A0A3Q0KSZ2_SCHMA Loading...

protein disulfide-isomerase

AlphaFold DB , UniProt , Accession A0A3Q0KSZ2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 417 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	46.3	Very low	49	Very low	239 Å²	239	180.3 Å²	180.3	100%	1.177	85%	0.85	S	S	*	*				0	103.6	0	-78.8	173	166.2	0	0	108.1	R3	M1-R3 PolarHBondContact O-N 3.13Å
2	Y	49.8	Very low	48.7	Very low	238 Å²	238	173.7 Å²	173.7	93%	0.933	84%	0.838	S	S	*	*			trans	-71.5	113.7	175.9	-84.8	-90.5	0	0	0	108.9	W4	Y2-W4 PolarHBondContact O-N 2.85Å
3	R	51.4	Low	48.3	Very low	243 Å²	243	167.9 Å²	167.9	92%	0.917	82%	0.823	S	S	*	*			trans	-73	101.9	174.2	-96.9	178.2	160.5	-178.7	-5.6	108.4	M1 T5	M1-R3 PolarHBondContact O-N 3.13Å; R3-T5 PolarHBondContact O-N 2.86Å
4	W	50.1	Low	48.6	Very low	238 Å²	238	162.4 Å²	162.4	90%	0.902	82%	0.818	S	S	*	*			trans	-69.1	106.1	161.7	-86.6	-0.5	0	0	0	108.9	Y2 V6	Y2-W4 PolarHBondContact O-N 2.85Å; W4-V6 PolarHBondContact O-N 3.16Å; W4-V6 VanDerWaalsContact O-N 3.15Å
5	T	54.1	Low	49.4	Very low	128 Å²	128	160.7 Å²	160.7	79%	0.785	81%	0.811	S	S	*	*			trans	-73.7	97.5	162.9	-37.8	0	0	0	0	106.8	R3 L7	R3-T5 PolarHBondContact O-N 2.86Å; T5-L7 PolarHBondContact O-N 2.89Å
6	V	48.7	Very low	51.1	Low	108 Å²	108	153.3 Å²	153.3	66%	0.655	78%	0.778	S	S	*	*			trans	-68.7	100	170.8	177.9	0	0	0	0	107.1	W4 F8	W4-V6 PolarHBondContact O-N 3.16Å; W4-V6 VanDerWaalsContact O-N 3.15Å; V6-F8 PolarHBondContact O-N 2.83Å; V6-F8 VanDerWaalsContact O-N 3.15Å
7	L	55.4	Low	53.1	Low	148 Å²	148	145.6 Å²	145.6	78%	0.775	74%	0.739	S	S	*	*			trans	-69.3	104.9	171.3	-149.5	87.1	0	0	0	107.1	T5 L9	T5-L7 PolarHBondContact O-N 2.89Å; L7-L9 PolarHBondContact O-N 3.17Å
8	F	49.2	Very low	55.2	Low	181 Å²	181	138.3 Å²	138.3	79%	0.794	70%	0.701	S	S	*	*			trans	-64.6	98.9	169.5	-99.5	-93	0	0	0	108.4	V6 L10	V6-F8 PolarHBondContact O-N 2.83Å; V6-F8 VanDerWaalsContact O-N 3.15Å; F8-L10 PolarHBondContact O-N 3.22Å
9	L	46.5	Very low	56.8	Low	148 Å²	148	135.9 Å²	135.9	78%	0.775	69%	0.691	S	S	*	*			trans	-64.7	90.6	160.3	-103.2	144	0	0	0	107.2	L7 L11	L7-L9 PolarHBondContact O-N 3.17Å; L9-L11 VanDerWaalsContact C-N 3.31Å; L9-L11 PolarHBondContact O-N 3.09Å
10	L	45	Very low	58	Low	153 Å²	153	136.1 Å²	136.1	80%	0.801	70%	0.699	S	S	*	*			trans	-63.8	100.1	159.4	-78	163	0	0	0	106.4	F8 S12	F8-L10 PolarHBondContact O-N 3.22Å; L10-S12 PolarHBondContact O-N 2.76Å
11	L	42.8	Very low	59.3	Low	159 Å²	159	136.8 Å²	136.8	83%	0.832	70%	0.704	S	S	*	*			trans	-59.7	89.3	157.9	-109.4	94.6	0	0	0	106.4	L9 P13	L9-L11 VanDerWaalsContact C-N 3.31Å; L9-L11 PolarHBondContact O-N 3.09Å; L11-P13 VanDerWaalsContact O-CD 3.3Å; L11-P13 WeakPolarHBondContact O-CD 3.13Å
12	S	44.9	Very low	61.5	Low	101 Å²	101	127.5 Å²	127.5	71%	0.706	66%	0.659	S	S	*	*			trans	-68.1	115.1	164	-167.8	0	0	0	0	105.5	L10 A14	L10-S12 PolarHBondContact O-N 2.76Å; S12-A14 PolarHBondContact O-N 3.21Å
13	P	44.2	Very low	63.6	Low	99 Å²	99	118.4 Å²	118.4	64%	0.643	63%	0.627	S	S	*	*			trans	-56.7	130.1	-179.9	22.3	-31	0	0	0	108.4	L11 L15	L11-P13 VanDerWaalsContact O-CD 3.3Å; L11-P13 WeakPolarHBondContact O-CD 3.13Å; P13-L15 VanDerWaalsContact C-N 3.3Å; P13-L15 PolarHBondContact O-N 3.2Å
14	A	52.3	Low	65.8	Low	91 Å²	91	107.3 Å²	107.3	75%	0.752	59%	0.586	S	S	*	*			trans	-60.9	94.9	175.5	0	0	0	0	0	108.1	S12 C16	S12-A14 PolarHBondContact O-N 3.21Å; A14-C16 PolarHBondContact O-N 2.77Å
15	L	60	Low	68	Low	137 Å²	137	98.6 Å²	98.6	72%	0.717	56%	0.556	S	S	*	*			trans	-65.6	104.9	172	-88.6	121	0	0	0	107.4	P13 L17	P13-L15 VanDerWaalsContact C-N 3.3Å; P13-L15 PolarHBondContact O-N 3.2Å; L15-L17 PolarHBondContact O-N 3.39Å
16	C	76.1	Confident	70	Confident	42 Å²	42	98 Å²	98	28%	0.284	54%	0.543	S	S	.	.			trans	-61.4	120.7	172.4	-157.7	0	0	0	0	107.9	A14 F18	A14-C16 PolarHBondContact O-N 2.77Å; C16-F18 PolarHBondContact O-N 3.4Å; C16-F18 PolarHBondContact SG-O 3.16Å
17	L	86	Confident	72.3	Confident	23 Å²	23	92.8 Å²	92.8	12%	0.12	51%	0.512	C	S	.	.	S	Bend	trans	-62.7	-31	-177.6	-62.1	-174	0	0	0	112	L15 Y47 K55 A58 K62	L15-L17 PolarHBondContact O-N 3.39Å; L17-Y47 HydrophobicContact CB-CE2 4.08Å; L17-Y47 HydrophobicContact CD1-CD2 3.43Å; L17-Y47 VanDerWaalsContact CD1-CD2 3.43Å; L17-Y47 HydrophobicContact CD1-CE2 3.73Å; L17-Y47 HydrophobicContact CD1-CG 4.19Å; L17-Y47 HydrophobicContact CG-CD2 4.06Å; L17-Y47 HydrophobicContact CG-CE2 3.8Å; L17-K55 HydrophobicContact CD1-CG 4.49Å; L17-K55 HydrophobicContact CD2-CG 3.78Å; L17-A58 HydrophobicContact CB-CB 4.26Å; L17-A58 HydrophobicContact CD1-CB 4.4Å; L17-K62 WeakPolarHBondContact O-CE 3.14Å; L17-K62 PolarHBondContact O-NZ 2.96Å
18	F	90.4	Very high	74.2	Confident	13 Å²	13	87.2 Å²	87.2	6%	0.057	48%	0.484	C	S	.	.	S	Bend	trans	-122.4	127.3	-179	-51.8	-72.9	0	0	0	110.3	C16 D22 V24 M45 Y47 A58 W61 K62 A76	C16-F18 PolarHBondContact O-N 3.4Å; C16-F18 PolarHBondContact SG-O 3.16Å; F18-D22 WeakPolarHBondContact CA-OD2 2.97Å; F18-V24 HydrophobicContact CB-CB 4.41Å; F18-V24 HydrophobicContact CB-CG1 4.35Å; F18-V24 HydrophobicContact CD1-CB 3.98Å; F18-V24 HydrophobicContact CD1-CG1 3.94Å; F18-V24 HydrophobicContact CD1-CG2 3.76Å; F18-V24 HydrophobicContact CD2-CG1 4.48Å; F18-V24 HydrophobicContact CE1-CG1 4.4Å; F18-V24 HydrophobicContact CE1-CG2 4.09Å; F18-V24 HydrophobicContact CG-CB 4.3Å; F18-V24 HydrophobicContact CG-CG1 3.99Å; F18-M45 HydrophobicContact CZ-SD 4.22Å; F18-Y47 HydrophobicContact CD2-CD1 4.22Å; F18-Y47 AromaticContact CD2-CE1 3.67Å; F18-Y47 HydrophobicContact CD2-CE1 3.67Å; F18-Y47 AromaticContact CE2-CD1 3.83Å; F18-Y47 HydrophobicContact CE2-CD1 3.83Å; F18-Y47 AromaticContact CE2-CE1 3.76Å; F18-Y47 HydrophobicContact CE2-CE1 3.76Å; F18-Y47 HydrophobicContact CE2-CG 4.38Å; F18-A58 HydrophobicContact CE1-CB 4.09Å; F18-A58 HydrophobicContact CZ-CB 4.01Å; F18-W61 HydrophobicContact CE1-CB 4.14Å; F18-W61 AromaticContact CE1-CD1 3.6Å; F18-W61 HydrophobicContact CE1-CG 4.23Å; F18-W61 HydrophobicContact CZ-CB 4.25Å; F18-W61 AromaticContact CZ-CD1 3.58Å; F18-W61 HydrophobicContact CZ-CG 4.17Å; F18-K62 HydrophobicContact CD1-CG 3.9Å; F18-K62 HydrophobicContact CE1-CG 3.97Å; F18-A76 HydrophobicContact CD2-CB 3.45Å; F18-A76 VanDerWaalsContact CD2-CB 3.45Å; F18-A76 HydrophobicContact CE2-CB 3.53Å; F18-A76 HydrophobicContact CG-CB 4.19Å; F18-A76 HydrophobicContact CZ-CB 4.32Å
19	N	85.7	Confident	76.3	Confident	93 Å²	93	81.1 Å²	81.1	50%	0.497	46%	0.459	S	S	.	.			trans	-103.9	165	179.6	-67.4	-41.4	0	0	0	110.4	N21 D22	N19-N21 PolarHBondContact O-N 3.31Å; N19-N21 VanDerWaalsContact O-N 3.08Å; N19-D22 PolarHBondContact N-OD2 2.04Å; N19-D22 WeakPolarHBondContact O-CB 3.39Å; N19-D22 PolarHBondContact O-N 2.9Å
20	T	81.1	Confident	78.6	Confident	140 Å²	140	83.1 Å²	83.1	86%	0.859	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-16.6	179.3	52.9	0	0	0	0	114.4
21	N	85.9	Confident	81	Confident	151 Å²	151	78 Å²	78	81%	0.807	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-9.3	178.1	-62.7	-10.9	0	0	0	112.8	N19	N19-N21 PolarHBondContact O-N 3.31Å; N19-N21 VanDerWaalsContact O-N 3.08Å
22	D	90.8	Very high	83.4	Confident	43 Å²	43	70.6 Å²	70.6	23%	0.23	40%	0.399	C	S	.	.	S	Bend	trans	-79.2	152.4	174.7	-60.1	-40.4	0	0	0	109.5	F18 N19 V24 K62	F18-D22 WeakPolarHBondContact CA-OD2 2.97Å; N19-D22 PolarHBondContact N-OD2 2.04Å; N19-D22 WeakPolarHBondContact O-CB 3.39Å; N19-D22 PolarHBondContact O-N 2.9Å; D22-V24 HydrophobicContact CB-CB 4.43Å; D22-V24 HydrophobicContact CB-CG2 4.46Å; D22-V24 PolarHBondContact O-N 2.89Å; D22-V24 VanDerWaalsContact O-N 3.08Å; D22-K62 HydrophobicContact CB-CG 4.43Å; D22-K62 IonicContact OD1-NZ 3.87Å; D22-K62 PolarHBondContact OD1-NZ 2.78Å; D22-K62 VanDerWaalsContact OD2-CE 3.23Å; D22-K62 WeakPolarHBondContact OD2-CE 3.05Å; D22-K62 IonicContact OD2-NZ 3.92Å; D22-K62 PolarHBondContact OD2-NZ 3.46Å
23	D	95.7	Very high	85.6	Confident	48 Å²	48	70.1 Å²	70.1	26%	0.257	39%	0.389	S	S	.	.	S	Bend	trans	-72.1	3.3	174.2	-69.4	-46.9	0	0	0	113.4	A65 T66 K69	D23-A65 HydrophobicContact CB-CB 3.92Å; D23-T66 WeakPolarHBondContact OD2-CA 3.34Å; D23-T66 WeakPolarHBondContact OD2-CB 3.38Å; D23-T66 PolarHBondContact OD2-OG1 2.74Å; D23-K69 WeakPolarHBondContact OD1-CD 3.49Å; D23-K69 WeakPolarHBondContact OD1-CE 3.1Å; D23-K69 IonicContact OD1-NZ 3.51Å; D23-K69 PolarHBondContact OD1-NZ 2.97Å; D23-K69 IonicContact OD2-NZ 3.55Å
24	V	97.4	Very high	87.7	Confident	10 Å²	10	73.8 Å²	73.8	6%	0.061	40%	0.395	C	S	.	.	S	Bend	trans	-84.5	118.1	179.7	-178.2	0	0	0	0	110	F18 D22 K26 K62 A65 A76	F18-V24 HydrophobicContact CB-CB 4.41Å; F18-V24 HydrophobicContact CB-CG1 4.35Å; F18-V24 HydrophobicContact CD1-CB 3.98Å; F18-V24 HydrophobicContact CD1-CG1 3.94Å; F18-V24 HydrophobicContact CD1-CG2 3.76Å; F18-V24 HydrophobicContact CD2-CG1 4.48Å; F18-V24 HydrophobicContact CE1-CG1 4.4Å; F18-V24 HydrophobicContact CE1-CG2 4.09Å; F18-V24 HydrophobicContact CG-CB 4.3Å; F18-V24 HydrophobicContact CG-CG1 3.99Å; D22-V24 HydrophobicContact CB-CB 4.43Å; D22-V24 HydrophobicContact CB-CG2 4.46Å; D22-V24 PolarHBondContact O-N 2.89Å; D22-V24 VanDerWaalsContact O-N 3.08Å; V24-K26 PolarHBondContact O-N 3.48Å; V24-K62 HydrophobicContact CG2-CG 4.22Å; V24-A65 HydrophobicContact CG2-CB 3.62Å; V24-A76 HydrophobicContact CG1-CB 3.62Å
25	I	96	Very high	89.5	Confident	54 Å²	54	71.8 Å²	71.8	28%	0.277	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	122	178.5	-61.2	166.7	0	0	0	109.8	L27 V35 W42 K73 V74 A75 A76	I25-L27 HydrophobicContact CG2-CD2 4.12Å; I25-L27 HydrophobicContact CG2-CG 4.48Å; I25-L27 PolarHBondContact O-N 3.23Å; I25-V35 HydrophobicContact CG2-CG1 4.27Å; I25-W42 HydrophobicContact CD1-CH2 3.85Å; I25-W42 HydrophobicContact CD1-CZ3 3.73Å; I25-W42 HydrophobicContact CG2-CZ3 4.36Å; I25-K73 HydrophobicContact CD1-CB 4.32Å; I25-K73 HydrophobicContact CD1-CD 3.64Å; I25-V74 PolarHBondContact N-O 3.16Å; I25-A75 HydrophobicContact CB-CB 4.04Å; I25-A75 CarbonylContact O-C 3.48Å; I25-A75 WeakPolarHBondContact O-CA 3.39Å; I25-A75 VanDerWaalsContact O-CB 3.25Å; I25-A75 WeakPolarHBondContact O-CB 3.38Å; I25-A76 PolarHBondContact O-N 3.44Å
26	K	95.9	Very high	90.9	Very high	115 Å²	115	65.5 Å²	65.5	50%	0.5	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	118.4	174.7	-171.8	176.4	-177.5	174.1	0	110.7	V24 N31	V24-K26 PolarHBondContact O-N 3.48Å; K26-N31 PolarHBondContact O-ND2 3.14Å
27	L	96.3	Very high	91.4	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	145	174	-63.6	177.1	0	0	0	111	I25 N31 F32 V35 I36 I44 A75 A76 V77	I25-L27 HydrophobicContact CG2-CD2 4.12Å; I25-L27 HydrophobicContact CG2-CG 4.48Å; I25-L27 PolarHBondContact O-N 3.23Å; L27-N31 VanDerWaalsContact CA-OD1 3.31Å; L27-N31 WeakPolarHBondContact CA-OD1 3.17Å; L27-F32 HydrophobicContact CB-CD2 3.92Å; L27-F32 HydrophobicContact CD1-CD2 3.71Å; L27-F32 HydrophobicContact CD1-CE2 3.77Å; L27-F32 HydrophobicContact CG-CD2 4.35Å; L27-V35 HydrophobicContact CD2-CB 3.68Å; L27-V35 HydrophobicContact CD2-CG1 3.52Å; L27-V35 HydrophobicContact CD2-CG2 4.21Å; L27-I36 HydrophobicContact CD1-CG2 3.86Å; L27-I44 HydrophobicContact CD1-CD1 3.68Å; L27-I44 HydrophobicContact CD1-CG1 4.3Å; L27-I44 HydrophobicContact CD1-CG2 4.06Å; L27-A75 HydrophobicContact CD1-CB 3.55Å; L27-A75 HydrophobicContact CG-CB 3.86Å; L27-A76 PolarHBondContact N-O 3.03Å; L27-V77 HydrophobicContact CB-CG2 3.69Å
28	T	96	Very high	91.4	Very high	30 Å²	30	68.3 Å²	68.3	18%	0.184	36%	0.362	C	S	.	.			trans	-137.1	165.3	-177.6	66.8	0	0	0	0	110.9	Q30 N31 F32 N82	T28-Q30 PolarHBondContact O-N 2.88Å; T28-Q30 PolarHBondContact OG1-N 2.97Å; T28-N31 PolarHBondContact N-OD1 3.21Å; T28-N31 PolarHBondContact O-N 3.33Å; T28-N31 VanDerWaalsContact O-N 3.12Å; T28-N31 PolarHBondContact O-OD1 3.28Å; T28-N31 PolarHBondContact OG1-N 2.89Å; T28-N31 PolarHBondContact OG1-OD1 2.86Å; T28-F32 WeakPolarHBondContact O-CB 3.25Å; T28-F32 PolarHBondContact O-N 2.86Å; T28-N82 WeakPolarHBondContact CA-OD1 3.47Å; T28-N82 WeakPolarHBondContact CB-OD1 3.24Å
29	D	93.9	Very high	91.2	Very high	54 Å²	54	75.8 Å²	75.8	29%	0.289	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-27.8	174.2	-78.7	-9.6	0	0	0	112.7	N82 P83 T84 V85	D29-N82 PolarHBondContact N-OD1 3.04Å; D29-N82 VanDerWaalsContact OD1-C 3.3Å; D29-N82 WeakPolarHBondContact OD1-CA 3.4Å; D29-N82 WeakPolarHBondContact OD1-CB 3.39Å; D29-N82 WeakPolarHBondContact OD2-CA 3.46Å; D29-P83 WeakPolarHBondContact OD2-CD 3.42Å; D29-T84 WeakPolarHBondContact OD1-CB 3.32Å; D29-T84 PolarHBondContact OD1-N 3.49Å; D29-T84 WeakPolarHBondContact OD2-CB 3.35Å; D29-T84 PolarHBondContact OD2-N 3.08Å; D29-T84 PolarHBondContact OD2-OG1 3.41Å; D29-V85 WeakPolarHBondContact OD1-CB 3.28Å; D29-V85 VanDerWaalsContact OD1-CG1 3.27Å; D29-V85 WeakPolarHBondContact OD1-CG1 3.38Å; D29-V85 PolarHBondContact OD1-N 3.36Å
30	Q	93.3	Very high	91.4	Very high	190 Å²	190	74.7 Å²	74.7	89%	0.888	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-31.6	-178.5	-64.9	177	-10.5	0	0	113.9	T28	T28-Q30 PolarHBondContact O-N 2.88Å; T28-Q30 PolarHBondContact OG1-N 2.97Å
31	N	95.4	Very high	92.1	Very high	46 Å²	46	68.3 Å²	68.3	25%	0.246	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.2	-13.6	-170.6	78.8	4.4	0	0	0	114.1	K26 L27 T28 D33 K34 V35	K26-N31 PolarHBondContact O-ND2 3.14Å; L27-N31 VanDerWaalsContact CA-OD1 3.31Å; L27-N31 WeakPolarHBondContact CA-OD1 3.17Å; T28-N31 PolarHBondContact N-OD1 3.21Å; T28-N31 PolarHBondContact O-N 3.33Å; T28-N31 VanDerWaalsContact O-N 3.12Å; T28-N31 PolarHBondContact O-OD1 3.28Å; T28-N31 PolarHBondContact OG1-N 2.89Å; T28-N31 PolarHBondContact OG1-OD1 2.86Å; N31-D33 PolarHBondContact O-N 2.54Å; N31-K34 PolarHBondContact O-N 2.65Å; N31-V35 HydrophobicContact CB-CG2 4.08Å; N31-V35 WeakPolarHBondContact O-CB 3.41Å; N31-V35 VanDerWaalsContact O-CG2 3.27Å; N31-V35 WeakPolarHBondContact O-CG2 3.38Å; N31-V35 PolarHBondContact O-N 3.47Å
32	F	94.6	Very high	92.6	Very high	3 Å²	3	61.3 Å²	61.3	1%	0.013	31%	0.309	C	S	.	.	H	α-helix	trans	-52.4	-60.7	-167.6	-171.4	-89.1	0	0	0	112.5	L27 T28 K34 V35 I36 I44 F46 V77 V85 F89 F100	L27-F32 HydrophobicContact CB-CD2 3.92Å; L27-F32 HydrophobicContact CD1-CD2 3.71Å; L27-F32 HydrophobicContact CD1-CE2 3.77Å; L27-F32 HydrophobicContact CG-CD2 4.35Å; T28-F32 WeakPolarHBondContact O-CB 3.25Å; T28-F32 PolarHBondContact O-N 2.86Å; F32-K34 VanDerWaalsContact C-N 3.32Å; F32-K34 PolarHBondContact O-N 3.04Å; F32-V35 PolarHBondContact O-N 3.42Å; F32-V35 VanDerWaalsContact O-N 3.16Å; F32-I36 HydrophobicContact CD1-CD1 3.9Å; F32-I36 HydrophobicContact CD1-CG1 4.02Å; F32-I36 HydrophobicContact CE1-CD1 3.28Å; F32-I36 HydrophobicContact CE1-CG1 3.89Å; F32-I36 HydrophobicContact CE1-CG2 4.35Å; F32-I36 HydrophobicContact CE2-CG2 4.44Å; F32-I36 HydrophobicContact CZ-CD1 3.93Å; F32-I36 HydrophobicContact CZ-CG2 4.3Å; F32-I36 WeakPolarHBondContact O-CG1 3.4Å; F32-I36 PolarHBondContact O-N 3.15Å; F32-I44 HydrophobicContact CE2-CD1 3.74Å; F32-I44 HydrophobicContact CE2-CG2 4.33Å; F32-I44 HydrophobicContact CZ-CD1 3.78Å; F32-F46 HydrophobicContact CE2-CZ 4.2Å; F32-F46 HydrophobicContact CZ-CZ 4.47Å; F32-V77 HydrophobicContact CD2-CG2 4.22Å; F32-V77 HydrophobicContact CE2-CG2 4.16Å; F32-V85 HydrophobicContact CB-CG2 4.17Å; F32-V85 HydrophobicContact CD1-CG2 3.78Å; F32-V85 HydrophobicContact CD2-CG2 3.5Å; F32-V85 HydrophobicContact CE1-CG2 3.95Å; F32-V85 HydrophobicContact CE2-CG2 3.69Å; F32-V85 HydrophobicContact CG-CG2 3.55Å; F32-V85 HydrophobicContact CZ-CG2 3.92Å; F32-F89 HydrophobicContact CD1-CE2 4.41Å; F32-F89 AromaticContact CE1-CE2 3.46Å; F32-F89 HydrophobicContact CE1-CE2 3.46Å; F32-F89 VanDerWaalsContact CE1-CE2 3.46Å; F32-F89 AromaticContact CE1-CZ 3.75Å; F32-F89 HydrophobicContact CE1-CZ 3.75Å; F32-F89 HydrophobicContact CE2-CE2 4.39Å; F32-F89 HydrophobicContact CZ-CD2 4.36Å; F32-F89 AromaticContact CZ-CE2 3.46Å; F32-F89 HydrophobicContact CZ-CE2 3.46Å; F32-F89 VanDerWaalsContact CZ-CE2 3.46Å; F32-F89 AromaticContact CZ-CZ 3.99Å; F32-F89 HydrophobicContact CZ-CZ 3.99Å; F32-F100 HydrophobicContact CE1-CE1 4.45Å; F32-F100 HydrophobicContact CZ-CE1 4.19Å; F32-F100 AromaticContact CZ-CZ 3.85Å; F32-F100 HydrophobicContact CZ-CZ 3.85Å
33	D	89.9	Confident	93	Very high	91 Å²	91	59.2 Å²	59.2	49%	0.487	30%	0.298	S	S	.	.	H	α-helix	trans	-60.9	-40.3	-175.5	-72.4	-44.7	0	0	0	112.8	N31 S37 R88	N31-D33 PolarHBondContact O-N 2.54Å; D33-S37 WeakPolarHBondContact O-CB 3.3Å; D33-S37 PolarHBondContact O-N 2.91Å; D33-R88 VanDerWaalsContact CG-NH1 3.34Å; D33-R88 IonicContact OD1-CZ 3.16Å; D33-R88 IonicContact OD1-NH1 3.78Å; D33-R88 PolarHBondContact OD1-NH1 2.87Å; D33-R88 IonicContact OD1-NH2 3.96Å; D33-R88 IonicContact OD2-NH1 3.83Å; D33-R88 PolarHBondContact OD2-NH1 2.92Å
34	K	88.9	Confident	93.1	Very high	176 Å²	176	57 Å²	57	77%	0.765	29%	0.286	S	S	*	.	H	α-helix	trans	-63	-46.8	177.8	-174.7	179.1	179	-179.6	0	110.8	N31 F32 S37	N31-K34 PolarHBondContact O-N 2.65Å; F32-K34 VanDerWaalsContact C-N 3.32Å; F32-K34 PolarHBondContact O-N 3.04Å; K34-S37 PolarHBondContact O-OG 2.85Å
35	V	89.5	Confident	93.1	Very high	48 Å²	48	56.6 Å²	56.6	29%	0.291	28%	0.284	S	S	.	.	H	α-helix	trans	-72.4	-44.6	-174.1	174.7	0	0	0	0	111.3	I25 L27 N31 F32 S37 W42	I25-V35 HydrophobicContact CG2-CG1 4.27Å; L27-V35 HydrophobicContact CD2-CB 3.68Å; L27-V35 HydrophobicContact CD2-CG1 3.52Å; L27-V35 HydrophobicContact CD2-CG2 4.21Å; N31-V35 HydrophobicContact CB-CG2 4.08Å; N31-V35 WeakPolarHBondContact O-CB 3.41Å; N31-V35 VanDerWaalsContact O-CG2 3.27Å; N31-V35 WeakPolarHBondContact O-CG2 3.38Å; N31-V35 PolarHBondContact O-N 3.47Å; F32-V35 PolarHBondContact O-N 3.42Å; F32-V35 VanDerWaalsContact O-N 3.16Å; V35-S37 PolarHBondContact O-N 3.47Å; V35-W42 HydrophobicContact CG1-CH2 3.33Å; V35-W42 HydrophobicContact CG1-CZ2 4.1Å; V35-W42 HydrophobicContact CG1-CZ3 3.86Å; V35-W42 VanDerWaalsContact O-CZ2 3.25Å; V35-W42 WeakPolarHBondContact O-CZ2 3.39Å
36	I	90.7	Very high	93.2	Very high	5 Å²	5	54 Å²	54	3%	0.026	27%	0.27	C	S	.	.	H	α-helix	trans	-79.1	-4.9	-176.7	72.7	150.7	0	0	0	113.6	L27 F32 S38 W42 I44 F100 K104	L27-I36 HydrophobicContact CD1-CG2 3.86Å; F32-I36 HydrophobicContact CD1-CD1 3.9Å; F32-I36 HydrophobicContact CD1-CG1 4.02Å; F32-I36 HydrophobicContact CE1-CD1 3.28Å; F32-I36 HydrophobicContact CE1-CG1 3.89Å; F32-I36 HydrophobicContact CE1-CG2 4.35Å; F32-I36 HydrophobicContact CE2-CG2 4.44Å; F32-I36 HydrophobicContact CZ-CD1 3.93Å; F32-I36 HydrophobicContact CZ-CG2 4.3Å; F32-I36 WeakPolarHBondContact O-CG1 3.4Å; F32-I36 PolarHBondContact O-N 3.15Å; I36-S38 PolarHBondContact O-N 3.29Å; I36-S38 VanDerWaalsContact O-N 3.13Å; I36-W42 HydrophobicContact CG2-CD2 4.19Å; I36-W42 HydrophobicContact CG2-CE3 4.18Å; I36-I44 HydrophobicContact CG2-CD1 3.8Å; I36-F100 HydrophobicContact CD1-CD1 3.93Å; I36-F100 HydrophobicContact CD1-CE1 3.96Å; I36-K104 HydrophobicContact CD1-CB 4.19Å; I36-K104 HydrophobicContact CD1-CD 4.47Å; I36-K104 WeakPolarHBondContact O-CD 3.45Å; I36-K104 WeakPolarHBondContact O-CE 3.46Å; I36-K104 WeakPolarHBondContact O-CG 3.24Å
37	S	85.7	Confident	93.2	Very high	90 Å²	90	48.7 Å²	48.7	63%	0.629	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-12.6	178.6	67.4	0	0	0	0	114.5	D33 K34 V35	D33-S37 WeakPolarHBondContact O-CB 3.3Å; D33-S37 PolarHBondContact O-N 2.91Å; K34-S37 PolarHBondContact O-OG 2.85Å; V35-S37 PolarHBondContact O-N 3.47Å
38	S	86.5	Confident	93.1	Very high	34 Å²	34	48.7 Å²	48.7	24%	0.238	25%	0.247	C	C	.	.	S	Bend	trans	-64.3	153	177.4	77.7	0	0	0	0	111.7	I36 E40 W42 K104	I36-S38 PolarHBondContact O-N 3.29Å; I36-S38 VanDerWaalsContact O-N 3.13Å; S38-E40 WeakPolarHBondContact CB-OE2 3.41Å; S38-E40 PolarHBondContact O-N 3.22Å; S38-E40 PolarHBondContact OG-OE2 3.5Å; S38-W42 PolarHBondContact OG-NE1 3.41Å; S38-W42 VanDerWaalsContact OG-NE1 3.15Å; S38-K104 WeakPolarHBondContact O-CE 3.42Å; S38-K104 PolarHBondContact O-NZ 3.35Å
39	K	85.1	Confident	92.9	Very high	171 Å²	171	48.1 Å²	48.1	74%	0.743	25%	0.245	S	C	*	.	S	Bend	trans	-71.9	12.8	175.4	-67.1	-172.2	176.6	-176.5	0	113.5	R134	K39-R134 PolarHBondContact O-NH2 2.83Å
40	E	91.1	Very high	92.7	Very high	70 Å²	70	53.3 Å²	53.3	33%	0.327	26%	0.26	S	S	.	.	S	Bend	trans	-80.6	161.6	-178	-65	163.8	122.3	0	0	110.9	S38 K73 K104	S38-E40 WeakPolarHBondContact CB-OE2 3.41Å; S38-E40 PolarHBondContact O-N 3.22Å; S38-E40 PolarHBondContact OG-OE2 3.5Å; E40-K73 HydrophobicContact CB-CG 3.89Å; E40-K73 HydrophobicContact CG-CG 4.43Å; E40-K73 WeakPolarHBondContact OE1-CE 3.36Å; E40-K73 IonicContact OE1-NZ 2.66Å; E40-K73 PolarHBondContact OE1-NZ 2.89Å; E40-K73 WeakPolarHBondContact OE2-CE 3.38Å; E40-K104 WeakPolarHBondContact O-CE 3.43Å; E40-K104 PolarHBondContact O-NZ 3.11Å
41	L	95.2	Very high	92.8	Very high	5 Å²	5	44.8 Å²	44.8	3%	0.026	22%	0.222	C	C	.	.			trans	-79.8	126.2	168.5	179.4	60.3	0	0	0	108.4	F43 I72 K73 I99 E126 L127 L130	L41-F43 HydrophobicContact CD1-CE2 4.46Å; L41-F43 HydrophobicContact CD2-CE2 4.08Å; L41-F43 HydrophobicContact CG-CD2 4.42Å; L41-F43 HydrophobicContact CG-CE2 4.09Å; L41-I72 HydrophobicContact CB-CG2 4.4Å; L41-I72 HydrophobicContact CD2-CG2 4.08Å; L41-I72 HydrophobicContact CG-CG2 4.5Å; L41-K73 PolarHBondContact O-N 3.35Å; L41-I99 HydrophobicContact CD1-CG2 3.78Å; L41-E126 HydrophobicContact CD1-CB 4.33Å; L41-E126 HydrophobicContact CD2-CB 3.77Å; L41-L127 HydrophobicContact CD2-CB 4.28Å; L41-L130 HydrophobicContact CB-CD2 4.03Å
