydrophobicContact CD1-CB 4.34Å; I345-A429 HydrophobicContact CG2-CB 3.86Å; V424-A429 HydrophobicContact CG1-CB 3.94Å; T425-A429 PolarHBondContact O-N 3.25Å; F426-A429 PolarHBondContact O-N 3.44Å; A429-N432 PolarHBondContact O-N 3.06Å; A429-N433 WeakPolarHBondContact O-CB 3.38Å; A429-N433 PolarHBondContact O-N 3.14Å
430	R	94	Very high	92.1	Very high	59 Å²	59	30.5 Å²	30.5	22%	0.223	16%	0.159	C	C	.	.	H	α-helix	trans	-60.4	-45.5	173.1	-75.8	-176.3	78.8	-147	3.7	111.6	F426 E427 H428 N433 A434 D450 M453 L495	F426-R430 VanDerWaalsContact CE1-CD 3.43Å; F426-R430 HydrophobicContact CE1-CG 4.21Å; F426-R430 HydrophobicContact CZ-CG 4.44Å; F426-R430 WeakPolarHBondContact O-CG 3.23Å; F426-R430 PolarHBondContact O-N 3.15Å; E427-R430 PolarHBondContact O-N 2.94Å; H428-R430 PolarHBondContact O-N 3.39Å; R430-N433 PolarHBondContact O-N 2.76Å; R430-A434 PolarHBondContact O-N 3.06Å; R430-D450 IonicContact CZ-OD1 2.67Å; R430-D450 IonicContact CZ-OD2 2.89Å; R430-D450 IonicContact NE-OD1 3.98Å; R430-D450 PolarHBondContact NE-OD1 3.36Å; R430-D450 IonicContact NE-OD2 2.66Å; R430-D450 IonicContact NH2-OD1 3.63Å; R430-D450 PolarHBondContact NH2-OD1 3.49Å; R430-D450 IonicContact NH2-OD2 3.28Å; R430-D450 PolarHBondContact NH2-OD2 3.32Å; R430-M453 HydrophobicContact CB-SD 4.28Å; R430-M453 HydrophobicContact CG-CE 4.49Å; R430-M453 HydrophobicContact CG-SD 3.38Å; R430-M453 WeakPolarHBondContact CG-SD 3.28Å; R430-L495 HydrophobicContact CB-CD1 3.71Å
431	H	94.9	Very high	90.5	Very high	5 Å²	5	33.9 Å²	33.9	2%	0.023	18%	0.18	C	C	.	.	H	α-helix	trans	-60.1	-47.6	176.8	178.1	86.9	0	0	0	112	F311 E427 H428 N433 A434 Y435 Y490 M492 L494	F311-H431 HydrophobicContact CD1-CB 3.81Å; F311-H431 AromaticContact CD1-CG 3.9Å; F311-H431 HydrophobicContact CE1-CB 3.78Å; F311-H431 AromaticContact CE1-CD2 3.54Å; F311-H431 AromaticContact CE1-CG 3.5Å; E427-H431 WeakPolarHBondContact O-CB 3.34Å; E427-H431 PolarHBondContact O-N 3Å; H428-H431 WeakPolarHBondContact O-CB 3.4Å; H428-H431 PolarHBondContact O-N 3.22Å; H431-N433 VanDerWaalsContact C-N 3.28Å; H431-N433 PolarHBondContact O-N 2.91Å; H431-A434 WeakPolarHBondContact O-CB 3.42Å; H431-A434 PolarHBondContact O-N 2.77Å; H431-A434 VanDerWaalsContact O-N 3.14Å; H431-Y435 PolarHBondContact O-N 3.05Å; H431-Y490 AromaticContact CD2-CE1 3.7Å; H431-Y490 AromaticContact CD2-CZ 3.71Å; H431-Y490 PolarHBondContact CE1-O 3.3Å; H431-Y490 VanDerWaalsContact CE1-O 3.25Å; H431-Y490 AromaticContact NE2-CD1 3.75Å; H431-Y490 AromaticContact NE2-CE1 3.72Å; H431-Y490 PolarHBondContact NE2-O 2.92Å; H431-M492 PolarHBondContact CE1-O 3.02Å; H431-L494 VanDerWaalsContact CE1-CD1 3.41Å; H431-L494 WeakPolarHBondContact CE1-CD1 3.03Å
432	N	94.2	Very high	88.6	Confident	6 Å²	6	37.4 Å²	37.4	3%	0.032	20%	0.199	C	C	.	.	H	α-helix	trans	-60.6	-38.9	177.4	-168	46.1	0	0	0	111.9	G347 H428 A429 Y435 R436 Y490	G347-N432 PolarHBondContact O-ND2 2.79Å; H428-N432 WeakPolarHBondContact O-CB 3.44Å; H428-N432 PolarHBondContact O-N 3.13Å; A429-N432 PolarHBondContact O-N 3.06Å; N432-Y435 PolarHBondContact O-N 3.12Å; N432-R436 PolarHBondContact ND2-NE 2.75Å; N432-R436 VanDerWaalsContact O-CG 3.31Å; N432-R436 WeakPolarHBondContact O-CG 3.49Å; N432-R436 PolarHBondContact O-N 3.25Å; N432-Y490 WeakPolarHBondContact OD1-CE2 3.35Å; N432-Y490 PolarHBondContact OD1-OH 3.14Å
433	N	91.8	Very high	86.7	Confident	5 Å²	5	46.3 Å²	46.3	3%	0.027	24%	0.237	C	C	.	.	H	α-helix	trans	-66.6	-40.9	174.8	-172.4	53.8	0	0	0	112.4	A429 R430 H431 Y435 R436 R437 I448 M453	A429-N433 WeakPolarHBondContact O-CB 3.38Å; A429-N433 PolarHBondContact O-N 3.14Å; R430-N433 PolarHBondContact O-N 2.76Å; H431-N433 VanDerWaalsContact C-N 3.28Å; H431-N433 PolarHBondContact O-N 2.91Å; N433-Y435 VanDerWaalsContact C-N 3.35Å; N433-R436 PolarHBondContact O-N 2.88Å; N433-R437 WeakPolarHBondContact O-CB 3.5Å; N433-R437 WeakPolarHBondContact O-CG 3.28Å; N433-R437 PolarHBondContact O-N 3.03Å; N433-I448 PolarHBondContact ND2-O 3.3Å; N433-M453 HydrophobicContact CB-CE 3.4Å; N433-M453 VanDerWaalsContact CB-CE 3.4Å
434	A	91.5	Very high	84.7	Confident	7 Å²	7	46.2 Å²	46.2	6%	0.058	25%	0.245	C	C	.	.	H	α-helix	trans	-60.6	-45.1	174.2	0	0	0	0	0	111.4	R430 H431 R437 M438 L494 L495	R430-A434 PolarHBondContact O-N 3.06Å; H431-A434 WeakPolarHBondContact O-CB 3.42Å; H431-A434 PolarHBondContact O-N 2.77Å; H431-A434 VanDerWaalsContact O-N 3.14Å; A434-R437 PolarHBondContact O-N 2.8Å; A434-M438 WeakPolarHBondContact O-CG 3.39Å; A434-M438 PolarHBondContact O-N 3.2Å; A434-L494 HydrophobicContact CB-CB 4.22Å; A434-L495 HydrophobicContact CB-CD2 3.72Å; A434-L495 HydrophobicContact CB-CG 4.09Å
435	Y	92.5	Very high	83	Confident	13 Å²	13	46.6 Å²	46.6	5%	0.051	25%	0.245	C	C	.	.	H	α-helix	trans	-56.2	-53.6	174.5	169.3	-98.8	0	0	0	112.2	H431 N432 N433 R437 M438 I439 H486 I489 Y490	H431-Y435 PolarHBondContact O-N 3.05Å; N432-Y435 PolarHBondContact O-N 3.12Å; N433-Y435 VanDerWaalsContact C-N 3.35Å; Y435-R437 VanDerWaalsContact C-N 3.3Å; Y435-R437 PolarHBondContact O-N 2.95Å; Y435-M438 PolarHBondContact O-N 3.19Å; Y435-M438 VanDerWaalsContact O-N 3.08Å; Y435-I439 HydrophobicContact CD2-CG1 3.87Å; Y435-I439 HydrophobicContact CE1-CG1 4.37Å; Y435-I439 HydrophobicContact CE2-CD1 4.21Å; Y435-I439 HydrophobicContact CE2-CG1 3.46Å; Y435-I439 VanDerWaalsContact CE2-CG1 3.46Å; Y435-I439 HydrophobicContact CG-CG1 4.49Å; Y435-I439 PolarHBondContact O-N 3.42Å; Y435-H486 WeakPolarHBondContact CE2-O 3.45Å; Y435-H486 WeakPolarHBondContact OH-CB 3.34Å; Y435-I489 HydrophobicContact CD2-CG2 4.19Å; Y435-I489 HydrophobicContact CE2-CG2 4.44Å; Y435-Y490 AromaticContact CD1-CD2 3.6Å; Y435-Y490 HydrophobicContact CD1-CD2 3.6Å; Y435-Y490 AromaticContact CD1-CE2 3.86Å; Y435-Y490 HydrophobicContact CD1-CE2 3.86Å; Y435-Y490 AromaticContact CD2-CD2 3.57Å; Y435-Y490 HydrophobicContact CD2-CD2 3.57Å; Y435-Y490 HydrophobicContact CD2-CE2 4.5Å; Y435-Y490 HydrophobicContact CD2-CG 4.25Å; Y435-Y490 AromaticContact CE1-CD2 4Å; Y435-Y490 HydrophobicContact CE1-CD2 4Å; Y435-Y490 HydrophobicContact CE1-CE2 4.48Å; Y435-Y490 AromaticContact CE2-CD2 3.95Å; Y435-Y490 HydrophobicContact CE2-CD2 3.95Å; Y435-Y490 AromaticContact CG-CD2 3.37Å; Y435-Y490 HydrophobicContact CG-CD2 3.37Å; Y435-Y490 AromaticContact CG-CE2 3.88Å; Y435-Y490 HydrophobicContact CG-CE2 3.88Å; Y435-Y490 HydrophobicContact CG-CG 4.42Å
436	R	89.2	Confident	81.2	Confident	35 Å²	35	46.3 Å²	46.3	13%	0.132	25%	0.247	C	C	.	.	H	α-helix	trans	-58.6	-40.6	-178.9	-71.5	177	-177	-147.2	-6.3	112.6	N432 N433 M438 G440 H445	N432-R436 PolarHBondContact ND2-NE 2.75Å; N432-R436 VanDerWaalsContact O-CG 3.31Å; N432-R436 WeakPolarHBondContact O-CG 3.49Å; N432-R436 PolarHBondContact O-N 3.25Å; N433-R436 PolarHBondContact O-N 2.88Å; R436-M438 VanDerWaalsContact C-N 3.32Å; R436-M438 PolarHBondContact O-N 3.09Å; R436-G440 PolarHBondContact O-N 2.96Å; R436-H445 HydrophobicContact CB-CB 4.41Å; R436-H445 VanDerWaalsContact CD-CD2 3.48Å; R436-H445 WeakPolarHBondContact CD-CD2 3.4Å; R436-H445 PolarHBondContact NH1-NE2 2.8Å
437	R	85.2	Confident	79.7	Confident	108 Å²	108	51.2 Å²	51.2	41%	0.408	27%	0.274	S	S	.	.	H	α-helix	trans	-63.4	-35.9	176.9	-76.2	173	167.9	-165.2	-12.6	113.1	N433 A434 Y435 H445 S446 I448	N433-R437 WeakPolarHBondContact O-CB 3.5Å; N433-R437 WeakPolarHBondContact O-CG 3.28Å; N433-R437 PolarHBondContact O-N 3.03Å; A434-R437 PolarHBondContact O-N 2.8Å; Y435-R437 VanDerWaalsContact C-N 3.3Å; Y435-R437 PolarHBondContact O-N 2.95Å; R437-H445 PolarHBondContact NE-O 2.94Å; R437-S446 PolarHBondContact NH2-O 2.93Å; R437-I448 VanDerWaalsContact CZ-O 3.27Å; R437-I448 VanDerWaalsContact NH2-C 3.33Å; R437-I448 PolarHBondContact NH2-O 3.42Å
438	M	83.8	Confident	79	Confident	40 Å²	40	49.8 Å²	49.8	20%	0.197	27%	0.268	C	S	.	.	H	α-helix	trans	-79.3	-44.7	-179.1	-69.3	-176.5	-61.7	0	0	113.1	F230 R235 A434 Y435 R436 G440 I489 L494	F230-M438 HydrophobicContact CD2-SD 4.02Å; R235-M438 WeakPolarHBondContact CD-SD 3.27Å; R235-M438 HydrophobicContact CG-SD 3.97Å; R235-M438 PolarHBondContact NE-SD 3.29Å; A434-M438 WeakPolarHBondContact O-CG 3.39Å; A434-M438 PolarHBondContact O-N 3.2Å; Y435-M438 PolarHBondContact O-N 3.19Å; Y435-M438 VanDerWaalsContact O-N 3.08Å; R436-M438 VanDerWaalsContact C-N 3.32Å; R436-M438 PolarHBondContact O-N 3.09Å; M438-G440 VanDerWaalsContact C-N 3.26Å; M438-G440 PolarHBondContact O-N 3.03Å; M438-I489 HydrophobicContact CE-CG2 4.21Å; M438-L494 HydrophobicContact CE-CB 4.09Å; M438-L494 HydrophobicContact CE-CD1 3.42Å; M438-L494 VanDerWaalsContact CE-CD1 3.42Å; M438-L494 HydrophobicContact CE-CD2 3.59Å; M438-L494 HydrophobicContact CE-CG 3.84Å; M438-L494 HydrophobicContact SD-CD2 4.49Å
439	I	83.3	Confident	78.4	Confident	44 Å²	44	51.9 Å²	51.9	23%	0.226	28%	0.282	C	S	.	.	H	α-helix	trans	-74.2	-23.4	-179.5	-58.2	-56	0	0	0	111	Y435 T441 H486 I489	Y435-I439 HydrophobicContact CD2-CG1 3.87Å; Y435-I439 HydrophobicContact CE1-CG1 4.37Å; Y435-I439 HydrophobicContact CE2-CD1 4.21Å; Y435-I439 HydrophobicContact CE2-CG1 3.46Å; Y435-I439 VanDerWaalsContact CE2-CG1 3.46Å; Y435-I439 HydrophobicContact CG-CG1 4.49Å; Y435-I439 PolarHBondContact O-N 3.42Å; I439-T441 VanDerWaalsContact C-N 3.35Å; I439-T441 HydrophobicContact CB-CG2 4.08Å; I439-T441 HydrophobicContact CG2-CG2 3.6Å; I439-H486 WeakPolarHBondContact CG2-CE1 3.44Å; I439-I489 HydrophobicContact CD1-CD1 3.67Å; I439-I489 HydrophobicContact CD1-CG2 4.28Å
440	G	76.7	Confident	78	Confident	53 Å²	53	55.3 Å²	55.3	55%	0.546	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.6	27	178.8	0	0	0	0	0	112.9	R436 M438 D442	R436-G440 PolarHBondContact O-N 2.96Å; M438-G440 VanDerWaalsContact C-N 3.26Å; M438-G440 PolarHBondContact O-N 3.03Å; G440-D442 PolarHBondContact O-N 3.21Å; G440-D442 VanDerWaalsContact O-N 3.15Å
441	T	64.6	Low	77.7	Confident	72 Å²	72	57.4 Å²	57.4	44%	0.442	32%	0.319	S	S	.	.	S	Bend	trans	-62.7	-19.7	-179.1	53.4	0	0	0	0	113.4	I439	I439-T441 VanDerWaalsContact C-N 3.35Å; I439-T441 HydrophobicContact CB-CG2 4.08Å; I439-T441 HydrophobicContact CG2-CG2 3.6Å
442	D	58.6	Low	77.4	Confident	77 Å²	77	60.3 Å²	60.3	41%	0.412	34%	0.337	S	S	.	.			trans	-156.2	123.9	176.1	-172.3	-9.1	0	0	0	110.9	G440 A444 H445	G440-D442 PolarHBondContact O-N 3.21Å; G440-D442 VanDerWaalsContact O-N 3.15Å; D442-A444 PolarHBondContact O-N 2.94Å; D442-A444 VanDerWaalsContact OD1-CB 3.23Å; D442-A444 WeakPolarHBondContact OD1-CB 3.28Å; D442-A444 PolarHBondContact OD1-N 2.89Å; D442-H445 WeakPolarHBondContact CB-ND1 3.3Å; D442-H445 PolarHBondContact O-N 2.62Å; D442-H445 IonicContact OD2-CE1 3.87Å; D442-H445 PolarHBondContact OD2-CE1 2.89Å; D442-H445 VanDerWaalsContact OD2-CE1 3.27Å; D442-H445 IonicContact OD2-ND1 2.72Å; D442-H445 PolarHBondContact OD2-ND1 2.63Å
443	K	56.5	Low	77.3	Confident	199 Å²	199	60 Å²	60	87%	0.865	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-63.1	-25.1	175.9	-71.8	-176.1	179.9	177.1	0	111.8	H445 S446	K443-H445 VanDerWaalsContact C-N 3.33Å; K443-H445 PolarHBondContact O-N 2.88Å; K443-S446 PolarHBondContact O-N 2.77Å; K443-S446 PolarHBondContact O-OG 2.76Å
444	A	55.3	Low	77.3	Confident	58 Å²	58	63.8 Å²	63.8	48%	0.479	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-68.3	-26.9	-178.8	0	0	0	0	0	113.4	D442 S446 N447	D442-A444 PolarHBondContact O-N 2.94Å; D442-A444 VanDerWaalsContact OD1-CB 3.23Å; D442-A444 WeakPolarHBondContact OD1-CB 3.28Å; D442-A444 PolarHBondContact OD1-N 2.89Å; A444-S446 PolarHBondContact O-N 2.99Å; A444-N447 PolarHBondContact O-N 3.41Å
445	H	58.8	Low	77.4	Confident	22 Å²	22	66.2 Å²	66.2	10%	0.102	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-71.7	-9.1	-178.9	-72.6	64.5	0	0	0	114.4	R436 R437 D442 K443 N447 I448	R436-H445 HydrophobicContact CB-CB 4.41Å; R436-H445 VanDerWaalsContact CD-CD2 3.48Å; R436-H445 WeakPolarHBondContact CD-CD2 3.4Å; R436-H445 PolarHBondContact NH1-NE2 2.8Å; R437-H445 PolarHBondContact NE-O 2.94Å; D442-H445 WeakPolarHBondContact CB-ND1 3.3Å; D442-H445 PolarHBondContact O-N 2.62Å; D442-H445 IonicContact OD2-CE1 3.87Å; D442-H445 PolarHBondContact OD2-CE1 2.89Å; D442-H445 VanDerWaalsContact OD2-CE1 3.27Å; D442-H445 IonicContact OD2-ND1 2.72Å; D442-H445 PolarHBondContact OD2-ND1 2.63Å; K443-H445 VanDerWaalsContact C-N 3.33Å; K443-H445 PolarHBondContact O-N 2.88Å; H445-N447 PolarHBondContact O-N 2.86Å; H445-N447 VanDerWaalsContact O-N 3.11Å; H445-I448 PolarHBondContact O-N 3.36Å