42	W	97.4	Very high	92.7	Very high	4 Å²	4	44.6 Å²	44.6	2%	0.015	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	137.2	179.6	-63.6	70.4	0	0	0	112.3	I25 V35 I36 S38 I44 K73 A75 I99 F100	I25-W42 HydrophobicContact CD1-CH2 3.85Å; I25-W42 HydrophobicContact CD1-CZ3 3.73Å; I25-W42 HydrophobicContact CG2-CZ3 4.36Å; V35-W42 HydrophobicContact CG1-CH2 3.33Å; V35-W42 HydrophobicContact CG1-CZ2 4.1Å; V35-W42 HydrophobicContact CG1-CZ3 3.86Å; V35-W42 VanDerWaalsContact O-CZ2 3.25Å; V35-W42 WeakPolarHBondContact O-CZ2 3.39Å; I36-W42 HydrophobicContact CG2-CD2 4.19Å; I36-W42 HydrophobicContact CG2-CE3 4.18Å; S38-W42 PolarHBondContact OG-NE1 3.41Å; S38-W42 VanDerWaalsContact OG-NE1 3.15Å; W42-I44 HydrophobicContact CB-CD1 4.35Å; W42-I44 HydrophobicContact CB-CG1 4.13Å; W42-K73 CarbonylContact C-O 3.53Å; W42-K73 VanDerWaalsContact CA-O 3.25Å; W42-K73 WeakPolarHBondContact CA-O 3.45Å; W42-K73 HydrophobicContact CD2-CB 3.31Å; W42-K73 HydrophobicContact CD2-CG 4.02Å; W42-K73 HydrophobicContact CE3-CB 3.33Å; W42-K73 HydrophobicContact CE3-CG 4.27Å; W42-K73 HydrophobicContact CG-CB 3.89Å; W42-K73 HydrophobicContact CH2-CB 3.71Å; W42-K73 HydrophobicContact CH2-CD 4.02Å; W42-K73 HydrophobicContact CH2-CG 3.8Å; W42-K73 HydrophobicContact CZ2-CB 3.74Å; W42-K73 HydrophobicContact CZ2-CD 4.15Å; W42-K73 HydrophobicContact CZ2-CG 3.56Å; W42-K73 HydrophobicContact CZ3-CB 3.54Å; W42-K73 HydrophobicContact CZ3-CG 4.18Å; W42-A75 HydrophobicContact CE3-CB 4.16Å; W42-A75 HydrophobicContact CZ3-CB 4.21Å; W42-I99 CarbonylContact O-C 3.54Å; W42-I99 VanDerWaalsContact O-CA 3.31Å; W42-I99 WeakPolarHBondContact O-CA 3.36Å; W42-F100 HydrophobicContact CB-CB 4.09Å; W42-F100 PolarHBondContact N-O 2.79Å; W42-F100 PolarHBondContact O-N 3.34Å
43	F	97.9	Very high	92.6	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	118.3	165.9	-82.8	-110.7	0	0	0	107.8	L41 W61 F64 I72 K73 V74 A75 I97 I99 E122 A123 E126	L41-F43 HydrophobicContact CD1-CE2 4.46Å; L41-F43 HydrophobicContact CD2-CE2 4.08Å; L41-F43 HydrophobicContact CG-CD2 4.42Å; L41-F43 HydrophobicContact CG-CE2 4.09Å; F43-W61 HydrophobicContact CB-CH2 3.87Å; F43-W61 HydrophobicContact CB-CZ2 4.25Å; F43-W61 HydrophobicContact CD1-CH2 4.48Å; F43-F64 HydrophobicContact CB-CE1 3.78Å; F43-F64 HydrophobicContact CB-CZ 4.26Å; F43-F64 AromaticContact CD1-CE1 3.92Å; F43-F64 HydrophobicContact CD1-CE1 3.92Å; F43-F64 AromaticContact CD1-CZ 3.84Å; F43-F64 HydrophobicContact CD1-CZ 3.84Å; F43-F64 HydrophobicContact CD2-CZ 4.25Å; F43-F64 HydrophobicContact CE1-CZ 4.22Å; F43-F64 AromaticContact CG-CE1 3.87Å; F43-F64 HydrophobicContact CG-CE1 3.87Å; F43-F64 AromaticContact CG-CZ 3.86Å; F43-F64 HydrophobicContact CG-CZ 3.86Å; F43-I72 HydrophobicContact CD2-CD1 4.04Å; F43-I72 HydrophobicContact CE2-CD1 4.33Å; F43-K73 PolarHBondContact N-O 2.86Å; F43-V74 WeakPolarHBondContact O-CA 3.27Å; F43-A75 PolarHBondContact O-N 3.5Å; F43-I97 HydrophobicContact CD1-CG2 4.35Å; F43-I99 HydrophobicContact CD1-CD1 4.33Å; F43-I99 HydrophobicContact CD1-CG1 3.91Å; F43-I99 HydrophobicContact CD2-CG2 4.22Å; F43-I99 HydrophobicContact CE1-CD1 3.52Å; F43-I99 HydrophobicContact CE1-CG1 3.6Å; F43-I99 HydrophobicContact CE1-CG2 4.49Å; F43-I99 HydrophobicContact CE2-CG1 4.41Å; F43-I99 HydrophobicContact CE2-CG2 3.78Å; F43-I99 HydrophobicContact CG-CG1 4.44Å; F43-I99 HydrophobicContact CZ-CD1 3.64Å; F43-I99 HydrophobicContact CZ-CG1 3.87Å; F43-I99 HydrophobicContact CZ-CG2 3.93Å; F43-E122 HydrophobicContact CE1-CG 4.11Å; F43-E122 HydrophobicContact CZ-CG 4.13Å; F43-A123 HydrophobicContact CE2-CB 4.23Å; F43-A123 HydrophobicContact CZ-CB 4.14Å; F43-E126 HydrophobicContact CZ-CG 4.39Å
44	I	97.9	Very high	92.9	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	117.3	-173.8	-48.5	-173.1	0	0	0	109.6	L27 F32 I36 W42 F46 A75 V77 I97 L98 F100	L27-I44 HydrophobicContact CD1-CD1 3.68Å; L27-I44 HydrophobicContact CD1-CG1 4.3Å; L27-I44 HydrophobicContact CD1-CG2 4.06Å; F32-I44 HydrophobicContact CE2-CD1 3.74Å; F32-I44 HydrophobicContact CE2-CG2 4.33Å; F32-I44 HydrophobicContact CZ-CD1 3.78Å; I36-I44 HydrophobicContact CG2-CD1 3.8Å; W42-I44 HydrophobicContact CB-CD1 4.35Å; W42-I44 HydrophobicContact CB-CG1 4.13Å; I44-F46 HydrophobicContact CB-CE2 4.32Å; I44-F46 HydrophobicContact CG2-CD2 4.34Å; I44-F46 HydrophobicContact CG2-CE2 3.87Å; I44-F46 HydrophobicContact CG2-CZ 4.32Å; I44-A75 WeakPolarHBondContact CA-O 3.34Å; I44-A75 HydrophobicContact CG1-CB 4.22Å; I44-A75 HydrophobicContact CG2-CB 4.34Å; I44-V77 HydrophobicContact CG2-CG2 3.87Å; I44-I97 WeakPolarHBondContact O-CA 3.18Å; I44-L98 PolarHBondContact N-O 2.87Å; I44-L98 PolarHBondContact O-N 3.45Å; I44-F100 HydrophobicContact CB-CE2 4.08Å; I44-F100 HydrophobicContact CD1-CD2 3.6Å; I44-F100 HydrophobicContact CD1-CE2 3.41Å; I44-F100 VanDerWaalsContact CD1-CE2 3.41Å; I44-F100 HydrophobicContact CD1-CG 4.37Å; I44-F100 HydrophobicContact CD1-CZ 4.04Å; I44-F100 HydrophobicContact CG1-CD2 3.84Å; I44-F100 HydrophobicContact CG1-CE2 3.79Å
45	M	97.6	Very high	93.2	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.01	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	117.2	173.7	-178.6	-177.7	-73.7	0	0	110.6	F18 A57 W61 A75 A76 V77 P95 I97	F18-M45 HydrophobicContact CZ-SD 4.22Å; M45-A57 HydrophobicContact CE-CB 3.96Å; M45-W61 HydrophobicContact CB-CD2 4.11Å; M45-W61 HydrophobicContact CB-CH2 4.11Å; M45-W61 HydrophobicContact CB-CZ2 3.55Å; M45-W61 HydrophobicContact CE-CB 3.93Å; M45-W61 HydrophobicContact CE-CD2 3.44Å; M45-W61 VanDerWaalsContact CE-CD2 3.44Å; M45-W61 HydrophobicContact CE-CE3 3.43Å; M45-W61 VanDerWaalsContact CE-CE3 3.43Å; M45-W61 HydrophobicContact CE-CG 3.68Å; M45-W61 HydrophobicContact CE-CZ3 4.07Å; M45-W61 HydrophobicContact SD-CD2 4.32Å; M45-W61 HydrophobicContact SD-CG 4.21Å; M45-A75 PolarHBondContact N-O 3.28Å; M45-A76 CarbonylContact O-C 3.59Å; M45-A76 VanDerWaalsContact O-CA 3.26Å; M45-A76 WeakPolarHBondContact O-CA 3.01Å; M45-V77 PolarHBondContact O-N 3.14Å; M45-P95 HydrophobicContact CE-CB 4.15Å; M45-P95 HydrophobicContact CG-CB 3.71Å; M45-P95 HydrophobicContact SD-CB 3.81Å; M45-I97 HydrophobicContact CB-CG1 4.12Å; M45-I97 HydrophobicContact CE-CD1 3.9Å; M45-I97 HydrophobicContact CE-CG1 4.09Å; M45-I97 HydrophobicContact CG-CG1 4.17Å
46	F	97.7	Very high	93.4	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	121.7	165.6	-65.9	-100.6	0	0	0	108.6	F32 I44 V77 V85 F89 V91 P95 T96 L98	F32-F46 HydrophobicContact CE2-CZ 4.2Å; F32-F46 HydrophobicContact CZ-CZ 4.47Å; I44-F46 HydrophobicContact CB-CE2 4.32Å; I44-F46 HydrophobicContact CG2-CD2 4.34Å; I44-F46 HydrophobicContact CG2-CE2 3.87Å; I44-F46 HydrophobicContact CG2-CZ 4.32Å; F46-V77 HydrophobicContact CD1-CB 3.74Å; F46-V77 HydrophobicContact CD1-CG1 3.82Å; F46-V77 HydrophobicContact CD1-CG2 4.2Å; F46-V77 HydrophobicContact CE1-CB 3.96Å; F46-V77 HydrophobicContact CE1-CG1 3.96Å; F46-V77 HydrophobicContact CE1-CG2 3.93Å; F46-V77 HydrophobicContact CG-CB 4.29Å; F46-V77 HydrophobicContact CZ-CG2 4.24Å; F46-V85 HydrophobicContact CE1-CG1 4.22Å; F46-V85 HydrophobicContact CE1-CG2 4.29Å; F46-V85 HydrophobicContact CZ-CG2 4.49Å; F46-F89 HydrophobicContact CE1-CD2 4.28Å; F46-F89 AromaticContact CZ-CD2 3.69Å; F46-F89 HydrophobicContact CZ-CD2 3.69Å; F46-F89 HydrophobicContact CZ-CE2 4.37Å; F46-F89 HydrophobicContact CZ-CG 4.4Å; F46-V91 HydrophobicContact CB-CB 4.44Å; F46-V91 HydrophobicContact CB-CG1 3.9Å; F46-V91 HydrophobicContact CB-CG2 3.91Å; F46-V91 HydrophobicContact CD1-CG2 3.86Å; F46-V91 HydrophobicContact CD2-CG2 4.02Å; F46-V91 HydrophobicContact CE1-CG2 4.37Å; F46-V91 HydrophobicContact CG-CG2 3.66Å; F46-P95 CarbonylContact O-C 3.58Å; F46-P95 VanDerWaalsContact O-CA 3.23Å; F46-P95 WeakPolarHBondContact O-CA 3.44Å; F46-T96 PolarHBondContact N-O 3.28Å; F46-T96 PolarHBondContact O-N 2.85Å; F46-L98 HydrophobicContact CD2-CD1 4.39Å; F46-L98 HydrophobicContact CD2-CG 4.44Å; F46-L98 HydrophobicContact CE2-CB 4.37Å; F46-L98 HydrophobicContact CE2-CD1 3.77Å; F46-L98 HydrophobicContact CE2-CG 4.16Å; F46-L98 HydrophobicContact CZ-CD1 4.45Å
47	Y	97.1	Very high	93.7	Very high	4 Å²	4	45.4 Å²	45.4	2%	0.016	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	164.8	-175.7	78.5	-87.8	0	0	0	112	L17 F18 A76 V77 D78 S79	L17-Y47 HydrophobicContact CB-CE2 4.08Å; L17-Y47 HydrophobicContact CD1-CD2 3.43Å; L17-Y47 VanDerWaalsContact CD1-CD2 3.43Å; L17-Y47 HydrophobicContact CD1-CE2 3.73Å; L17-Y47 HydrophobicContact CD1-CG 4.19Å; L17-Y47 HydrophobicContact CG-CD2 4.06Å; L17-Y47 HydrophobicContact CG-CE2 3.8Å; F18-Y47 HydrophobicContact CD2-CD1 4.22Å; F18-Y47 AromaticContact CD2-CE1 3.67Å; F18-Y47 HydrophobicContact CD2-CE1 3.67Å; F18-Y47 AromaticContact CE2-CD1 3.83Å; F18-Y47 HydrophobicContact CE2-CD1 3.83Å; F18-Y47 AromaticContact CE2-CE1 3.76Å; F18-Y47 HydrophobicContact CE2-CE1 3.76Å; F18-Y47 HydrophobicContact CE2-CG 4.38Å; Y47-A76 HydrophobicContact CD1-CB 4.11Å; Y47-A76 HydrophobicContact CE1-CB 3.95Å; Y47-V77 WeakPolarHBondContact CD1-O 3.31Å; Y47-V77 PolarHBondContact N-O 3.24Å; Y47-D78 HydrophobicContact CE1-CB 4.01Å; Y47-D78 HydrophobicContact CE2-CB 4.3Å; Y47-S79 VanDerWaalsContact O-CB 3.24Å; Y47-S79 WeakPolarHBondContact O-CB 3.35Å; Y47-S79 PolarHBondContact O-N 3.41Å; Y47-S79 PolarHBondContact O-OG 2.69Å
48	A	94.2	Very high	94.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.206	C	C	.	.			trans	-122.4	141	165.8	0	0	0	0	0	109.3	W50 C51 E80 F94	A48-W50 HydrophobicContact CB-CD2 4.33Å; A48-W50 HydrophobicContact CB-CZ2 4.04Å; A48-W50 PolarHBondContact O-N 2.89Å; A48-C51 HydrophobicContact CB-CB 4.29Å; A48-C51 WeakPolarHBondContact O-CB 3.38Å; A48-C51 PolarHBondContact O-N 3.48Å; A48-E80 HydrophobicContact CB-CG 4.07Å; A48-F94 HydrophobicContact CB-CB 4.45Å; A48-F94 HydrophobicContact CB-CD2 3.49Å; A48-F94 VanDerWaalsContact CB-CD2 3.49Å; A48-F94 HydrophobicContact CB-CE2 3.77Å; A48-F94 HydrophobicContact CB-CG 3.9Å; A48-F94 HydrophobicContact CB-CZ 4.39Å
49	S	91	Very high	94.6	Very high	18 Å²	18	43.7 Å²	43.7	13%	0.126	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-23.8	-170.3	-67.7	0	0	0	0	112.5	K55 E80	S49-K55 WeakPolarHBondContact O-CE 3.34Å; S49-K55 PolarHBondContact O-NZ 3.21Å; S49-E80 PolarHBondContact N-OE2 3.24Å
50	W	91	Very high	95.2	Very high	162 Å²	162	38 Å²	38	61%	0.614	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-13.9	174.3	54.5	-98.1	0	0	0	114.2	A48 G52 E80 F94	A48-W50 HydrophobicContact CB-CD2 4.33Å; A48-W50 HydrophobicContact CB-CZ2 4.04Å; A48-W50 PolarHBondContact O-N 2.89Å; W50-G52 PolarHBondContact O-N 2.98Å; W50-E80 VanDerWaalsContact NE1-CD 3.3Å; W50-E80 PolarHBondContact NE1-OE1 2.65Å; W50-F94 HydrophobicContact CZ2-CD2 4.39Å; W50-F94 HydrophobicContact CZ2-CE2 4.43Å
51	C	94	Very high	95.6	Very high	12 Å²	12	34.7 Å²	34.7	8%	0.081	18%	0.182	C	C	.	.			trans	-74.3	119	-172.9	-177.5	0	0	0	0	111.9	A48 H53 S54 K55 F94	A48-C51 HydrophobicContact CB-CB 4.29Å; A48-C51 WeakPolarHBondContact O-CB 3.38Å; A48-C51 PolarHBondContact O-N 3.48Å; C51-H53 VanDerWaalsContact C-N 3.31Å; C51-H53 PolarHBondContact O-N 2.57Å; C51-S54 WeakPolarHBondContact O-CB 3.45Å; C51-S54 PolarHBondContact O-N 3.16Å; C51-S54 VanDerWaalsContact O-N 3.11Å; C51-K55 WeakPolarHBondContact O-CG 3.49Å; C51-K55 PolarHBondContact O-N 2.94Å; C51-F94 HydrophobicContact CB-CB 4.06Å; C51-F94 PolarHBondContact SG-O 3.44Å; C51-F94 VanDerWaalsContact SG-O 3.33Å
52	G	93.3	Very high	95.7	Very high	41 Å²	41	37 Å²	37	42%	0.423	19%	0.192	S	C	.	.	H	α-helix	trans	-58.8	-39.3	177.5	0	0	0	0	0	113.2	W50 S54 K55 N56	W50-G52 PolarHBondContact O-N 2.98Å; G52-S54 VanDerWaalsContact C-N 3.32Å; G52-S54 PolarHBondContact O-N 3.17Å; G52-K55 PolarHBondContact O-N 3.19Å; G52-N56 WeakPolarHBondContact O-CB 3.42Å; G52-N56 PolarHBondContact O-N 3.09Å; G52-N56 PolarHBondContact O-OD1 2.79Å
53	H	93.7	Very high	95.7	Very high	107 Å²	107	40.6 Å²	40.6	50%	0.495	21%	0.211	S	C	.	.	H	α-helix	trans	-64.9	-35.8	175.7	-65.3	144	0	0	0	112.9	C51 A57	C51-H53 VanDerWaalsContact C-N 3.31Å; C51-H53 PolarHBondContact O-N 2.57Å; H53-A57 WeakPolarHBondContact O-CB 3.42Å; H53-A57 PolarHBondContact O-N 3.36Å
54	S	95.5	Very high	95.7	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-69.4	-42.5	176.3	-65.6	0	0	0	0	111.2	C51 G52 N56 A57 A58 P95	C51-S54 WeakPolarHBondContact O-CB 3.45Å; C51-S54 PolarHBondContact O-N 3.16Å; C51-S54 VanDerWaalsContact O-N 3.11Å; G52-S54 VanDerWaalsContact C-N 3.32Å; G52-S54 PolarHBondContact O-N 3.17Å; S54-N56 VanDerWaalsContact C-N 3.33Å; S54-N56 PolarHBondContact O-N 3.26Å; S54-A57 PolarHBondContact O-N 2.98Å; S54-A58 PolarHBondContact O-N 3.36Å; S54-P95 WeakPolarHBondContact OG-CD 3.4Å
55	K	94.8	Very high	95.7	Very high	104 Å²	104	40.8 Å²	40.8	45%	0.452	21%	0.213	S	C	.	.	H	α-helix	trans	-58.3	-45.2	173.8	-70.8	174.6	-174.6	-177.2	0	111.7	L17 S49 C51 G52 A57 A58 P59	L17-K55 HydrophobicContact CD1-CG 4.49Å; L17-K55 HydrophobicContact CD2-CG 3.78Å; S49-K55 WeakPolarHBondContact O-CE 3.34Å; S49-K55 PolarHBondContact O-NZ 3.21Å; C51-K55 WeakPolarHBondContact O-CG 3.49Å; C51-K55 PolarHBondContact O-N 2.94Å; G52-K55 PolarHBondContact O-N 3.19Å; K55-A57 VanDerWaalsContact C-N 3.34Å; K55-A57 PolarHBondContact O-N 3.36Å; K55-A58 PolarHBondContact O-N 3.08Å; K55-P59 WeakPolarHBondContact O-CD 3.47Å
56	N	95.3	Very high	95.7	Very high	125 Å²	125	44 Å²	44	67%	0.668	23%	0.233	S	C	*	.	H	α-helix	trans	-67.8	-33.1	180	-69.2	-5.2	0	0	0	112.8	G52 S54	G52-N56 WeakPolarHBondContact O-CB 3.42Å; G52-N56 PolarHBondContact O-N 3.09Å; G52-N56 PolarHBondContact O-OD1 2.79Å; S54-N56 VanDerWaalsContact C-N 3.33Å; S54-N56 PolarHBondContact O-N 3.26Å
57	A	95.5	Very high	95.7	Very high	5 Å²	5	47.5 Å²	47.5	4%	0.041	25%	0.251	C	S	.	.	H	α-helix	trans	-79.9	-19.4	177.5	0	0	0	0	0	113.3	M45 H53 S54 K55 D60 W61 P95 R114	M45-A57 HydrophobicContact CE-CB 3.96Å; H53-A57 WeakPolarHBondContact O-CB 3.42Å; H53-A57 PolarHBondContact O-N 3.36Å; S54-A57 PolarHBondContact O-N 2.98Å; K55-A57 VanDerWaalsContact C-N 3.34Å; K55-A57 PolarHBondContact O-N 3.36Å; A57-D60 PolarHBondContact O-N 3.19Å; A57-W61 WeakPolarHBondContact O-CB 3.4Å; A57-W61 PolarHBondContact O-N 3.23Å; A57-P95 HydrophobicContact CB-CG 4.21Å; A57-R114 HydrophobicContact CB-CB 4.21Å
58	A	96.2	Very high	95.7	Very high	6 Å²	6	48 Å²	48	5%	0.05	25%	0.254	C	S	.	.	H	α-helix	trans	-61.5	-41.7	-172.5	0	0	0	0	0	114.6	L17 F18 S54 K55 W61 K62	L17-A58 HydrophobicContact CB-CB 4.26Å; L17-A58 HydrophobicContact CD1-CB 4.4Å; F18-A58 HydrophobicContact CE1-CB 4.09Å; F18-A58 HydrophobicContact CZ-CB 4.01Å; S54-A58 PolarHBondContact O-N 3.36Å; K55-A58 PolarHBondContact O-N 3.08Å; A58-W61 PolarHBondContact O-N 3.39Å; A58-K62 WeakPolarHBondContact O-CG 3.32Å; A58-K62 PolarHBondContact O-N 3.45Å
59	P	96.3	Very high	95.8	Very high	82 Å²	82	54.7 Å²	54.7	53%	0.532	28%	0.283	S	S	.	.	H	α-helix	trans	-60.2	-48.6	177.4	-24.7	35.3	0	0	0	113	K55 W61 K62 L63	K55-P59 WeakPolarHBondContact O-CD 3.47Å; P59-W61 VanDerWaalsContact C-N 3.31Å; P59-W61 PolarHBondContact O-N 2.88Å; P59-K62 PolarHBondContact O-N 3.31Å; P59-L63 PolarHBondContact O-N 3.46Å
60	D	97.5	Very high	96	Very high	51 Å²	51	57.3 Å²	57.3	27%	0.273	31%	0.313	S	S	.	.	H	α-helix	trans	-67.8	-32.7	177.9	-72.3	-26.7	0	0	0	111.6	A57 K62 L63 F64 D115 I116	A57-D60 PolarHBondContact O-N 3.19Å; D60-K62 PolarHBondContact O-N 2.98Å; D60-L63 PolarHBondContact O-N 3.12Å; D60-F64 WeakPolarHBondContact O-CB 3.34Å; D60-F64 PolarHBondContact O-N 2.76Å; D60-D115 WeakPolarHBondContact OD2-CA 3.28Å; D60-I116 HydrophobicContact CB-CB 4.39Å
61	W	98	Very high	96.2	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-64.8	-38	173.8	-164.6	-106.5	0	0	0	113	F18 F43 M45 A57 A58 P59 F64 A65 V74 A75 I97 L119	F18-W61 HydrophobicContact CE1-CB 4.14Å; F18-W61 AromaticContact CE1-CD1 3.6Å; F18-W61 HydrophobicContact CE1-CG 4.23Å; F18-W61 HydrophobicContact CZ-CB 4.25Å; F18-W61 AromaticContact CZ-CD1 3.58Å; F18-W61 HydrophobicContact CZ-CG 4.17Å; F43-W61 HydrophobicContact CB-CH2 3.87Å; F43-W61 HydrophobicContact CB-CZ2 4.25Å; F43-W61 HydrophobicContact CD1-CH2 4.48Å; M45-W61 HydrophobicContact CB-CD2 4.11Å; M45-W61 HydrophobicContact CB-CH2 4.11Å; M45-W61 HydrophobicContact CB-CZ2 3.55Å; M45-W61 HydrophobicContact CE-CB 3.93Å; M45-W61 HydrophobicContact CE-CD2 3.44Å; M45-W61 VanDerWaalsContact CE-CD2 3.44Å; M45-W61 HydrophobicContact CE-CE3 3.43Å; M45-W61 VanDerWaalsContact CE-CE3 3.43Å; M45-W61 HydrophobicContact CE-CG 3.68Å; M45-W61 HydrophobicContact CE-CZ3 4.07Å; M45-W61 HydrophobicContact SD-CD2 4.32Å; M45-W61 HydrophobicContact SD-CG 4.21Å; A57-W61 WeakPolarHBondContact O-CB 3.4Å; A57-W61 PolarHBondContact O-N 3.23Å; A58-W61 PolarHBondContact O-N 3.39Å; P59-W61 VanDerWaalsContact C-N 3.31Å; P59-W61 PolarHBondContact O-N 2.88Å; W61-F64 HydrophobicContact CD2-CD1 4.32Å; W61-F64 AromaticContact CE3-CD1 3.91Å; W61-F64 HydrophobicContact CE3-CD1 3.91Å; W61-F64 HydrophobicContact CE3-CE1 4.46Å; W61-F64 HydrophobicContact CH2-CD1 4.3Å; W61-F64 HydrophobicContact CH2-CE1 4.11Å; W61-F64 AromaticContact CZ3-CD1 3.91Å; W61-F64 HydrophobicContact CZ3-CD1 3.91Å; W61-F64 HydrophobicContact CZ3-CE1 4Å; W61-F64 PolarHBondContact O-N 2.84Å; W61-A65 PolarHBondContact O-N 3.16Å; W61-V74 HydrophobicContact CD2-CG1 4.17Å; W61-V74 VanDerWaalsContact CE2-CG1 3.48Å; W61-V74 HydrophobicContact CH2-CG1 4.43Å; W61-V74 HydrophobicContact CZ2-CG1 3.64Å; W61-A75 WeakPolarHBondContact CZ2-O 3.21Å; W61-A75 PolarHBondContact NE1-O 2.98Å; W61-I97 HydrophobicContact CE3-CD1 4.2Å; W61-I97 HydrophobicContact CH2-CB 4.45Å; W61-I97 HydrophobicContact CH2-CD1 4.14Å; W61-I97 HydrophobicContact CH2-CG1 3.94Å; W61-I97 HydrophobicContact CH2-CG2 3.65Å; W61-I97 HydrophobicContact CZ3-CD1 3.56Å; W61-I97 HydrophobicContact CZ3-CG1 3.89Å; W61-I97 HydrophobicContact CZ3-CG2 4.07Å; W61-L119 HydrophobicContact CE3-CD1 3.93Å; W61-L119 HydrophobicContact CE3-CD2 4.19Å; W61-L119 HydrophobicContact CZ3-CD1 4.34Å; W61-L119 HydrophobicContact CZ3-CD2 3.76Å
62	K	97.8	Very high	96.2	Very high	53 Å²	53	53.9 Å²	53.9	23%	0.23	30%	0.304	C	S	.	.	H	α-helix	trans	-65.7	-46.4	173.4	-69.1	174.9	-170.8	-145.2	0	110.9	L17 F18 D22 V24 A58 P59 D60 F64 A65 T66	L17-K62 WeakPolarHBondContact O-CE 3.14Å; L17-K62 PolarHBondContact O-NZ 2.96Å; F18-K62 HydrophobicContact CD1-CG 3.9Å; F18-K62 HydrophobicContact CE1-CG 3.97Å; D22-K62 HydrophobicContact CB-CG 4.43Å; D22-K62 IonicContact OD1-NZ 3.87Å; D22-K62 PolarHBondContact OD1-NZ 2.78Å; D22-K62 VanDerWaalsContact OD2-CE 3.23Å; D22-K62 WeakPolarHBondContact OD2-CE 3.05Å; D22-K62 IonicContact OD2-NZ 3.92Å; D22-K62 PolarHBondContact OD2-NZ 3.46Å; V24-K62 HydrophobicContact CG2-CG 4.22Å; A58-K62 WeakPolarHBondContact O-CG 3.32Å; A58-K62 PolarHBondContact O-N 3.45Å; P59-K62 PolarHBondContact O-N 3.31Å; D60-K62 PolarHBondContact O-N 2.98Å; K62-F64 VanDerWaalsContact C-N 3.3Å; K62-F64 PolarHBondContact O-N 2.87Å; K62-A65 WeakPolarHBondContact O-CB 3.41Å; K62-A65 PolarHBondContact O-N 3.48Å; K62-T66 PolarHBondContact O-N 2.7Å; K62-T66 PolarHBondContact O-OG1 3.32Å
63	L	97.4	Very high	96.4	Very high	80 Å²	80	54.8 Å²	54.8	42%	0.419	30%	0.296	S	S	.	.	H	α-helix	trans	-61.5	-40.3	177	-177.3	57.7	0	0	0	111.6	P59 D60 T66 N67 I116	P59-L63 PolarHBondContact O-N 3.46Å; D60-L63 PolarHBondContact O-N 3.12Å; L63-T66 PolarHBondContact O-N 2.75Å; L63-N67 WeakPolarHBondContact O-CB 3.49Å; L63-N67 VanDerWaalsContact O-CG 3.22Å; L63-N67 PolarHBondContact O-N 2.83Å; L63-N67 PolarHBondContact O-OD1 2.72Å; L63-I116 HydrophobicContact CB-CD1 4.15Å; L63-I116 HydrophobicContact CD2-CB 4.45Å; L63-I116 HydrophobicContact CD2-CD1 4.28Å; L63-I116 HydrophobicContact CD2-CG1 3.91Å; L63-I116 HydrophobicContact CG-CD1 3.98Å; L63-I116 HydrophobicContact CG-CG1 4.12Å
64	F	98.3	Very high	96.6	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-60.4	-45.1	174.2	174.1	-121.9	0	0	0	112	F43 D60 W61 K62 T66 N67 F68 I72 V74 I116 L119 A123	F43-F64 HydrophobicContact CB-CE1 3.78Å; F43-F64 HydrophobicContact CB-CZ 4.26Å; F43-F64 AromaticContact CD1-CE1 3.92Å; F43-F64 HydrophobicContact CD1-CE1 3.92Å; F43-F64 AromaticContact CD1-CZ 3.84Å; F43-F64 HydrophobicContact CD1-CZ 3.84Å; F43-F64 HydrophobicContact CD2-CZ 4.25Å; F43-F64 HydrophobicContact CE1-CZ 4.22Å; F43-F64 AromaticContact CG-CE1 3.87Å; F43-F64 HydrophobicContact CG-CE1 3.87Å; F43-F64 AromaticContact CG-CZ 3.86Å; F43-F64 HydrophobicContact CG-CZ 3.86Å; D60-F64 WeakPolarHBondContact O-CB 3.34Å; D60-F64 PolarHBondContact O-N 2.76Å; W61-F64 HydrophobicContact CD2-CD1 4.32Å; W61-F64 AromaticContact CE3-CD1 3.91Å; W61-F64 HydrophobicContact CE3-CD1 3.91Å; W61-F64 HydrophobicContact CE3-CE1 4.46Å; W61-F64 HydrophobicContact CH2-CD1 4.3Å; W61-F64 HydrophobicContact CH2-CE1 4.11Å; W61-F64 AromaticContact CZ3-CD1 3.91Å; W61-F64 HydrophobicContact CZ3-CD1 3.91Å; W61-F64 HydrophobicContact CZ3-CE1 4Å; W61-F64 PolarHBondContact O-N 2.84Å; K62-F64 VanDerWaalsContact C-N 3.3Å; K62-F64 PolarHBondContact O-N 2.87Å; F64-T66 VanDerWaalsContact C-N 3.32Å; F64-T66 PolarHBondContact O-N 2.85Å; F64-N67 PolarHBondContact O-N 3.1Å; F64-F68 AromaticContact CD2-CD2 3.6Å; F64-F68 HydrophobicContact CD2-CD2 3.6Å; F64-F68 AromaticContact CD2-CE2 3.75Å; F64-F68 HydrophobicContact CD2-CE2 3.75Å; F64-F68 AromaticContact CE2-CD2 3.44Å; F64-F68 HydrophobicContact CE2-CD2 3.44Å; F64-F68 VanDerWaalsContact CE2-CD2 3.44Å; F64-F68 AromaticContact CE2-CE2 3.5Å; F64-F68 HydrophobicContact CE2-CE2 3.5Å; F64-F68 VanDerWaalsContact CE2-CE2 3.5Å; F64-F68 HydrophobicContact CE2-CG 4.4Å; F64-F68 HydrophobicContact CE2-CZ 4.47Å; F64-F68 HydrophobicContact CZ-CD2 4.42Å; F64-F68 PolarHBondContact O-N 2.84Å; F64-I72 HydrophobicContact CE1-CD1 4.34Å; F64-I72 HydrophobicContact CE2-CD1 3.91Å; F64-I72 HydrophobicContact CZ-CD1 3.53Å; F64-V74 HydrophobicContact CD1-CB 4.43Å; F64-V74 HydrophobicContact CD1-CG1 3.73Å; F64-V74 HydrophobicContact CD1-CG2 3.78Å; F64-V74 HydrophobicContact CE1-CB 4.44Å; F64-V74 HydrophobicContact CE1-CG1 3.98Å; F64-V74 HydrophobicContact CE1-CG2 3.55Å; F64-V74 HydrophobicContact CZ-CG2 4.16Å; F64-I116 HydrophobicContact CB-CD1 3.72Å; F64-L119 HydrophobicContact CB-CB 4.45Å; F64-L119 HydrophobicContact CB-CD1 4.06Å; F64-L119 HydrophobicContact CD1-CB 4.49Å; F64-L119 HydrophobicContact CD1-CD1 4.41Å; F64-L119 HydrophobicContact CD2-CB 3.76Å; F64-L119 HydrophobicContact CE2-CB 4.06Å; F64-L119 HydrophobicContact CG-CB 3.99Å; F64-L119 HydrophobicContact CG-CD1 4.19Å; F64-A123 HydrophobicContact CE2-CB 3.61Å; F64-A123 HydrophobicContact CZ-CB 3.86Å
65	A	98	Very high	96.7	Very high	4 Å²	4	49.9 Å²	49.9	3%	0.033	27%	0.274	C	S	.	.	H	α-helix	trans	-60.3	-40.3	174.6	0	0	0	0	0	112.6	D23 V24 W61 K62 K69 V74	D23-A65 HydrophobicContact CB-CB 3.92Å; V24-A65 HydrophobicContact CG2-CB 3.62Å; W61-A65 PolarHBondContact O-N 3.16Å; K62-A65 WeakPolarHBondContact O-CB 3.41Å; K62-A65 PolarHBondContact O-N 3.48Å; A65-K69 PolarHBondContact O-N 2.97Å; A65-K69 VanDerWaalsContact O-N 3.12Å; A65-V74 HydrophobicContact CB-CB 3.69Å; A65-V74 HydrophobicContact CB-CG1 3.76Å; A65-V74 HydrophobicContact CB-CG2 4.29Å