446	S	56.3	Low	77.4	Confident	74 Å²	74	66.1 Å²	66.1	52%	0.517	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-53.4	-29.8	170.4	55.5	0	0	0	0	112	R437 K443 A444	R437-S446 PolarHBondContact NH2-O 2.93Å; K443-S446 PolarHBondContact O-N 2.77Å; K443-S446 PolarHBondContact O-OG 2.76Å; A444-S446 PolarHBondContact O-N 2.99Å
447	N	63	Low	77.7	Confident	125 Å²	125	70 Å²	70	67%	0.668	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-82.5	-13.1	-175.3	-65.9	-26.9	0	0	0	116	A444 H445 T449	A444-N447 PolarHBondContact O-N 3.41Å; H445-N447 PolarHBondContact O-N 2.86Å; H445-N447 VanDerWaalsContact O-N 3.11Å; N447-T449 PolarHBondContact O-N 3.36Å
448	I	78.2	Confident	78.1	Confident	28 Å²	28	69.1 Å²	69.1	14%	0.144	40%	0.403	C	S	.	.			trans	-81.6	91.4	-176.6	-52.6	-178.9	0	0	0	110.8	P346 N433 R437 H445 M453	P346-I448 HydrophobicContact CB-CD1 4.42Å; P346-I448 HydrophobicContact CB-CG2 3.73Å; N433-I448 PolarHBondContact ND2-O 3.3Å; R437-I448 VanDerWaalsContact CZ-O 3.27Å; R437-I448 VanDerWaalsContact NH2-C 3.33Å; R437-I448 PolarHBondContact NH2-O 3.42Å; H445-I448 PolarHBondContact O-N 3.36Å; I448-M453 HydrophobicContact CG2-CE 3.45Å; I448-M453 VanDerWaalsContact CG2-CE 3.45Å; I448-M453 HydrophobicContact CG2-CG 4Å
449	T	83.8	Confident	78.7	Confident	59 Å²	59	74.4 Å²	74.4	36%	0.362	42%	0.421	S	S	.	.			trans	-84.1	160.3	178.5	66.7	0	0	0	0	112.7	N447 V451 V452 M453	N447-T449 PolarHBondContact O-N 3.36Å; T449-V451 PolarHBondContact O-N 2.97Å; T449-V452 PolarHBondContact O-N 3.05Å; T449-V452 VanDerWaalsContact O-N 3.1Å; T449-V452 WeakPolarHBondContact OG1-CG2 3.43Å; T449-V452 PolarHBondContact OG1-N 3.42Å; T449-M453 PolarHBondContact O-N 3.41Å; T449-M453 VanDerWaalsContact O-N 3.16Å
450	D	85.1	Confident	79.4	Confident	73 Å²	73	75.8 Å²	75.8	39%	0.39	42%	0.424	S	S	.	.	H	α-helix	trans	-58	-29.6	171.8	-81.6	-23.8	0	0	0	111.8	R430 M453 N454	R430-D450 IonicContact CZ-OD1 2.67Å; R430-D450 IonicContact CZ-OD2 2.89Å; R430-D450 IonicContact NE-OD1 3.98Å; R430-D450 PolarHBondContact NE-OD1 3.36Å; R430-D450 IonicContact NE-OD2 2.66Å; R430-D450 IonicContact NH2-OD1 3.63Å; R430-D450 PolarHBondContact NH2-OD1 3.49Å; R430-D450 IonicContact NH2-OD2 3.28Å; R430-D450 PolarHBondContact NH2-OD2 3.32Å; D450-M453 PolarHBondContact O-N 2.48Å; D450-N454 VanDerWaalsContact O-CB 3.3Å; D450-N454 WeakPolarHBondContact O-CB 3.41Å; D450-N454 VanDerWaalsContact O-CG 3.23Å; D450-N454 PolarHBondContact O-N 2.91Å; D450-N454 PolarHBondContact O-ND2 3.11Å
451	V	88	Confident	80.4	Confident	103 Å²	103	76.8 Å²	76.8	62%	0.624	41%	0.414	S	S	*	.	H	α-helix	trans	-63.3	-45.4	175.3	178.5	0	0	0	0	111.1	T449 N454 T455	T449-V451 PolarHBondContact O-N 2.97Å; V451-N454 PolarHBondContact O-N 3.43Å; V451-T455 WeakPolarHBondContact O-CB 3.22Å; V451-T455 PolarHBondContact O-N 3.11Å; V451-T455 PolarHBondContact O-OG1 3.05Å
452	V	89.4	Confident	81.9	Confident	66 Å²	66	77.1 Å²	77.1	40%	0.4	41%	0.411	S	S	.	.	H	α-helix	trans	-63.5	-44	178.6	170.6	0	0	0	0	110.6	P346 T449 T455 F456	P346-V452 HydrophobicContact CB-CG1 4.23Å; P346-V452 HydrophobicContact CG-CG1 3.86Å; T449-V452 PolarHBondContact O-N 3.05Å; T449-V452 VanDerWaalsContact O-N 3.1Å; T449-V452 WeakPolarHBondContact OG1-CG2 3.43Å; T449-V452 PolarHBondContact OG1-N 3.42Å; V452-T455 PolarHBondContact O-N 2.62Å; V452-F456 PolarHBondContact O-N 3.38Å; V452-F456 VanDerWaalsContact O-N 3.11Å
453	M	91.5	Very high	83.8	Confident	0 Å²	0	73.9 Å²	73.9	0%	0	39%	0.394	C	S	.	.	H	α-helix	trans	-64.2	-46	176.3	-64.2	-166.4	179.7	0	0	112	I345 P346 F426 R430 N433 I448 T449 D450 T455 F456 K457	I345-M453 HydrophobicContact CG2-CG 4.45Å; P346-M453 HydrophobicContact CB-CG 4.46Å; P346-M453 WeakPolarHBondContact O-CE 3.29Å; F426-M453 HydrophobicContact CE2-CB 3.66Å; F426-M453 WeakPolarHBondContact CE2-O 3.4Å; F426-M453 HydrophobicContact CZ-CB 3.98Å; R430-M453 HydrophobicContact CB-SD 4.28Å; R430-M453 HydrophobicContact CG-CE 4.49Å; R430-M453 HydrophobicContact CG-SD 3.38Å; R430-M453 WeakPolarHBondContact CG-SD 3.28Å; N433-M453 HydrophobicContact CB-CE 3.4Å; N433-M453 VanDerWaalsContact CB-CE 3.4Å; I448-M453 HydrophobicContact CG2-CE 3.45Å; I448-M453 VanDerWaalsContact CG2-CE 3.45Å; I448-M453 HydrophobicContact CG2-CG 4Å; T449-M453 PolarHBondContact O-N 3.41Å; T449-M453 VanDerWaalsContact O-N 3.16Å; D450-M453 PolarHBondContact O-N 2.48Å; M453-T455 VanDerWaalsContact C-N 3.29Å; M453-T455 PolarHBondContact O-N 3.22Å; M453-F456 WeakPolarHBondContact O-CB 3.31Å; M453-F456 PolarHBondContact O-N 3.34Å; M453-K457 PolarHBondContact O-N 3.43Å
454	N	92.2	Very high	85.8	Confident	83 Å²	83	67 Å²	67	44%	0.444	37%	0.369	S	S	.	.	H	α-helix	trans	-62.6	-36.3	177.9	-76.6	-37.4	0	0	0	112.3	F426 D450 V451 K457 A458	F426-N454 WeakPolarHBondContact CZ-OD1 3.45Å; D450-N454 VanDerWaalsContact O-CB 3.3Å; D450-N454 WeakPolarHBondContact O-CB 3.41Å; D450-N454 VanDerWaalsContact O-CG 3.23Å; D450-N454 PolarHBondContact O-N 2.91Å; D450-N454 PolarHBondContact O-ND2 3.11Å; V451-N454 PolarHBondContact O-N 3.43Å; N454-K457 PolarHBondContact O-N 2.88Å; N454-A458 PolarHBondContact O-N 3.32Å
455	T	93.1	Very high	87.9	Confident	58 Å²	58	69 Å²	69	36%	0.356	37%	0.371	S	S	.	.	H	α-helix	trans	-62.9	-43.1	175.1	-57.7	0	0	0	0	111.1	V451 V452 M453 A458 R459	V451-T455 WeakPolarHBondContact O-CB 3.22Å; V451-T455 PolarHBondContact O-N 3.11Å; V451-T455 PolarHBondContact O-OG1 3.05Å; V452-T455 PolarHBondContact O-N 2.62Å; M453-T455 VanDerWaalsContact C-N 3.29Å; M453-T455 PolarHBondContact O-N 3.22Å; T455-A458 PolarHBondContact O-N 2.96Å; T455-R459 WeakPolarHBondContact O-CG 3.35Å; T455-R459 PolarHBondContact O-N 3.16Å
456	F	93.9	Very high	89.7	Confident	12 Å²	12	75.7 Å²	75.7	5%	0.053	41%	0.408	C	S	.	.	H	α-helix	trans	-57.9	-51	171.9	177	-84.2	0	0	0	111	G344 I345 T396 A398 V452 M453 A458 R459 Y460	G344-F456 VanDerWaalsContact C-CE2 3.49Å; G344-F456 WeakPolarHBondContact O-CE2 3.36Å; I345-F456 HydrophobicContact CB-CD1 4.04Å; I345-F456 HydrophobicContact CB-CE1 4.09Å; I345-F456 HydrophobicContact CD1-CE1 4.49Å; I345-F456 HydrophobicContact CG1-CD1 3.57Å; I345-F456 HydrophobicContact CG1-CE1 3.33Å; I345-F456 HydrophobicContact CG1-CZ 4.15Å; I345-F456 HydrophobicContact CG2-CD1 4.2Å; T396-F456 HydrophobicContact CG2-CD2 4.23Å; T396-F456 WeakPolarHBondContact O-CE2 3.44Å; A398-F456 HydrophobicContact CB-CD2 3.53Å; A398-F456 HydrophobicContact CB-CE2 3.48Å; A398-F456 VanDerWaalsContact CB-CE2 3.48Å; A398-F456 HydrophobicContact CB-CG 4.33Å; A398-F456 HydrophobicContact CB-CZ 4.23Å; V452-F456 PolarHBondContact O-N 3.38Å; V452-F456 VanDerWaalsContact O-N 3.11Å; M453-F456 WeakPolarHBondContact O-CB 3.31Å; M453-F456 PolarHBondContact O-N 3.34Å; F456-A458 PolarHBondContact O-N 2.89Å; F456-R459 PolarHBondContact O-N 3.09Å; F456-Y460 AromaticContact CE1-CD2 3.57Å; F456-Y460 HydrophobicContact CE1-CD2 3.57Å; F456-Y460 HydrophobicContact CE1-CE2 4.36Å; F456-Y460 HydrophobicContact CE1-CG 4.01Å; F456-Y460 HydrophobicContact CE2-CD2 4.41Å; F456-Y460 AromaticContact CZ-CD2 3.42Å; F456-Y460 HydrophobicContact CZ-CD2 3.42Å; F456-Y460 VanDerWaalsContact CZ-CD2 3.42Å; F456-Y460 HydrophobicContact CZ-CE2 4.04Å; F456-Y460 HydrophobicContact CZ-CG 4.28Å; F456-Y460 PolarHBondContact O-N 2.73Å
457	K	93.4	Very high	91.7	Very high	115 Å²	115	73.9 Å²	73.9	50%	0.5	39%	0.391	S	S	.	.	H	α-helix	trans	-56.2	-38.5	-177.8	-174.6	176.3	-177.4	170.6	0	112.3	F426 M453 N454	F426-K457 HydrophobicContact CD1-CD 4.34Å; F426-K457 HydrophobicContact CD2-CB 4.06Å; F426-K457 HydrophobicContact CD2-CD 3.86Å; F426-K457 HydrophobicContact CD2-CG 4.35Å; F426-K457 HydrophobicContact CE1-CD 4.47Å; F426-K457 HydrophobicContact CE2-CB 3.97Å; F426-K457 HydrophobicContact CE2-CD 4.02Å; F426-K457 HydrophobicContact CG-CD 4.03Å; F426-K457 HydrophobicContact CZ-CD 4.34Å; M453-K457 PolarHBondContact O-N 3.43Å; N454-K457 PolarHBondContact O-N 2.88Å
458	A	95.2	Very high	93.4	Very high	90 Å²	90	70.1 Å²	70.1	74%	0.744	38%	0.382	S	S	*	.	H	α-helix	trans	-72.6	-26.8	178.8	0	0	0	0	0	114	N454 T455 F456	N454-A458 PolarHBondContact O-N 3.32Å; T455-A458 PolarHBondContact O-N 2.96Å; F456-A458 PolarHBondContact O-N 2.89Å
459	R	95.8	Very high	94.3	Very high	151 Å²	151	69.3 Å²	69.3	57%	0.57	38%	0.377	S	S	*	.	H	α-helix	trans	-96.3	-13.6	-178.9	-67.4	-177.5	-175.6	-177.6	1.7	113.8	A398 T455 F456 E461	A398-R459 HydrophobicContact CB-CB 4.14Å; T455-R459 WeakPolarHBondContact O-CG 3.35Å; T455-R459 PolarHBondContact O-N 3.16Å; F456-R459 PolarHBondContact O-N 3.09Å; R459-E461 PolarHBondContact O-N 2.61Å
460	Y	97.1	Very high	95	Very high	73 Å²	73	69.3 Å²	69.3	29%	0.286	38%	0.38	S	S	.	.			trans	-62.3	122.9	-171.1	-179.5	-102	0	0	0	111.8	V343 A398 F456 E462	V343-Y460 HydrophobicContact CG1-CE2 3.94Å; A398-Y460 WeakPolarHBondContact O-CA 3.42Å; F456-Y460 AromaticContact CE1-CD2 3.57Å; F456-Y460 HydrophobicContact CE1-CD2 3.57Å; F456-Y460 HydrophobicContact CE1-CE2 4.36Å; F456-Y460 HydrophobicContact CE1-CG 4.01Å; F456-Y460 HydrophobicContact CE2-CD2 4.41Å; F456-Y460 AromaticContact CZ-CD2 3.42Å; F456-Y460 HydrophobicContact CZ-CD2 3.42Å; F456-Y460 VanDerWaalsContact CZ-CD2 3.42Å; F456-Y460 HydrophobicContact CZ-CE2 4.04Å; F456-Y460 HydrophobicContact CZ-CG 4.28Å; F456-Y460 PolarHBondContact O-N 2.73Å; Y460-E462 HydrophobicContact CE1-CB 4.47Å; Y460-E462 VanDerWaalsContact CE1-OE2 3.27Å; Y460-E462 WeakPolarHBondContact CE1-OE2 3.37Å; Y460-E462 VanDerWaalsContact CZ-OE2 3.3Å; Y460-E462 PolarHBondContact OH-OE2 3.02Å
461	E	97.9	Very high	95.6	Very high	74 Å²	74	67.6 Å²	67.6	35%	0.346	37%	0.373	S	S	.	.			trans	-119.4	123.3	170.1	-65.2	179.6	-91.8	0	0	108.5	A398 D399 K400 R403 R459 P463	A398-E461 PolarHBondContact O-N 2.87Å; D399-E461 WeakPolarHBondContact CB-OE1 3.37Å; K400-E461 VanDerWaalsContact CD-OE2 3.27Å; K400-E461 WeakPolarHBondContact CD-OE2 3.27Å; K400-E461 WeakPolarHBondContact CE-OE2 3.35Å; K400-E461 HydrophobicContact CG-CB 4.18Å; K400-E461 WeakPolarHBondContact CG-OE2 3.02Å; K400-E461 PolarHBondContact N-OE1 3.27Å; K400-E461 IonicContact NZ-OE2 3Å; R403-E461 PolarHBondContact NH1-O 3.4Å; R403-E461 PolarHBondContact NH2-O 2.92Å; R459-E461 PolarHBondContact O-N 2.61Å; E461-P463 WeakPolarHBondContact O-CD 3.38Å
462	E	97.6	Very high	96.1	Very high	79 Å²	79	65 Å²	65	37%	0.369	36%	0.355	S	S	.	.			trans	-55.1	125.2	178.9	-170	67.9	-161.8	0	0	110.7	Y460 R474	Y460-E462 HydrophobicContact CE1-CB 4.47Å; Y460-E462 VanDerWaalsContact CE1-OE2 3.27Å; Y460-E462 WeakPolarHBondContact CE1-OE2 3.37Å; Y460-E462 VanDerWaalsContact CZ-OE2 3.3Å; Y460-E462 PolarHBondContact OH-OE2 3.02Å; E462-R474 IonicContact OE1-CZ 3.52Å; E462-R474 IonicContact OE1-NH1 3.58Å; E462-R474 IonicContact OE1-NH2 3.86Å; E462-R474 PolarHBondContact OE1-NH2 3.04Å
463	P	98.2	Very high	96.5	Very high	9 Å²	9	62.1 Å²	62.1	6%	0.058	34%	0.338	C	S	.	.			trans	-60.8	141.3	178.1	-26.7	37.1	0	0	0	112.9	V343 V421 E461 E467 F469 I472	V343-P463 HydrophobicContact CB-CG 4.4Å; V343-P463 HydrophobicContact CG1-CG 4.11Å; V343-P463 HydrophobicContact CG2-CG 4.13Å; V421-P463 HydrophobicContact CG2-CB 4.39Å; V421-P463 HydrophobicContact CG2-CG 3.8Å; E461-P463 WeakPolarHBondContact O-CD 3.38Å; P463-E467 VanDerWaalsContact CA-OE1 3.27Å; P463-E467 WeakPolarHBondContact CA-OE1 3.36Å; P463-F469 HydrophobicContact CB-CE2 4.27Å; P463-I472 HydrophobicContact CB-CD1 4.17Å
464	T	98.4	Very high	96.8	Very high	54 Å²	54	66.5 Å²	66.5	33%	0.331	36%	0.355	S	S	.	.			trans	-131.1	151.5	177.9	65	0	0	0	0	112	N466 E467	T464-N466 PolarHBondContact O-N 3.36Å; T464-E467 PolarHBondContact N-OE1 3.08Å; T464-E467 WeakPolarHBondContact O-CB 3.36Å; T464-E467 PolarHBondContact O-N 2.87Å; T464-E467 VanDerWaalsContact O-N 3.07Å
465	L	98.2	Very high	97.1	Very high	102 Å²	102	62.6 Å²	62.6	53%	0.534	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-59.7	-29.8	178.4	-65.9	175.2	0	0	0	112.2	E467 G468 I472	L465-E467 PolarHBondContact O-N 2.84Å; L465-E467 VanDerWaalsContact O-N 3.09Å; L465-G468 PolarHBondContact O-N 3.25Å; L465-I472 HydrophobicContact CD2-CD1 4.04Å; L465-I472 HydrophobicContact CD2-CG1 3.94Å; L465-I472 HydrophobicContact CG-CD1 4.25Å
466	N	97.8	Very high	97.2	Very high	162 Å²	162	60 Å²	60	87%	0.866	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-62.2	-15.9	177.3	-67.7	-12.9	0	0	0	113.8	T464 G468	T464-N466 PolarHBondContact O-N 3.36Å; N466-G468 PolarHBondContact O-N 2.86Å