66	T	97.7	Very high	96.9	Very high	70 Å²	70	45.1 Å²	45.1	43%	0.429	25%	0.254	S	S	.	.	H	α-helix	trans	-67.8	-44.6	175.4	-62	0	0	0	0	112.2	D23 K62 L63 F64 F68 K69	D23-T66 WeakPolarHBondContact OD2-CA 3.34Å; D23-T66 WeakPolarHBondContact OD2-CB 3.38Å; D23-T66 PolarHBondContact OD2-OG1 2.74Å; K62-T66 PolarHBondContact O-N 2.7Å; K62-T66 PolarHBondContact O-OG1 3.32Å; L63-T66 PolarHBondContact O-N 2.75Å; F64-T66 VanDerWaalsContact C-N 3.32Å; F64-T66 PolarHBondContact O-N 2.85Å; T66-F68 VanDerWaalsContact C-N 3.27Å; T66-F68 PolarHBondContact O-N 3.46Å; T66-K69 VanDerWaalsContact O-CB 3.29Å; T66-K69 WeakPolarHBondContact O-CB 3.41Å; T66-K69 PolarHBondContact O-N 2.9Å
67	N	97.7	Very high	97	Very high	74 Å²	74	39.1 Å²	39.1	40%	0.396	22%	0.222	S	C	.	.	H	α-helix	trans	-60.4	-35.1	-178.6	-75.1	-8.7	0	0	0	113.1	L63 F64 N120	L63-N67 WeakPolarHBondContact O-CB 3.49Å; L63-N67 VanDerWaalsContact O-CG 3.22Å; L63-N67 PolarHBondContact O-N 2.83Å; L63-N67 PolarHBondContact O-OD1 2.72Å; F64-N67 PolarHBondContact O-N 3.1Å; N67-N120 PolarHBondContact ND2-OD1 3.26Å
68	F	97.1	Very high	97	Very high	14 Å²	14	39.2 Å²	39.2	6%	0.061	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	17.8	179.2	-68.5	-90.5	0	0	0	113.7	F64 T66 G70 I71 I72 N120 A123 L124	F64-F68 AromaticContact CD2-CD2 3.6Å; F64-F68 HydrophobicContact CD2-CD2 3.6Å; F64-F68 AromaticContact CD2-CE2 3.75Å; F64-F68 HydrophobicContact CD2-CE2 3.75Å; F64-F68 AromaticContact CE2-CD2 3.44Å; F64-F68 HydrophobicContact CE2-CD2 3.44Å; F64-F68 VanDerWaalsContact CE2-CD2 3.44Å; F64-F68 AromaticContact CE2-CE2 3.5Å; F64-F68 HydrophobicContact CE2-CE2 3.5Å; F64-F68 VanDerWaalsContact CE2-CE2 3.5Å; F64-F68 HydrophobicContact CE2-CG 4.4Å; F64-F68 HydrophobicContact CE2-CZ 4.47Å; F64-F68 HydrophobicContact CZ-CD2 4.42Å; F64-F68 PolarHBondContact O-N 2.84Å; T66-F68 VanDerWaalsContact C-N 3.27Å; T66-F68 PolarHBondContact O-N 3.46Å; F68-G70 PolarHBondContact O-N 3.44Å; F68-G70 VanDerWaalsContact O-N 3.13Å; F68-I71 HydrophobicContact CB-CB 4.49Å; F68-I71 HydrophobicContact CD1-CB 4.4Å; F68-I71 HydrophobicContact CD1-CG2 4.3Å; F68-I71 PolarHBondContact O-N 3.09Å; F68-I72 HydrophobicContact CB-CB 4.39Å; F68-I72 HydrophobicContact CB-CD1 3.48Å; F68-I72 VanDerWaalsContact CB-CD1 3.48Å; F68-I72 HydrophobicContact CB-CG1 3.48Å; F68-I72 VanDerWaalsContact CB-CG1 3.48Å; F68-I72 HydrophobicContact CD1-CD1 3.86Å; F68-I72 HydrophobicContact CD1-CG1 4.43Å; F68-I72 HydrophobicContact CD1-CG2 4.19Å; F68-I72 HydrophobicContact CD2-CD1 3.93Å; F68-I72 HydrophobicContact CG-CD1 3.49Å; F68-I72 VanDerWaalsContact CG-CD1 3.49Å; F68-I72 HydrophobicContact CG-CG1 4.05Å; F68-I72 PolarHBondContact O-N 3.13Å; F68-I72 VanDerWaalsContact O-N 3.08Å; F68-N120 HydrophobicContact CE2-CB 4.22Å; F68-N120 WeakPolarHBondContact CE2-OD1 3.24Å; F68-N120 HydrophobicContact CZ-CB 4.44Å; F68-A123 HydrophobicContact CD1-CB 4.31Å; F68-A123 HydrophobicContact CD2-CB 4.31Å; F68-A123 HydrophobicContact CE1-CB 3.78Å; F68-A123 HydrophobicContact CE2-CB 3.79Å; F68-A123 HydrophobicContact CZ-CB 3.49Å; F68-A123 VanDerWaalsContact CZ-CB 3.49Å; F68-L124 HydrophobicContact CE1-CD2 4.04Å; F68-L124 HydrophobicContact CE1-CG 4.22Å; F68-L124 HydrophobicContact CZ-CD2 4.36Å; F68-L124 HydrophobicContact CZ-CG 4.1Å
69	K	96.1	Very high	97	Very high	141 Å²	141	39.4 Å²	39.4	61%	0.613	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55	121.4	177.4	-174.4	179	-172.2	159.3	0	110.3	D23 A65 T66 I71	D23-K69 WeakPolarHBondContact OD1-CD 3.49Å; D23-K69 WeakPolarHBondContact OD1-CE 3.1Å; D23-K69 IonicContact OD1-NZ 3.51Å; D23-K69 PolarHBondContact OD1-NZ 2.97Å; D23-K69 IonicContact OD2-NZ 3.55Å; A65-K69 PolarHBondContact O-N 2.97Å; A65-K69 VanDerWaalsContact O-N 3.12Å; T66-K69 VanDerWaalsContact O-CB 3.29Å; T66-K69 WeakPolarHBondContact O-CB 3.41Å; T66-K69 PolarHBondContact O-N 2.9Å; K69-I71 VanDerWaalsContact C-N 3.29Å; K69-I71 PolarHBondContact O-N 2.98Å
70	G	94.1	Very high	96.8	Very high	73 Å²	73	40.1 Å²	40.1	75%	0.753	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.4	-2.5	-178.5	0	0	0	0	0	115.2	F68	F68-G70 PolarHBondContact O-N 3.44Å; F68-G70 VanDerWaalsContact O-N 3.13Å
71	I	95.2	Very high	96.7	Very high	95 Å²	95	43.2 Å²	43.2	49%	0.487	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-51.9	177.7	-56.4	172.7	0	0	0	110.2	F68 K69 L127	F68-I71 HydrophobicContact CB-CB 4.49Å; F68-I71 HydrophobicContact CD1-CB 4.4Å; F68-I71 HydrophobicContact CD1-CG2 4.3Å; F68-I71 PolarHBondContact O-N 3.09Å; K69-I71 VanDerWaalsContact C-N 3.29Å; K69-I71 PolarHBondContact O-N 2.98Å; I71-L127 HydrophobicContact CG2-CD2 3.52Å
72	I	95.6	Very high	96.6	Very high	7 Å²	7	43.8 Å²	43.8	4%	0.036	24%	0.239	C	C	.	.	S	Bend	trans	-125.9	163.8	173.9	83.7	-161.4	0	0	0	109.1	L41 F43 F64 F68 V74 A123	L41-I72 HydrophobicContact CB-CG2 4.4Å; L41-I72 HydrophobicContact CD2-CG2 4.08Å; L41-I72 HydrophobicContact CG-CG2 4.5Å; F43-I72 HydrophobicContact CD2-CD1 4.04Å; F43-I72 HydrophobicContact CE2-CD1 4.33Å; F64-I72 HydrophobicContact CE1-CD1 4.34Å; F64-I72 HydrophobicContact CE2-CD1 3.91Å; F64-I72 HydrophobicContact CZ-CD1 3.53Å; F68-I72 HydrophobicContact CB-CB 4.39Å; F68-I72 HydrophobicContact CB-CD1 3.48Å; F68-I72 VanDerWaalsContact CB-CD1 3.48Å; F68-I72 HydrophobicContact CB-CG1 3.48Å; F68-I72 VanDerWaalsContact CB-CG1 3.48Å; F68-I72 HydrophobicContact CD1-CD1 3.86Å; F68-I72 HydrophobicContact CD1-CG1 4.43Å; F68-I72 HydrophobicContact CD1-CG2 4.19Å; F68-I72 HydrophobicContact CD2-CD1 3.93Å; F68-I72 HydrophobicContact CG-CD1 3.49Å; F68-I72 VanDerWaalsContact CG-CD1 3.49Å; F68-I72 HydrophobicContact CG-CG1 4.05Å; F68-I72 PolarHBondContact O-N 3.13Å; F68-I72 VanDerWaalsContact O-N 3.08Å; I72-V74 HydrophobicContact CD1-CG2 4.03Å; I72-V74 HydrophobicContact CG1-CG2 3.8Å; I72-A123 HydrophobicContact CD1-CB 3.68Å
73	K	97.3	Very high	96.4	Very high	59 Å²	59	44.7 Å²	44.7	26%	0.257	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	118.1	176	-64.9	-70.9	177.6	-174.5	0	110	I25 E40 L41 W42 F43	I25-K73 HydrophobicContact CD1-CB 4.32Å; I25-K73 HydrophobicContact CD1-CD 3.64Å; E40-K73 HydrophobicContact CB-CG 3.89Å; E40-K73 HydrophobicContact CG-CG 4.43Å; E40-K73 WeakPolarHBondContact OE1-CE 3.36Å; E40-K73 IonicContact OE1-NZ 2.66Å; E40-K73 PolarHBondContact OE1-NZ 2.89Å; E40-K73 WeakPolarHBondContact OE2-CE 3.38Å; L41-K73 PolarHBondContact O-N 3.35Å; W42-K73 CarbonylContact C-O 3.53Å; W42-K73 VanDerWaalsContact CA-O 3.25Å; W42-K73 WeakPolarHBondContact CA-O 3.45Å; W42-K73 HydrophobicContact CD2-CB 3.31Å; W42-K73 HydrophobicContact CD2-CG 4.02Å; W42-K73 HydrophobicContact CE3-CB 3.33Å; W42-K73 HydrophobicContact CE3-CG 4.27Å; W42-K73 HydrophobicContact CG-CB 3.89Å; W42-K73 HydrophobicContact CH2-CB 3.71Å; W42-K73 HydrophobicContact CH2-CD 4.02Å; W42-K73 HydrophobicContact CH2-CG 3.8Å; W42-K73 HydrophobicContact CZ2-CB 3.74Å; W42-K73 HydrophobicContact CZ2-CD 4.15Å; W42-K73 HydrophobicContact CZ2-CG 3.56Å; W42-K73 HydrophobicContact CZ3-CB 3.54Å; W42-K73 HydrophobicContact CZ3-CG 4.18Å; F43-K73 PolarHBondContact N-O 2.86Å
74	V	98	Very high	96.1	Very high	5 Å²	5	45.6 Å²	45.6	3%	0.03	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	126.1	177.3	-176.4	0	0	0	0	108.5	I25 F43 W61 F64 A65 I72	I25-V74 PolarHBondContact N-O 3.16Å; F43-V74 WeakPolarHBondContact O-CA 3.27Å; W61-V74 HydrophobicContact CD2-CG1 4.17Å; W61-V74 VanDerWaalsContact CE2-CG1 3.48Å; W61-V74 HydrophobicContact CH2-CG1 4.43Å; W61-V74 HydrophobicContact CZ2-CG1 3.64Å; F64-V74 HydrophobicContact CD1-CB 4.43Å; F64-V74 HydrophobicContact CD1-CG1 3.73Å; F64-V74 HydrophobicContact CD1-CG2 3.78Å; F64-V74 HydrophobicContact CE1-CB 4.44Å; F64-V74 HydrophobicContact CE1-CG1 3.98Å; F64-V74 HydrophobicContact CE1-CG2 3.55Å; F64-V74 HydrophobicContact CZ-CG2 4.16Å; A65-V74 HydrophobicContact CB-CB 3.69Å; A65-V74 HydrophobicContact CB-CG1 3.76Å; A65-V74 HydrophobicContact CB-CG2 4.29Å; I72-V74 HydrophobicContact CD1-CG2 4.03Å; I72-V74 HydrophobicContact CG1-CG2 3.8Å
75	A	97.7	Very high	95.8	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	163.3	-173	0	0	0	0	0	112.3	I25 L27 W42 F43 I44 M45 W61	I25-A75 HydrophobicContact CB-CB 4.04Å; I25-A75 CarbonylContact O-C 3.48Å; I25-A75 WeakPolarHBondContact O-CA 3.39Å; I25-A75 VanDerWaalsContact O-CB 3.25Å; I25-A75 WeakPolarHBondContact O-CB 3.38Å; L27-A75 HydrophobicContact CD1-CB 3.55Å; L27-A75 HydrophobicContact CG-CB 3.86Å; W42-A75 HydrophobicContact CE3-CB 4.16Å; W42-A75 HydrophobicContact CZ3-CB 4.21Å; F43-A75 PolarHBondContact O-N 3.5Å; I44-A75 WeakPolarHBondContact CA-O 3.34Å; I44-A75 HydrophobicContact CG1-CB 4.22Å; I44-A75 HydrophobicContact CG2-CB 4.34Å; M45-A75 PolarHBondContact N-O 3.28Å; W61-A75 WeakPolarHBondContact CZ2-O 3.21Å; W61-A75 PolarHBondContact NE1-O 2.98Å
76	A	97.8	Very high	95.6	Very high	3 Å²	3	46.3 Å²	46.3	3%	0.025	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	142.4	173.6	0	0	0	0	0	111.5	F18 V24 I25 L27 M45 Y47	F18-A76 HydrophobicContact CD2-CB 3.45Å; F18-A76 VanDerWaalsContact CD2-CB 3.45Å; F18-A76 HydrophobicContact CE2-CB 3.53Å; F18-A76 HydrophobicContact CG-CB 4.19Å; F18-A76 HydrophobicContact CZ-CB 4.32Å; V24-A76 HydrophobicContact CG1-CB 3.62Å; I25-A76 PolarHBondContact O-N 3.44Å; L27-A76 PolarHBondContact N-O 3.03Å; M45-A76 CarbonylContact O-C 3.59Å; M45-A76 VanDerWaalsContact O-CA 3.26Å; M45-A76 WeakPolarHBondContact O-CA 3.01Å; Y47-A76 HydrophobicContact CD1-CB 4.11Å; Y47-A76 HydrophobicContact CE1-CB 3.95Å
77	V	97.3	Very high	95.2	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	118	174.1	176.8	0	0	0	0	108.3	L27 F32 I44 M45 F46 Y47 S79 N82 V85	L27-V77 HydrophobicContact CB-CG2 3.69Å; F32-V77 HydrophobicContact CD2-CG2 4.22Å; F32-V77 HydrophobicContact CE2-CG2 4.16Å; I44-V77 HydrophobicContact CG2-CG2 3.87Å; M45-V77 PolarHBondContact O-N 3.14Å; F46-V77 HydrophobicContact CD1-CB 3.74Å; F46-V77 HydrophobicContact CD1-CG1 3.82Å; F46-V77 HydrophobicContact CD1-CG2 4.2Å; F46-V77 HydrophobicContact CE1-CB 3.96Å; F46-V77 HydrophobicContact CE1-CG1 3.96Å; F46-V77 HydrophobicContact CE1-CG2 3.93Å; F46-V77 HydrophobicContact CG-CB 4.29Å; F46-V77 HydrophobicContact CZ-CG2 4.24Å; Y47-V77 WeakPolarHBondContact CD1-O 3.31Å; Y47-V77 PolarHBondContact N-O 3.24Å; V77-S79 PolarHBondContact O-N 3.23Å; V77-N82 HydrophobicContact CG1-CB 3.9Å; V77-V85 HydrophobicContact CG1-CG1 3.64Å; V77-V85 HydrophobicContact CG2-CG1 4.48Å
78	D	96.3	Very high	94.8	Very high	7 Å²	7	51.6 Å²	51.6	4%	0.037	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	106.7	166.7	-174.3	-14.5	0	0	0	108.8	Y47 E80 N81 N82	Y47-D78 HydrophobicContact CE1-CB 4.01Å; Y47-D78 HydrophobicContact CE2-CB 4.3Å; D78-E80 VanDerWaalsContact C-N 3.26Å; D78-E80 PolarHBondContact O-N 3.29Å; D78-E80 PolarHBondContact OD1-N 3.44Å; D78-E80 VanDerWaalsContact OD1-N 3.11Å; D78-N81 HydrophobicContact CB-CB 4.37Å; D78-N81 PolarHBondContact O-N 3.08Å; D78-N81 PolarHBondContact OD2-ND2 2.84Å; D78-N82 WeakPolarHBondContact O-CB 3.45Å; D78-N82 PolarHBondContact O-N 2.93Å; D78-N82 PolarHBondContact O-ND2 3.35Å
79	S	96	Very high	94.4	Very high	10 Å²	10	52.6 Å²	52.6	7%	0.07	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-18.4	-172.9	-64.9	0	0	0	0	113.7	Y47 V77 T86 F94	Y47-S79 VanDerWaalsContact O-CB 3.24Å; Y47-S79 WeakPolarHBondContact O-CB 3.35Å; Y47-S79 PolarHBondContact O-N 3.41Å; Y47-S79 PolarHBondContact O-OG 2.69Å; V77-S79 PolarHBondContact O-N 3.23Å; S79-T86 WeakPolarHBondContact CA-OG1 3.24Å; S79-T86 WeakPolarHBondContact CB-OG1 3.38Å; S79-T86 PolarHBondContact OG-OG1 2.79Å; S79-F94 VanDerWaalsContact OG-CE1 3.23Å; S79-F94 WeakPolarHBondContact OG-CE1 3.36Å
80	E	92.4	Very high	94	Very high	96 Å²	96	47.4 Å²	47.4	45%	0.449	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-33.4	175.4	-60.4	-176	91	0	0	111.1	A48 S49 W50 D78	A48-E80 HydrophobicContact CB-CG 4.07Å; S49-E80 PolarHBondContact N-OE2 3.24Å; W50-E80 VanDerWaalsContact NE1-CD 3.3Å; W50-E80 PolarHBondContact NE1-OE1 2.65Å; D78-E80 VanDerWaalsContact C-N 3.26Å; D78-E80 PolarHBondContact O-N 3.29Å; D78-E80 PolarHBondContact OD1-N 3.44Å; D78-E80 VanDerWaalsContact OD1-N 3.11Å
81	N	94.6	Very high	93.7	Very high	116 Å²	116	44.9 Å²	44.9	62%	0.62	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-10.7	-177.8	-71.1	-47.5	0	0	0	113.5	D78	D78-N81 HydrophobicContact CB-CB 4.37Å; D78-N81 PolarHBondContact O-N 3.08Å; D78-N81 PolarHBondContact OD2-ND2 2.84Å
82	N	96.1	Very high	93.4	Very high	12 Å²	12	48.9 Å²	48.9	6%	0.064	25%	0.245	C	C	.	.			trans	-135	62.9	-175	-56.1	-80.2	0	0	0	111.2	T28 D29 V77 D78 T84 V85 T86	T28-N82 WeakPolarHBondContact CA-OD1 3.47Å; T28-N82 WeakPolarHBondContact CB-OD1 3.24Å; D29-N82 PolarHBondContact N-OD1 3.04Å; D29-N82 VanDerWaalsContact OD1-C 3.3Å; D29-N82 WeakPolarHBondContact OD1-CA 3.4Å; D29-N82 WeakPolarHBondContact OD1-CB 3.39Å; D29-N82 WeakPolarHBondContact OD2-CA 3.46Å; V77-N82 HydrophobicContact CG1-CB 3.9Å; D78-N82 WeakPolarHBondContact O-CB 3.45Å; D78-N82 PolarHBondContact O-N 2.93Å; D78-N82 PolarHBondContact O-ND2 3.35Å; N82-T84 VanDerWaalsContact C-N 3.28Å; N82-T84 PolarHBondContact O-N 3.34Å; N82-V85 HydrophobicContact CB-CG1 3.97Å; N82-T86 WeakPolarHBondContact O-CB 3.5Å; N82-T86 PolarHBondContact O-N 2.84Å; N82-T86 PolarHBondContact O-OG1 2.93Å; N82-T86 VanDerWaalsContact O-OG1 3.07Å
83	P	93.2	Very high	93.2	Very high	73 Å²	73	50.1 Å²	50.1	47%	0.474	26%	0.26	S	S	.	.	H	α-helix	trans	-66.4	-29.1	-173.6	27.8	-35.9	0	0	0	112.9	D29 T86 Q87	D29-P83 WeakPolarHBondContact OD2-CD 3.42Å; P83-T86 PolarHBondContact O-N 3.32Å; P83-Q87 WeakPolarHBondContact O-CB 3.2Å; P83-Q87 PolarHBondContact O-N 3.25Å
84	T	91.8	Very high	93.1	Very high	98 Å²	98	49.6 Å²	49.6	60%	0.601	26%	0.258	S	S	*	.	H	α-helix	trans	-64.7	-51	-174.1	-46.3	0	0	0	0	110.5	D29 N82 Q87 R88	D29-T84 WeakPolarHBondContact OD1-CB 3.32Å; D29-T84 PolarHBondContact OD1-N 3.49Å; D29-T84 WeakPolarHBondContact OD2-CB 3.35Å; D29-T84 PolarHBondContact OD2-N 3.08Å; D29-T84 PolarHBondContact OD2-OG1 3.41Å; N82-T84 VanDerWaalsContact C-N 3.28Å; N82-T84 PolarHBondContact O-N 3.34Å; T84-Q87 PolarHBondContact O-N 3.39Å; T84-R88 WeakPolarHBondContact O-CB 3.39Å; T84-R88 PolarHBondContact O-N 3.33Å
85	V	92.6	Very high	93	Very high	7 Å²	7	50.1 Å²	50.1	4%	0.042	26%	0.261	C	S	.	.	H	α-helix	trans	-70.9	-37.2	179	72.3	0	0	0	0	111.8	D29 F32 F46 V77 N82 Q87 R88 F89	D29-V85 WeakPolarHBondContact OD1-CB 3.28Å; D29-V85 VanDerWaalsContact OD1-CG1 3.27Å; D29-V85 WeakPolarHBondContact OD1-CG1 3.38Å; D29-V85 PolarHBondContact OD1-N 3.36Å; F32-V85 HydrophobicContact CB-CG2 4.17Å; F32-V85 HydrophobicContact CD1-CG2 3.78Å; F32-V85 HydrophobicContact CD2-CG2 3.5Å; F32-V85 HydrophobicContact CE1-CG2 3.95Å; F32-V85 HydrophobicContact CE2-CG2 3.69Å; F32-V85 HydrophobicContact CG-CG2 3.55Å; F32-V85 HydrophobicContact CZ-CG2 3.92Å; F46-V85 HydrophobicContact CE1-CG1 4.22Å; F46-V85 HydrophobicContact CE1-CG2 4.29Å; F46-V85 HydrophobicContact CZ-CG2 4.49Å; V77-V85 HydrophobicContact CG1-CG1 3.64Å; V77-V85 HydrophobicContact CG2-CG1 4.48Å; N82-V85 HydrophobicContact CB-CG1 3.97Å; V85-Q87 VanDerWaalsContact C-N 3.33Å; V85-Q87 PolarHBondContact O-N 2.84Å; V85-R88 WeakPolarHBondContact O-CB 3.41Å; V85-R88 PolarHBondContact O-N 3.28Å; V85-F89 HydrophobicContact CG2-CD2 3.99Å; V85-F89 HydrophobicContact CG2-CE2 3.74Å; V85-F89 VanDerWaalsContact O-CD2 3.3Å; V85-F89 WeakPolarHBondContact O-CD2 3.46Å; V85-F89 PolarHBondContact O-N 3.31Å
86	T	93.3	Very high	92.9	Very high	13 Å²	13	52 Å²	52	8%	0.08	27%	0.273	C	S	.	.	H	α-helix	trans	-61.5	-42.6	175.9	-67.3	0	0	0	0	111.5	S79 N82 P83 S90 V91	S79-T86 WeakPolarHBondContact CA-OG1 3.24Å; S79-T86 WeakPolarHBondContact CB-OG1 3.38Å; S79-T86 PolarHBondContact OG-OG1 2.79Å; N82-T86 WeakPolarHBondContact O-CB 3.5Å; N82-T86 PolarHBondContact O-N 2.84Å; N82-T86 PolarHBondContact O-OG1 2.93Å; N82-T86 VanDerWaalsContact O-OG1 3.07Å; P83-T86 PolarHBondContact O-N 3.32Å; T86-S90 PolarHBondContact O-N 3.43Å; T86-S90 VanDerWaalsContact O-N 3.15Å; T86-V91 HydrophobicContact CG2-CB 3.84Å; T86-V91 HydrophobicContact CG2-CG1 4.35Å; T86-V91 PolarHBondContact O-N 2.76Å; T86-V91 VanDerWaalsContact O-N 3.15Å
87	Q	89.6	Confident	92.9	Very high	150 Å²	150	52.2 Å²	52.2	70%	0.701	27%	0.273	S	S	*	.	H	α-helix	trans	-69.7	-39.9	176.6	-174.6	170.4	10.2	0	0	111.9	P83 T84 V85 F89 S90	P83-Q87 WeakPolarHBondContact O-CB 3.2Å; P83-Q87 PolarHBondContact O-N 3.25Å; T84-Q87 PolarHBondContact O-N 3.39Å; V85-Q87 VanDerWaalsContact C-N 3.33Å; V85-Q87 PolarHBondContact O-N 2.84Å; Q87-F89 PolarHBondContact O-N 2.89Å; Q87-S90 WeakPolarHBondContact O-CA 3.43Å; Q87-S90 PolarHBondContact O-N 3.38Å; Q87-S90 PolarHBondContact O-OG 2.94Å
88	R	88.7	Confident	92.8	Very high	105 Å²	105	52.9 Å²	52.9	40%	0.396	28%	0.277	S	S	.	.	H	α-helix	trans	-51.4	-43.3	176	177.8	179.6	175.4	-179.6	-6	112	D33 T84 V85	D33-R88 VanDerWaalsContact CG-NH1 3.34Å; D33-R88 IonicContact OD1-CZ 3.16Å; D33-R88 IonicContact OD1-NH1 3.78Å; D33-R88 PolarHBondContact OD1-NH1 2.87Å; D33-R88 IonicContact OD1-NH2 3.96Å; D33-R88 IonicContact OD2-NH1 3.83Å; D33-R88 PolarHBondContact OD2-NH1 2.92Å; T84-R88 WeakPolarHBondContact O-CB 3.39Å; T84-R88 PolarHBondContact O-N 3.33Å; V85-R88 WeakPolarHBondContact O-CB 3.41Å; V85-R88 PolarHBondContact O-N 3.28Å
89	F	87.9	Confident	92.7	Very high	35 Å²	35	52.7 Å²	52.7	15%	0.154	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	7	177.6	-61	-70.4	0	0	0	114.2	F32 F46 V85 Q87 V91 L98 F100 P107	F32-F89 HydrophobicContact CD1-CE2 4.41Å; F32-F89 AromaticContact CE1-CE2 3.46Å; F32-F89 HydrophobicContact CE1-CE2 3.46Å; F32-F89 VanDerWaalsContact CE1-CE2 3.46Å; F32-F89 AromaticContact CE1-CZ 3.75Å; F32-F89 HydrophobicContact CE1-CZ 3.75Å; F32-F89 HydrophobicContact CE2-CE2 4.39Å; F32-F89 HydrophobicContact CZ-CD2 4.36Å; F32-F89 AromaticContact CZ-CE2 3.46Å; F32-F89 HydrophobicContact CZ-CE2 3.46Å; F32-F89 VanDerWaalsContact CZ-CE2 3.46Å; F32-F89 AromaticContact CZ-CZ 3.99Å; F32-F89 HydrophobicContact CZ-CZ 3.99Å; F46-F89 HydrophobicContact CE1-CD2 4.28Å; F46-F89 AromaticContact CZ-CD2 3.69Å; F46-F89 HydrophobicContact CZ-CD2 3.69Å; F46-F89 HydrophobicContact CZ-CE2 4.37Å; F46-F89 HydrophobicContact CZ-CG 4.4Å; V85-F89 HydrophobicContact CG2-CD2 3.99Å; V85-F89 HydrophobicContact CG2-CE2 3.74Å; V85-F89 VanDerWaalsContact O-CD2 3.3Å; V85-F89 WeakPolarHBondContact O-CD2 3.46Å; V85-F89 PolarHBondContact O-N 3.31Å; Q87-F89 PolarHBondContact O-N 2.89Å; F89-V91 VanDerWaalsContact C-N 3.27Å; F89-V91 HydrophobicContact CB-CG2 4.37Å; F89-V91 PolarHBondContact O-N 3.18Å; F89-L98 HydrophobicContact CB-CD1 3.64Å; F89-L98 HydrophobicContact CD1-CD1 4.06Å; F89-L98 HydrophobicContact CG-CD1 3.83Å; F89-F100 HydrophobicContact CD1-CZ 4.44Å; F89-F100 AromaticContact CE1-CE1 3.83Å; F89-F100 HydrophobicContact CE1-CE1 3.83Å; F89-F100 AromaticContact CE1-CZ 3.96Å; F89-F100 HydrophobicContact CE1-CZ 3.96Å; F89-F100 HydrophobicContact CE2-CE1 4.41Å; F89-F100 HydrophobicContact CE2-CZ 4.15Å; F89-F100 AromaticContact CZ-CE1 3.66Å; F89-F100 HydrophobicContact CZ-CE1 3.66Å; F89-F100 AromaticContact CZ-CZ 3.79Å; F89-F100 HydrophobicContact CZ-CZ 3.79Å; F89-P107 HydrophobicContact CD1-CG 3.78Å; F89-P107 HydrophobicContact CE1-CG 3.68Å
90	S	87.6	Confident	92.6	Very high	32 Å²	32	52.2 Å²	52.2	22%	0.224	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.1	48.1	176.6	-69.8	0	0	0	0	113.5	T86 Q87 K92 W175	T86-S90 PolarHBondContact O-N 3.43Å; T86-S90 VanDerWaalsContact O-N 3.15Å; Q87-S90 WeakPolarHBondContact O-CA 3.43Å; Q87-S90 PolarHBondContact O-N 3.38Å; Q87-S90 PolarHBondContact O-OG 2.94Å; S90-K92 WeakPolarHBondContact O-CG 3.43Å; S90-K92 PolarHBondContact O-N 2.85Å; S90-W175 WeakPolarHBondContact OG-CB 3.44Å
91	V	89.8	Confident	92.4	Very high	20 Å²	20	48.7 Å²	48.7	12%	0.121	26%	0.262	C	S	.	.			trans	-69.2	114.5	174.8	174.4	0	0	0	0	108.9	F46 T86 F89 G93 F94 T96	F46-V91 HydrophobicContact CB-CB 4.44Å; F46-V91 HydrophobicContact CB-CG1 3.9Å; F46-V91 HydrophobicContact CB-CG2 3.91Å; F46-V91 HydrophobicContact CD1-CG2 3.86Å; F46-V91 HydrophobicContact CD2-CG2 4.02Å; F46-V91 HydrophobicContact CE1-CG2 4.37Å; F46-V91 HydrophobicContact CG-CG2 3.66Å; T86-V91 HydrophobicContact CG2-CB 3.84Å; T86-V91 HydrophobicContact CG2-CG1 4.35Å; T86-V91 PolarHBondContact O-N 2.76Å; T86-V91 VanDerWaalsContact O-N 3.15Å; F89-V91 VanDerWaalsContact C-N 3.27Å; F89-V91 HydrophobicContact CB-CG2 4.37Å; F89-V91 PolarHBondContact O-N 3.18Å; V91-G93 WeakPolarHBondContact CG1-O 3.37Å; V91-F94 HydrophobicContact CG1-CD1 3.96Å; V91-F94 HydrophobicContact CG1-CE1 3.55Å; V91-F94 HydrophobicContact CG1-CZ 4.43Å; V91-T96 HydrophobicContact CG1-CG2 4.45Å; V91-T96 HydrophobicContact CG2-CG2 4.26Å
92	K	87.5	Confident	91.8	Very high	178 Å²	178	46.8 Å²	46.8	77%	0.774	25%	0.252	S	S	*	.			trans	-103.9	-4.9	-176.2	-62.5	-173.9	-177.7	-177.4	0	114.2	S90	S90-K92 WeakPolarHBondContact O-CG 3.43Å; S90-K92 PolarHBondContact O-N 2.85Å
93	G	91	Very high	91	Very high	33 Å²	33	48.2 Å²	48.2	34%	0.34	26%	0.259	S	S	.	.	S	Bend	trans	-162.1	161.6	-176.3	0	0	0	0	0	111.4	V91 T96	V91-G93 WeakPolarHBondContact CG1-O 3.37Å; G93-T96 PolarHBondContact O-OG1 2.98Å
94	F	95.3	Very high	90.5	Very high	48 Å²	48	46 Å²	46	21%	0.211	24%	0.242	C	C	.	.	S	Bend	trans	-126.9	144.4	-172.2	-54.1	-63.4	0	0	0	112.4	A48 W50 C51 S79 V91	A48-F94 HydrophobicContact CB-CB 4.45Å; A48-F94 HydrophobicContact CB-CD2 3.49Å; A48-F94 VanDerWaalsContact CB-CD2 3.49Å; A48-F94 HydrophobicContact CB-CE2 3.77Å; A48-F94 HydrophobicContact CB-CG 3.9Å; A48-F94 HydrophobicContact CB-CZ 4.39Å; W50-F94 HydrophobicContact CZ2-CD2 4.39Å; W50-F94 HydrophobicContact CZ2-CE2 4.43Å; C51-F94 HydrophobicContact CB-CB 4.06Å; C51-F94 PolarHBondContact SG-O 3.44Å; C51-F94 VanDerWaalsContact SG-O 3.33Å; S79-F94 VanDerWaalsContact OG-CE1 3.23Å; S79-F94 WeakPolarHBondContact OG-CE1 3.36Å; V91-F94 HydrophobicContact CG1-CD1 3.96Å; V91-F94 HydrophobicContact CG1-CE1 3.55Å; V91-F94 HydrophobicContact CG1-CZ 4.43Å
95	P	96.2	Very high	89.7	Confident	16 Å²	16	44.4 Å²	44.4	10%	0.104	23%	0.23	C	C	.	.	S	Bend	cis	-68.2	145.6	-17.2	30.2	-35	0	0	0	111.1	M45 F46 S54 A57	M45-P95 HydrophobicContact CE-CB 4.15Å; M45-P95 HydrophobicContact CG-CB 3.71Å; M45-P95 HydrophobicContact SD-CB 3.81Å; F46-P95 CarbonylContact O-C 3.58Å; F46-P95 VanDerWaalsContact O-CA 3.23Å; F46-P95 WeakPolarHBondContact O-CA 3.44Å; S54-P95 WeakPolarHBondContact OG-CD 3.4Å; A57-P95 HydrophobicContact CB-CG 4.21Å
96	T	96.7	Very high	89	Confident	39 Å²	39	46.4 Å²	46.4	24%	0.239	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	129.2	163.5	-70.2	0	0	0	0	107.7	F46 V91 G93 L98	F46-T96 PolarHBondContact N-O 3.28Å; F46-T96 PolarHBondContact O-N 2.85Å; V91-T96 HydrophobicContact CG1-CG2 4.45Å; V91-T96 HydrophobicContact CG2-CG2 4.26Å; G93-T96 PolarHBondContact O-OG1 2.98Å; T96-L98 HydrophobicContact CG2-CD2 4.31Å; T96-L98 HydrophobicContact CG2-CG 4.42Å
97	I	97	Very high	88.8	Confident	8 Å²	8	47 Å²	47	4%	0.041	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	131.5	178.9	-64.6	158	0	0	0	108.8	F43 I44 M45 W61 Y110 L119	F43-I97 HydrophobicContact CD1-CG2 4.35Å; I44-I97 WeakPolarHBondContact O-CA 3.18Å; M45-I97 HydrophobicContact CB-CG1 4.12Å; M45-I97 HydrophobicContact CE-CD1 3.9Å; M45-I97 HydrophobicContact CE-CG1 4.09Å; M45-I97 HydrophobicContact CG-CG1 4.17Å; W61-I97 HydrophobicContact CE3-CD1 4.2Å; W61-I97 HydrophobicContact CH2-CB 4.45Å; W61-I97 HydrophobicContact CH2-CD1 4.14Å; W61-I97 HydrophobicContact CH2-CG1 3.94Å; W61-I97 HydrophobicContact CH2-CG2 3.65Å; W61-I97 HydrophobicContact CZ3-CD1 3.56Å; W61-I97 HydrophobicContact CZ3-CG1 3.89Å; W61-I97 HydrophobicContact CZ3-CG2 4.07Å; I97-Y110 HydrophobicContact CB-CD1 4.01Å; I97-Y110 HydrophobicContact CB-CG 4.32Å; I97-Y110 HydrophobicContact CD1-CD1 3.75Å; I97-Y110 HydrophobicContact CD1-CE1 4.18Å; I97-Y110 HydrophobicContact CG2-CD1 4.14Å; I97-Y110 HydrophobicContact CG2-CG 4.12Å; I97-Y110 PolarHBondContact O-N 2.96Å; I97-L119 HydrophobicContact CD1-CD2 4.36Å
98	L	95.4	Very high	88.6	Confident	15 Å²	15	44.9 Å²	44.9	8%	0.079	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	136.4	176.3	-66.7	-174.1	0	0	0	110.3	I44 F46 F89 T96 F100 P107 K108 P109	I44-L98 PolarHBondContact N-O 2.87Å; I44-L98 PolarHBondContact O-N 3.45Å; F46-L98 HydrophobicContact CD2-CD1 4.39Å; F46-L98 HydrophobicContact CD2-CG 4.44Å; F46-L98 HydrophobicContact CE2-CB 4.37Å; F46-L98 HydrophobicContact CE2-CD1 3.77Å; F46-L98 HydrophobicContact CE2-CG 4.16Å; F46-L98 HydrophobicContact CZ-CD1 4.45Å; F89-L98 HydrophobicContact CB-CD1 3.64Å; F89-L98 HydrophobicContact CD1-CD1 4.06Å; F89-L98 HydrophobicContact CG-CD1 3.83Å; T96-L98 HydrophobicContact CG2-CD2 4.31Å; T96-L98 HydrophobicContact CG2-CG 4.42Å; L98-F100 HydrophobicContact CB-CD2 4.3Å; L98-F100 HydrophobicContact CB-CE2 3.54Å; L98-F100 HydrophobicContact CB-CZ 4.22Å; L98-F100 HydrophobicContact CD1-CE2 4.43Å; L98-F100 HydrophobicContact CD1-CZ 4.3Å; L98-P107 HydrophobicContact CB-CB 4.13Å; L98-P107 HydrophobicContact CD1-CB 4.43Å; L98-P107 HydrophobicContact CD1-CG 4.2Å; L98-K108 WeakPolarHBondContact CA-O 3.43Å; L98-P109 HydrophobicContact CD2-CB 4.29Å
99	I	94.6	Very high	88.6	Confident	3 Å²	3	44.2 Å²	44.2	2%	0.015	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	118.8	179.5	-50.7	175.5	0	0	0	108.5	L41 W42 F43 P107 K108 Y110 E122 E126	L41-I99 HydrophobicContact CD1-CG2 3.78Å; W42-I99 CarbonylContact O-C 3.54Å; W42-I99 VanDerWaalsContact O-CA 3.31Å; W42-I99 WeakPolarHBondContact O-CA 3.36Å; F43-I99 HydrophobicContact CD1-CD1 4.33Å; F43-I99 HydrophobicContact CD1-CG1 3.91Å; F43-I99 HydrophobicContact CD2-CG2 4.22Å; F43-I99 HydrophobicContact CE1-CD1 3.52Å; F43-I99 HydrophobicContact CE1-CG1 3.6Å; F43-I99 HydrophobicContact CE1-CG2 4.49Å; F43-I99 HydrophobicContact CE2-CG1 4.41Å; F43-I99 HydrophobicContact CE2-CG2 3.78Å; F43-I99 HydrophobicContact CG-CG1 4.44Å; F43-I99 HydrophobicContact CZ-CD1 3.64Å; F43-I99 HydrophobicContact CZ-CG1 3.87Å; F43-I99 HydrophobicContact CZ-CG2 3.93Å; I99-P107 CarbonylContact O-C 3.58Å; I99-P107 VanDerWaalsContact O-CA 3.26Å; I99-P107 WeakPolarHBondContact O-CA 3.45Å; I99-K108 PolarHBondContact N-O 3.14Å; I99-K108 PolarHBondContact O-N 2.78Å; I99-Y110 HydrophobicContact CD1-CD2 4.16Å; I99-E122 HydrophobicContact CD1-CG 3.93Å; I99-E126 HydrophobicContact CD1-CG 4.19Å; I99-E126 HydrophobicContact CG2-CG 4.2Å
100	F	93.2	Very high	88.7	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	108	178.8	-58.8	-114.7	0	0	0	109.5	F32 I36 W42 I44 F89 L98 K104 P107	F32-F100 HydrophobicContact CE1-CE1 4.45Å; F32-F100 HydrophobicContact CZ-CE1 4.19Å; F32-F100 AromaticContact CZ-CZ 3.85Å; F32-F100 HydrophobicContact CZ-CZ 3.85Å; I36-F100 HydrophobicContact CD1-CD1 3.93Å; I36-F100 HydrophobicContact CD1-CE1 3.96Å; W42-F100 HydrophobicContact CB-CB 4.09Å; W42-F100 PolarHBondContact N-O 2.79Å; W42-F100 PolarHBondContact O-N 3.34Å; I44-F100 HydrophobicContact CB-CE2 4.08Å; I44-F100 HydrophobicContact CD1-CD2 3.6Å; I44-F100 HydrophobicContact CD1-CE2 3.41Å; I44-F100 VanDerWaalsContact CD1-CE2 3.41Å; I44-F100 HydrophobicContact CD1-CG 4.37Å; I44-F100 HydrophobicContact CD1-CZ 4.04Å; I44-F100 HydrophobicContact CG1-CD2 3.84Å; I44-F100 HydrophobicContact CG1-CE2 3.79Å; F89-F100 HydrophobicContact CD1-CZ 4.44Å; F89-F100 AromaticContact CE1-CE1 3.83Å; F89-F100 HydrophobicContact CE1-CE1 3.83Å; F89-F100 AromaticContact CE1-CZ 3.96Å; F89-F100 HydrophobicContact CE1-CZ 3.96Å; F89-F100 HydrophobicContact CE2-CE1 4.41Å; F89-F100 HydrophobicContact CE2-CZ 4.15Å; F89-F100 AromaticContact CZ-CE1 3.66Å; F89-F100 HydrophobicContact CZ-CE1 3.66Å; F89-F100 AromaticContact CZ-CZ 3.79Å; F89-F100 HydrophobicContact CZ-CZ 3.79Å; L98-F100 HydrophobicContact CB-CD2 4.3Å; L98-F100 HydrophobicContact CB-CE2 3.54Å; L98-F100 HydrophobicContact CB-CZ 4.22Å; L98-F100 HydrophobicContact CD1-CE2 4.43Å; L98-F100 HydrophobicContact CD1-CZ 4.3Å; F100-K104 HydrophobicContact CB-CD 3.89Å; F100-K104 HydrophobicContact CD1-CD 4.49Å; F100-K104 VanDerWaalsContact CD1-O 3.3Å; F100-K104 WeakPolarHBondContact CD1-O 3.37Å; F100-P107 HydrophobicContact CD1-CB 3.69Å; F100-P107 HydrophobicContact CD1-CG 4.15Å; F100-P107 HydrophobicContact CD2-CB 3.87Å; F100-P107 HydrophobicContact CE1-CB 3.56Å; F100-P107 HydrophobicContact CE1-CG 3.6Å; F100-P107 HydrophobicContact CE2-CB 3.72Å; F100-P107 HydrophobicContact CE2-CG 4.35Å; F100-P107 HydrophobicContact CG-CB 3.83Å; F100-P107 HydrophobicContact CZ-CB 3.56Å; F100-P107 HydrophobicContact CZ-CG 3.7Å
101	G	88.8	Confident	88.6	Confident	21 Å²	21	48.5 Å²	48.5	22%	0.216	27%	0.271	C	S	.	.			trans	-80.8	-148.2	173.7	0	0	0	0	0	112.3	N103 K104	G101-N103 VanDerWaalsContact C-N 3.34Å; G101-N103 PolarHBondContact O-N 2.82Å; G101-K104 PolarHBondContact O-NZ 2.97Å
102	D	81	Confident	88.4	Confident	77 Å²	77	49.3 Å²	49.3	41%	0.412	28%	0.283	S	S	.	.	S	Bend	trans	-59.9	-41.8	178.8	-85.6	-26.7	0	0	0	112.5	K104 L130 R134	D102-K104 PolarHBondContact O-N 3.41Å; D102-L130 HydrophobicContact CB-CD1 4.36Å; D102-L130 VanDerWaalsContact CG-CD1 3.49Å; D102-L130 VanDerWaalsContact OD2-CD1 3.3Å; D102-L130 WeakPolarHBondContact OD2-CD1 3.48Å; D102-R134 IonicContact OD1-CZ 3.56Å; D102-R134 IonicContact OD1-NE 2.67Å; D102-R134 IonicContact OD1-NH2 3.25Å; D102-R134 PolarHBondContact OD1-NH2 3.39Å; D102-R134 IonicContact OD2-NE 2.87Å
103	N	79.4	Confident	88.4	Confident	42 Å²	42	41.9 Å²	41.9	23%	0.225	26%	0.258	C	S	.	.			trans	-84.2	108.7	171.9	-170.3	-8.6	0	0	0	111.2	G101 N105 E150	G101-N103 VanDerWaalsContact C-N 3.34Å; G101-N103 PolarHBondContact O-N 2.82Å; N103-N105 VanDerWaalsContact C-N 3.26Å; N103-N105 PolarHBondContact O-N 3.11Å; N103-N105 WeakPolarHBondContact OD1-CB 3.44Å; N103-N105 PolarHBondContact OD1-N 3.37Å; N103-E150 PolarHBondContact ND2-OE1 3.43Å; N103-E150 PolarHBondContact ND2-OE2 3.45Å
104	K	82.6	Confident	88.5	Confident	26 Å²	26	45.1 Å²	45.1	11%	0.113	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-12.2	179.6	-61.9	-59.8	-173.2	-81	0	114.3	I36 S38 E40 F100 G101 D102	I36-K104 HydrophobicContact CD1-CB 4.19Å; I36-K104 HydrophobicContact CD1-CD 4.47Å; I36-K104 WeakPolarHBondContact O-CD 3.45Å; I36-K104 WeakPolarHBondContact O-CE 3.46Å; I36-K104 WeakPolarHBondContact O-CG 3.24Å; S38-K104 WeakPolarHBondContact O-CE 3.42Å; S38-K104 PolarHBondContact O-NZ 3.35Å; E40-K104 WeakPolarHBondContact O-CE 3.43Å; E40-K104 PolarHBondContact O-NZ 3.11Å; F100-K104 HydrophobicContact CB-CD 3.89Å; F100-K104 HydrophobicContact CD1-CD 4.49Å; F100-K104 VanDerWaalsContact CD1-O 3.3Å; F100-K104 WeakPolarHBondContact CD1-O 3.37Å; G101-K104 PolarHBondContact O-NZ 2.97Å; D102-K104 PolarHBondContact O-N 3.41Å
105	N	75.7	Confident	88.4	Confident	64 Å²	64	45.6 Å²	45.6	34%	0.342	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-13.4	179.5	-62.9	-41.5	0	0	0	113.2	N103 P107 V206	N103-N105 VanDerWaalsContact C-N 3.26Å; N103-N105 PolarHBondContact O-N 3.11Å; N103-N105 WeakPolarHBondContact OD1-CB 3.44Å; N103-N105 PolarHBondContact OD1-N 3.37Å; N105-P107 WeakPolarHBondContact O-CD 3.27Å; N105-V206 HydrophobicContact CB-CG1 4.42Å
106	S	78.2	Confident	88.4	Confident	49 Å²	49	46.2 Å²	46.2	34%	0.343	27%	0.266	S	S	.	.	S	Bend	trans	-123.2	64.6	-177.2	-164.3	0	0	0	0	111.2	E150	S106-E150 WeakPolarHBondContact CB-OE1 3.18Å; S106-E150 PolarHBondContact OG-OE1 2.96Å
107	P	88.5	Confident	88.3	Confident	25 Å²	25	49.9 Å²	49.9	16%	0.162	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-68	142.9	177.4	28.1	-33.7	0	0	0	111.8	F89 L98 I99 F100 N105	F89-P107 HydrophobicContact CD1-CG 3.78Å; F89-P107 HydrophobicContact CE1-CG 3.68Å; L98-P107 HydrophobicContact CB-CB 4.13Å; L98-P107 HydrophobicContact CD1-CB 4.43Å; L98-P107 HydrophobicContact CD1-CG 4.2Å; I99-P107 CarbonylContact O-C 3.58Å; I99-P107 VanDerWaalsContact O-CA 3.26Å; I99-P107 WeakPolarHBondContact O-CA 3.45Å; F100-P107 HydrophobicContact CD1-CB 3.69Å; F100-P107 HydrophobicContact CD1-CG 4.15Å; F100-P107 HydrophobicContact CD2-CB 3.87Å; F100-P107 HydrophobicContact CE1-CB 3.56Å; F100-P107 HydrophobicContact CE1-CG 3.6Å; F100-P107 HydrophobicContact CE2-CB 3.72Å; F100-P107 HydrophobicContact CE2-CG 4.35Å; F100-P107 HydrophobicContact CG-CB 3.83Å; F100-P107 HydrophobicContact CZ-CB 3.56Å; F100-P107 HydrophobicContact CZ-CG 3.7Å; N105-P107 WeakPolarHBondContact O-CD 3.27Å
108	K	86.1	Confident	88.4	Confident	107 Å²	107	54 Å²	54	47%	0.465	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	137.5	174.7	-63.2	177.9	-175.2	173.8	0	110.5	L98 I99 Y110 E126	L98-K108 WeakPolarHBondContact CA-O 3.43Å; I99-K108 PolarHBondContact N-O 3.14Å; I99-K108 PolarHBondContact O-N 2.78Å; K108-Y110 PolarHBondContact O-N 2.84Å; K108-E126 IonicContact NZ-OE1 2.67Å; K108-E126 IonicContact NZ-OE2 3.72Å
109	P	88.8	Confident	88.5	Confident	91 Å²	91	53.3 Å²	53.3	59%	0.591	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.2	130.2	169.2	29.3	-32.5	0	0	0	110.3	L98	L98-P109 HydrophobicContact CD2-CB 4.29Å
110	Y	89.4	Confident	88.6	Confident	25 Å²	25	54.9 Å²	54.9	10%	0.098	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-81.2	126.2	167.9	174.6	-107.9	0	0	0	110	I97 I99 K108 G112 G113 H118 L119 E122	I97-Y110 HydrophobicContact CB-CD1 4.01Å; I97-Y110 HydrophobicContact CB-CG 4.32Å; I97-Y110 HydrophobicContact CD1-CD1 3.75Å; I97-Y110 HydrophobicContact CD1-CE1 4.18Å; I97-Y110 HydrophobicContact CG2-CD1 4.14Å; I97-Y110 HydrophobicContact CG2-CG 4.12Å; I97-Y110 PolarHBondContact O-N 2.96Å; I99-Y110 HydrophobicContact CD1-CD2 4.16Å; K108-Y110 PolarHBondContact O-N 2.84Å; Y110-G112 WeakPolarHBondContact CE1-O 3.44Å; Y110-G112 VanDerWaalsContact CZ-CA 3.44Å; Y110-G113 WeakPolarHBondContact CE1-O 3.41Å; Y110-G113 PolarHBondContact OH-O 2.93Å; Y110-H118 VanDerWaalsContact OH-C 3.28Å; Y110-H118 WeakPolarHBondContact OH-CB 3Å; Y110-H118 PolarHBondContact OH-O 3.24Å; Y110-L119 HydrophobicContact CE1-CD2 3.78Å; Y110-E122 HydrophobicContact CD2-CB 4.32Å; Y110-E122 HydrophobicContact CD2-CG 3.72Å; Y110-E122 HydrophobicContact CE2-CB 3.67Å; Y110-E122 HydrophobicContact CE2-CG 3.58Å
111	T	85.8	Confident	88.7	Confident	132 Å²	132	62.6 Å²	62.6	81%	0.81	34%	0.342	S	S	*	.			trans	-117.8	6	-176	59.9	0	0	0	0	113.5
112	G	86	Confident	88.9	Confident	36 Å²	36	63.2 Å²	63.2	37%	0.371	34%	0.339	S	S	.	.	S	Bend	trans	-78.6	-178.5	-179.8	0	0	0	0	0	114.3	Y110	Y110-G112 WeakPolarHBondContact CE1-O 3.44Å; Y110-G112 VanDerWaalsContact CZ-CA 3.44Å
113	G	87.2	Confident	89.7	Confident	23 Å²	23	59.6 Å²	59.6	24%	0.237	32%	0.32	C	S	.	.			trans	-60.5	153.7	173	0	0	0	0	0	112.4	Y110 H118	Y110-G113 WeakPolarHBondContact CE1-O 3.41Å; Y110-G113 PolarHBondContact OH-O 2.93Å; G113-H118 WeakPolarHBondContact O-CB 3.36Å
114	R	93	Very high	90.5	Very high	100 Å²	100	62.1 Å²	62.1	38%	0.377	33%	0.333	S	S	.	.	S	Bend	trans	-94.7	0.8	-178.3	-66.3	-178.6	-67.7	-149.5	0.6	113.5	A57	A57-R114 HydrophobicContact CB-CB 4.21Å
115	D	93.3	Very high	91	Very high	58 Å²	58	66 Å²	66	31%	0.31	35%	0.347	S	S	.	.	S	Bend	trans	-77.7	160.4	172.3	59.3	93.9	0	0	0	111.7	D60 D117 H118 L119	D60-D115 WeakPolarHBondContact OD2-CA 3.28Å; D115-D117 VanDerWaalsContact C-N 3.28Å; D115-D117 PolarHBondContact O-N 3.31Å; D115-D117 PolarHBondContact OD1-N 3.3Å; D115-H118 PolarHBondContact O-N 3.26Å; D115-H118 IonicContact OD1-CE1 3.82Å; D115-H118 IonicContact OD1-CG 2.89Å; D115-H118 PolarHBondContact OD1-N 2.89Å; D115-H118 IonicContact OD1-ND1 2.84Å; D115-H118 PolarHBondContact OD1-ND1 3Å; D115-H118 IonicContact OD2-CE1 3.49Å; D115-H118 IonicContact OD2-CG 2.76Å; D115-H118 IonicContact OD2-ND1 3.42Å; D115-H118 PolarHBondContact OD2-ND1 2.85Å; D115-L119 WeakPolarHBondContact O-CG 3.45Å; D115-L119 PolarHBondContact O-N 3.27Å
116	I	96.5	Very high	91.8	Very high	29 Å²	29	63.6 Å²	63.6	15%	0.149	33%	0.333	C	S	.	.	H	α-helix	trans	-59.7	-33.3	-172.7	-168.7	58.4	0	0	0	114	D60 L63 F64 L119 N120	D60-I116 HydrophobicContact CB-CB 4.39Å; L63-I116 HydrophobicContact CB-CD1 4.15Å; L63-I116 HydrophobicContact CD2-CB 4.45Å; L63-I116 HydrophobicContact CD2-CD1 4.28Å; L63-I116 HydrophobicContact CD2-CG1 3.91Å; L63-I116 HydrophobicContact CG-CD1 3.98Å; L63-I116 HydrophobicContact CG-CG1 4.12Å; F64-I116 HydrophobicContact CB-CD1 3.72Å; I116-L119 PolarHBondContact O-N 3.37Å; I116-N120 WeakPolarHBondContact O-CB 3.46Å; I116-N120 PolarHBondContact O-N 3.41Å; I116-N120 PolarHBondContact O-ND2 2.83Å
117	D	94.7	Very high	92.6	Very high	116 Å²	116	63.3 Å²	63.3	62%	0.62	33%	0.328	S	S	*	.	H	α-helix	trans	-69.6	-44.6	-176.9	-71.4	-23.7	0	0	0	111.3	D115 L119 N120 K121	D115-D117 VanDerWaalsContact C-N 3.28Å; D115-D117 PolarHBondContact O-N 3.31Å; D115-D117 PolarHBondContact OD1-N 3.3Å; D117-L119 VanDerWaalsContact C-N 3.33Å; D117-L119 PolarHBondContact O-N 2.78Å; D117-N120 PolarHBondContact O-N 3.31Å; D117-K121 VanDerWaalsContact O-CB 3.31Å; D117-K121 WeakPolarHBondContact O-CB 3.46Å; D117-K121 PolarHBondContact O-N 3.23Å
118	H	97.5	Very high	92.7	Very high	94 Å²	94	65.4 Å²	65.4	44%	0.435	34%	0.34	S	S	.	.	H	α-helix	trans	-64.9	-37.9	175.8	-72.5	89.5	0	0	0	112.3	Y110 G113 D115 E122	Y110-H118 VanDerWaalsContact OH-C 3.28Å; Y110-H118 WeakPolarHBondContact OH-CB 3Å; Y110-H118 PolarHBondContact OH-O 3.24Å; G113-H118 WeakPolarHBondContact O-CB 3.36Å; D115-H118 PolarHBondContact O-N 3.26Å; D115-H118 IonicContact OD1-CE1 3.82Å; D115-H118 IonicContact OD1-CG 2.89Å; D115-H118 PolarHBondContact OD1-N 2.89Å; D115-H118 IonicContact OD1-ND1 2.84Å; D115-H118 PolarHBondContact OD1-ND1 3Å; D115-H118 IonicContact OD2-CE1 3.49Å; D115-H118 IonicContact OD2-CG 2.76Å; D115-H118 IonicContact OD2-ND1 3.42Å; D115-H118 PolarHBondContact OD2-ND1 2.85Å; H118-E122 WeakPolarHBondContact O-CB 3.45Å; H118-E122 PolarHBondContact O-N 3.29Å; H118-E122 VanDerWaalsContact O-N 3.16Å
119	L	97.4	Very high	92.6	Very high	1 Å²	1	62.9 Å²	62.9	1%	0.005	34%	0.336	C	S	.	.	H	α-helix	trans	-66.6	-47.6	176.6	-67.8	174.2	0	0	0	111.5	W61 F64 I97 Y110 D115 I116 D117 K121 E122 A123	W61-L119 HydrophobicContact CE3-CD1 3.93Å; W61-L119 HydrophobicContact CE3-CD2 4.19Å; W61-L119 HydrophobicContact CZ3-CD1 4.34Å; W61-L119 HydrophobicContact CZ3-CD2 3.76Å; F64-L119 HydrophobicContact CB-CB 4.45Å; F64-L119 HydrophobicContact CB-CD1 4.06Å; F64-L119 HydrophobicContact CD1-CB 4.49Å; F64-L119 HydrophobicContact CD1-CD1 4.41Å; F64-L119 HydrophobicContact CD2-CB 3.76Å; F64-L119 HydrophobicContact CE2-CB 4.06Å; F64-L119 HydrophobicContact CG-CB 3.99Å; F64-L119 HydrophobicContact CG-CD1 4.19Å; I97-L119 HydrophobicContact CD1-CD2 4.36Å; Y110-L119 HydrophobicContact CE1-CD2 3.78Å; D115-L119 WeakPolarHBondContact O-CG 3.45Å; D115-L119 PolarHBondContact O-N 3.27Å; I116-L119 PolarHBondContact O-N 3.37Å; D117-L119 VanDerWaalsContact C-N 3.33Å; D117-L119 PolarHBondContact O-N 2.78Å; L119-K121 PolarHBondContact O-N 3.05Å; L119-E122 PolarHBondContact O-N 3.25Å; L119-A123 WeakPolarHBondContact O-CB 3.23Å; L119-A123 PolarHBondContact O-N 3.43Å
120	N	96.9	Very high	92.5	Very high	36 Å²	36	59.3 Å²	59.3	19%	0.193	31%	0.312	C	S	.	.	H	α-helix	trans	-61.1	-46	178.8	-72	-16.1	0	0	0	111.8	N67 F68 I116 D117 E122 A123 L124	N67-N120 PolarHBondContact ND2-OD1 3.26Å; F68-N120 HydrophobicContact CE2-CB 4.22Å; F68-N120 WeakPolarHBondContact CE2-OD1 3.24Å; F68-N120 HydrophobicContact CZ-CB 4.44Å; I116-N120 WeakPolarHBondContact O-CB 3.46Å; I116-N120 PolarHBondContact O-N 3.41Å; I116-N120 PolarHBondContact O-ND2 2.83Å; D117-N120 PolarHBondContact O-N 3.31Å; N120-E122 VanDerWaalsContact C-N 3.32Å; N120-E122 PolarHBondContact O-N 3.15Å; N120-A123 PolarHBondContact O-N 3.04Å; N120-L124 WeakPolarHBondContact O-CG 3.41Å; N120-L124 PolarHBondContact O-N 3.02Å
121	K	95.2	Very high	92.5	Very high	162 Å²	162	61.6 Å²	61.6	70%	0.704	33%	0.329	S	S	*	.	H	α-helix	trans	-60.7	-43.5	179.8	-176	178.2	179.6	-179.6	0	111.6	D117 L119 R125	D117-K121 VanDerWaalsContact O-CB 3.31Å; D117-K121 WeakPolarHBondContact O-CB 3.46Å; D117-K121 PolarHBondContact O-N 3.23Å; L119-K121 PolarHBondContact O-N 3.05Å; K121-R125 PolarHBondContact O-N 3Å; K121-R125 VanDerWaalsContact O-N 3.09Å
122	E	94.3	Very high	92.3	Very high	35 Å²	35	60.5 Å²	60.5	16%	0.164	31%	0.313	C	S	.	.	H	α-helix	trans	-68.3	-43.3	179.8	-176.2	70	173.1	0	0	112.3	F43 I99 Y110 H118 L119 N120 L124 R125 E126	F43-E122 HydrophobicContact CE1-CG 4.11Å; F43-E122 HydrophobicContact CZ-CG 4.13Å; I99-E122 HydrophobicContact CD1-CG 3.93Å; Y110-E122 HydrophobicContact CD2-CB 4.32Å; Y110-E122 HydrophobicContact CD2-CG 3.72Å; Y110-E122 HydrophobicContact CE2-CB 3.67Å; Y110-E122 HydrophobicContact CE2-CG 3.58Å; H118-E122 WeakPolarHBondContact O-CB 3.45Å; H118-E122 PolarHBondContact O-N 3.29Å; H118-E122 VanDerWaalsContact O-N 3.16Å; L119-E122 PolarHBondContact O-N 3.25Å; N120-E122 VanDerWaalsContact C-N 3.32Å; N120-E122 PolarHBondContact O-N 3.15Å; E122-L124 VanDerWaalsContact C-N 3.32Å; E122-L124 PolarHBondContact O-N 2.96Å; E122-R125 WeakPolarHBondContact O-CB 3.44Å; E122-R125 PolarHBondContact O-N 2.98Å; E122-R125 VanDerWaalsContact O-N 3.13Å; E122-R125 IonicContact OE1-CZ 3.72Å; E122-R125 IonicContact OE1-NE 3.95Å; E122-R125 IonicContact OE1-NH2 3.4Å; E122-R125 PolarHBondContact OE1-NH2 3.01Å; E122-R125 IonicContact OE2-CZ 2.71Å; E122-R125 IonicContact OE2-NE 2.75Å; E122-R125 PolarHBondContact OE2-NE 3.45Å; E122-R125 IonicContact OE2-NH2 2.96Å; E122-R125 PolarHBondContact OE2-NH2 3.39Å; E122-E126 HydrophobicContact CG-CG 4.42Å; E122-E126 PolarHBondContact O-N 2.78Å
123	A	96.7	Very high	92	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-60.6	-42	177.5	0	0	0	0	0	112.3	F43 F64 F68 I72 L119 N120 R125 E126 L127	F43-A123 HydrophobicContact CE2-CB 4.23Å; F43-A123 HydrophobicContact CZ-CB 4.14Å; F64-A123 HydrophobicContact CE2-CB 3.61Å; F64-A123 HydrophobicContact CZ-CB 3.86Å; F68-A123 HydrophobicContact CD1-CB 4.31Å; F68-A123 HydrophobicContact CD2-CB 4.31Å; F68-A123 HydrophobicContact CE1-CB 3.78Å; F68-A123 HydrophobicContact CE2-CB 3.79Å; F68-A123 HydrophobicContact CZ-CB 3.49Å; F68-A123 VanDerWaalsContact CZ-CB 3.49Å; I72-A123 HydrophobicContact CD1-CB 3.68Å; L119-A123 WeakPolarHBondContact O-CB 3.23Å; L119-A123 PolarHBondContact O-N 3.43Å; N120-A123 PolarHBondContact O-N 3.04Å; A123-R125 VanDerWaalsContact C-N 3.33Å; A123-R125 PolarHBondContact O-N 3.13Å; A123-E126 PolarHBondContact O-N 3.39Å; A123-L127 WeakPolarHBondContact O-CB 3.44Å; A123-L127 PolarHBondContact O-N 3.48Å
124	L	95.8	Very high	91.8	Very high	96 Å²	96	68.8 Å²	68.8	50%	0.503	34%	0.337	S	S	.	.	H	α-helix	trans	-63.2	-39.7	174.4	-70.1	170.6	0	0	0	111.8	F68 N120 E122 T128	F68-L124 HydrophobicContact CE1-CD2 4.04Å; F68-L124 HydrophobicContact CE1-CG 4.22Å; F68-L124 HydrophobicContact CZ-CD2 4.36Å; F68-L124 HydrophobicContact CZ-CG 4.1Å; N120-L124 WeakPolarHBondContact O-CG 3.41Å; N120-L124 PolarHBondContact O-N 3.02Å; E122-L124 VanDerWaalsContact C-N 3.32Å; E122-L124 PolarHBondContact O-N 2.96Å; L124-T128 VanDerWaalsContact O-CB 3.28Å; L124-T128 WeakPolarHBondContact O-CB 3.24Å; L124-T128 PolarHBondContact O-N 3.42Å; L124-T128 PolarHBondContact O-OG1 2.9Å
125	R	93.5	Very high	91.2	Very high	108 Å²	108	68.2 Å²	68.2	41%	0.408	35%	0.345	S	S	.	.	H	α-helix	trans	-61.9	-51.7	176.9	-174	-177	77	90.3	8.6	111.4	K121 E122 A123 T128 S129 D144	K121-R125 PolarHBondContact O-N 3Å; K121-R125 VanDerWaalsContact O-N 3.09Å; E122-R125 WeakPolarHBondContact O-CB 3.44Å; E122-R125 PolarHBondContact O-N 2.98Å; E122-R125 VanDerWaalsContact O-N 3.13Å; E122-R125 IonicContact OE1-CZ 3.72Å; E122-R125 IonicContact OE1-NE 3.95Å; E122-R125 IonicContact OE1-NH2 3.4Å; E122-R125 PolarHBondContact OE1-NH2 3.01Å; E122-R125 IonicContact OE2-CZ 2.71Å; E122-R125 IonicContact OE2-NE 2.75Å; E122-R125 PolarHBondContact OE2-NE 3.45Å; E122-R125 IonicContact OE2-NH2 2.96Å; E122-R125 PolarHBondContact OE2-NH2 3.39Å; A123-R125 VanDerWaalsContact C-N 3.33Å; A123-R125 PolarHBondContact O-N 3.13Å; R125-T128 PolarHBondContact O-N 3.27Å; R125-S129 WeakPolarHBondContact O-CB 3.36Å; R125-S129 PolarHBondContact O-N 2.79Å; R125-D144 IonicContact NH1-OD2 2.8Å