467	E	98.2	Very high	97.2	Very high	36 Å²	36	60.7 Å²	60.7	17%	0.168	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-70.5	-19	172.4	-65.5	176.2	-127.5	0	0	112.5	K400 R403 I407 P463 T464 L465 F469	K400-E467 HydrophobicContact CG-CG 4.43Å; R403-E467 IonicContact CZ-OE1 2.89Å; R403-E467 IonicContact CZ-OE2 2.95Å; R403-E467 IonicContact NE-OE1 3.53Å; R403-E467 IonicContact NE-OE2 2.83Å; R403-E467 PolarHBondContact NE-OE2 3.21Å; R403-E467 IonicContact NH2-OE1 3.83Å; R403-E467 PolarHBondContact NH2-OE1 3.37Å; R403-E467 IonicContact NH2-OE2 3.94Å; R403-E467 PolarHBondContact NH2-OE2 2.89Å; R403-E467 VanDerWaalsContact NH2-OE2 3.12Å; I407-E467 HydrophobicContact CD1-CB 3.73Å; I407-E467 WeakPolarHBondContact CD1-O 3.42Å; P463-E467 VanDerWaalsContact CA-OE1 3.27Å; P463-E467 WeakPolarHBondContact CA-OE1 3.36Å; T464-E467 PolarHBondContact N-OE1 3.08Å; T464-E467 WeakPolarHBondContact O-CB 3.36Å; T464-E467 PolarHBondContact O-N 2.87Å; T464-E467 VanDerWaalsContact O-N 3.07Å; L465-E467 PolarHBondContact O-N 2.84Å; L465-E467 VanDerWaalsContact O-N 3.09Å; E467-F469 HydrophobicContact CB-CD2 4.12Å; E467-F469 HydrophobicContact CB-CE2 4.15Å
468	G	97.9	Very high	97.2	Very high	46 Å²	46	56.2 Å²	56.2	47%	0.474	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	110.2	15.1	-177.9	0	0	0	0	0	114.5	L465 N466	L465-G468 PolarHBondContact O-N 3.25Å; N466-G468 PolarHBondContact O-N 2.86Å
469	F	98.4	Very high	97	Very high	10 Å²	10	53 Å²	53	4%	0.044	27%	0.274	C	S	.	.			trans	-75.3	137.5	172.2	-67	-63.2	0	0	0	111.2	V341 R403 I407 C417 C419 P463 E467 I472	V341-F469 HydrophobicContact CB-CE1 4.01Å; V341-F469 HydrophobicContact CB-CZ 4.37Å; V341-F469 HydrophobicContact CG2-CE1 3.94Å; R403-F469 HydrophobicContact CB-CZ 4.06Å; R403-F469 HydrophobicContact CG-CZ 4.35Å; I407-F469 HydrophobicContact CD1-CD1 4.19Å; I407-F469 HydrophobicContact CD1-CD2 4.15Å; I407-F469 HydrophobicContact CD1-CE1 3.8Å; I407-F469 HydrophobicContact CD1-CE2 3.75Å; I407-F469 HydrophobicContact CD1-CG 4.36Å; I407-F469 HydrophobicContact CD1-CZ 3.57Å; I407-F469 HydrophobicContact CG1-CD1 4.13Å; I407-F469 HydrophobicContact CG1-CE1 3.69Å; I407-F469 HydrophobicContact CG1-CZ 3.94Å; C417-F469 HydrophobicContact CB-CD1 4.42Å; C417-F469 CarbonylContact O-C 3.5Å; C417-F469 WeakPolarHBondContact O-CA 3.48Å; C419-F469 HydrophobicContact CB-CD1 3.71Å; C419-F469 HydrophobicContact CB-CD2 3.89Å; C419-F469 HydrophobicContact CB-CE1 3.74Å; C419-F469 HydrophobicContact CB-CE2 3.91Å; C419-F469 HydrophobicContact CB-CG 3.79Å; C419-F469 HydrophobicContact CB-CZ 3.82Å; P463-F469 HydrophobicContact CB-CE2 4.27Å; E467-F469 HydrophobicContact CB-CD2 4.12Å; E467-F469 HydrophobicContact CB-CE2 4.15Å; F469-I472 HydrophobicContact CB-CG1 4.11Å; F469-I472 HydrophobicContact CD2-CD1 4.29Å; F469-I472 HydrophobicContact CD2-CG1 4.31Å; F469-I472 HydrophobicContact CG-CG1 4.45Å
470	S	97.6	Very high	96.6	Very high	60 Å²	60	50.4 Å²	50.4	42%	0.42	27%	0.271	S	S	.	.	S	Bend	trans	-73.4	-30.9	173.4	58.3	0	0	0	0	112.3	C417 R418	C417-S470 PolarHBondContact O-N 2.76Å; C417-S470 PolarHBondContact O-OG 2.99Å; R418-S470 VanDerWaalsContact CG-OG 3.32Å; R418-S470 WeakPolarHBondContact CG-OG 3.46Å
471	S	97.8	Very high	96.2	Very high	36 Å²	36	48.6 Å²	48.6	25%	0.252	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	157.5	167.3	68	0	0	0	0	112.4	R418 C419	R418-S471 WeakPolarHBondContact CA-O 3.28Å; R418-S471 WeakPolarHBondContact CD-OG 3.35Å; R418-S471 WeakPolarHBondContact CG-OG 3.26Å; C419-S471 PolarHBondContact N-O 3.19Å
472	I	98.4	Very high	95.7	Very high	48 Å²	48	51.2 Å²	51.2	25%	0.246	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	124	174.9	-57.2	170.7	0	0	0	107.5	C419 V421 P463 L465 F469	C419-I472 HydrophobicContact CB-CB 4.46Å; C419-I472 HydrophobicContact CB-CG1 3.97Å; C419-I472 HydrophobicContact CB-CG2 4.33Å; C419-I472 WeakPolarHBondContact O-CA 3.46Å; V421-I472 HydrophobicContact CG2-CG2 3.99Å; P463-I472 HydrophobicContact CB-CD1 4.17Å; L465-I472 HydrophobicContact CD2-CD1 4.04Å; L465-I472 HydrophobicContact CD2-CG1 3.94Å; L465-I472 HydrophobicContact CG-CD1 4.25Å; F469-I472 HydrophobicContact CB-CG1 4.11Å; F469-I472 HydrophobicContact CD2-CD1 4.29Å; F469-I472 HydrophobicContact CD2-CG1 4.31Å; F469-I472 HydrophobicContact CG-CG1 4.45Å
473	V	98.2	Very high	95.3	Very high	6 Å²	6	51.2 Å²	51.2	4%	0.036	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	156.1	176.3	-60.1	0	0	0	0	109.4	L325 E326 C419 F420 V421	L325-V473 HydrophobicContact CD1-CG2 4.37Å; L325-V473 HydrophobicContact CD2-CG2 4.08Å; E326-V473 WeakPolarHBondContact O-CA 3.38Å; E326-V473 WeakPolarHBondContact O-CB 3.3Å; C419-V473 PolarHBondContact O-N 3.22Å; F420-V473 HydrophobicContact CB-CG2 4.39Å; F420-V473 HydrophobicContact CD1-CG2 3.33Å; F420-V473 HydrophobicContact CD2-CG2 4.17Å; F420-V473 HydrophobicContact CE1-CG2 3.5Å; F420-V473 VanDerWaalsContact CE1-CG2 3.5Å; F420-V473 HydrophobicContact CE2-CG2 4.31Å; F420-V473 HydrophobicContact CG-CG2 3.69Å; F420-V473 HydrophobicContact CZ-CG2 4Å; V421-V473 PolarHBondContact N-O 2.87Å
474	R	98	Very high	95	Very high	93 Å²	93	57.4 Å²	57.4	35%	0.351	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	128.2	170.1	-52.3	-176.4	170.3	-81	-8.7	110.3	L325 E326 V421 N423 E462	L325-R474 CarbonylContact C-O 3.32Å; L325-R474 WeakPolarHBondContact CA-O 3.46Å; E326-R474 HydrophobicContact CB-CB 4.08Å; E326-R474 PolarHBondContact N-O 3.19Å; E326-R474 PolarHBondContact O-N 3.02Å; V421-R474 CarbonylContact O-C 3.49Å; V421-R474 WeakPolarHBondContact O-CA 3.26Å; N423-R474 HydrophobicContact CB-CB 4.03Å; E462-R474 IonicContact OE1-CZ 3.52Å; E462-R474 IonicContact OE1-NH1 3.58Å; E462-R474 IonicContact OE1-NH2 3.86Å; E462-R474 PolarHBondContact OE1-NH2 3.04Å
475	A	97.4	Very high	94.7	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	111.5	175.4	0	0	0	0	0	110	L325 F353 V421 M422 N423	L325-A475 HydrophobicContact CD2-CB 4.05Å; F353-A475 HydrophobicContact CD2-CB 3.97Å; F353-A475 HydrophobicContact CE2-CB 3.57Å; F353-A475 HydrophobicContact CZ-CB 4.01Å; V421-A475 PolarHBondContact O-N 2.93Å; M422-A475 HydrophobicContact CE-CB 4.11Å; M422-A475 HydrophobicContact SD-CB 3.83Å; N423-A475 WeakPolarHBondContact CB-O 3.34Å; N423-A475 PolarHBondContact N-O 3Å