126	E	93.5	Very high	90.1	Very high	12 Å²	12	68.7 Å²	68.7	6%	0.056	36%	0.363	C	S	.	.	H	α-helix	trans	-66.1	-39.9	-179.8	-71	-67.3	150.3	0	0	111.7	L41 F43 I99 K108 E122 A123 S129 L130	L41-E126 HydrophobicContact CD1-CB 4.33Å; L41-E126 HydrophobicContact CD2-CB 3.77Å; F43-E126 HydrophobicContact CZ-CG 4.39Å; I99-E126 HydrophobicContact CD1-CG 4.19Å; I99-E126 HydrophobicContact CG2-CG 4.2Å; K108-E126 IonicContact NZ-OE1 2.67Å; K108-E126 IonicContact NZ-OE2 3.72Å; E122-E126 HydrophobicContact CG-CG 4.42Å; E122-E126 PolarHBondContact O-N 2.78Å; A123-E126 PolarHBondContact O-N 3.39Å; E126-S129 WeakPolarHBondContact O-CB 3.3Å; E126-S129 PolarHBondContact O-N 3.17Å; E126-L130 WeakPolarHBondContact O-CB 3.27Å; E126-L130 PolarHBondContact O-N 3.49Å
127	L	93.6	Very high	87.8	Confident	43 Å²	43	71.6 Å²	71.6	23%	0.225	39%	0.386	C	S	.	.	H	α-helix	trans	-62.9	-44.9	174.2	-176	64.7	0	0	0	111.7	L41 I71 A123 S129 L130 V131	L41-L127 HydrophobicContact CD2-CB 4.28Å; I71-L127 HydrophobicContact CG2-CD2 3.52Å; A123-L127 WeakPolarHBondContact O-CB 3.44Å; A123-L127 PolarHBondContact O-N 3.48Å; L127-S129 VanDerWaalsContact C-N 3.33Å; L127-S129 PolarHBondContact O-N 2.78Å; L127-L130 PolarHBondContact O-N 3.43Å; L127-V131 WeakPolarHBondContact O-CG2 3.37Å; L127-V131 PolarHBondContact O-N 3.28Å
128	T	90.6	Very high	85.5	Confident	69 Å²	69	67.5 Å²	67.5	42%	0.423	37%	0.371	S	S	.	.	H	α-helix	trans	-60.3	-45	175.8	-59.4	0	0	0	0	110.9	L124 R125 L130 V131 K132	L124-T128 VanDerWaalsContact O-CB 3.28Å; L124-T128 WeakPolarHBondContact O-CB 3.24Å; L124-T128 PolarHBondContact O-N 3.42Å; L124-T128 PolarHBondContact O-OG1 2.9Å; R125-T128 PolarHBondContact O-N 3.27Å; T128-L130 VanDerWaalsContact C-N 3.34Å; T128-L130 PolarHBondContact O-N 3.47Å; T128-V131 PolarHBondContact O-N 3.3Å; T128-K132 HydrophobicContact CG2-CD 4.19Å; T128-K132 WeakPolarHBondContact O-CB 3.45Å; T128-K132 WeakPolarHBondContact O-CG 3.2Å; T128-K132 PolarHBondContact O-N 2.98Å
129	S	85.5	Confident	82.8	Confident	54 Å²	54	68 Å²	68	38%	0.378	39%	0.385	S	S	.	.	H	α-helix	trans	-58.2	-47	175.9	-175.5	0	0	0	0	111.3	R125 E126 L127 V131 K132 T133	R125-S129 WeakPolarHBondContact O-CB 3.36Å; R125-S129 PolarHBondContact O-N 2.79Å; E126-S129 WeakPolarHBondContact O-CB 3.3Å; E126-S129 PolarHBondContact O-N 3.17Å; L127-S129 VanDerWaalsContact C-N 3.33Å; L127-S129 PolarHBondContact O-N 2.78Å; S129-V131 PolarHBondContact O-N 2.92Å; S129-K132 PolarHBondContact O-N 2.05Å; S129-T133 PolarHBondContact O-N 3.03Å; S129-T133 PolarHBondContact O-OG1 3.13Å; S129-T133 VanDerWaalsContact O-OG1 3.13Å
130	L	86.8	Confident	80.2	Confident	16 Å²	16	73.7 Å²	73.7	8%	0.084	43%	0.425	C	S	.	.	H	α-helix	trans	-62.3	-44.2	-179.8	-171.8	65.4	0	0	0	112.3	L41 D102 E126 L127 T128 T133 R134	L41-L130 HydrophobicContact CB-CD2 4.03Å; D102-L130 HydrophobicContact CB-CD1 4.36Å; D102-L130 VanDerWaalsContact CG-CD1 3.49Å; D102-L130 VanDerWaalsContact OD2-CD1 3.3Å; D102-L130 WeakPolarHBondContact OD2-CD1 3.48Å; E126-L130 WeakPolarHBondContact O-CB 3.27Å; E126-L130 PolarHBondContact O-N 3.49Å; L127-L130 PolarHBondContact O-N 3.43Å; T128-L130 VanDerWaalsContact C-N 3.34Å; T128-L130 PolarHBondContact O-N 3.47Å; L130-T133 PolarHBondContact O-N 3.42Å; L130-R134 WeakPolarHBondContact O-CG 3.33Å; L130-R134 PolarHBondContact O-N 2.91Å
131	V	89	Confident	77.2	Confident	74 Å²	74	78.2 Å²	78.2	45%	0.448	45%	0.449	S	S	.	.	H	α-helix	trans	-64.2	-43.4	177.1	172.3	0	0	0	0	110.9	L127 T128 S129 T133 R134 T135	L127-V131 WeakPolarHBondContact O-CG2 3.37Å; L127-V131 PolarHBondContact O-N 3.28Å; T128-V131 PolarHBondContact O-N 3.3Å; S129-V131 PolarHBondContact O-N 2.92Å; V131-T133 PolarHBondContact O-N 3.41Å; V131-R134 PolarHBondContact O-N 3.18Å; V131-T135 HydrophobicContact CG1-CG2 4.12Å; V131-T135 WeakPolarHBondContact O-CB 3.21Å; V131-T135 WeakPolarHBondContact O-CG2 3.44Å; V131-T135 PolarHBondContact O-N 2.97Å; V131-T135 PolarHBondContact O-OG1 3.42Å
132	K	81.6	Confident	74.9	Confident	109 Å²	109	74.2 Å²	74.2	47%	0.474	45%	0.454	S	S	.	.	H	α-helix	trans	-59.8	-44.3	176.1	-75.5	178.4	177.5	-176.9	0	111.8	T128 S129 R134 T135 G136	T128-K132 HydrophobicContact CG2-CD 4.19Å; T128-K132 WeakPolarHBondContact O-CB 3.45Å; T128-K132 WeakPolarHBondContact O-CG 3.2Å; T128-K132 PolarHBondContact O-N 2.98Å; S129-K132 PolarHBondContact O-N 2.05Å; K132-R134 VanDerWaalsContact C-N 3.34Å; K132-R134 PolarHBondContact O-N 2.93Å; K132-T135 PolarHBondContact O-OG1 3.32Å; K132-G136 PolarHBondContact O-N 3.34Å; K132-G136 VanDerWaalsContact O-N 3.08Å
133	T	78.7	Confident	72	Confident	100 Å²	100	77.1 Å²	77.1	61%	0.613	48%	0.478	S	S	*	.	H	α-helix	trans	-60	-42.7	175.7	-62.5	0	0	0	0	111.9	S129 L130 V131	S129-T133 PolarHBondContact O-N 3.03Å; S129-T133 PolarHBondContact O-OG1 3.13Å; S129-T133 VanDerWaalsContact O-OG1 3.13Å; L130-T133 PolarHBondContact O-N 3.42Å; V131-T133 PolarHBondContact O-N 3.41Å
134	R	83.7	Confident	69.3	Low	132 Å²	132	83 Å²	83	50%	0.498	51%	0.51	S	S	.	.	H	α-helix	trans	-74.4	-34.2	-178.1	-71.5	173.5	178.5	-176.5	-0.8	114.3	K39 D102 L130 V131 K132	K39-R134 PolarHBondContact O-NH2 2.83Å; D102-R134 IonicContact OD1-CZ 3.56Å; D102-R134 IonicContact OD1-NE 2.67Å; D102-R134 IonicContact OD1-NH2 3.25Å; D102-R134 PolarHBondContact OD1-NH2 3.39Å; D102-R134 IonicContact OD2-NE 2.87Å; L130-R134 WeakPolarHBondContact O-CG 3.33Å; L130-R134 PolarHBondContact O-N 2.91Å; V131-R134 PolarHBondContact O-N 3.18Å; K132-R134 VanDerWaalsContact C-N 3.34Å; K132-R134 PolarHBondContact O-N 2.93Å
135	T	80.4	Confident	67.1	Low	89 Å²	89	84.4 Å²	84.4	55%	0.546	51%	0.512	S	S	.	.	H	α-helix	trans	-88	-11.5	-177.3	53.7	0	0	0	0	113.3	V131 K132 S137	V131-T135 HydrophobicContact CG1-CG2 4.12Å; V131-T135 WeakPolarHBondContact O-CB 3.21Å; V131-T135 WeakPolarHBondContact O-CG2 3.44Å; V131-T135 PolarHBondContact O-N 2.97Å; V131-T135 PolarHBondContact O-OG1 3.42Å; K132-T135 PolarHBondContact O-OG1 3.32Å; T135-S137 PolarHBondContact O-N 3.48Å
136	G	69.4	Low	65.8	Low	68 Å²	68	83 Å²	83	70%	0.701	51%	0.512	S	S	*	.			trans	66.4	1.5	-175.7	0	0	0	0	0	114.4	K132 G138	K132-G136 PolarHBondContact O-N 3.34Å; K132-G136 VanDerWaalsContact O-N 3.08Å; G136-G138 PolarHBondContact O-N 2.89Å
137	S	49.4	Very low	65.6	Low	90 Å²	90	84.4 Å²	84.4	63%	0.629	52%	0.52	S	S	*	.			trans	-81	32.3	-173.2	-154.7	0	0	0	0	113.5	T135 S139	T135-S137 PolarHBondContact O-N 3.48Å; S137-S139 PolarHBondContact O-N 3.49Å
138	G	46.4	Very low	65.7	Low	29 Å²	29	83.1 Å²	83.1	30%	0.299	51%	0.514	S	S	.	.			trans	-92.1	70.7	-176	0	0	0	0	0	113.2	G136 K145	G136-G138 PolarHBondContact O-N 2.89Å; G138-K145 PolarHBondContact O-NZ 3.49Å
139	S	40.2	Very low	65.9	Low	106 Å²	106	82.1 Å²	82.1	74%	0.741	51%	0.506	S	S	*	.			trans	-48.2	140.4	157.5	-59.3	0	0	0	0	109.8	S137 D141	S137-S139 PolarHBondContact O-N 3.49Å; S139-D141 PolarHBondContact O-N 2.93Å
140	S	42.4	Very low	66.2	Low	120 Å²	120	83.2 Å²	83.2	84%	0.839	51%	0.505	S	S	*	.			trans	-56.6	97	-177.7	56.5	0	0	0	0	111.9
141	D	35.1	Very low	66.6	Low	130 Å²	130	82.5 Å²	82.5	70%	0.695	50%	0.501	S	S	*	.			trans	-119.8	119	158.7	-158	8.1	0	0	0	107.4	S139 S143	S139-D141 PolarHBondContact O-N 2.93Å; D141-S143 PolarHBondContact O-N 3.01Å; D141-S143 VanDerWaalsContact O-N 3.12Å
142	G	45.5	Very low	66.7	Low	78 Å²	78	80 Å²	80	80%	0.804	49%	0.486	S	S	*	.			trans	-74.7	97.3	-171.1	0	0	0	0	0	110.7
143	S	33.5	Very low	67.1	Low	96 Å²	96	76.1 Å²	76.1	67%	0.671	47%	0.47	S	S	*	.	S	Bend	trans	-167.8	121.4	152.6	42.5	0	0	0	0	109.1	D141 K145	D141-S143 PolarHBondContact O-N 3.01Å; D141-S143 VanDerWaalsContact O-N 3.12Å; S143-K145 PolarHBondContact O-N 3.24Å
144	D	39.8	Very low	67.5	Low	125 Å²	125	76.4 Å²	76.4	67%	0.668	48%	0.476	S	S	*	.			trans	57.6	33.7	169.1	-64.9	-15.8	0	0	0	119.1	R125 D146	R125-D144 IonicContact NH1-OD2 2.8Å; D144-D146 PolarHBondContact O-N 3.37Å
145	K	49.6	Very low	68	Low	125 Å²	125	71.4 Å²	71.4	54%	0.543	46%	0.459	S	S	.	.			trans	-68	113.1	146.5	-72.8	-171.5	-177.2	179	0	105.9	G138 S143 D147	G138-K145 PolarHBondContact O-NZ 3.49Å; S143-K145 PolarHBondContact O-N 3.24Å; K145-D147 VanDerWaalsContact C-N 3.32Å; K145-D147 PolarHBondContact O-N 3.29Å
146	D	67.1	Low	68.7	Low	79 Å²	79	67.1 Å²	67.1	42%	0.422	43%	0.433	S	S	.	.			trans	-64.2	101.5	166.7	-157.9	-15.1	0	0	0	106	D144 V148 K183	D144-D146 PolarHBondContact O-N 3.37Å; D146-V148 PolarHBondContact O-N 2.82Å; D146-V148 WeakPolarHBondContact OD1-CB 3.25Å; D146-V148 WeakPolarHBondContact OD1-CG2 3.4Å; D146-V148 PolarHBondContact OD1-N 3.46Å; D146-K183 IonicContact OD2-NZ 3.82Å; D146-K183 PolarHBondContact OD2-NZ 2.86Å; D146-K183 VanDerWaalsContact OD2-NZ 3.16Å
147	D	89.3	Confident	69.9	Low	40 Å²	40	66.5 Å²	66.5	21%	0.214	41%	0.414	C	S	.	.			trans	-67.3	-7.6	175.3	-77.5	-59.2	0	0	0	110.6	K145 I149 A190 R191 K194	K145-D147 VanDerWaalsContact C-N 3.32Å; K145-D147 PolarHBondContact O-N 3.29Å; D147-I149 PolarHBondContact O-N 2.93Å; D147-A190 HydrophobicContact CB-CB 3.79Å; D147-R191 HydrophobicContact CB-CG 4.46Å; D147-R191 WeakPolarHBondContact OD2-CG 3.25Å; D147-K194 IonicContact OD1-NZ 2.97Å; D147-K194 PolarHBondContact OD1-NZ 2.96Å; D147-K194 IonicContact OD2-NZ 2.8Å
148	V	95.1	Very high	72	Confident	17 Å²	17	69.1 Å²	69.1	10%	0.103	42%	0.416	C	S	.	.	S	Bend	trans	-72.4	118.3	170	-175.1	0	0	0	0	109.6	D146 E150 W186 A190 V199 A201	D146-V148 PolarHBondContact O-N 2.82Å; D146-V148 WeakPolarHBondContact OD1-CB 3.25Å; D146-V148 WeakPolarHBondContact OD1-CG2 3.4Å; D146-V148 PolarHBondContact OD1-N 3.46Å; V148-E150 PolarHBondContact O-N 2.96Å; V148-W186 VanDerWaalsContact CG2-CD1 3.49Å; V148-W186 HydrophobicContact CG2-CG 4.4Å; V148-A190 HydrophobicContact CG2-CB 3.62Å; V148-V199 WeakPolarHBondContact CA-O 3.39Å; V148-V199 HydrophobicContact CG2-CG1 4.47Å; V148-A201 HydrophobicContact CG1-CB 3.57Å
149	I	95	Very high	74.3	Confident	48 Å²	48	71.3 Å²	71.3	25%	0.246	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	122.5	177.4	-60.3	166.9	0	0	0	109.3	D147 L151 K159 W167 K198 V199 A200 A201	D147-I149 PolarHBondContact O-N 2.93Å; I149-L151 HydrophobicContact CG2-CD2 4.44Å; I149-L151 PolarHBondContact O-N 2.98Å; I149-K159 HydrophobicContact CG2-CD 4.16Å; I149-W167 HydrophobicContact CB-CZ3 4.13Å; I149-W167 HydrophobicContact CD1-CH2 3.58Å; I149-W167 HydrophobicContact CD1-CZ3 3.67Å; I149-W167 HydrophobicContact CG2-CH2 4.2Å; I149-W167 HydrophobicContact CG2-CZ3 4.05Å; I149-K198 HydrophobicContact CD1-CB 4.22Å; I149-K198 HydrophobicContact CD1-CD 4.07Å; I149-V199 PolarHBondContact N-O 2.85Å; I149-A200 HydrophobicContact CB-CB 4.13Å; I149-A200 CarbonylContact O-C 3.51Å; I149-A200 WeakPolarHBondContact O-CA 3.41Å; I149-A200 WeakPolarHBondContact O-CB 3.43Å; I149-A201 PolarHBondContact O-N 2.88Å
150	E	92.6	Very high	77	Confident	77 Å²	77	66.3 Å²	66.3	36%	0.36	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	126.9	173.4	-170.2	170.9	-145.4	0	0	111.3	N103 S106 V148 N155 K159	N103-E150 PolarHBondContact ND2-OE1 3.43Å; N103-E150 PolarHBondContact ND2-OE2 3.45Å; S106-E150 WeakPolarHBondContact CB-OE1 3.18Å; S106-E150 PolarHBondContact OG-OE1 2.96Å; V148-E150 PolarHBondContact O-N 2.96Å; E150-N155 PolarHBondContact O-ND2 3.19Å; E150-K159 PolarHBondContact O-NZ 2.85Å
151	L	94.4	Very high	79.5	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	144.1	176.1	-64.9	175.6	0	0	0	110.8	I149 N155 F156 K159 V160 W167 V169 A200 A201 L202	I149-L151 HydrophobicContact CG2-CD2 4.44Å; I149-L151 PolarHBondContact O-N 2.98Å; L151-N155 WeakPolarHBondContact CA-OD1 3.44Å; L151-F156 HydrophobicContact CB-CD2 4.22Å; L151-F156 HydrophobicContact CD1-CD2 3.86Å; L151-F156 HydrophobicContact CD1-CE2 3.81Å; L151-K159 HydrophobicContact CD2-CB 3.96Å; L151-K159 HydrophobicContact CD2-CD 3.76Å; L151-V160 HydrophobicContact CD1-CG2 3.61Å; L151-V160 HydrophobicContact CD2-CG2 3.94Å; L151-V160 HydrophobicContact CG-CG2 4.46Å; L151-W167 HydrophobicContact CD2-CZ3 4.27Å; L151-V169 HydrophobicContact CD1-CG1 3.82Å; L151-V169 HydrophobicContact CD1-CG2 3.88Å; L151-A200 HydrophobicContact CD1-CB 3.52Å; L151-A200 HydrophobicContact CG-CB 3.83Å; L151-A201 PolarHBondContact N-O 3.03Å; L151-L202 HydrophobicContact CB-CB 4.11Å; L151-L202 HydrophobicContact CB-CD1 4.02Å
152	T	90.8	Very high	82.3	Confident	21 Å²	21	61.6 Å²	61.6	13%	0.129	35%	0.348	C	S	.	.			trans	-129.8	163.2	177.6	66.2	0	0	0	0	108.7	S154 N155 F156 H207	T152-S154 PolarHBondContact O-N 3.28Å; T152-S154 VanDerWaalsContact O-N 3.15Å; T152-S154 PolarHBondContact OG1-N 2.91Å; T152-S154 PolarHBondContact OG1-OG 2.89Å; T152-N155 PolarHBondContact N-OD1 2.87Å; T152-N155 PolarHBondContact O-N 2.87Å; T152-N155 PolarHBondContact O-OD1 3.28Å; T152-N155 VanDerWaalsContact OG1-CG 3.26Å; T152-N155 PolarHBondContact OG1-N 3.25Å; T152-N155 PolarHBondContact OG1-ND2 3.25Å; T152-N155 PolarHBondContact OG1-OD1 3.07Å; T152-F156 WeakPolarHBondContact O-CB 3.14Å; T152-F156 PolarHBondContact O-N 2.74Å; T152-H207 WeakPolarHBondContact CG2-NE2 3.38Å
153	D	90.2	Very high	84.6	Confident	28 Å²	28	58.7 Å²	58.7	15%	0.15	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-37.6	171.4	-80.4	-26.3	0	0	0	111.6	H207 S208 R209 M210	D153-H207 HydrophobicContact CB-CB 4.38Å; D153-H207 PolarHBondContact N-ND1 3.46Å; D153-H207 WeakPolarHBondContact OD2-CA 3.4Å; D153-S208 PolarHBondContact OD2-N 3.24Å; D153-R209 HydrophobicContact CB-CB 4.38Å; D153-R209 PolarHBondContact O-NH2 3.14Å; D153-R209 WeakPolarHBondContact OD1-CB 3.46Å; D153-R209 PolarHBondContact OD1-N 3.22Å; D153-R209 WeakPolarHBondContact OD2-CB 3.39Å; D153-R209 PolarHBondContact OD2-N 3.28Å; D153-M210 WeakPolarHBondContact OD1-CB 3.08Å; D153-M210 WeakPolarHBondContact OD1-CG 3.34Å; D153-M210 PolarHBondContact OD1-N 3.34Å
154	S	88.7	Confident	87.4	Confident	106 Å²	106	59.8 Å²	59.8	74%	0.741	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-25.1	-177.2	58	0	0	0	0	115.4	T152	T152-S154 PolarHBondContact O-N 3.28Å; T152-S154 VanDerWaalsContact O-N 3.15Å; T152-S154 PolarHBondContact OG1-N 2.91Å; T152-S154 PolarHBondContact OG1-OG 2.89Å
155	N	93.4	Very high	90	Very high	27 Å²	27	58 Å²	58	14%	0.144	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.8	-9.6	-174.3	76.3	13.3	0	0	0	114	E150 L151 T152 D157 E158 K159	E150-N155 PolarHBondContact O-ND2 3.19Å; L151-N155 WeakPolarHBondContact CA-OD1 3.44Å; T152-N155 PolarHBondContact N-OD1 2.87Å; T152-N155 PolarHBondContact O-N 2.87Å; T152-N155 PolarHBondContact O-OD1 3.28Å; T152-N155 VanDerWaalsContact OG1-CG 3.26Å; T152-N155 PolarHBondContact OG1-N 3.25Å; T152-N155 PolarHBondContact OG1-ND2 3.25Å; T152-N155 PolarHBondContact OG1-OD1 3.07Å; N155-D157 VanDerWaalsContact C-N 3.34Å; N155-D157 PolarHBondContact O-N 3.41Å; N155-E158 PolarHBondContact O-N 3.36Å; N155-K159 HydrophobicContact CB-CD 4.36Å; N155-K159 WeakPolarHBondContact O-CB 3.41Å; N155-K159 PolarHBondContact O-N 3Å
156	F	96	Very high	92.3	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-59.1	-45.8	-174.7	-163.6	-75.2	0	0	0	111.9	L151 T152 K159 V160 L161 V169 F171 L202 M210 Y214 F225	L151-F156 HydrophobicContact CB-CD2 4.22Å; L151-F156 HydrophobicContact CD1-CD2 3.86Å; L151-F156 HydrophobicContact CD1-CE2 3.81Å; T152-F156 WeakPolarHBondContact O-CB 3.14Å; T152-F156 PolarHBondContact O-N 2.74Å; F156-K159 PolarHBondContact O-N 3.43Å; F156-V160 HydrophobicContact CD1-CB 3.94Å; F156-V160 HydrophobicContact CD1-CG2 4.16Å; F156-V160 HydrophobicContact CD2-CG2 4.4Å; F156-V160 HydrophobicContact CE1-CB 3.71Å; F156-V160 HydrophobicContact CE1-CG1 3.83Å; F156-V160 HydrophobicContact CE1-CG2 4.03Å; F156-V160 HydrophobicContact CE2-CG2 4.32Å; F156-V160 HydrophobicContact CG-CG2 4.33Å; F156-V160 HydrophobicContact CZ-CB 4.2Å; F156-V160 HydrophobicContact CZ-CG1 4.11Å; F156-V160 HydrophobicContact CZ-CG2 4.11Å; F156-V160 WeakPolarHBondContact O-CA 3.42Å; F156-V160 VanDerWaalsContact O-CB 3.29Å; F156-V160 WeakPolarHBondContact O-CB 3.48Å; F156-V160 PolarHBondContact O-N 3.15Å; F156-L161 HydrophobicContact CD1-CG 4.21Å; F156-L161 HydrophobicContact CE1-CD2 4.32Å; F156-L161 HydrophobicContact CE1-CG 4.32Å; F156-L161 PolarHBondContact O-N 3.31Å; F156-V169 HydrophobicContact CE2-CG1 4.18Å; F156-F171 HydrophobicContact CE2-CE1 4.45Å; F156-F171 AromaticContact CE2-CZ 3.97Å; F156-F171 HydrophobicContact CE2-CZ 3.97Å; F156-F171 HydrophobicContact CZ-CZ 4.24Å; F156-L202 HydrophobicContact CD2-CD1 3.7Å; F156-L202 HydrophobicContact CE2-CD1 4.18Å; F156-M210 HydrophobicContact CB-CG 3.73Å; F156-M210 HydrophobicContact CB-SD 3.82Å; F156-M210 HydrophobicContact CD1-CG 4.32Å; F156-M210 HydrophobicContact CD1-SD 3.58Å; F156-M210 VanDerWaalsContact CD1-SD 3.58Å; F156-M210 HydrophobicContact CD2-CB 4.3Å; F156-M210 HydrophobicContact CD2-CG 3.86Å; F156-M210 HydrophobicContact CD2-SD 4.19Å; F156-M210 HydrophobicContact CE1-SD 4.22Å; F156-M210 HydrophobicContact CG-CG 3.71Å; F156-M210 HydrophobicContact CG-SD 3.59Å; F156-M210 VanDerWaalsContact CG-SD 3.59Å; F156-Y214 HydrophobicContact CD1-CE2 4.41Å; F156-Y214 AromaticContact CE1-CE2 3.63Å; F156-Y214 HydrophobicContact CE1-CE2 3.63Å; F156-Y214 AromaticContact CE1-CZ 3.94Å; F156-Y214 WeakPolarHBondContact CE1-OH 3.41Å; F156-Y214 HydrophobicContact CE2-CE2 4.42Å; F156-Y214 HydrophobicContact CZ-CD2 4.44Å; F156-Y214 AromaticContact CZ-CE2 3.63Å; F156-Y214 HydrophobicContact CZ-CE2 3.63Å; F156-F225 HydrophobicContact CE1-CE1 4.24Å; F156-F225 HydrophobicContact CE1-CZ 4.08Å; F156-F225 HydrophobicContact CZ-CE1 4.24Å; F156-F225 AromaticContact CZ-CE2 3.97Å; F156-F225 HydrophobicContact CZ-CE2 3.97Å; F156-F225 AromaticContact CZ-CZ 3.63Å; F156-F225 HydrophobicContact CZ-CZ 3.63Å
157	D	93.8	Very high	93.7	Very high	54 Å²	54	49.5 Å²	49.5	29%	0.289	26%	0.258	S	S	.	.	I	π-helix	trans	-63.5	-46.9	-176.4	-56.5	-34.4	0	0	0	110.7	N155 L161 N162 R209	N155-D157 VanDerWaalsContact C-N 3.34Å; N155-D157 PolarHBondContact O-N 3.41Å; D157-L161 HydrophobicContact CB-CD1 4.38Å; D157-L161 CarbonylContact O-C 3.51Å; D157-L161 WeakPolarHBondContact O-CA 3.39Å; D157-L161 WeakPolarHBondContact O-CB 3.42Å; D157-L161 PolarHBondContact O-N 3.34Å; D157-L161 VanDerWaalsContact O-N 3.11Å; D157-L161 VanDerWaalsContact OD1-CD1 3.27Å; D157-L161 WeakPolarHBondContact OD1-CD1 3.23Å; D157-N162 PolarHBondContact O-N 2.67Å; D157-R209 IonicContact OD1-NH2 3.69Å; D157-R209 IonicContact OD2-CZ 3.93Å; D157-R209 IonicContact OD2-NH2 3.31Å; D157-R209 PolarHBondContact OD2-NH2 2.95Å
158	E	93.8	Very high	94.2	Very high	145 Å²	145	47.6 Å²	47.6	68%	0.678	25%	0.248	S	C	*	.	I	π-helix	trans	-64.4	-48.1	178.1	-175.5	-170.5	171.9	0	0	112.3	N155	N155-E158 PolarHBondContact O-N 3.36Å
159	K	94.7	Very high	94.3	Very high	76 Å²	76	46.8 Å²	46.8	33%	0.33	24%	0.243	S	C	.	.	I	π-helix	trans	-77.7	-41.3	-173.5	-73.2	-173.4	173.1	-175.7	0	113.1	I149 E150 L151 N155 F156 S163 W167	I149-K159 HydrophobicContact CG2-CD 4.16Å; E150-K159 PolarHBondContact O-NZ 2.85Å; L151-K159 HydrophobicContact CD2-CB 3.96Å; L151-K159 HydrophobicContact CD2-CD 3.76Å; N155-K159 HydrophobicContact CB-CD 4.36Å; N155-K159 WeakPolarHBondContact O-CB 3.41Å; N155-K159 PolarHBondContact O-N 3Å; F156-K159 PolarHBondContact O-N 3.43Å; K159-S163 WeakPolarHBondContact O-CB 3.42Å; K159-W167 HydrophobicContact CB-CH2 3.97Å; K159-W167 HydrophobicContact CB-CZ2 4.23Å; K159-W167 WeakPolarHBondContact O-CZ2 3.37Å; K159-W167 PolarHBondContact O-NE1 2.78Å
160	V	97	Very high	94.5	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.233	C	C	.	.	I	π-helix	trans	-101.9	-55	-171.6	-173.6	0	0	0	0	110.6	L151 F156 S163 W167 F225 K230	L151-V160 HydrophobicContact CD1-CG2 3.61Å; L151-V160 HydrophobicContact CD2-CG2 3.94Å; L151-V160 HydrophobicContact CG-CG2 4.46Å; F156-V160 HydrophobicContact CD1-CB 3.94Å; F156-V160 HydrophobicContact CD1-CG2 4.16Å; F156-V160 HydrophobicContact CD2-CG2 4.4Å; F156-V160 HydrophobicContact CE1-CB 3.71Å; F156-V160 HydrophobicContact CE1-CG1 3.83Å; F156-V160 HydrophobicContact CE1-CG2 4.03Å; F156-V160 HydrophobicContact CE2-CG2 4.32Å; F156-V160 HydrophobicContact CG-CG2 4.33Å; F156-V160 HydrophobicContact CZ-CB 4.2Å; F156-V160 HydrophobicContact CZ-CG1 4.11Å; F156-V160 HydrophobicContact CZ-CG2 4.11Å; F156-V160 WeakPolarHBondContact O-CA 3.42Å; F156-V160 VanDerWaalsContact O-CB 3.29Å; F156-V160 WeakPolarHBondContact O-CB 3.48Å; F156-V160 PolarHBondContact O-N 3.15Å; V160-S163 PolarHBondContact O-N 3.48Å; V160-W167 HydrophobicContact CG1-CB 4.08Å; V160-W167 HydrophobicContact CG1-CD2 4.48Å; V160-W167 HydrophobicContact CG1-CG 4.06Å; V160-W167 HydrophobicContact CG2-CD2 4Å; V160-W167 HydrophobicContact CG2-CE3 3.9Å; V160-W167 HydrophobicContact CG2-CG 4.43Å; V160-W167 HydrophobicContact CG2-CZ3 4.31Å; V160-F225 HydrophobicContact CG1-CB 4.08Å; V160-F225 HydrophobicContact CG1-CD1 3.92Å; V160-F225 HydrophobicContact CG1-CD2 4Å; V160-F225 HydrophobicContact CG1-CE1 4.38Å; V160-F225 HydrophobicContact CG1-CE2 4.46Å; V160-F225 HydrophobicContact CG1-CG 3.72Å; V160-K230 WeakPolarHBondContact O-CE 3.41Å; V160-K230 WeakPolarHBondContact O-CG 3.36Å
161	L	95	Very high	94.8	Very high	32 Å²	32	41.3 Å²	41.3	17%	0.168	22%	0.216	C	C	.	.	I	π-helix	trans	-71.4	-36.5	-171	-61.2	-174.8	0	0	0	113.4	F156 D157 S163 Y214 K230	F156-L161 HydrophobicContact CD1-CG 4.21Å; F156-L161 HydrophobicContact CE1-CD2 4.32Å; F156-L161 HydrophobicContact CE1-CG 4.32Å; F156-L161 PolarHBondContact O-N 3.31Å; D157-L161 HydrophobicContact CB-CD1 4.38Å; D157-L161 CarbonylContact O-C 3.51Å; D157-L161 WeakPolarHBondContact O-CA 3.39Å; D157-L161 WeakPolarHBondContact O-CB 3.42Å; D157-L161 PolarHBondContact O-N 3.34Å; D157-L161 VanDerWaalsContact O-N 3.11Å; D157-L161 VanDerWaalsContact OD1-CD1 3.27Å; D157-L161 WeakPolarHBondContact OD1-CD1 3.23Å; L161-S163 VanDerWaalsContact C-N 3.34Å; L161-Y214 WeakPolarHBondContact CD2-OH 3.49Å; L161-K230 HydrophobicContact CD2-CB 3.92Å; L161-K230 HydrophobicContact CD2-CG 4.39Å; L161-K230 WeakPolarHBondContact O-CG 3.42Å
162	N	94	Very high	94.8	Very high	120 Å²	120	42.9 Å²	42.9	64%	0.642	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-3.8	177.3	-64.4	-17	0	0	0	113.2	D157	D157-N162 PolarHBondContact O-N 2.67Å
163	S	93.8	Very high	94.7	Very high	16 Å²	16	41.9 Å²	41.9	11%	0.112	22%	0.217	C	C	.	.			trans	-82.9	142.3	179.2	177.4	0	0	0	0	111.6	K159 V160 L161 E165 W167 K230	K159-S163 WeakPolarHBondContact O-CB 3.42Å; V160-S163 PolarHBondContact O-N 3.48Å; L161-S163 VanDerWaalsContact C-N 3.34Å; S163-E165 PolarHBondContact OG-N 3.5Å; S163-E165 VanDerWaalsContact OG-N 3.09Å; S163-W167 PolarHBondContact OG-NE1 3.27Å; S163-W167 VanDerWaalsContact OG-NE1 3.08Å; S163-K230 PolarHBondContact O-NZ 3.46Å
164	Q	91.9	Very high	94.4	Very high	119 Å²	119	43.3 Å²	43.3	56%	0.556	23%	0.227	S	C	*	.	S	Bend	trans	-88.4	-9	170.9	-59.2	-56.8	-51.8	0	0	112.6	A227 G228	Q164-A227 WeakPolarHBondContact O-CA 3.44Å; Q164-A227 WeakPolarHBondContact O-CB 3.1Å; Q164-G228 PolarHBondContact O-N 3.12Å; Q164-G228 VanDerWaalsContact OE1-C 3.27Å; Q164-G228 VanDerWaalsContact OE1-CA 3.23Å
165	E	94.7	Very high	94.2	Very high	87 Å²	87	43.9 Å²	43.9	41%	0.407	21%	0.213	S	C	.	.	S	Bend	trans	-80.4	156.8	179.4	-63.3	176	100.1	0	0	110.6	S163 W167 K198 K230	S163-E165 PolarHBondContact OG-N 3.5Å; S163-E165 VanDerWaalsContact OG-N 3.09Å; E165-W167 VanDerWaalsContact O-CD1 3.28Å; E165-K198 HydrophobicContact CB-CG 4.39Å; E165-K198 WeakPolarHBondContact OE1-CE 3.26Å; E165-K198 IonicContact OE1-NZ 2.72Å; E165-K198 PolarHBondContact OE1-NZ 2.88Å; E165-K198 WeakPolarHBondContact OE2-CE 3.27Å; E165-K198 IonicContact OE2-NZ 3.56Å; E165-K198 PolarHBondContact OE2-NZ 2.8Å; E165-K230 PolarHBondContact O-NZ 3.46Å
166	P	96.4	Very high	93.9	Very high	16 Å²	16	43.2 Å²	43.2	10%	0.104	21%	0.211	C	C	.	.			trans	-76.4	137.5	171.9	30.3	-31.7	0	0	0	110.8	T196 V197 K198 F224 F225 A227 A254	P166-T196 WeakPolarHBondContact CG-O 2.87Å; P166-V197 HydrophobicContact CB-CG2 4.44Å; P166-V197 HydrophobicContact CG-CG2 4.1Å; P166-K198 PolarHBondContact O-N 2.87Å; P166-F224 HydrophobicContact CB-CE2 3.92Å; P166-F224 HydrophobicContact CB-CZ 3.65Å; P166-F225 WeakPolarHBondContact CA-O 3.41Å; P166-A227 HydrophobicContact CB-CB 4.29Å; P166-A227 HydrophobicContact CG-CB 4.44Å; P166-A254 HydrophobicContact CB-CB 4.39Å; P166-A254 HydrophobicContact CG-CB 4.16Å
167	W	98.2	Very high	93.4	Very high	11 Å²	11	45.2 Å²	45.2	4%	0.042	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	140.1	179.1	-71.7	73.4	0	0	0	111.8	I149 L151 K159 V160 S163 E165 V169 K198 A200 F224 F225	I149-W167 HydrophobicContact CB-CZ3 4.13Å; I149-W167 HydrophobicContact CD1-CH2 3.58Å; I149-W167 HydrophobicContact CD1-CZ3 3.67Å; I149-W167 HydrophobicContact CG2-CH2 4.2Å; I149-W167 HydrophobicContact CG2-CZ3 4.05Å; L151-W167 HydrophobicContact CD2-CZ3 4.27Å; K159-W167 HydrophobicContact CB-CH2 3.97Å; K159-W167 HydrophobicContact CB-CZ2 4.23Å; K159-W167 WeakPolarHBondContact O-CZ2 3.37Å; K159-W167 PolarHBondContact O-NE1 2.78Å; V160-W167 HydrophobicContact CG1-CB 4.08Å; V160-W167 HydrophobicContact CG1-CD2 4.48Å; V160-W167 HydrophobicContact CG1-CG 4.06Å; V160-W167 HydrophobicContact CG2-CD2 4Å; V160-W167 HydrophobicContact CG2-CE3 3.9Å; V160-W167 HydrophobicContact CG2-CG 4.43Å; V160-W167 HydrophobicContact CG2-CZ3 4.31Å; S163-W167 PolarHBondContact OG-NE1 3.27Å; S163-W167 VanDerWaalsContact OG-NE1 3.08Å; E165-W167 VanDerWaalsContact O-CD1 3.28Å; W167-V169 HydrophobicContact CB-CG2 4.36Å; W167-K198 CarbonylContact C-O 3.53Å; W167-K198 VanDerWaalsContact CA-O 3.32Å; W167-K198 WeakPolarHBondContact CA-O 3.37Å; W167-K198 HydrophobicContact CD2-CB 3.38Å; W167-K198 HydrophobicContact CD2-CG 4.02Å; W167-K198 HydrophobicContact CE3-CB 3.52Å; W167-K198 HydrophobicContact CE3-CG 4.46Å; W167-K198 HydrophobicContact CG-CB 3.88Å; W167-K198 HydrophobicContact CG-CG 4.48Å; W167-K198 HydrophobicContact CH2-CB 4.04Å; W167-K198 HydrophobicContact CH2-CG 4.28Å; W167-K198 HydrophobicContact CZ2-CB 3.9Å; W167-K198 HydrophobicContact CZ2-CG 3.8Å; W167-K198 HydrophobicContact CZ3-CB 3.86Å; W167-A200 HydrophobicContact CE3-CB 3.89Å; W167-A200 HydrophobicContact CZ3-CB 3.9Å; W167-F224 CarbonylContact O-C 3.54Å; W167-F224 WeakPolarHBondContact O-CA 3.46Å; W167-F224 WeakPolarHBondContact O-CD2 3.39Å; W167-F225 HydrophobicContact CB-CB 4.07Å; W167-F225 PolarHBondContact N-O 3.19Å; W167-F225 PolarHBondContact O-N 2.87Å
168	L	98.5	Very high	93.4	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	114.8	171.5	-171.5	76.4	0	0	0	108.3	W186 L193 V197 K198 V199 A200 I222 F224 I246 W249 A250	L168-W186 HydrophobicContact CD2-CH2 3.41Å; L168-W186 VanDerWaalsContact CD2-CH2 3.41Å; L168-W186 HydrophobicContact CD2-CZ2 4.23Å; L168-W186 HydrophobicContact CD2-CZ3 3.75Å; L168-W186 HydrophobicContact CG-CH2 3.58Å; L168-W186 HydrophobicContact CG-CZ2 4.25Å; L168-W186 HydrophobicContact CG-CZ3 4.36Å; L168-L193 HydrophobicContact CD2-CD1 4.42Å; L168-V197 HydrophobicContact CB-CG1 3.82Å; L168-K198 PolarHBondContact N-O 2.79Å; L168-V199 CarbonylContact O-C 3.51Å; L168-V199 WeakPolarHBondContact O-CA 3.45Å; L168-A200 PolarHBondContact O-N 3.43Å; L168-I222 HydrophobicContact CD1-CG2 3.68Å; L168-I222 HydrophobicContact CG-CG2 3.99Å; L168-F224 HydrophobicContact CB-CD2 4.42Å; L168-F224 HydrophobicContact CD1-CB 4.01Å; L168-F224 HydrophobicContact CD1-CD2 3.98Å; L168-I246 HydrophobicContact CD2-CG2 3.65Å; L168-W249 HydrophobicContact CD1-CE3 4.41Å; L168-W249 HydrophobicContact CD1-CZ3 3.76Å; L168-A250 HydrophobicContact CD2-CB 4.14Å
169	V	98.5	Very high	93.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	123.2	-170.3	-175.8	0	0	0	0	110.5	L151 F156 W167 F171 A200 I222 K223 F225	L151-V169 HydrophobicContact CD1-CG1 3.82Å; L151-V169 HydrophobicContact CD1-CG2 3.88Å; F156-V169 HydrophobicContact CE2-CG1 4.18Å; W167-V169 HydrophobicContact CB-CG2 4.36Å; V169-F171 HydrophobicContact CB-CE2 4.13Å; V169-F171 HydrophobicContact CG1-CD2 4.15Å; V169-F171 HydrophobicContact CG1-CE2 3.72Å; V169-F171 HydrophobicContact CG1-CZ 4.08Å; V169-A200 WeakPolarHBondContact CA-O 3.49Å; V169-A200 HydrophobicContact CG2-CB 4.28Å; V169-I222 WeakPolarHBondContact O-CA 3.44Å; V169-K223 PolarHBondContact N-O 3.1Å; V169-K223 PolarHBondContact O-N 3.4Å; V169-F225 HydrophobicContact CB-CD2 4.46Å; V169-F225 HydrophobicContact CB-CE2 4.06Å; V169-F225 HydrophobicContact CG2-CD2 3.79Å; V169-F225 HydrophobicContact CG2-CE2 3.72Å
170	E	98.4	Very high	93	Very high	9 Å²	9	43.3 Å²	43.3	4%	0.042	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	122.6	167.3	-174.6	-167.3	-178.5	0	0	110.2	F172 L182 W186 A200 A201 L202 P220 I222	E170-F172 HydrophobicContact CG-CB 4.11Å; E170-F172 WeakPolarHBondContact OE1-CB 3.2Å; E170-L182 HydrophobicContact CG-CD2 4.21Å; E170-L182 WeakPolarHBondContact OE1-CD2 3Å; E170-W186 HydrophobicContact CB-CD2 4.26Å; E170-W186 HydrophobicContact CB-CH2 4.1Å; E170-W186 HydrophobicContact CB-CZ2 3.55Å; E170-A200 PolarHBondContact N-O 2.9Å; E170-A201 HydrophobicContact CB-CB 4.48Å; E170-A201 CarbonylContact O-C 3.44Å; E170-A201 WeakPolarHBondContact O-CA 3.39Å; E170-L202 PolarHBondContact O-N 3.12Å; E170-P220 HydrophobicContact CG-CB 3.97Å; E170-P220 WeakPolarHBondContact OE1-CB 2.89Å; E170-I222 HydrophobicContact CB-CG1 4.32Å; E170-I222 HydrophobicContact CG-CG1 4.29Å
171	F	98	Very high	92.7	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	111.9	164.4	-64.6	-99.1	0	0	0	108.3	F156 V169 L202 A204 M210 Y214 I216 P220 T221 K223	F156-F171 HydrophobicContact CE2-CE1 4.45Å; F156-F171 AromaticContact CE2-CZ 3.97Å; F156-F171 HydrophobicContact CE2-CZ 3.97Å; F156-F171 HydrophobicContact CZ-CZ 4.24Å; V169-F171 HydrophobicContact CB-CE2 4.13Å; V169-F171 HydrophobicContact CG1-CD2 4.15Å; V169-F171 HydrophobicContact CG1-CE2 3.72Å; V169-F171 HydrophobicContact CG1-CZ 4.08Å; F171-L202 WeakPolarHBondContact CA-O 3.5Å; F171-L202 HydrophobicContact CD1-CB 4.44Å; F171-L202 HydrophobicContact CD1-CD2 3.69Å; F171-L202 HydrophobicContact CE1-CD1 4.43Å; F171-L202 HydrophobicContact CE1-CD2 3.93Å; F171-A204 HydrophobicContact CB-CB 4.36Å; F171-M210 HydrophobicContact CE1-CB 4.35Å; F171-Y214 HydrophobicContact CE1-CD2 4.23Å; F171-Y214 AromaticContact CZ-CD2 3.72Å; F171-Y214 HydrophobicContact CZ-CD2 3.72Å; F171-Y214 HydrophobicContact CZ-CE2 4.37Å; F171-Y214 HydrophobicContact CZ-CG 4.47Å; F171-I216 HydrophobicContact CB-CD1 3.95Å; F171-I216 HydrophobicContact CB-CG1 4.03Å; F171-I216 HydrophobicContact CB-CG2 4Å; F171-I216 HydrophobicContact CD1-CD1 3.96Å; F171-I216 HydrophobicContact CD1-CG1 3.66Å; F171-I216 HydrophobicContact CD2-CD1 3.69Å; F171-I216 HydrophobicContact CD2-CG1 4.34Å; F171-I216 HydrophobicContact CE1-CD1 4.41Å; F171-I216 HydrophobicContact CE1-CG1 4.2Å; F171-I216 HydrophobicContact CE2-CD1 4.18Å; F171-I216 HydrophobicContact CG-CD1 3.58Å; F171-I216 HydrophobicContact CG-CG1 3.75Å; F171-P220 WeakPolarHBondContact O-CA 3.25Å; F171-T221 PolarHBondContact N-O 2.94Å; F171-T221 PolarHBondContact O-N 3.45Å; F171-K223 HydrophobicContact CD2-CD 4.32Å; F171-K223 HydrophobicContact CD2-CG 4.48Å; F171-K223 HydrophobicContact CE2-CB 4.16Å; F171-K223 HydrophobicContact CE2-CD 3.86Å; F171-K223 HydrophobicContact CE2-CG 4.23Å
172	F	95.2	Very high	92.7	Very high	34 Å²	34	47.5 Å²	47.5	15%	0.149	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	170.7	-172.4	79.8	-84.5	0	0	0	112.6	E170 P174 C179 A201 L202 D203 A204	E170-F172 HydrophobicContact CG-CB 4.11Å; E170-F172 WeakPolarHBondContact OE1-CB 3.2Å; F172-P174 HydrophobicContact CE2-CG 4.11Å; F172-C179 HydrophobicContact CB-CB 4.08Å; F172-A201 HydrophobicContact CD1-CB 4.05Å; F172-A201 HydrophobicContact CE1-CB 3.95Å; F172-L202 VanDerWaalsContact CD1-C 3.49Å; F172-L202 VanDerWaalsContact CD1-O 3.24Å; F172-L202 WeakPolarHBondContact CD1-O 2.8Å; F172-L202 VanDerWaalsContact CE1-C 3.46Å; F172-L202 PolarHBondContact N-O 3.04Å; F172-D203 HydrophobicContact CE1-CB 4.06Å; F172-D203 HydrophobicContact CE2-CB 4.33Å; F172-D203 HydrophobicContact CZ-CB 3.83Å; F172-A204 PolarHBondContact O-N 2.73Å
173	A	87.8	Confident	92.6	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.232	C	C	.	.			trans	-128.9	132.6	167.3	0	0	0	0	0	109.6	W175 C176 T205 Y219	A173-W175 HydrophobicContact CB-CD2 4.16Å; A173-W175 HydrophobicContact CB-CH2 4.42Å; A173-W175 HydrophobicContact CB-CZ2 3.9Å; A173-W175 PolarHBondContact O-N 2.85Å; A173-C176 HydrophobicContact CB-CB 4.15Å; A173-C176 WeakPolarHBondContact O-CB 3.42Å; A173-C176 PolarHBondContact O-N 2.9Å; A173-T205 HydrophobicContact CB-CG2 3.47Å; A173-T205 VanDerWaalsContact CB-CG2 3.47Å; A173-Y219 HydrophobicContact CB-CD1 4.41Å; A173-Y219 HydrophobicContact CB-CD2 3.4Å; A173-Y219 HydrophobicContact CB-CE2 3.7Å; A173-Y219 HydrophobicContact CB-CG 3.78Å
174	P	84.6	Confident	92.6	Very high	57 Å²	57	49.3 Å²	49.3	37%	0.37	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-26.3	-173.9	-26.9	33.4	0	0	0	114.4	F172 K180 D203	F172-P174 HydrophobicContact CE2-CG 4.11Å; P174-K180 WeakPolarHBondContact O-CE 3.28Å; P174-D203 WeakPolarHBondContact CD-OD1 3.01Å; P174-D203 VanDerWaalsContact CD-OD2 3.3Å; P174-D203 WeakPolarHBondContact CD-OD2 3.5Å; P174-D203 WeakPolarHBondContact CG-OD2 3.26Å
175	W	83.4	Confident	92.7	Very high	118 Å²	118	47.1 Å²	47.1	45%	0.447	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-8.9	-177.7	52.3	-106.1	0	0	0	114.4	S90 A173 G177 Y219	S90-W175 WeakPolarHBondContact OG-CB 3.44Å; A173-W175 HydrophobicContact CB-CD2 4.16Å; A173-W175 HydrophobicContact CB-CH2 4.42Å; A173-W175 HydrophobicContact CB-CZ2 3.9Å; A173-W175 PolarHBondContact O-N 2.85Å; W175-G177 PolarHBondContact O-N 3.01Å; W175-Y219 HydrophobicContact CH2-CD2 4.19Å; W175-Y219 HydrophobicContact CH2-CE2 4.32Å; W175-Y219 HydrophobicContact CZ2-CD2 4.38Å; W175-Y219 HydrophobicContact CZ2-CE2 4.19Å
176	C	88.1	Confident	92.8	Very high	13 Å²	13	43 Å²	43	9%	0.088	22%	0.222	C	C	.	.			trans	-75.6	121.6	-177	179.1	0	0	0	0	111.3	A173 H178 C179 K180 Y219	A173-C176 HydrophobicContact CB-CB 4.15Å; A173-C176 WeakPolarHBondContact O-CB 3.42Å; A173-C176 PolarHBondContact O-N 2.9Å; C176-H178 VanDerWaalsContact C-N 3.28Å; C176-H178 PolarHBondContact O-N 3.39Å; C176-C179 HydrophobicContact CB-CB 3.97Å; C176-C179 VanDerWaalsContact CB-SG 3.59Å; C176-C179 PolarHBondContact O-N 2.91Å; C176-C179 VanDerWaalsContact SG-SG 3.69Å; C176-K180 PolarHBondContact O-N 3.36Å; C176-K180 VanDerWaalsContact O-N 3.1Å; C176-Y219 PolarHBondContact SG-O 3.04Å
177	G	86.5	Confident	92.8	Very high	42 Å²	42	43.5 Å²	43.5	43%	0.433	22%	0.223	S	C	.	.	H	α-helix	trans	-60.7	-36.5	177.6	0	0	0	0	0	113.1	W175 K180 N181	W175-G177 PolarHBondContact O-N 3.01Å; G177-K180 PolarHBondContact O-N 2.91Å; G177-N181 PolarHBondContact O-N 3.09Å
178	H	91.9	Very high	92.6	Very high	112 Å²	112	46.3 Å²	46.3	52%	0.519	24%	0.236	S	C	.	.	H	α-helix	trans	-66.1	-37.9	176.6	-60.3	145.6	0	0	0	112.7	C176 N181 L182	C176-H178 VanDerWaalsContact C-N 3.28Å; C176-H178 PolarHBondContact O-N 3.39Å; H178-N181 PolarHBondContact O-N 2.88Å; H178-L182 WeakPolarHBondContact O-CB 3.36Å; H178-L182 PolarHBondContact O-N 3.48Å
179	C	91.3	Very high	92.4	Very high	7 Å²	7	46.3 Å²	46.3	5%	0.047	24%	0.236	C	C	.	.	H	α-helix	trans	-65.6	-43	175.1	-63	0	0	0	0	111.2	F172 C176 N181 L182 K183	F172-C179 HydrophobicContact CB-CB 4.08Å; C176-C179 HydrophobicContact CB-CB 3.97Å; C176-C179 VanDerWaalsContact CB-SG 3.59Å; C176-C179 PolarHBondContact O-N 2.91Å; C176-C179 VanDerWaalsContact SG-SG 3.69Å; C179-N181 VanDerWaalsContact C-N 3.29Å; C179-N181 PolarHBondContact O-N 2.86Å; C179-L182 PolarHBondContact O-N 3.29Å; C179-L182 VanDerWaalsContact O-N 3.12Å; C179-K183 PolarHBondContact O-N 3.26Å
180	K	89.4	Confident	92.4	Very high	116 Å²	116	46.5 Å²	46.5	50%	0.504	24%	0.237	S	C	.	.	H	α-helix	trans	-59.9	-39.9	175.9	-68.1	-177.7	-177.8	-171	0	112.3	P174 C176 G177 P184	P174-K180 WeakPolarHBondContact O-CE 3.28Å; C176-K180 PolarHBondContact O-N 3.36Å; C176-K180 VanDerWaalsContact O-N 3.1Å; G177-K180 PolarHBondContact O-N 2.91Å; K180-P184 WeakPolarHBondContact O-CD 3.36Å
181	N	91.2	Very high	92.2	Very high	119 Å²	119	51.5 Å²	51.5	64%	0.636	26%	0.256	S	S	*	.	H	α-helix	trans	-70.8	-32.1	176	-69.4	-7.5	0	0	0	112.7	G177 H178 C179 P184	G177-N181 PolarHBondContact O-N 3.09Å; H178-N181 PolarHBondContact O-N 2.88Å; C179-N181 VanDerWaalsContact C-N 3.29Å; C179-N181 PolarHBondContact O-N 2.86Å; N181-P184 WeakPolarHBondContact O-CD 3.4Å
182	L	95	Very high	92	Very high	2 Å²	2	56.1 Å²	56.1	1%	0.01	28%	0.278	C	S	.	.	H	α-helix	trans	-73.6	-36.4	177.8	175.1	62.1	0	0	0	112.1	E170 H178 C179 H185 W186 P220 I222 R241 I246	E170-L182 HydrophobicContact CG-CD2 4.21Å; E170-L182 WeakPolarHBondContact OE1-CD2 3Å; H178-L182 WeakPolarHBondContact O-CB 3.36Å; H178-L182 PolarHBondContact O-N 3.48Å; C179-L182 PolarHBondContact O-N 3.29Å; C179-L182 VanDerWaalsContact O-N 3.12Å; L182-H185 HydrophobicContact CD1-CB 4.35Å; L182-H185 CarbonylContact O-C 3.57Å; L182-H185 WeakPolarHBondContact O-CA 3.45Å; L182-H185 WeakPolarHBondContact O-CB 3.44Å; L182-H185 PolarHBondContact O-N 3.45Å; L182-W186 HydrophobicContact CD1-CE3 4.41Å; L182-W186 HydrophobicContact CD2-CE3 4.47Å; L182-W186 HydrophobicContact CG-CB 4.33Å; L182-W186 PolarHBondContact O-N 3.07Å; L182-P220 HydrophobicContact CB-CG 4.49Å; L182-P220 HydrophobicContact CD2-CB 3.73Å; L182-P220 HydrophobicContact CD2-CG 3.6Å; L182-I222 HydrophobicContact CD2-CD1 3.9Å; L182-I222 HydrophobicContact CD2-CG1 4.5Å; L182-R241 HydrophobicContact CD1-CB 3.98Å; L182-R241 HydrophobicContact CD1-CG 4.38Å; L182-I246 HydrophobicContact CD1-CD1 3.68Å
183	K	92.6	Very high	92.1	Very high	95 Å²	95	54.6 Å²	54.6	41%	0.413	27%	0.271	S	S	.	.	H	α-helix	trans	-42.5	-53.8	-175.1	179.9	162.7	-179.7	51.4	0	115.1	D146 C179 H185 W186 D187	D146-K183 IonicContact OD2-NZ 3.82Å; D146-K183 PolarHBondContact OD2-NZ 2.86Å; D146-K183 VanDerWaalsContact OD2-NZ 3.16Å; C179-K183 PolarHBondContact O-N 3.26Å; K183-H185 VanDerWaalsContact C-N 3.26Å; K183-H185 PolarHBondContact O-N 3.26Å; K183-W186 WeakPolarHBondContact O-CB 3.35Å; K183-W186 PolarHBondContact O-N 2.71Å; K183-W186 VanDerWaalsContact O-N 3.09Å; K183-D187 WeakPolarHBondContact CE-OD2 3.38Å; K183-D187 VanDerWaalsContact NZ-CG 3.28Å; K183-D187 IonicContact NZ-OD1 3.78Å; K183-D187 PolarHBondContact NZ-OD1 3.24Å; K183-D187 IonicContact NZ-OD2 3.15Å; K183-D187 PolarHBondContact NZ-OD2 3.5Å; K183-D187 PolarHBondContact O-N 3.32Å
184	P	92	Very high	92.3	Very high	78 Å²	78	61 Å²	61	51%	0.506	30%	0.298	S	S	.	.	H	α-helix	trans	-62	-32.5	-179.6	23.7	-34.7	0	0	0	113.6	K180 N181 K188	K180-P184 WeakPolarHBondContact O-CD 3.36Å; N181-P184 WeakPolarHBondContact O-CD 3.4Å; P184-K188 WeakPolarHBondContact O-CB 3.26Å; P184-K188 PolarHBondContact O-N 3.34Å
185	H	95.3	Very high	92.6	Very high	73 Å²	73	61.7 Å²	61.7	34%	0.338	32%	0.316	S	S	.	.	H	α-helix	trans	-74.6	-36.3	174.3	-66.4	-67.8	0	0	0	112.1	L182 K183 K188 A189 R241 S243	L182-H185 HydrophobicContact CD1-CB 4.35Å; L182-H185 CarbonylContact O-C 3.57Å; L182-H185 WeakPolarHBondContact O-CA 3.45Å; L182-H185 WeakPolarHBondContact O-CB 3.44Å; L182-H185 PolarHBondContact O-N 3.45Å; K183-H185 VanDerWaalsContact C-N 3.26Å; K183-H185 PolarHBondContact O-N 3.26Å; H185-K188 PolarHBondContact O-N 3.02Å; H185-A189 WeakPolarHBondContact O-CB 3.28Å; H185-A189 PolarHBondContact O-N 3.42Å; H185-R241 PolarHBondContact CD2-O 3.19Å; H185-S243 PolarHBondContact ND1-N 3.4Å
186	W	97.5	Very high	92.9	Very high	2 Å²	2	58.5 Å²	58.5	1%	0.008	31%	0.31	C	S	.	.	H	α-helix	trans	-65	-48.4	176.6	-161.5	-116.2	0	0	0	111.9	V148 L168 E170 L182 K183 K188 A189 A190 V199 A200 I222 I246	V148-W186 VanDerWaalsContact CG2-CD1 3.49Å; V148-W186 HydrophobicContact CG2-CG 4.4Å; L168-W186 HydrophobicContact CD2-CH2 3.41Å; L168-W186 VanDerWaalsContact CD2-CH2 3.41Å; L168-W186 HydrophobicContact CD2-CZ2 4.23Å; L168-W186 HydrophobicContact CD2-CZ3 3.75Å; L168-W186 HydrophobicContact CG-CH2 3.58Å; L168-W186 HydrophobicContact CG-CZ2 4.25Å; L168-W186 HydrophobicContact CG-CZ3 4.36Å; E170-W186 HydrophobicContact CB-CD2 4.26Å; E170-W186 HydrophobicContact CB-CH2 4.1Å; E170-W186 HydrophobicContact CB-CZ2 3.55Å; L182-W186 HydrophobicContact CD1-CE3 4.41Å; L182-W186 HydrophobicContact CD2-CE3 4.47Å; L182-W186 HydrophobicContact CG-CB 4.33Å; L182-W186 PolarHBondContact O-N 3.07Å; K183-W186 WeakPolarHBondContact O-CB 3.35Å; K183-W186 PolarHBondContact O-N 2.71Å; K183-W186 VanDerWaalsContact O-N 3.09Å; W186-K188 VanDerWaalsContact C-N 3.25Å; W186-K188 PolarHBondContact O-N 3.35Å; W186-A189 PolarHBondContact O-N 3.41Å; W186-A189 VanDerWaalsContact O-N 3.12Å; W186-A190 PolarHBondContact O-N 3.08Å; W186-V199 HydrophobicContact CD2-CG1 4.06Å; W186-V199 HydrophobicContact CH2-CG1 4.37Å; W186-V199 HydrophobicContact CZ2-CG1 3.57Å; W186-A200 WeakPolarHBondContact CZ2-O 3.44Å; W186-A200 PolarHBondContact NE1-O 3.24Å; W186-I222 HydrophobicContact CE3-CD1 4.34Å; W186-I222 HydrophobicContact CH2-CB 4.41Å; W186-I222 HydrophobicContact CH2-CD1 4.16Å; W186-I222 HydrophobicContact CH2-CG1 3.89Å; W186-I222 HydrophobicContact CH2-CG2 3.66Å; W186-I222 HydrophobicContact CZ3-CD1 3.62Å; W186-I222 HydrophobicContact CZ3-CG1 3.88Å; W186-I222 HydrophobicContact CZ3-CG2 4.08Å; W186-I246 HydrophobicContact CE3-CD1 4.01Å; W186-I246 HydrophobicContact CE3-CG2 4.3Å; W186-I246 HydrophobicContact CZ3-CD1 4.16Å; W186-I246 HydrophobicContact CZ3-CG2 3.87Å
187	D	94.5	Very high	93.3	Very high	25 Å²	25	58 Å²	58	13%	0.134	31%	0.307	C	S	.	.	H	α-helix	trans	-61.9	-36.7	177.3	-60	-5.9	0	0	0	110.8	K183 R191	K183-D187 WeakPolarHBondContact CE-OD2 3.38Å; K183-D187 VanDerWaalsContact NZ-CG 3.28Å; K183-D187 IonicContact NZ-OD1 3.78Å; K183-D187 PolarHBondContact NZ-OD1 3.24Å; K183-D187 IonicContact NZ-OD2 3.15Å; K183-D187 PolarHBondContact NZ-OD2 3.5Å; K183-D187 PolarHBondContact O-N 3.32Å; D187-R191 VanDerWaalsContact O-CZ 3.3Å; D187-R191 PolarHBondContact O-N 2.67Å; D187-R191 PolarHBondContact O-NH1 3.02Å
188	K	94.2	Very high	93.9	Very high	71 Å²	71	59 Å²	59	31%	0.309	30%	0.299	S	S	.	.	H	α-helix	trans	-67.4	-44.9	173.3	-178.3	178.9	163.7	-158.8	0	111.6	P184 H185 W186 A190 R191 E192 S243 D244	P184-K188 WeakPolarHBondContact O-CB 3.26Å; P184-K188 PolarHBondContact O-N 3.34Å; H185-K188 PolarHBondContact O-N 3.02Å; W186-K188 VanDerWaalsContact C-N 3.25Å; W186-K188 PolarHBondContact O-N 3.35Å; K188-A190 VanDerWaalsContact C-N 3.3Å; K188-A190 PolarHBondContact O-N 3.31Å; K188-R191 WeakPolarHBondContact O-CB 3.14Å; K188-R191 PolarHBondContact O-N 2.9Å; K188-E192 WeakPolarHBondContact CE-OE1 3.5Å; K188-E192 IonicContact NZ-OE1 3.61Å; K188-E192 PolarHBondContact O-N 3.4Å; K188-S243 WeakPolarHBondContact CD-OG 3.49Å; K188-S243 WeakPolarHBondContact CE-OG 3.34Å; K188-S243 PolarHBondContact NZ-OG 3.41Å; K188-D244 IonicContact NZ-OD1 3.6Å; K188-D244 PolarHBondContact NZ-OD1 2.82Å; K188-D244 VanDerWaalsContact NZ-OD1 3.15Å
189	A	96	Very high	94.2	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-61.7	-39.2	177	0	0	0	0	0	111.8	H185 W186 R191 E192 L193 I246 V247	H185-A189 WeakPolarHBondContact O-CB 3.28Å; H185-A189 PolarHBondContact O-N 3.42Å; W186-A189 PolarHBondContact O-N 3.41Å; W186-A189 VanDerWaalsContact O-N 3.12Å; A189-R191 VanDerWaalsContact C-N 3.34Å; A189-R191 PolarHBondContact O-N 2.78Å; A189-E192 PolarHBondContact O-N 2.85Å; A189-L193 HydrophobicContact CB-CD1 4.48Å; A189-L193 VanDerWaalsContact O-CB 3.26Å; A189-L193 WeakPolarHBondContact O-CB 3.5Å; A189-L193 WeakPolarHBondContact O-CG 3.43Å; A189-L193 PolarHBondContact O-N 2.8Å; A189-I246 HydrophobicContact CB-CB 4.34Å; A189-I246 HydrophobicContact CB-CG2 3.82Å; A189-V247 HydrophobicContact CB-CG2 3.84Å
190	A	97.1	Very high	94.5	Very high	4 Å²	4	53.5 Å²	53.5	3%	0.033	27%	0.273	C	S	.	.	H	α-helix	trans	-60.4	-41.4	175.1	0	0	0	0	0	112.9	D147 V148 W186 K188 K194 V199	D147-A190 HydrophobicContact CB-CB 3.79Å; V148-A190 HydrophobicContact CG2-CB 3.62Å; W186-A190 PolarHBondContact O-N 3.08Å; K188-A190 VanDerWaalsContact C-N 3.3Å; K188-A190 PolarHBondContact O-N 3.31Å; A190-K194 PolarHBondContact O-N 2.85Å; A190-V199 HydrophobicContact CB-CB 3.69Å; A190-V199 HydrophobicContact CB-CG1 3.81Å; A190-V199 HydrophobicContact CB-CG2 4.25Å