476	N	96.1	Very high	94.4	Very high	3 Å²	3	55.2 Å²	55.2	2%	0.016	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	150.5	-178.6	-73.2	-34.6	0	0	0	112.2	R319 E323 L324 E326 N423 L478	R319-N476 PolarHBondContact NH1-ND2 2.8Å; R319-N476 PolarHBondContact NH1-OD1 3.38Å; E323-N476 WeakPolarHBondContact O-CB 3.23Å; E323-N476 PolarHBondContact O-ND2 2.83Å; L324-N476 PolarHBondContact O-N 2.86Å; E326-N476 VanDerWaalsContact CG-ND2 3.32Å; E326-N476 WeakPolarHBondContact CG-ND2 3.36Å; E326-N476 PolarHBondContact OE1-ND2 2.8Å; N423-N476 PolarHBondContact ND2-OD1 3.1Å; N476-L478 HydrophobicContact CB-CD1 3.76Å; N476-L478 PolarHBondContact O-N 3.26Å
477	F	94	Very high	94.2	Very high	28 Å²	28	50.3 Å²	50.3	12%	0.123	26%	0.264	C	S	.	.			trans	-79.5	106	174.7	-176.4	-93.3	0	0	0	110.2	L316 V424 H428 P479 Y490	L316-F477 HydrophobicContact CD1-CD1 4.4Å; V424-F477 HydrophobicContact CG2-CB 3.74Å; V424-F477 HydrophobicContact CG2-CD2 3.94Å; V424-F477 HydrophobicContact CG2-CG 4.21Å; H428-F477 AromaticContact CE1-CD1 3.39Å; H428-F477 WeakPolarHBondContact CE1-CD1 3.2Å; H428-F477 AromaticContact CE1-CE1 3.92Å; H428-F477 AromaticContact CE1-CG 3.47Å; H428-F477 VanDerWaalsContact CE1-CG 3.47Å; H428-F477 WeakPolarHBondContact CE1-CG 3.4Å; H428-F477 AromaticContact NE2-CD1 3.55Å; H428-F477 AromaticContact NE2-CE1 3.57Å; H428-F477 AromaticContact NE2-CG 3.85Å; H428-F477 AromaticContact NE2-CZ 3.92Å; F477-P479 HydrophobicContact CE1-CB 3.73Å; F477-P479 HydrophobicContact CE1-CG 4.1Å; F477-P479 HydrophobicContact CZ-CB 4.28Å; F477-Y490 HydrophobicContact CE1-CE1 4.22Å; F477-Y490 AromaticContact CE1-CZ 3.93Å; F477-Y490 WeakPolarHBondContact CE1-OH 3.33Å; F477-Y490 HydrophobicContact CZ-CE1 4.46Å; F477-Y490 HydrophobicContact CZ-CE2 4.29Å; F477-Y490 AromaticContact CZ-CZ 3.72Å; F477-Y490 WeakPolarHBondContact CZ-OH 3.14Å
478	L	93.1	Very high	93.9	Very high	21 Å²	21	52.6 Å²	52.6	11%	0.11	27%	0.274	C	S	.	.			trans	-106.4	103.4	172.2	-82.4	64.4	0	0	0	108.1	R319 I321 L324 N476	R319-L478 HydrophobicContact CB-CD1 4.13Å; R319-L478 HydrophobicContact CB-CG 4.38Å; I321-L478 HydrophobicContact CD1-CD2 4.1Å; L324-L478 HydrophobicContact CD1-CD1 4.29Å; L324-L478 HydrophobicContact CD1-CD2 4.07Å; N476-L478 HydrophobicContact CB-CD1 3.76Å; N476-L478 PolarHBondContact O-N 3.26Å
479	P	90	Very high	93.7	Very high	23 Å²	23	50.8 Å²	50.8	15%	0.149	25%	0.254	C	S	.	.			trans	-67.6	147.6	176.7	27.7	-31.9	0	0	0	110.9	L316 I318 F477 F481	L316-P479 HydrophobicContact CD2-CG 4.14Å; I318-P479 HydrophobicContact CG1-CG 4.37Å; F477-P479 HydrophobicContact CE1-CB 3.73Å; F477-P479 HydrophobicContact CE1-CG 4.1Å; F477-P479 HydrophobicContact CZ-CB 4.28Å; P479-F481 HydrophobicContact CB-CD2 4.23Å; P479-F481 HydrophobicContact CB-CE1 4.12Å; P479-F481 HydrophobicContact CB-CE2 3.49Å; P479-F481 VanDerWaalsContact CB-CE2 3.49Å; P479-F481 HydrophobicContact CB-CZ 3.42Å; P479-F481 VanDerWaalsContact CB-CZ 3.42Å; P479-F481 HydrophobicContact CG-CE2 3.92Å; P479-F481 HydrophobicContact CG-CZ 4.18Å
480	D	88	Confident	93.6	Very high	96 Å²	96	50.4 Å²	50.4	51%	0.513	25%	0.252	S	S	.	.			trans	-133.9	117.7	171	-169.1	15.3	0	0	0	106.7	Y352 K356	Y352-D480 HydrophobicContact CE1-CB 4.49Å; Y352-D480 WeakPolarHBondContact OH-CB 3.35Å; Y352-D480 VanDerWaalsContact OH-CG 3.29Å; Y352-D480 PolarHBondContact OH-OD2 3.22Å; K356-D480 VanDerWaalsContact NZ-CG 3.25Å; K356-D480 IonicContact NZ-OD2 3.58Å; K356-D480 PolarHBondContact NZ-OD2 2.9Å
481	F	89.5	Confident	93.5	Very high	34 Å²	34	50.2 Å²	50.2	15%	0.149	24%	0.244	C	C	.	.			trans	-114.8	133.6	-173.4	-59	-64.9	0	0	0	108.9	P479 D483 H486 Q487 Y490	P479-F481 HydrophobicContact CB-CD2 4.23Å; P479-F481 HydrophobicContact CB-CE1 4.12Å; P479-F481 HydrophobicContact CB-CE2 3.49Å; P479-F481 VanDerWaalsContact CB-CE2 3.49Å; P479-F481 HydrophobicContact CB-CZ 3.42Å; P479-F481 VanDerWaalsContact CB-CZ 3.42Å; P479-F481 HydrophobicContact CG-CE2 3.92Å; P479-F481 HydrophobicContact CG-CZ 4.18Å; F481-D483 PolarHBondContact O-N 3.05Å; F481-H486 HydrophobicContact CB-CB 4.14Å; F481-H486 HydrophobicContact CD1-CB 4.4Å; F481-Q487 HydrophobicContact CB-CB 4.21Å; F481-Q487 HydrophobicContact CD2-CB 3.51Å; F481-Q487 HydrophobicContact CD2-CG 3.71Å; F481-Q487 HydrophobicContact CE2-CB 3.97Å; F481-Q487 HydrophobicContact CE2-CG 3.76Å; F481-Q487 HydrophobicContact CG-CB 3.89Å; F481-Y490 VanDerWaalsContact CE1-CB 3.45Å; F481-Y490 HydrophobicContact CE1-CD1 4.3Å; F481-Y490 AromaticContact CE1-CD2 3.52Å; F481-Y490 HydrophobicContact CE1-CD2 3.52Å; F481-Y490 HydrophobicContact CE1-CE2 4.35Å; F481-Y490 AromaticContact CE1-CG 3.49Å; F481-Y490 HydrophobicContact CE1-CG 3.49Å; F481-Y490 VanDerWaalsContact CE1-CG 3.49Å; F481-Y490 AromaticContact CZ-CD1 3.84Å; F481-Y490 HydrophobicContact CZ-CD1 3.84Å; F481-Y490 AromaticContact CZ-CD2 3.92Å; F481-Y490 HydrophobicContact CZ-CD2 3.92Å; F481-Y490 AromaticContact CZ-CG 3.48Å; F481-Y490 HydrophobicContact CZ-CG 3.48Å; F481-Y490 VanDerWaalsContact CZ-CG 3.48Å
482	D	86.5	Confident	93.4	Very high	130 Å²	130	49.3 Å²	49.3	70%	0.695	24%	0.237	S	C	*	.	S	Bend	trans	-62.4	-31.3	-179.6	-51.3	-55.4	0	0	0	112.4	H486	D482-H486 IonicContact OD2-CE1 3.82Å; D482-H486 IonicContact OD2-ND1 3.97Å; D482-H486 PolarHBondContact OD2-ND1 3.35Å
483	D	89.6	Confident	93.3	Very high	78 Å²	78	47.7 Å²	47.7	42%	0.417	23%	0.227	S	C	.	.	S	Bend	trans	-151.6	174.5	177.2	67	44.4	0	0	0	112.8	F481 R485 H486 Q487	F481-D483 PolarHBondContact O-N 3.05Å; D483-R485 VanDerWaalsContact C-N 3.28Å; D483-R485 PolarHBondContact O-N 3.2Å; D483-R485 VanDerWaalsContact OD1-CA 3.29Å; D483-R485 WeakPolarHBondContact OD1-CA 3.36Å; D483-R485 VanDerWaalsContact OD1-CB 3.23Å; D483-R485 WeakPolarHBondContact OD1-CB 3.5Å; D483-R485 PolarHBondContact OD1-N 3.2Å; D483-H486 WeakPolarHBondContact O-CB 3.18Å; D483-H486 PolarHBondContact O-N 3.45Å; D483-H486 IonicContact OD1-CD2 3.25Å; D483-H486 IonicContact OD1-CG 2.87Å; D483-H486 PolarHBondContact OD1-N 3.06Å; D483-H486 IonicContact OD2-CD2 3.48Å; D483-H486 IonicContact OD2-NE2 3.62Å; D483-Q487 PolarHBondContact O-N 2.97Å
484	Q	92.2	Very high	93.2	Very high	139 Å²	139	47.5 Å²	47.5	65%	0.65	23%	0.226	S	C	*	.	H	α-helix	trans	-64.7	-30.6	179.4	-169.2	-179.2	24	0	0	112.9	Q487 Q488	Q484-Q487 WeakPolarHBondContact O-CB 3.46Å; Q484-Q487 PolarHBondContact O-N 3.07Å; Q484-Q488 VanDerWaalsContact O-CG 3.26Å; Q484-Q488 WeakPolarHBondContact O-CG 3.35Å; Q484-Q488 PolarHBondContact O-N 2.7Å