191	R	95.2	Very high	94.9	Very high	114 Å²	114	48.7 Å²	48.7	43%	0.43	26%	0.255	S	S	.	.	H	α-helix	trans	-62	-46.5	173.4	-80.2	-177.5	-65.4	-90.7	5.3	112.3	D147 D187 K188 A189 K194	D147-R191 HydrophobicContact CB-CG 4.46Å; D147-R191 WeakPolarHBondContact OD2-CG 3.25Å; D187-R191 VanDerWaalsContact O-CZ 3.3Å; D187-R191 PolarHBondContact O-N 2.67Å; D187-R191 PolarHBondContact O-NH1 3.02Å; K188-R191 WeakPolarHBondContact O-CB 3.14Å; K188-R191 PolarHBondContact O-N 2.9Å; A189-R191 VanDerWaalsContact C-N 3.34Å; A189-R191 PolarHBondContact O-N 2.78Å; R191-K194 WeakPolarHBondContact O-CB 3.17Å
192	E	94.1	Very high	95.1	Very high	97 Å²	97	43 Å²	43	45%	0.453	22%	0.224	S	C	.	.	H	α-helix	trans	-74.6	-31.4	-175.6	-70.6	-177.1	-166.8	0	0	113.3	K188 A189 K194 V247	K188-E192 WeakPolarHBondContact CE-OE1 3.5Å; K188-E192 IonicContact NZ-OE1 3.61Å; K188-E192 PolarHBondContact O-N 3.4Å; A189-E192 PolarHBondContact O-N 2.85Å; E192-K194 VanDerWaalsContact C-N 3.29Å; E192-K194 PolarHBondContact O-N 3.25Å; E192-V247 HydrophobicContact CB-CG1 4.42Å; E192-V247 HydrophobicContact CB-CG2 3.94Å
193	L	95.8	Very high	95	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-1.4	178.8	-71.2	168.9	0	0	0	113.6	L168 A189 G195 T196 V197 V199 V247 A250 M251	L168-L193 HydrophobicContact CD2-CD1 4.42Å; A189-L193 HydrophobicContact CB-CD1 4.48Å; A189-L193 VanDerWaalsContact O-CB 3.26Å; A189-L193 WeakPolarHBondContact O-CB 3.5Å; A189-L193 WeakPolarHBondContact O-CG 3.43Å; A189-L193 PolarHBondContact O-N 2.8Å; L193-G195 PolarHBondContact O-N 2.88Å; L193-T196 WeakPolarHBondContact O-CA 3.33Å; L193-T196 PolarHBondContact O-N 3.12Å; L193-V197 HydrophobicContact CB-CB 4.18Å; L193-V197 HydrophobicContact CD1-CB 4.41Å; L193-V197 HydrophobicContact CD2-CB 4.29Å; L193-V197 HydrophobicContact CD2-CG2 4.23Å; L193-V197 PolarHBondContact O-N 2.87Å; L193-V199 HydrophobicContact CB-CG2 3.96Å; L193-V199 HydrophobicContact CD1-CG2 3.63Å; L193-V199 HydrophobicContact CG-CG2 4.44Å; L193-V247 HydrophobicContact CD1-CG2 4.41Å; L193-V247 HydrophobicContact CD2-CG1 4.09Å; L193-V247 HydrophobicContact CG-CG1 4.41Å; L193-V247 HydrophobicContact CG-CG2 4.16Å; L193-A250 HydrophobicContact CD1-CB 3.71Å; L193-A250 HydrophobicContact CD2-CB 4.04Å; L193-M251 HydrophobicContact CD2-CG 3.7Å
194	K	93.4	Very high	95	Very high	134 Å²	134	39.1 Å²	39.1	58%	0.583	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.1	126.9	-176.6	-170.4	172	-170.5	150	0	111.7	D147 A190 R191 E192 T196	D147-K194 IonicContact OD1-NZ 2.97Å; D147-K194 PolarHBondContact OD1-NZ 2.96Å; D147-K194 IonicContact OD2-NZ 2.8Å; A190-K194 PolarHBondContact O-N 2.85Å; R191-K194 WeakPolarHBondContact O-CB 3.17Å; E192-K194 VanDerWaalsContact C-N 3.29Å; E192-K194 PolarHBondContact O-N 3.25Å; K194-T196 PolarHBondContact O-N 2.99Å
195	G	89.8	Confident	94.7	Very high	72 Å²	72	38.5 Å²	38.5	74%	0.742	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.1	-6.7	-178	0	0	0	0	0	115	L193	L193-G195 PolarHBondContact O-N 2.88Å
196	T	91.2	Very high	94.4	Very high	52 Å²	52	37.8 Å²	37.8	32%	0.319	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.1	-48.7	175	-52.5	0	0	0	0	111.4	P166 L193 K194	P166-T196 WeakPolarHBondContact CG-O 2.87Å; L193-T196 WeakPolarHBondContact O-CA 3.33Å; L193-T196 PolarHBondContact O-N 3.12Å; K194-T196 PolarHBondContact O-N 2.99Å
197	V	96.4	Very high	94.1	Very high	3 Å²	3	38.8 Å²	38.8	2%	0.018	21%	0.209	C	C	.	.	S	Bend	trans	-134	131.9	177.8	-178.3	0	0	0	0	109.2	P166 L168 L193 V199 F224 A250 A254	P166-V197 HydrophobicContact CB-CG2 4.44Å; P166-V197 HydrophobicContact CG-CG2 4.1Å; L168-V197 HydrophobicContact CB-CG1 3.82Å; L193-V197 HydrophobicContact CB-CB 4.18Å; L193-V197 HydrophobicContact CD1-CB 4.41Å; L193-V197 HydrophobicContact CD2-CB 4.29Å; L193-V197 HydrophobicContact CD2-CG2 4.23Å; L193-V197 PolarHBondContact O-N 2.87Å; V197-V199 PolarHBondContact O-N 3.09Å; V197-F224 HydrophobicContact CG1-CE2 4.08Å; V197-F224 HydrophobicContact CG2-CE2 4.44Å; V197-A250 HydrophobicContact CG2-CB 4.48Å; V197-A254 HydrophobicContact CG2-CB 3.64Å
198	K	97.6	Very high	93.8	Very high	62 Å²	62	40.5 Å²	40.5	27%	0.27	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	117.4	173	-61	-65.1	-178.2	-172.8	0	108.9	I149 E165 P166 W167 L168	I149-K198 HydrophobicContact CD1-CB 4.22Å; I149-K198 HydrophobicContact CD1-CD 4.07Å; E165-K198 HydrophobicContact CB-CG 4.39Å; E165-K198 WeakPolarHBondContact OE1-CE 3.26Å; E165-K198 IonicContact OE1-NZ 2.72Å; E165-K198 PolarHBondContact OE1-NZ 2.88Å; E165-K198 WeakPolarHBondContact OE2-CE 3.27Å; E165-K198 IonicContact OE2-NZ 3.56Å; E165-K198 PolarHBondContact OE2-NZ 2.8Å; P166-K198 PolarHBondContact O-N 2.87Å; W167-K198 CarbonylContact C-O 3.53Å; W167-K198 VanDerWaalsContact CA-O 3.32Å; W167-K198 WeakPolarHBondContact CA-O 3.37Å; W167-K198 HydrophobicContact CD2-CB 3.38Å; W167-K198 HydrophobicContact CD2-CG 4.02Å; W167-K198 HydrophobicContact CE3-CB 3.52Å; W167-K198 HydrophobicContact CE3-CG 4.46Å; W167-K198 HydrophobicContact CG-CB 3.88Å; W167-K198 HydrophobicContact CG-CG 4.48Å; W167-K198 HydrophobicContact CH2-CB 4.04Å; W167-K198 HydrophobicContact CH2-CG 4.28Å; W167-K198 HydrophobicContact CZ2-CB 3.9Å; W167-K198 HydrophobicContact CZ2-CG 3.8Å; W167-K198 HydrophobicContact CZ3-CB 3.86Å; L168-K198 PolarHBondContact N-O 2.79Å
199	V	98.3	Very high	93.8	Very high	4 Å²	4	42.7 Å²	42.7	2%	0.024	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	132.5	177.7	-177.6	0	0	0	0	108.9	V148 I149 L168 W186 A190 L193 V197	V148-V199 WeakPolarHBondContact CA-O 3.39Å; V148-V199 HydrophobicContact CG2-CG1 4.47Å; I149-V199 PolarHBondContact N-O 2.85Å; L168-V199 CarbonylContact O-C 3.51Å; L168-V199 WeakPolarHBondContact O-CA 3.45Å; W186-V199 HydrophobicContact CD2-CG1 4.06Å; W186-V199 HydrophobicContact CH2-CG1 4.37Å; W186-V199 HydrophobicContact CZ2-CG1 3.57Å; A190-V199 HydrophobicContact CB-CB 3.69Å; A190-V199 HydrophobicContact CB-CG1 3.81Å; A190-V199 HydrophobicContact CB-CG2 4.25Å; L193-V199 HydrophobicContact CB-CG2 3.96Å; L193-V199 HydrophobicContact CD1-CG2 3.63Å; L193-V199 HydrophobicContact CG-CG2 4.44Å; V197-V199 PolarHBondContact O-N 3.09Å
200	A	98	Very high	93.7	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	160.2	-172	0	0	0	0	0	112.5	I149 L151 W167 L168 V169 E170 W186	I149-A200 HydrophobicContact CB-CB 4.13Å; I149-A200 CarbonylContact O-C 3.51Å; I149-A200 WeakPolarHBondContact O-CA 3.41Å; I149-A200 WeakPolarHBondContact O-CB 3.43Å; L151-A200 HydrophobicContact CD1-CB 3.52Å; L151-A200 HydrophobicContact CG-CB 3.83Å; W167-A200 HydrophobicContact CE3-CB 3.89Å; W167-A200 HydrophobicContact CZ3-CB 3.9Å; L168-A200 PolarHBondContact O-N 3.43Å; V169-A200 WeakPolarHBondContact CA-O 3.49Å; V169-A200 HydrophobicContact CG2-CB 4.28Å; E170-A200 PolarHBondContact N-O 2.9Å; W186-A200 WeakPolarHBondContact CZ2-O 3.44Å; W186-A200 PolarHBondContact NE1-O 3.24Å
201	A	97.2	Very high	93.5	Very high	14 Å²	14	43.2 Å²	43.2	12%	0.116	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	142.2	175.8	0	0	0	0	0	110.9	V148 I149 L151 E170 F172	V148-A201 HydrophobicContact CG1-CB 3.57Å; I149-A201 PolarHBondContact O-N 2.88Å; L151-A201 PolarHBondContact N-O 3.03Å; E170-A201 HydrophobicContact CB-CB 4.48Å; E170-A201 CarbonylContact O-C 3.44Å; E170-A201 WeakPolarHBondContact O-CA 3.39Å; F172-A201 HydrophobicContact CD1-CB 4.05Å; F172-A201 HydrophobicContact CE1-CB 3.95Å
202	L	95.8	Very high	93.5	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	123.1	178.1	-176.5	145	0	0	0	109.5	L151 F156 E170 F171 F172 A204 H207 M210	L151-L202 HydrophobicContact CB-CB 4.11Å; L151-L202 HydrophobicContact CB-CD1 4.02Å; F156-L202 HydrophobicContact CD2-CD1 3.7Å; F156-L202 HydrophobicContact CE2-CD1 4.18Å; E170-L202 PolarHBondContact O-N 3.12Å; F171-L202 WeakPolarHBondContact CA-O 3.5Å; F171-L202 HydrophobicContact CD1-CB 4.44Å; F171-L202 HydrophobicContact CD1-CD2 3.69Å; F171-L202 HydrophobicContact CE1-CD1 4.43Å; F171-L202 HydrophobicContact CE1-CD2 3.93Å; F172-L202 VanDerWaalsContact CD1-C 3.49Å; F172-L202 VanDerWaalsContact CD1-O 3.24Å; F172-L202 WeakPolarHBondContact CD1-O 2.8Å; F172-L202 VanDerWaalsContact CE1-C 3.46Å; F172-L202 PolarHBondContact N-O 3.04Å; L202-A204 HydrophobicContact CD2-CB 4.25Å; L202-A204 PolarHBondContact O-N 3.42Å; L202-A204 VanDerWaalsContact O-N 3.1Å; L202-H207 HydrophobicContact CD1-CB 4.16Å; L202-H207 HydrophobicContact CD2-CB 3.74Å; L202-H207 HydrophobicContact CG-CB 3.95Å; L202-M210 HydrophobicContact CD1-CB 3.96Å; L202-M210 HydrophobicContact CD1-CG 4.32Å
203	D	92.8	Very high	93.6	Very high	11 Å²	11	44.4 Å²	44.4	6%	0.059	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	102.1	170.5	-177.3	-12.3	0	0	0	109.3	F172 P174 T205 V206 H207	F172-D203 HydrophobicContact CE1-CB 4.06Å; F172-D203 HydrophobicContact CE2-CB 4.33Å; F172-D203 HydrophobicContact CZ-CB 3.83Å; P174-D203 WeakPolarHBondContact CD-OD1 3.01Å; P174-D203 VanDerWaalsContact CD-OD2 3.3Å; P174-D203 WeakPolarHBondContact CD-OD2 3.5Å; P174-D203 WeakPolarHBondContact CG-OD2 3.26Å; D203-T205 PolarHBondContact O-N 3.26Å; D203-T205 WeakPolarHBondContact OD1-CA 3.2Å; D203-T205 VanDerWaalsContact OD1-CB 3.28Å; D203-T205 WeakPolarHBondContact OD1-CB 3.26Å; D203-T205 PolarHBondContact OD1-N 3.26Å; D203-T205 PolarHBondContact OD1-OG1 2.86Å; D203-T205 PolarHBondContact OD2-OG1 3.23Å; D203-V206 PolarHBondContact O-N 3.33Å; D203-H207 WeakPolarHBondContact O-CB 3.45Å; D203-H207 PolarHBondContact O-N 3.34Å
204	A	92.6	Very high	93.7	Very high	5 Å²	5	45 Å²	45	4%	0.041	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-9.1	-177.4	0	0	0	0	0	113.2	F171 F172 L202 A211 Y219	F171-A204 HydrophobicContact CB-CB 4.36Å; F172-A204 PolarHBondContact O-N 2.73Å; L202-A204 HydrophobicContact CD2-CB 4.25Å; L202-A204 PolarHBondContact O-N 3.42Å; L202-A204 VanDerWaalsContact O-N 3.1Å; A204-A211 HydrophobicContact CB-CB 3.74Å; A204-Y219 HydrophobicContact CB-CD1 4.36Å; A204-Y219 HydrophobicContact CB-CE1 3.44Å; A204-Y219 VanDerWaalsContact CB-CE1 3.44Å
205	T	86.3	Confident	93.7	Very high	65 Å²	65	40.9 Å²	40.9	40%	0.399	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-24	173.5	73.6	0	0	0	0	112.4	A173 D203	A173-T205 HydrophobicContact CB-CG2 3.47Å; A173-T205 VanDerWaalsContact CB-CG2 3.47Å; D203-T205 PolarHBondContact O-N 3.26Å; D203-T205 WeakPolarHBondContact OD1-CA 3.2Å; D203-T205 VanDerWaalsContact OD1-CB 3.28Å; D203-T205 WeakPolarHBondContact OD1-CB 3.26Å; D203-T205 PolarHBondContact OD1-N 3.26Å; D203-T205 PolarHBondContact OD1-OG1 2.86Å; D203-T205 PolarHBondContact OD2-OG1 3.23Å
206	V	88.2	Confident	94.1	Very high	58 Å²	58	38.6 Å²	38.6	35%	0.352	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-40.3	176.9	178.2	0	0	0	0	110.9	N105 D203 S208	N105-V206 HydrophobicContact CB-CG1 4.42Å; D203-V206 PolarHBondContact O-N 3.33Å; V206-S208 PolarHBondContact O-N 2.75Å
207	H	90.9	Very high	94.2	Very high	23 Å²	23	47.8 Å²	47.8	11%	0.106	24%	0.239	C	C	.	.			trans	-101.2	68.1	-175.3	-63	-51.6	0	0	0	111.5	T152 D153 L202 D203 R209 A211	T152-H207 WeakPolarHBondContact CG2-NE2 3.38Å; D153-H207 HydrophobicContact CB-CB 4.38Å; D153-H207 PolarHBondContact N-ND1 3.46Å; D153-H207 WeakPolarHBondContact OD2-CA 3.4Å; L202-H207 HydrophobicContact CD1-CB 4.16Å; L202-H207 HydrophobicContact CD2-CB 3.74Å; L202-H207 HydrophobicContact CG-CB 3.95Å; D203-H207 WeakPolarHBondContact O-CB 3.45Å; D203-H207 PolarHBondContact O-N 3.34Å; H207-R209 VanDerWaalsContact C-N 3.33Å; H207-R209 PolarHBondContact O-N 2.91Å; H207-A211 PolarHBondContact O-N 3.42Å
208	S	88.5	Confident	94.1	Very high	60 Å²	60	49.2 Å²	49.2	42%	0.42	25%	0.254	S	S	.	.	H	α-helix	trans	-70	-23.9	-172	64.7	0	0	0	0	114.2	D153 V206 A211 Q212	D153-S208 PolarHBondContact OD2-N 3.24Å; V206-S208 PolarHBondContact O-N 2.75Å; S208-A211 PolarHBondContact O-N 3.02Å; S208-Q212 VanDerWaalsContact O-CB 3.31Å; S208-Q212 WeakPolarHBondContact O-CB 3.32Å; S208-Q212 VanDerWaalsContact O-CG 3.22Å; S208-Q212 WeakPolarHBondContact O-CG 2.93Å; S208-Q212 PolarHBondContact O-N 2.83Å
209	R	94.3	Very high	94.1	Very high	118 Å²	118	49 Å²	49	45%	0.445	25%	0.252	S	S	.	.	H	α-helix	trans	-65	-51.3	-178	-178.2	-173.9	75.1	150.4	16.4	110.7	D153 D157 H207 Q212 K213	D153-R209 HydrophobicContact CB-CB 4.38Å; D153-R209 PolarHBondContact O-NH2 3.14Å; D153-R209 WeakPolarHBondContact OD1-CB 3.46Å; D153-R209 PolarHBondContact OD1-N 3.22Å; D153-R209 WeakPolarHBondContact OD2-CB 3.39Å; D153-R209 PolarHBondContact OD2-N 3.28Å; D157-R209 IonicContact OD1-NH2 3.69Å; D157-R209 IonicContact OD2-CZ 3.93Å; D157-R209 IonicContact OD2-NH2 3.31Å; D157-R209 PolarHBondContact OD2-NH2 2.95Å; H207-R209 VanDerWaalsContact C-N 3.33Å; H207-R209 PolarHBondContact O-N 2.91Å; R209-Q212 PolarHBondContact O-N 3.48Å; R209-K213 WeakPolarHBondContact O-CB 3.36Å; R209-K213 PolarHBondContact O-N 3.01Å
210	M	93.6	Very high	94	Very high	6 Å²	6	49.2 Å²	49.2	3%	0.03	25%	0.253	C	S	.	.	H	α-helix	trans	-68.5	-37.3	176.7	-70.6	-61.4	109.7	0	0	112	D153 F156 F171 L202 Q212 K213 Y214	D153-M210 WeakPolarHBondContact OD1-CB 3.08Å; D153-M210 WeakPolarHBondContact OD1-CG 3.34Å; D153-M210 PolarHBondContact OD1-N 3.34Å; F156-M210 HydrophobicContact CB-CG 3.73Å; F156-M210 HydrophobicContact CB-SD 3.82Å; F156-M210 HydrophobicContact CD1-CG 4.32Å; F156-M210 HydrophobicContact CD1-SD 3.58Å; F156-M210 VanDerWaalsContact CD1-SD 3.58Å; F156-M210 HydrophobicContact CD2-CB 4.3Å; F156-M210 HydrophobicContact CD2-CG 3.86Å; F156-M210 HydrophobicContact CD2-SD 4.19Å; F156-M210 HydrophobicContact CE1-SD 4.22Å; F156-M210 HydrophobicContact CG-CG 3.71Å; F156-M210 HydrophobicContact CG-SD 3.59Å; F156-M210 VanDerWaalsContact CG-SD 3.59Å; F171-M210 HydrophobicContact CE1-CB 4.35Å; L202-M210 HydrophobicContact CD1-CB 3.96Å; L202-M210 HydrophobicContact CD1-CG 4.32Å; M210-Q212 PolarHBondContact O-N 2.93Å; M210-K213 HydrophobicContact CE-CD 4.05Å; M210-K213 PolarHBondContact O-N 2.82Å; M210-K213 HydrophobicContact SD-CD 4.3Å; M210-Y214 VanDerWaalsContact O-CD2 3.28Å; M210-Y214 WeakPolarHBondContact O-CD2 3.41Å; M210-Y214 PolarHBondContact O-N 3.42Å; M210-Y214 VanDerWaalsContact O-N 3.14Å; M210-Y214 HydrophobicContact SD-CE2 4.03Å
211	A	93.6	Very high	94	Very high	9 Å²	9	50.8 Å²	50.8	7%	0.074	26%	0.263	C	S	.	.	H	α-helix	trans	-61.3	-42.1	175.4	0	0	0	0	0	112.3	A204 H207 S208 G215 I216	A204-A211 HydrophobicContact CB-CB 3.74Å; H207-A211 PolarHBondContact O-N 3.42Å; S208-A211 PolarHBondContact O-N 3.02Å; A211-G215 PolarHBondContact O-N 3.42Å; A211-I216 HydrophobicContact CB-CB 4.27Å; A211-I216 HydrophobicContact CB-CG1 4.25Å; A211-I216 WeakPolarHBondContact O-CG1 3.47Å; A211-I216 PolarHBondContact O-N 3.11Å
212	Q	95.8	Very high	94.1	Very high	151 Å²	151	50.4 Å²	50.4	71%	0.706	26%	0.259	S	S	*	.	H	α-helix	trans	-68.2	-45.1	174.9	-74.2	173.4	17.5	0	0	111.6	S208 R209 M210 Y214 G215	S208-Q212 VanDerWaalsContact O-CB 3.31Å; S208-Q212 WeakPolarHBondContact O-CB 3.32Å; S208-Q212 VanDerWaalsContact O-CG 3.22Å; S208-Q212 WeakPolarHBondContact O-CG 2.93Å; S208-Q212 PolarHBondContact O-N 2.83Å; R209-Q212 PolarHBondContact O-N 3.48Å; M210-Q212 PolarHBondContact O-N 2.93Å; Q212-Y214 VanDerWaalsContact C-N 3.27Å; Q212-Y214 PolarHBondContact O-N 2.94Å; Q212-G215 PolarHBondContact O-N 3.21Å
213	K	96	Very high	94.2	Very high	85 Å²	85	51.2 Å²	51.2	37%	0.37	26%	0.262	S	S	.	.	H	α-helix	trans	-52.6	-45.7	179.6	-177.6	179.2	178.7	-174.3	0	111.8	R209 M210 D232	R209-K213 WeakPolarHBondContact O-CB 3.36Å; R209-K213 PolarHBondContact O-N 3.01Å; M210-K213 HydrophobicContact CE-CD 4.05Å; M210-K213 PolarHBondContact O-N 2.82Å; M210-K213 HydrophobicContact SD-CD 4.3Å; K213-D232 WeakPolarHBondContact CE-OD1 3.46Å; K213-D232 IonicContact NZ-OD1 3.66Å; K213-D232 PolarHBondContact NZ-OD1 2.89Å
214	Y	96.5	Very high	94.5	Very high	14 Å²	14	50.7 Å²	50.7	6%	0.055	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	14.4	-179.5	-58.4	-66.4	0	0	0	114.2	F156 L161 F171 M210 Q212 I216 K223 F225 P234	F156-Y214 HydrophobicContact CD1-CE2 4.41Å; F156-Y214 AromaticContact CE1-CE2 3.63Å; F156-Y214 HydrophobicContact CE1-CE2 3.63Å; F156-Y214 AromaticContact CE1-CZ 3.94Å; F156-Y214 WeakPolarHBondContact CE1-OH 3.41Å; F156-Y214 HydrophobicContact CE2-CE2 4.42Å; F156-Y214 HydrophobicContact CZ-CD2 4.44Å; F156-Y214 AromaticContact CZ-CE2 3.63Å; F156-Y214 HydrophobicContact CZ-CE2 3.63Å; L161-Y214 WeakPolarHBondContact CD2-OH 3.49Å; F171-Y214 HydrophobicContact CE1-CD2 4.23Å; F171-Y214 AromaticContact CZ-CD2 3.72Å; F171-Y214 HydrophobicContact CZ-CD2 3.72Å; F171-Y214 HydrophobicContact CZ-CE2 4.37Å; F171-Y214 HydrophobicContact CZ-CG 4.47Å; M210-Y214 VanDerWaalsContact O-CD2 3.28Å; M210-Y214 WeakPolarHBondContact O-CD2 3.41Å; M210-Y214 PolarHBondContact O-N 3.42Å; M210-Y214 VanDerWaalsContact O-N 3.14Å; M210-Y214 HydrophobicContact SD-CE2 4.03Å; Q212-Y214 VanDerWaalsContact C-N 3.27Å; Q212-Y214 PolarHBondContact O-N 2.94Å; Y214-I216 PolarHBondContact O-N 2.95Å; Y214-K223 HydrophobicContact CG-CD 4.28Å; Y214-K223 WeakPolarHBondContact O-CE 3.4Å; Y214-K223 PolarHBondContact O-NZ 2.87Å; Y214-F225 HydrophobicContact CD1-CE1 4.49Å; Y214-F225 HydrophobicContact CD1-CZ 4.36Å; Y214-F225 HydrophobicContact CD2-CZ 4.34Å; Y214-F225 AromaticContact CE1-CE1 3.7Å; Y214-F225 HydrophobicContact CE1-CE1 3.7Å; Y214-F225 AromaticContact CE1-CZ 3.93Å; Y214-F225 HydrophobicContact CE1-CZ 3.93Å; Y214-F225 HydrophobicContact CE2-CE1 4.23Å; Y214-F225 AromaticContact CE2-CZ 3.9Å; Y214-F225 HydrophobicContact CE2-CZ 3.9Å; Y214-F225 AromaticContact CZ-CE1 3.56Å; Y214-F225 AromaticContact CZ-CZ 3.69Å; Y214-P234 HydrophobicContact CD1-CG 3.67Å; Y214-P234 HydrophobicContact CE1-CG 3.99Å; Y214-P234 HydrophobicContact CG-CG 4.46Å
215	G	95.2	Very high	94.7	Very high	47 Å²	47	50.5 Å²	50.5	49%	0.485	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.6	37.9	172	0	0	0	0	0	114.6	A211 Q212 R217	A211-G215 PolarHBondContact O-N 3.42Å; Q212-G215 PolarHBondContact O-N 3.21Å; G215-R217 PolarHBondContact O-N 3.36Å
216	I	96.7	Very high	95.2	Very high	23 Å²	23	49.2 Å²	49.2	12%	0.118	25%	0.25	C	S	.	.			trans	-68.6	115.5	-178.2	-52.2	-59.2	0	0	0	110.3	F171 A211 Y214 Y219 T221 K223	F171-I216 HydrophobicContact CB-CD1 3.95Å; F171-I216 HydrophobicContact CB-CG1 4.03Å; F171-I216 HydrophobicContact CB-CG2 4Å; F171-I216 HydrophobicContact CD1-CD1 3.96Å; F171-I216 HydrophobicContact CD1-CG1 3.66Å; F171-I216 HydrophobicContact CD2-CD1 3.69Å; F171-I216 HydrophobicContact CD2-CG1 4.34Å; F171-I216 HydrophobicContact CE1-CD1 4.41Å; F171-I216 HydrophobicContact CE1-CG1 4.2Å; F171-I216 HydrophobicContact CE2-CD1 4.18Å; F171-I216 HydrophobicContact CG-CD1 3.58Å; F171-I216 HydrophobicContact CG-CG1 3.75Å; A211-I216 HydrophobicContact CB-CB 4.27Å; A211-I216 HydrophobicContact CB-CG1 4.25Å; A211-I216 WeakPolarHBondContact O-CG1 3.47Å; A211-I216 PolarHBondContact O-N 3.11Å; Y214-I216 PolarHBondContact O-N 2.95Å; I216-Y219 HydrophobicContact CG2-CD1 4.12Å; I216-Y219 HydrophobicContact CG2-CE1 3.68Å; I216-T221 HydrophobicContact CD1-CG2 3.65Å; I216-K223 HydrophobicContact CD1-CD 3.95Å
217	R	94.1	Very high	95.4	Very high	246 Å²	246	47.3 Å²	47.3	93%	0.928	24%	0.241	S	C	*	.			trans	-110.3	-7.2	-177	-65.3	176.6	-170.8	-177.1	2.4	114.5	G215	G215-R217 PolarHBondContact O-N 3.36Å
218	G	94.7	Very high	95.4	Very high	33 Å²	33	47 Å²	47	34%	0.34	24%	0.244	S	C	.	.	S	Bend	trans	-166.3	170.2	-177	0	0	0	0	0	111.8	T221	G218-T221 PolarHBondContact O-OG1 3.37Å
219	Y	95.9	Very high	95.5	Very high	58 Å²	58	49.6 Å²	49.6	23%	0.227	26%	0.259	C	S	.	.	S	Bend	trans	-132.2	143.5	-172.4	-49.3	-62.4	0	0	0	112.6	A173 W175 C176 A204 I216	A173-Y219 HydrophobicContact CB-CD1 4.41Å; A173-Y219 HydrophobicContact CB-CD2 3.4Å; A173-Y219 HydrophobicContact CB-CE2 3.7Å; A173-Y219 HydrophobicContact CB-CG 3.78Å; W175-Y219 HydrophobicContact CH2-CD2 4.19Å; W175-Y219 HydrophobicContact CH2-CE2 4.32Å; W175-Y219 HydrophobicContact CZ2-CD2 4.38Å; W175-Y219 HydrophobicContact CZ2-CE2 4.19Å; C176-Y219 PolarHBondContact SG-O 3.04Å; A204-Y219 HydrophobicContact CB-CD1 4.36Å; A204-Y219 HydrophobicContact CB-CE1 3.44Å; A204-Y219 VanDerWaalsContact CB-CE1 3.44Å; I216-Y219 HydrophobicContact CG2-CD1 4.12Å; I216-Y219 HydrophobicContact CG2-CE1 3.68Å
220	P	97.3	Very high	95.4	Very high	8 Å²	8	45.6 Å²	45.6	5%	0.052	25%	0.245	C	C	.	.	S	Bend	cis	-70.8	145.1	-14	30.1	-34.5	0	0	0	111	E170 F171 L182 R241	E170-P220 HydrophobicContact CG-CB 3.97Å; E170-P220 WeakPolarHBondContact OE1-CB 2.89Å; F171-P220 WeakPolarHBondContact O-CA 3.25Å; L182-P220 HydrophobicContact CB-CG 4.49Å; L182-P220 HydrophobicContact CD2-CB 3.73Å; L182-P220 HydrophobicContact CD2-CG 3.6Å; P220-R241 PolarHBondContact O-NH2 3.36Å
221	T	98.3	Very high	95.2	Very high	32 Å²	32	49.4 Å²	49.4	20%	0.196	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	126.8	164.8	-65.7	0	0	0	0	107.6	F171 I216 G218 K223	F171-T221 PolarHBondContact N-O 2.94Å; F171-T221 PolarHBondContact O-N 3.45Å; I216-T221 HydrophobicContact CD1-CG2 3.65Å; G218-T221 PolarHBondContact O-OG1 3.37Å; T221-K223 HydrophobicContact CG2-CG 4.33Å
222	I	98.6	Very high	95	Very high	7 Å²	7	54.7 Å²	54.7	4%	0.036	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	132.1	-178.9	-65.5	156.9	0	0	0	108.7	L168 V169 E170 L182 W186 Y237	L168-I222 HydrophobicContact CD1-CG2 3.68Å; L168-I222 HydrophobicContact CG-CG2 3.99Å; V169-I222 WeakPolarHBondContact O-CA 3.44Å; E170-I222 HydrophobicContact CB-CG1 4.32Å; E170-I222 HydrophobicContact CG-CG1 4.29Å; L182-I222 HydrophobicContact CD2-CD1 3.9Å; L182-I222 HydrophobicContact CD2-CG1 4.5Å; W186-I222 HydrophobicContact CE3-CD1 4.34Å; W186-I222 HydrophobicContact CH2-CB 4.41Å; W186-I222 HydrophobicContact CH2-CD1 4.16Å; W186-I222 HydrophobicContact CH2-CG1 3.89Å; W186-I222 HydrophobicContact CH2-CG2 3.66Å; W186-I222 HydrophobicContact CZ3-CD1 3.62Å; W186-I222 HydrophobicContact CZ3-CG1 3.88Å; W186-I222 HydrophobicContact CZ3-CG2 4.08Å; I222-Y237 HydrophobicContact CB-CD1 4.29Å; I222-Y237 HydrophobicContact CB-CG 4.3Å; I222-Y237 HydrophobicContact CD1-CD1 3.85Å; I222-Y237 HydrophobicContact CD1-CE1 4.36Å; I222-Y237 HydrophobicContact CG2-CD1 4.49Å; I222-Y237 HydrophobicContact CG2-CG 4.13Å; I222-Y237 PolarHBondContact O-N 3.39Å