485	R	90.7	Very high	93	Very high	75 Å²	75	45 Å²	45	28%	0.283	22%	0.22	S	C	.	.	H	α-helix	trans	-70	-40.8	-179.9	172.7	58.9	178.4	154.6	1.6	110.5	E240 D483 Q487 Q488 I489	E240-R485 IonicContact OE1-CZ 3.76Å; E240-R485 IonicContact OE1-NH1 3.07Å; E240-R485 PolarHBondContact OE1-NH1 3Å; E240-R485 IonicContact OE1-NH2 3.27Å; E240-R485 PolarHBondContact OE1-NH2 3.44Å; E240-R485 IonicContact OE2-CZ 3.24Å; E240-R485 IonicContact OE2-NH2 3.23Å; E240-R485 PolarHBondContact OE2-NH2 2.72Å; D483-R485 VanDerWaalsContact C-N 3.28Å; D483-R485 PolarHBondContact O-N 3.2Å; D483-R485 VanDerWaalsContact OD1-CA 3.29Å; D483-R485 WeakPolarHBondContact OD1-CA 3.36Å; D483-R485 VanDerWaalsContact OD1-CB 3.23Å; D483-R485 WeakPolarHBondContact OD1-CB 3.5Å; D483-R485 PolarHBondContact OD1-N 3.2Å; R485-Q487 VanDerWaalsContact C-N 3.33Å; R485-Q487 PolarHBondContact O-N 2.81Å; R485-Q488 PolarHBondContact O-N 2.89Å; R485-I489 HydrophobicContact CG-CD1 4.13Å; R485-I489 WeakPolarHBondContact O-CG1 3.16Å; R485-I489 PolarHBondContact O-N 2.94Å
486	H	92.2	Very high	92.4	Very high	36 Å²	36	47.7 Å²	47.7	17%	0.167	23%	0.232	C	C	.	.	H	α-helix	trans	-58.7	-45.3	172.9	-78.8	-165.1	0	0	0	111.1	Y435 I439 F481 D482 D483 I489 Y490	Y435-H486 WeakPolarHBondContact CE2-O 3.45Å; Y435-H486 WeakPolarHBondContact OH-CB 3.34Å; I439-H486 WeakPolarHBondContact CG2-CE1 3.44Å; F481-H486 HydrophobicContact CB-CB 4.14Å; F481-H486 HydrophobicContact CD1-CB 4.4Å; D482-H486 IonicContact OD2-CE1 3.82Å; D482-H486 IonicContact OD2-ND1 3.97Å; D482-H486 PolarHBondContact OD2-ND1 3.35Å; D483-H486 WeakPolarHBondContact O-CB 3.18Å; D483-H486 PolarHBondContact O-N 3.45Å; D483-H486 IonicContact OD1-CD2 3.25Å; D483-H486 IonicContact OD1-CG 2.87Å; D483-H486 PolarHBondContact OD1-N 3.06Å; D483-H486 IonicContact OD2-CD2 3.48Å; D483-H486 IonicContact OD2-NE2 3.62Å; H486-I489 PolarHBondContact O-N 2.89Å; H486-Y490 PolarHBondContact O-N 3.28Å
487	Q	93.5	Very high	91.2	Very high	58 Å²	58	52.9 Å²	52.9	27%	0.271	26%	0.256	S	S	.	.	H	α-helix	trans	-59.5	-47.9	173.2	-177.9	179.1	8.8	0	0	112.1	F481 D483 Q484 R485 I489 Y490 Q491	F481-Q487 HydrophobicContact CB-CB 4.21Å; F481-Q487 HydrophobicContact CD2-CB 3.51Å; F481-Q487 HydrophobicContact CD2-CG 3.71Å; F481-Q487 HydrophobicContact CE2-CB 3.97Å; F481-Q487 HydrophobicContact CE2-CG 3.76Å; F481-Q487 HydrophobicContact CG-CB 3.89Å; D483-Q487 PolarHBondContact O-N 2.97Å; Q484-Q487 WeakPolarHBondContact O-CB 3.46Å; Q484-Q487 PolarHBondContact O-N 3.07Å; R485-Q487 VanDerWaalsContact C-N 3.33Å; R485-Q487 PolarHBondContact O-N 2.81Å; Q487-I489 PolarHBondContact O-N 3.11Å; Q487-Y490 WeakPolarHBondContact O-CB 3.47Å; Q487-Y490 PolarHBondContact O-N 2.86Å; Q487-Q491 WeakPolarHBondContact O-CG 3.49Å; Q487-Q491 PolarHBondContact O-N 3.23Å
488	Q	93	Very high	91.1	Very high	84 Å²	84	54.1 Å²	54.1	39%	0.393	26%	0.263	S	S	.	.	H	α-helix	trans	-59.7	-44.4	178.8	-73.8	169.2	-1.9	0	0	111.9	Q484 R485 Y490 Q491 M492	Q484-Q488 VanDerWaalsContact O-CG 3.26Å; Q484-Q488 WeakPolarHBondContact O-CG 3.35Å; Q484-Q488 PolarHBondContact O-N 2.7Å; R485-Q488 PolarHBondContact O-N 2.89Å; Q488-Y490 VanDerWaalsContact C-N 3.34Å; Q488-Q491 PolarHBondContact O-N 3.14Å; Q488-M492 WeakPolarHBondContact O-CG 3.4Å; Q488-M492 PolarHBondContact O-N 3.38Å
489	I	93.7	Very high	91	Very high	9 Å²	9	55.8 Å²	55.8	5%	0.046	27%	0.271	C	S	.	.	H	α-helix	trans	-61.9	-43.9	176	-68	168.2	0	0	0	110.2	F230 Y435 M438 I439 R485 H486 Q487 Q491 M492 L494	F230-I489 HydrophobicContact CE2-CD1 4.4Å; F230-I489 HydrophobicContact CE2-CG1 4.26Å; F230-I489 HydrophobicContact CE2-CG2 4.24Å; F230-I489 HydrophobicContact CZ-CG1 4.38Å; Y435-I489 HydrophobicContact CD2-CG2 4.19Å; Y435-I489 HydrophobicContact CE2-CG2 4.44Å; M438-I489 HydrophobicContact CE-CG2 4.21Å; I439-I489 HydrophobicContact CD1-CD1 3.67Å; I439-I489 HydrophobicContact CD1-CG2 4.28Å; R485-I489 HydrophobicContact CG-CD1 4.13Å; R485-I489 WeakPolarHBondContact O-CG1 3.16Å; R485-I489 PolarHBondContact O-N 2.94Å; H486-I489 PolarHBondContact O-N 2.89Å; Q487-I489 PolarHBondContact O-N 3.11Å; I489-Q491 PolarHBondContact O-N 2.82Å; I489-M492 WeakPolarHBondContact O-CB 3.46Å; I489-M492 PolarHBondContact O-N 3.39Å; I489-M492 VanDerWaalsContact O-N 3.13Å; I489-L494 HydrophobicContact CG2-CD2 4.32Å
490	Y	95.1	Very high	91	Very high	1 Å²	1	57.7 Å²	57.7	0%	0.004	28%	0.278	C	S	.	.	H	α-helix	trans	-61	-34.4	178.5	-161.8	-81.3	0	0	0	112.4	P313 L316 H428 H431 N432 Y435 F477 F481 H486 Q487 Q488 M492	P313-Y490 WeakPolarHBondContact CB-O 3.18Å; L316-Y490 HydrophobicContact CD2-CD1 3.7Å; L316-Y490 HydrophobicContact CD2-CE1 3.64Å; H428-Y490 PolarHBondContact CD2-OH 2.85Å; H428-Y490 PolarHBondContact NE2-OH 3.14Å; H428-Y490 VanDerWaalsContact NE2-OH 3.13Å; H431-Y490 AromaticContact CD2-CE1 3.7Å; H431-Y490 AromaticContact CD2-CZ 3.71Å; H431-Y490 PolarHBondContact CE1-O 3.3Å; H431-Y490 VanDerWaalsContact CE1-O 3.25Å; H431-Y490 AromaticContact NE2-CD1 3.75Å; H431-Y490 AromaticContact NE2-CE1 3.72Å; H431-Y490 PolarHBondContact NE2-O 2.92Å; N432-Y490 WeakPolarHBondContact OD1-CE2 3.35Å; N432-Y490 PolarHBondContact OD1-OH 3.14Å; Y435-Y490 AromaticContact CD1-CD2 3.6Å; Y435-Y490 HydrophobicContact CD1-CD2 3.6Å; Y435-Y490 AromaticContact CD1-CE2 3.86Å; Y435-Y490 HydrophobicContact CD1-CE2 3.86Å; Y435-Y490 AromaticContact CD2-CD2 3.57Å; Y435-Y490 HydrophobicContact CD2-CD2 3.57Å; Y435-Y490 HydrophobicContact CD2-CE2 4.5Å; Y435-Y490 HydrophobicContact CD2-CG 4.25Å; Y435-Y490 AromaticContact CE1-CD2 4Å; Y435-Y490 HydrophobicContact CE1-CD2 4Å; Y435-Y490 HydrophobicContact CE1-CE2 4.48Å; Y435-Y490 AromaticContact CE2-CD2 3.95Å; Y435-Y490 HydrophobicContact CE2-CD2 3.95Å; Y435-Y490 AromaticContact CG-CD2 3.37Å; Y435-Y490 HydrophobicContact CG-CD2 3.37Å; Y435-Y490 AromaticContact CG-CE2 3.88Å; Y435-Y490 HydrophobicContact CG-CE2 3.88Å; Y435-Y490 HydrophobicContact CG-CG 4.42Å; F477-Y490 HydrophobicContact CE1-CE1 4.22Å; F477-Y490 AromaticContact CE1-CZ 3.93Å; F477-Y490 WeakPolarHBondContact CE1-OH 3.33Å; F477-Y490 HydrophobicContact CZ-CE1 4.46Å; F477-Y490 HydrophobicContact CZ-CE2 4.29Å; F477-Y490 AromaticContact CZ-CZ 3.72Å; F477-Y490 WeakPolarHBondContact CZ-OH 3.14Å; F481-Y490 VanDerWaalsContact CE1-CB 3.45Å; F481-Y490 HydrophobicContact CE1-CD1 4.3Å; F481-Y490 AromaticContact CE1-CD2 3.52Å; F481-Y490 HydrophobicContact CE1-CD2 3.52Å; F481-Y490 HydrophobicContact CE1-CE2 4.35Å; F481-Y490 AromaticContact CE1-CG 3.49Å; F481-Y490 HydrophobicContact CE1-CG 3.49Å; F481-Y490 VanDerWaalsContact CE1-CG 3.49Å; F481-Y490 AromaticContact CZ-CD1 3.84Å; F481-Y490 HydrophobicContact CZ-CD1 3.84Å; F481-Y490 AromaticContact CZ-CD2 3.92Å; F481-Y490 HydrophobicContact CZ-CD2 3.92Å; F481-Y490 AromaticContact CZ-CG 3.48Å; F481-Y490 HydrophobicContact CZ-CG 3.48Å; F481-Y490 VanDerWaalsContact CZ-CG 3.48Å; H486-Y490 PolarHBondContact O-N 3.28Å; Q487-Y490 WeakPolarHBondContact O-CB 3.47Å; Q487-Y490 PolarHBondContact O-N 2.86Å; Q488-Y490 VanDerWaalsContact C-N 3.34Å; Y490-M492 VanDerWaalsContact C-N 3.27Å; Y490-M492 PolarHBondContact O-N 2.59Å
491	Q	95.6	Very high	91.2	Very high	56 Å²	56	55.4 Å²	55.4	26%	0.262	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-0.4	179.7	-70.1	175.9	-26.1	0	0	113.8	P313 K314 Q487 Q488 I489	P313-Q491 CarbonylContact C-O 3.45Å; K314-Q491 WeakPolarHBondContact CG-O 3.48Å; K314-Q491 PolarHBondContact N-O 2.73Å; Q487-Q491 WeakPolarHBondContact O-CG 3.49Å; Q487-Q491 PolarHBondContact O-N 3.23Å; Q488-Q491 PolarHBondContact O-N 3.14Å; I489-Q491 PolarHBondContact O-N 2.82Å
492	M	96.1	Very high	91.3	Very high	18 Å²	18	56.8 Å²	56.8	9%	0.089	27%	0.271	C	S	.	.	S	Bend	trans	-86.4	158.1	171.5	-67	172.6	-166	0	0	111.4	L236 N286 P313 H431 Q488 I489 Y490 L494	L236-M492 HydrophobicContact CB-SD 4.44Å; L236-M492 HydrophobicContact CD1-CE 3.69Å; L236-M492 HydrophobicContact CD1-SD 3.74Å; L236-M492 HydrophobicContact CG-CE 4.48Å; L236-M492 HydrophobicContact CG-SD 3.93Å; N286-M492 HydrophobicContact CB-CG 4.45Å; N286-M492 WeakPolarHBondContact OD1-CA 3.32Å; P313-M492 VanDerWaalsContact CG-C 3.48Å; P313-M492 WeakPolarHBondContact CG-O 3.43Å; H431-M492 PolarHBondContact CE1-O 3.02Å; Q488-M492 WeakPolarHBondContact O-CG 3.4Å; Q488-M492 PolarHBondContact O-N 3.38Å; I489-M492 WeakPolarHBondContact O-CB 3.46Å; I489-M492 PolarHBondContact O-N 3.39Å; I489-M492 VanDerWaalsContact O-N 3.13Å; Y490-M492 VanDerWaalsContact C-N 3.27Å; Y490-M492 PolarHBondContact O-N 2.59Å; M492-L494 HydrophobicContact CB-CD2 4.01Å; M492-L494 PolarHBondContact O-N 3.16Å
493	Y	97.7	Very high	91.6	Very high	13 Å²	13	51.9 Å²	51.9	5%	0.051	24%	0.243	C	C	.	.			trans	-70	124.3	163.2	-68.7	-86.3	0	0	0	110.1	P234 L282 L285 N286 M308 P309 N312 P313 K314	P234-Y493 WeakPolarHBondContact CG-O 3.48Å; L282-Y493 HydrophobicContact CB-CG 4.28Å; L282-Y493 HydrophobicContact CD1-CD1 4.15Å; L282-Y493 HydrophobicContact CD1-CG 4.24Å; L282-Y493 HydrophobicContact CD2-CD1 3.79Å; L282-Y493 HydrophobicContact CD2-CD2 3.85Å; L282-Y493 HydrophobicContact CD2-CE1 3.98Å; L282-Y493 HydrophobicContact CD2-CE2 4.07Å; L282-Y493 HydrophobicContact CD2-CG 3.7Å; L282-Y493 HydrophobicContact CG-CD1 4.48Å; L282-Y493 HydrophobicContact CG-CG 4.27Å; L285-Y493 HydrophobicContact CD2-CD2 4.05Å; L285-Y493 HydrophobicContact CD2-CE2 3.41Å; L285-Y493 VanDerWaalsContact CD2-CE2 3.41Å; L285-Y493 HydrophobicContact CG-CE2 4.25Å; N286-Y493 PolarHBondContact ND2-N 3.32Å; N286-Y493 PolarHBondContact ND2-O 3.5Å; N286-Y493 PolarHBondContact OD1-N 3.01Å; M308-Y493 HydrophobicContact CE-CE2 4.4Å; P309-Y493 HydrophobicContact CB-CD1 4.19Å; P309-Y493 HydrophobicContact CB-CE1 3.78Å; P309-Y493 HydrophobicContact CG-CD1 3.84Å; P309-Y493 HydrophobicContact CG-CE1 3.68Å; N312-Y493 PolarHBondContact OD1-OH 3.24Å; P313-Y493 VanDerWaalsContact CD-CE1 3.49Å; P313-Y493 HydrophobicContact CG-CD1 3.97Å; P313-Y493 HydrophobicContact CG-CD2 4.42Å; P313-Y493 HydrophobicContact CG-CE1 4.2Å; P313-Y493 HydrophobicContact CG-CG 4.1Å; K314-Y493 HydrophobicContact CD-CE2 4.29Å
494	L	95.4	Very high	91.8	Very high	2 Å²	2	50 Å²	50	1%	0.01	23%	0.23	C	C	.	.			trans	-111.1	-10.6	-173.7	-58.1	177.7	0	0	0	114.3	R235 H431 A434 M438 I489 M492	R235-L494 HydrophobicContact CG-CD2 4.21Å; R235-L494 PolarHBondContact NE-O 3.37Å; R235-L494 PolarHBondContact NH2-O 3.28Å; H431-L494 VanDerWaalsContact CE1-CD1 3.41Å; H431-L494 WeakPolarHBondContact CE1-CD1 3.03Å; A434-L494 HydrophobicContact CB-CB 4.22Å; M438-L494 HydrophobicContact CE-CB 4.09Å; M438-L494 HydrophobicContact CE-CD1 3.42Å; M438-L494 VanDerWaalsContact CE-CD1 3.42Å; M438-L494 HydrophobicContact CE-CD2 3.59Å; M438-L494 HydrophobicContact CE-CG 3.84Å; M438-L494 HydrophobicContact SD-CD2 4.49Å; I489-L494 HydrophobicContact CG2-CD2 4.32Å; M492-L494 HydrophobicContact CB-CD2 4.01Å; M492-L494 PolarHBondContact O-N 3.16Å
495	L	93.8	Very high	91.8	Very high	42 Å²	42	43.2 Å²	43.2	22%	0.22	20%	0.198	C	C	.	.	S	Bend	trans	-121	135	-173.6	-67.3	173.5	0	0	0	110.6	R430 A434	R430-L495 HydrophobicContact CB-CD1 3.71Å; A434-L495 HydrophobicContact CB-CD2 3.72Å; A434-L495 HydrophobicContact CB-CG 4.09Å
496	E	84	Confident	91.8	Very high	56 Å²	56	40.5 Å²	40.5	26%	0.262	19%	0.191	S	C	.	.			trans	-72.3	125.5	162.9	-53.4	177.7	167.1	0	0	107.2	N191 R232 K233 A279	N191-E496 PolarHBondContact ND2-OE1 3.47Å; R232-E496 IonicContact CZ-OE1 2.72Å; R232-E496 IonicContact CZ-OE2 3.89Å; R232-E496 VanDerWaalsContact NE-CD 3.31Å; R232-E496 IonicContact NE-OE1 2.62Å; R232-E496 PolarHBondContact NE-OE1 3.04Å; R232-E496 IonicContact NE-OE2 3.98Å; R232-E496 PolarHBondContact NE-OE2 2.73Å; R232-E496 IonicContact NH1-OE1 3Å; R232-E496 VanDerWaalsContact NH2-CD 3.25Å; R232-E496 IonicContact NH2-OE1 3.17Å; R232-E496 PolarHBondContact NH2-OE1 3.38Å; R232-E496 IonicContact NH2-OE2 2.78Å; R232-E496 PolarHBondContact NH2-OE2 2.59Å; K233-E496 VanDerWaalsContact O-CG 3.3Å; K233-E496 WeakPolarHBondContact O-CG 2.9Å; A279-E496 HydrophobicContact CB-CB 4.38Å; A279-E496 HydrophobicContact CB-CG 3.84Å
497	Q	72	Confident	91.8	Very high	111 Å²	111	40.9 Å²	40.9	52%	0.519	19%	0.193	S	C	.	.			trans	-93.3	0	-176.8	-83.2	-140.3	-11.6	0	0	114.4	S277 P309	S277-Q497 VanDerWaalsContact CA-O 3.32Å; S277-Q497 WeakPolarHBondContact CA-O 3.44Å; P309-Q497 VanDerWaalsContact CA-NE2 3.25Å; P309-Q497 VanDerWaalsContact CA-OE1 3.27Å; P309-Q497 VanDerWaalsContact CB-CD 3.46Å; P309-Q497 HydrophobicContact CB-CG 4.14Å; P309-Q497 HydrophobicContact CG-CG 3.84Å

Retrieved 497 of 497 residues in 361 ms (Link to these results)

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