223	K	98.4	Very high	94.9	Very high	16 Å²	16	54 Å²	54	7%	0.07	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	136.2	-179.4	-68.8	-178.5	175.3	-72.7	0	110.7	V169 F171 Y214 I216 T221 F225 P234 D236	V169-K223 PolarHBondContact N-O 3.1Å; V169-K223 PolarHBondContact O-N 3.4Å; F171-K223 HydrophobicContact CD2-CD 4.32Å; F171-K223 HydrophobicContact CD2-CG 4.48Å; F171-K223 HydrophobicContact CE2-CB 4.16Å; F171-K223 HydrophobicContact CE2-CD 3.86Å; F171-K223 HydrophobicContact CE2-CG 4.23Å; Y214-K223 HydrophobicContact CG-CD 4.28Å; Y214-K223 WeakPolarHBondContact O-CE 3.4Å; Y214-K223 PolarHBondContact O-NZ 2.87Å; I216-K223 HydrophobicContact CD1-CD 3.95Å; T221-K223 HydrophobicContact CG2-CG 4.33Å; K223-F225 HydrophobicContact CB-CE2 3.93Å; K223-F225 HydrophobicContact CB-CZ 4.47Å; K223-P234 HydrophobicContact CB-CB 4.16Å; K223-P234 HydrophobicContact CB-CG 4.24Å; K223-P234 HydrophobicContact CD-CG 3.84Å; K223-P234 HydrophobicContact CG-CG 4.37Å; K223-D236 IonicContact NZ-OD1 2.69Å; K223-D236 PolarHBondContact NZ-OD1 2.84Å; K223-D236 IonicContact NZ-OD2 3.59Å
224	F	98.4	Very high	94.9	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	128.2	175.1	-177.9	-97.5	0	0	0	110.8	P166 W167 L168 V197 P226 P234 I235 W249 K253 A254	P166-F224 HydrophobicContact CB-CE2 3.92Å; P166-F224 HydrophobicContact CB-CZ 3.65Å; W167-F224 CarbonylContact O-C 3.54Å; W167-F224 WeakPolarHBondContact O-CA 3.46Å; W167-F224 WeakPolarHBondContact O-CD2 3.39Å; L168-F224 HydrophobicContact CB-CD2 4.42Å; L168-F224 HydrophobicContact CD1-CB 4.01Å; L168-F224 HydrophobicContact CD1-CD2 3.98Å; V197-F224 HydrophobicContact CG1-CE2 4.08Å; V197-F224 HydrophobicContact CG2-CE2 4.44Å; F224-P226 HydrophobicContact CD1-CG 4.16Å; F224-P226 HydrophobicContact CE1-CB 4.26Å; F224-P226 HydrophobicContact CE1-CG 4.11Å; F224-P226 WeakPolarHBondContact O-CD 3.44Å; F224-P234 CarbonylContact O-C 3.58Å; F224-P234 WeakPolarHBondContact O-CA 3.27Å; F224-P234 WeakPolarHBondContact O-CB 3.35Å; F224-I235 HydrophobicContact CB-CB 4.33Å; F224-I235 HydrophobicContact CD1-CD1 4.27Å; F224-I235 PolarHBondContact N-O 3.44Å; F224-I235 PolarHBondContact O-N 3.45Å; F224-W249 HydrophobicContact CB-CH2 3.62Å; F224-W249 HydrophobicContact CB-CZ3 3.63Å; F224-W249 HydrophobicContact CD2-CZ3 4.34Å; F224-W249 HydrophobicContact CG-CH2 4.37Å; F224-W249 HydrophobicContact CG-CZ3 4.12Å; F224-K253 HydrophobicContact CD1-CB 3.69Å; F224-K253 HydrophobicContact CD1-CG 4.38Å; F224-K253 HydrophobicContact CD2-CB 4.31Å; F224-K253 HydrophobicContact CE1-CB 3.45Å; F224-K253 VanDerWaalsContact CE1-CB 3.45Å; F224-K253 HydrophobicContact CE2-CB 4.11Å; F224-K253 HydrophobicContact CG-CB 4.11Å; F224-K253 HydrophobicContact CZ-CB 3.69Å; F224-A254 HydrophobicContact CZ-CB 4.33Å
225	F	97.9	Very high	94.9	Very high	2 Å²	2	52.8 Å²	52.8	1%	0.009	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	105.7	176.9	-66.5	-95.1	0	0	0	107.3	F156 V160 P166 W167 V169 Y214 K223 K230 P234	F156-F225 HydrophobicContact CE1-CE1 4.24Å; F156-F225 HydrophobicContact CE1-CZ 4.08Å; F156-F225 HydrophobicContact CZ-CE1 4.24Å; F156-F225 AromaticContact CZ-CE2 3.97Å; F156-F225 HydrophobicContact CZ-CE2 3.97Å; F156-F225 AromaticContact CZ-CZ 3.63Å; F156-F225 HydrophobicContact CZ-CZ 3.63Å; V160-F225 HydrophobicContact CG1-CB 4.08Å; V160-F225 HydrophobicContact CG1-CD1 3.92Å; V160-F225 HydrophobicContact CG1-CD2 4Å; V160-F225 HydrophobicContact CG1-CE1 4.38Å; V160-F225 HydrophobicContact CG1-CE2 4.46Å; V160-F225 HydrophobicContact CG1-CG 3.72Å; P166-F225 WeakPolarHBondContact CA-O 3.41Å; W167-F225 HydrophobicContact CB-CB 4.07Å; W167-F225 PolarHBondContact N-O 3.19Å; W167-F225 PolarHBondContact O-N 2.87Å; V169-F225 HydrophobicContact CB-CD2 4.46Å; V169-F225 HydrophobicContact CB-CE2 4.06Å; V169-F225 HydrophobicContact CG2-CD2 3.79Å; V169-F225 HydrophobicContact CG2-CE2 3.72Å; Y214-F225 HydrophobicContact CD1-CE1 4.49Å; Y214-F225 HydrophobicContact CD1-CZ 4.36Å; Y214-F225 HydrophobicContact CD2-CZ 4.34Å; Y214-F225 AromaticContact CE1-CE1 3.7Å; Y214-F225 HydrophobicContact CE1-CE1 3.7Å; Y214-F225 AromaticContact CE1-CZ 3.93Å; Y214-F225 HydrophobicContact CE1-CZ 3.93Å; Y214-F225 HydrophobicContact CE2-CE1 4.23Å; Y214-F225 AromaticContact CE2-CZ 3.9Å; Y214-F225 HydrophobicContact CE2-CZ 3.9Å; Y214-F225 AromaticContact CZ-CE1 3.56Å; Y214-F225 AromaticContact CZ-CZ 3.69Å; K223-F225 HydrophobicContact CB-CE2 3.93Å; K223-F225 HydrophobicContact CB-CZ 4.47Å; F225-K230 HydrophobicContact CB-CD 3.97Å; F225-P234 HydrophobicContact CD1-CB 3.88Å; F225-P234 HydrophobicContact CD2-CB 4.3Å; F225-P234 HydrophobicContact CE1-CB 3.66Å; F225-P234 HydrophobicContact CE1-CG 3.92Å; F225-P234 HydrophobicContact CE2-CB 4.1Å; F225-P234 HydrophobicContact CG-CB 4.19Å; F225-P234 HydrophobicContact CZ-CB 3.77Å; F225-P234 HydrophobicContact CZ-CG 3.87Å
226	P	95.8	Very high	95.1	Very high	37 Å²	37	55 Å²	55	24%	0.24	30%	0.296	C	S	.	.			trans	-52.1	155	-179.1	-30.8	38.9	0	0	0	114.2	F224 K230 I235	F224-P226 HydrophobicContact CD1-CG 4.16Å; F224-P226 HydrophobicContact CE1-CB 4.26Å; F224-P226 HydrophobicContact CE1-CG 4.11Å; F224-P226 WeakPolarHBondContact O-CD 3.44Å; P226-K230 VanDerWaalsContact O-CD 3.26Å; P226-K230 WeakPolarHBondContact O-CD 3.32Å; P226-K230 WeakPolarHBondContact O-CE 3.49Å; P226-K230 PolarHBondContact O-NZ 3.21Å; P226-I235 HydrophobicContact CG-CD1 4.17Å
227	A	93	Very high	95.1	Very high	19 Å²	19	55.1 Å²	55.1	16%	0.157	30%	0.295	C	S	.	.	S	Bend	trans	-60.1	158	168.4	0	0	0	0	0	111.2	Q164 P166 S257	Q164-A227 WeakPolarHBondContact O-CA 3.44Å; Q164-A227 WeakPolarHBondContact O-CB 3.1Å; P166-A227 HydrophobicContact CB-CB 4.29Å; P166-A227 HydrophobicContact CG-CB 4.44Å; A227-S257 PolarHBondContact N-OG 2.95Å
228	G	90.1	Very high	95.2	Very high	16 Å²	16	50.3 Å²	50.3	17%	0.165	29%	0.288	C	S	.	.	S	Bend	trans	85.3	-166	-175.4	0	0	0	0	0	114	Q164 K230	Q164-G228 PolarHBondContact O-N 3.12Å; Q164-G228 VanDerWaalsContact OE1-C 3.27Å; Q164-G228 VanDerWaalsContact OE1-CA 3.23Å; G228-K230 PolarHBondContact O-N 2.9Å; G228-K230 PolarHBondContact O-NZ 2.84Å
229	P	91.2	Very high	95.2	Very high	114 Å²	114	50.5 Å²	50.5	74%	0.74	29%	0.289	S	S	*	.	S	Bend	trans	-56.5	126.9	176.9	-24	34	0	0	0	111.6
230	K	92.6	Very high	95.2	Very high	35 Å²	35	50.6 Å²	50.6	15%	0.152	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-78.9	138.6	-178.2	-60	-58.3	-172.5	-87.2	0	111.5	V160 L161 S163 E165 F225 P226 G228	V160-K230 WeakPolarHBondContact O-CE 3.41Å; V160-K230 WeakPolarHBondContact O-CG 3.36Å; L161-K230 HydrophobicContact CD2-CB 3.92Å; L161-K230 HydrophobicContact CD2-CG 4.39Å; L161-K230 WeakPolarHBondContact O-CG 3.42Å; S163-K230 PolarHBondContact O-NZ 3.46Å; E165-K230 PolarHBondContact O-NZ 3.46Å; F225-K230 HydrophobicContact CB-CD 3.97Å; P226-K230 VanDerWaalsContact O-CD 3.26Å; P226-K230 WeakPolarHBondContact O-CD 3.32Å; P226-K230 WeakPolarHBondContact O-CE 3.49Å; P226-K230 PolarHBondContact O-NZ 3.21Å; G228-K230 PolarHBondContact O-N 2.9Å; G228-K230 PolarHBondContact O-NZ 2.84Å
231	T	89.8	Confident	95.1	Very high	86 Å²	86	55.5 Å²	55.5	53%	0.528	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-99.8	166.6	167.9	63.7	0	0	0	0	109.8	D233	T231-D233 PolarHBondContact O-N 3.2Å; T231-D233 PolarHBondContact OG1-N 3.41Å
232	D	89.1	Confident	94.9	Very high	119 Å²	119	56 Å²	56	64%	0.636	33%	0.325	S	S	*	.	S	Bend	trans	-78.6	5.9	173.6	-71.8	-37.4	0	0	0	113.5	K213 P234	K213-D232 WeakPolarHBondContact CE-OD1 3.46Å; K213-D232 IonicContact NZ-OD1 3.66Å; K213-D232 PolarHBondContact NZ-OD1 2.89Å; D232-P234 VanDerWaalsContact C-CD 3.48Å; D232-P234 VanDerWaalsContact O-CD 3.26Å; D232-P234 WeakPolarHBondContact O-CD 3.28Å
233	D	92.6	Very high	94.6	Very high	137 Å²	137	55.9 Å²	55.9	73%	0.733	33%	0.325	S	S	*	.			trans	-118.9	75.7	-177.3	-169.3	35.5	0	0	0	111.1	T231	T231-D233 PolarHBondContact O-N 3.2Å; T231-D233 PolarHBondContact OG1-N 3.41Å
234	P	96.8	Very high	94.2	Very high	9 Å²	9	60 Å²	60	6%	0.058	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-72.1	154.5	176.7	32.2	-36.9	0	0	0	111.7	Y214 K223 F224 F225 D232 D236	Y214-P234 HydrophobicContact CD1-CG 3.67Å; Y214-P234 HydrophobicContact CE1-CG 3.99Å; Y214-P234 HydrophobicContact CG-CG 4.46Å; K223-P234 HydrophobicContact CB-CB 4.16Å; K223-P234 HydrophobicContact CB-CG 4.24Å; K223-P234 HydrophobicContact CD-CG 3.84Å; K223-P234 HydrophobicContact CG-CG 4.37Å; F224-P234 CarbonylContact O-C 3.58Å; F224-P234 WeakPolarHBondContact O-CA 3.27Å; F224-P234 WeakPolarHBondContact O-CB 3.35Å; F225-P234 HydrophobicContact CD1-CB 3.88Å; F225-P234 HydrophobicContact CD2-CB 4.3Å; F225-P234 HydrophobicContact CE1-CB 3.66Å; F225-P234 HydrophobicContact CE1-CG 3.92Å; F225-P234 HydrophobicContact CE2-CB 4.1Å; F225-P234 HydrophobicContact CG-CB 4.19Å; F225-P234 HydrophobicContact CZ-CB 3.77Å; F225-P234 HydrophobicContact CZ-CG 3.87Å; D232-P234 VanDerWaalsContact C-CD 3.48Å; D232-P234 VanDerWaalsContact O-CD 3.26Å; D232-P234 WeakPolarHBondContact O-CD 3.28Å; P234-D236 PolarHBondContact O-N 2.63Å
235	I	97.2	Very high	94.1	Very high	65 Å²	65	61.5 Å²	61.5	33%	0.333	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	123.3	-177.5	-54.9	174.9	0	0	0	109.4	F224 P226 W249 K253	F224-I235 HydrophobicContact CB-CB 4.33Å; F224-I235 HydrophobicContact CD1-CD1 4.27Å; F224-I235 PolarHBondContact N-O 3.44Å; F224-I235 PolarHBondContact O-N 3.45Å; P226-I235 HydrophobicContact CG-CD1 4.17Å; I235-W249 HydrophobicContact CG2-CH2 4.13Å; I235-W249 HydrophobicContact CG2-CZ2 3.94Å; I235-K253 HydrophobicContact CD1-CD 4.36Å
236	D	97.8	Very high	94.1	Very high	93 Å²	93	61.4 Å²	61.4	50%	0.497	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	137.6	174.4	-75.1	-40.8	0	0	0	111.7	K223 P234 W249	K223-D236 IonicContact NZ-OD1 2.69Å; K223-D236 PolarHBondContact NZ-OD1 2.84Å; K223-D236 IonicContact NZ-OD2 3.59Å; P234-D236 PolarHBondContact O-N 2.63Å; D236-W249 WeakPolarHBondContact O-CZ2 3.31Å
237	Y	98.1	Very high	94.2	Very high	26 Å²	26	60.3 Å²	60.3	10%	0.102	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-88.6	121.5	168.9	179.5	-97.2	0	0	0	110.4	I222 G239 A240 I246 W249	I222-Y237 HydrophobicContact CB-CD1 4.29Å; I222-Y237 HydrophobicContact CB-CG 4.3Å; I222-Y237 HydrophobicContact CD1-CD1 3.85Å; I222-Y237 HydrophobicContact CD1-CE1 4.36Å; I222-Y237 HydrophobicContact CG2-CD1 4.49Å; I222-Y237 HydrophobicContact CG2-CG 4.13Å; I222-Y237 PolarHBondContact O-N 3.39Å; Y237-G239 VanDerWaalsContact CE1-C 3.43Å; Y237-G239 VanDerWaalsContact CE1-O 3.28Å; Y237-G239 WeakPolarHBondContact CE1-O 3.46Å; Y237-G239 VanDerWaalsContact CZ-CA 3.47Å; Y237-G239 WeakPolarHBondContact OH-CA 3.29Å; Y237-A240 PolarHBondContact OH-N 3.15Å; Y237-A240 PolarHBondContact OH-O 3.31Å; Y237-I246 HydrophobicContact CE1-CG1 4.11Å; Y237-I246 HydrophobicContact CE2-CG1 4.47Å; Y237-W249 HydrophobicContact CD2-CB 4.4Å; Y237-W249 AromaticContact CD2-CD2 3.42Å; Y237-W249 HydrophobicContact CD2-CD2 3.42Å; Y237-W249 VanDerWaalsContact CD2-CD2 3.42Å; Y237-W249 AromaticContact CD2-CE2 3.73Å; Y237-W249 AromaticContact CD2-CE3 3.45Å; Y237-W249 HydrophobicContact CD2-CE3 3.45Å; Y237-W249 VanDerWaalsContact CD2-CE3 3.45Å; Y237-W249 AromaticContact CD2-CG 3.86Å; Y237-W249 HydrophobicContact CD2-CG 3.86Å; Y237-W249 HydrophobicContact CD2-CH2 4.08Å; Y237-W249 HydrophobicContact CD2-CZ2 4.06Å; Y237-W249 AromaticContact CD2-CZ3 3.79Å; Y237-W249 HydrophobicContact CD2-CZ3 3.79Å; Y237-W249 HydrophobicContact CE2-CB 3.79Å; Y237-W249 AromaticContact CE2-CD2 3.75Å; Y237-W249 HydrophobicContact CE2-CD2 3.75Å; Y237-W249 AromaticContact CE2-CE3 3.99Å; Y237-W249 HydrophobicContact CE2-CE3 3.99Å; Y237-W249 AromaticContact CE2-CG 3.67Å; Y237-W249 HydrophobicContact CE2-CG 3.67Å
238	D	95.1	Very high	94.3	Very high	145 Å²	145	62.4 Å²	62.4	78%	0.775	37%	0.369	S	S	*	.			trans	-116.9	7.5	-179.2	61.5	-10	0	0	0	113.2
239	G	95.3	Very high	94.7	Very high	36 Å²	36	63 Å²	63	37%	0.371	37%	0.367	S	S	.	.	S	Bend	trans	-82.5	-173.9	-177.8	0	0	0	0	0	115.5	Y237	Y237-G239 VanDerWaalsContact CE1-C 3.43Å; Y237-G239 VanDerWaalsContact CE1-O 3.28Å; Y237-G239 WeakPolarHBondContact CE1-O 3.46Å; Y237-G239 VanDerWaalsContact CZ-CA 3.47Å; Y237-G239 WeakPolarHBondContact OH-CA 3.29Å
240	A	96.1	Very high	95	Very high	60 Å²	60	57.6 Å²	57.6	50%	0.496	33%	0.331	S	S	.	.			trans	-72.6	138.5	-179.9	0	0	0	0	0	112.8	Y237 S242 A245	Y237-A240 PolarHBondContact OH-N 3.15Å; Y237-A240 PolarHBondContact OH-O 3.31Å; A240-S242 PolarHBondContact O-N 3.06Å; A240-A245 HydrophobicContact CB-CB 3.91Å; A240-A245 WeakPolarHBondContact O-CB 2.98Å
241	R	95.2	Very high	95.1	Very high	111 Å²	111	60 Å²	60	42%	0.419	34%	0.344	S	S	.	.	S	Bend	trans	-77.7	37.7	-178.4	-67.6	179.6	-178.5	159.2	-4.5	114.5	L182 H185 P220	L182-R241 HydrophobicContact CD1-CB 3.98Å; L182-R241 HydrophobicContact CD1-CG 4.38Å; H185-R241 PolarHBondContact CD2-O 3.19Å; P220-R241 PolarHBondContact O-NH2 3.36Å
242	S	93.6	Very high	95.3	Very high	43 Å²	43	60.9 Å²	60.9	30%	0.301	34%	0.342	S	S	.	.	S	Bend	trans	-105.1	154.4	172.7	67.3	0	0	0	0	110.4	A240 D244 A245 I246	A240-S242 PolarHBondContact O-N 3.06Å; S242-D244 VanDerWaalsContact C-N 3.27Å; S242-D244 PolarHBondContact O-N 3.2Å; S242-A245 PolarHBondContact O-N 3.28Å; S242-A245 WeakPolarHBondContact OG-CB 3.46Å; S242-I246 WeakPolarHBondContact O-CB 3.19Å; S242-I246 WeakPolarHBondContact O-CD1 3.12Å; S242-I246 VanDerWaalsContact O-CG1 3.25Å; S242-I246 WeakPolarHBondContact O-CG1 3.47Å; S242-I246 PolarHBondContact O-N 2.95Å
243	S	91.9	Very high	95.6	Very high	5 Å²	5	57.7 Å²	57.7	4%	0.035	32%	0.323	C	S	.	.	H	α-helix	trans	-53.5	-47.3	179.7	50.6	0	0	0	0	111.6	H185 K188 A245 I246 V247	H185-S243 PolarHBondContact ND1-N 3.4Å; K188-S243 WeakPolarHBondContact CD-OG 3.49Å; K188-S243 WeakPolarHBondContact CE-OG 3.34Å; K188-S243 PolarHBondContact NZ-OG 3.41Å; S243-A245 PolarHBondContact O-N 2.59Å; S243-I246 PolarHBondContact O-N 3.1Å; S243-V247 WeakPolarHBondContact O-CB 3.1Å; S243-V247 WeakPolarHBondContact O-CG2 3.46Å; S243-V247 PolarHBondContact O-N 3.26Å
244	D	91	Very high	95.7	Very high	101 Å²	101	51.6 Å²	51.6	54%	0.54	29%	0.291	S	S	.	.	H	α-helix	trans	-70.9	-36.9	-168.9	-52.6	-1.7	0	0	0	110.7	K188 S242 A248	K188-D244 IonicContact NZ-OD1 3.6Å; K188-D244 PolarHBondContact NZ-OD1 2.82Å; K188-D244 VanDerWaalsContact NZ-OD1 3.15Å; S242-D244 VanDerWaalsContact C-N 3.27Å; S242-D244 PolarHBondContact O-N 3.2Å; D244-A248 VanDerWaalsContact O-CB 3.27Å; D244-A248 WeakPolarHBondContact O-CB 3.44Å; D244-A248 PolarHBondContact O-N 3.25Å
245	A	95.9	Very high	95.3	Very high	32 Å²	32	53.2 Å²	53.2	26%	0.264	30%	0.299	S	S	.	.	H	α-helix	trans	-70.3	-38.5	175.2	0	0	0	0	0	112.2	A240 S242 S243 W249	A240-A245 HydrophobicContact CB-CB 3.91Å; A240-A245 WeakPolarHBondContact O-CB 2.98Å; S242-A245 PolarHBondContact O-N 3.28Å; S242-A245 WeakPolarHBondContact OG-CB 3.46Å; S243-A245 PolarHBondContact O-N 2.59Å; A245-W249 VanDerWaalsContact O-CB 3.25Å; A245-W249 WeakPolarHBondContact O-CB 3.22Å; A245-W249 PolarHBondContact O-N 2.87Å
246	I	98.5	Very high	95	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.005	30%	0.304	C	S	.	.	H	α-helix	trans	-66.4	-47.1	176.4	-68.8	166	0	0	0	110.3	L168 L182 W186 A189 Y237 S242 S243 A250	L168-I246 HydrophobicContact CD2-CG2 3.65Å; L182-I246 HydrophobicContact CD1-CD1 3.68Å; W186-I246 HydrophobicContact CE3-CD1 4.01Å; W186-I246 HydrophobicContact CE3-CG2 4.3Å; W186-I246 HydrophobicContact CZ3-CD1 4.16Å; W186-I246 HydrophobicContact CZ3-CG2 3.87Å; A189-I246 HydrophobicContact CB-CB 4.34Å; A189-I246 HydrophobicContact CB-CG2 3.82Å; Y237-I246 HydrophobicContact CE1-CG1 4.11Å; Y237-I246 HydrophobicContact CE2-CG1 4.47Å; S242-I246 WeakPolarHBondContact O-CB 3.19Å; S242-I246 WeakPolarHBondContact O-CD1 3.12Å; S242-I246 VanDerWaalsContact O-CG1 3.25Å; S242-I246 WeakPolarHBondContact O-CG1 3.47Å; S242-I246 PolarHBondContact O-N 2.95Å; S243-I246 PolarHBondContact O-N 3.1Å; I246-A250 WeakPolarHBondContact O-CB 3.09Å; I246-A250 PolarHBondContact O-N 3.48Å
247	V	97.4	Very high	94.5	Very high	14 Å²	14	49.5 Å²	49.5	9%	0.085	29%	0.289	C	S	.	.	H	α-helix	trans	-62.2	-52.4	-179.6	171.2	0	0	0	0	110.5	A189 E192 L193 S243 W249 A250 M251	A189-V247 HydrophobicContact CB-CG2 3.84Å; E192-V247 HydrophobicContact CB-CG1 4.42Å; E192-V247 HydrophobicContact CB-CG2 3.94Å; L193-V247 HydrophobicContact CD1-CG2 4.41Å; L193-V247 HydrophobicContact CD2-CG1 4.09Å; L193-V247 HydrophobicContact CG-CG1 4.41Å; L193-V247 HydrophobicContact CG-CG2 4.16Å; S243-V247 WeakPolarHBondContact O-CB 3.1Å; S243-V247 WeakPolarHBondContact O-CG2 3.46Å; S243-V247 PolarHBondContact O-N 3.26Å; V247-W249 VanDerWaalsContact C-N 3.34Å; V247-W249 PolarHBondContact O-N 3.44Å; V247-A250 PolarHBondContact O-N 3.46Å; V247-M251 HydrophobicContact CG1-CG 4.37Å; V247-M251 HydrophobicContact CG1-SD 3.94Å; V247-M251 WeakPolarHBondContact O-CB 3.44Å; V247-M251 VanDerWaalsContact O-CG 3.28Å; V247-M251 WeakPolarHBondContact O-CG 3.49Å; V247-M251 PolarHBondContact O-N 3.49Å
248	A	95.7	Very high	94	Very high	62 Å²	62	49.5 Å²	49.5	51%	0.512	30%	0.295	S	S	.	.	H	α-helix	trans	-58.3	-45.9	-178.8	0	0	0	0	0	112.1	D244 M251 E252	D244-A248 VanDerWaalsContact O-CB 3.27Å; D244-A248 WeakPolarHBondContact O-CB 3.44Å; D244-A248 PolarHBondContact O-N 3.25Å; A248-M251 PolarHBondContact O-N 2.82Å; A248-E252 PolarHBondContact O-N 3.01Å
249	W	98.1	Very high	93.7	Very high	30 Å²	30	47.6 Å²	47.6	11%	0.114	29%	0.291	C	S	.	.	H	α-helix	trans	-66.4	-43.4	178.6	-176.2	99.1	0	0	0	112.1	L168 F224 I235 D236 Y237 A245 V247 M251 E252 K253	L168-W249 HydrophobicContact CD1-CE3 4.41Å; L168-W249 HydrophobicContact CD1-CZ3 3.76Å; F224-W249 HydrophobicContact CB-CH2 3.62Å; F224-W249 HydrophobicContact CB-CZ3 3.63Å; F224-W249 HydrophobicContact CD2-CZ3 4.34Å; F224-W249 HydrophobicContact CG-CH2 4.37Å; F224-W249 HydrophobicContact CG-CZ3 4.12Å; I235-W249 HydrophobicContact CG2-CH2 4.13Å; I235-W249 HydrophobicContact CG2-CZ2 3.94Å; D236-W249 WeakPolarHBondContact O-CZ2 3.31Å; Y237-W249 HydrophobicContact CD2-CB 4.4Å; Y237-W249 AromaticContact CD2-CD2 3.42Å; Y237-W249 HydrophobicContact CD2-CD2 3.42Å; Y237-W249 VanDerWaalsContact CD2-CD2 3.42Å; Y237-W249 AromaticContact CD2-CE2 3.73Å; Y237-W249 AromaticContact CD2-CE3 3.45Å; Y237-W249 HydrophobicContact CD2-CE3 3.45Å; Y237-W249 VanDerWaalsContact CD2-CE3 3.45Å; Y237-W249 AromaticContact CD2-CG 3.86Å; Y237-W249 HydrophobicContact CD2-CG 3.86Å; Y237-W249 HydrophobicContact CD2-CH2 4.08Å; Y237-W249 HydrophobicContact CD2-CZ2 4.06Å; Y237-W249 AromaticContact CD2-CZ3 3.79Å; Y237-W249 HydrophobicContact CD2-CZ3 3.79Å; Y237-W249 HydrophobicContact CE2-CB 3.79Å; Y237-W249 AromaticContact CE2-CD2 3.75Å; Y237-W249 HydrophobicContact CE2-CD2 3.75Å; Y237-W249 AromaticContact CE2-CE3 3.99Å; Y237-W249 HydrophobicContact CE2-CE3 3.99Å; Y237-W249 AromaticContact CE2-CG 3.67Å; Y237-W249 HydrophobicContact CE2-CG 3.67Å; A245-W249 VanDerWaalsContact O-CB 3.25Å; A245-W249 WeakPolarHBondContact O-CB 3.22Å; A245-W249 PolarHBondContact O-N 2.87Å; V247-W249 VanDerWaalsContact C-N 3.34Å; V247-W249 PolarHBondContact O-N 3.44Å; W249-M251 VanDerWaalsContact C-N 3.34Å; W249-M251 PolarHBondContact O-N 3.36Å; W249-E252 WeakPolarHBondContact O-CB 3.43Å; W249-E252 PolarHBondContact O-N 3.03Å; W249-K253 HydrophobicContact CD2-CG 3.85Å; W249-K253 VanDerWaalsContact CE2-CE 3.46Å; W249-K253 HydrophobicContact CE3-CG 3.88Å; W249-K253 HydrophobicContact CH2-CG 3.89Å; W249-K253 HydrophobicContact CZ2-CD 4.27Å; W249-K253 HydrophobicContact CZ2-CG 3.85Å; W249-K253 HydrophobicContact CZ3-CG 3.9Å; W249-K253 WeakPolarHBondContact O-CG 3.42Å; W249-K253 PolarHBondContact O-N 3.48Å
250	A	97.7	Very high	93.4	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-64.2	-39.7	179.2	0	0	0	0	0	111.8	L168 L193 V197 I246 V247 K253 A254	L168-A250 HydrophobicContact CD2-CB 4.14Å; L193-A250 HydrophobicContact CD1-CB 3.71Å; L193-A250 HydrophobicContact CD2-CB 4.04Å; V197-A250 HydrophobicContact CG2-CB 4.48Å; I246-A250 WeakPolarHBondContact O-CB 3.09Å; I246-A250 PolarHBondContact O-N 3.48Å; V247-A250 PolarHBondContact O-N 3.46Å; A250-K253 PolarHBondContact O-N 2.89Å; A250-A254 VanDerWaalsContact O-CB 3.26Å; A250-A254 WeakPolarHBondContact O-CB 3.33Å; A250-A254 PolarHBondContact O-N 3.21Å
251	M	95	Very high	93.3	Very high	84 Å²	84	47.5 Å²	47.5	41%	0.414	28%	0.283	S	S	.	.	H	α-helix	trans	-62.9	-44.5	173.2	-68.5	-177.6	94.3	0	0	111.4	L193 V247 A248 W249 K253 A254 D255	L193-M251 HydrophobicContact CD2-CG 3.7Å; V247-M251 HydrophobicContact CG1-CG 4.37Å; V247-M251 HydrophobicContact CG1-SD 3.94Å; V247-M251 WeakPolarHBondContact O-CB 3.44Å; V247-M251 VanDerWaalsContact O-CG 3.28Å; V247-M251 WeakPolarHBondContact O-CG 3.49Å; V247-M251 PolarHBondContact O-N 3.49Å; A248-M251 PolarHBondContact O-N 2.82Å; W249-M251 VanDerWaalsContact C-N 3.34Å; W249-M251 PolarHBondContact O-N 3.36Å; M251-K253 PolarHBondContact O-N 3.16Å; M251-A254 PolarHBondContact O-N 3.3Å; M251-D255 WeakPolarHBondContact O-CB 3.45Å; M251-D255 PolarHBondContact O-N 2.94Å
252	E	94.1	Very high	93.1	Very high	105 Å²	105	49.7 Å²	49.7	49%	0.491	30%	0.298	S	S	.	.	H	α-helix	trans	-58.9	-45.8	176.9	-172.2	-160.6	144.4	0	0	112	A248 W249 D255 A256	A248-E252 PolarHBondContact O-N 3.01Å; W249-E252 WeakPolarHBondContact O-CB 3.43Å; W249-E252 PolarHBondContact O-N 3.03Å; E252-D255 PolarHBondContact O-N 3.25Å; E252-A256 WeakPolarHBondContact O-CB 3.45Å; E252-A256 PolarHBondContact O-N 3.38Å
253	K	95.4	Very high	93.3	Very high	53 Å²	53	48.5 Å²	48.5	23%	0.23	29%	0.289	C	S	.	.	H	α-helix	trans	-67.8	-39.4	177.7	-63.1	-56	-179.9	-168.2	0	112.1	F224 I235 W249 A250 M251 A256 S257	F224-K253 HydrophobicContact CD1-CB 3.69Å; F224-K253 HydrophobicContact CD1-CG 4.38Å; F224-K253 HydrophobicContact CD2-CB 4.31Å; F224-K253 HydrophobicContact CE1-CB 3.45Å; F224-K253 VanDerWaalsContact CE1-CB 3.45Å; F224-K253 HydrophobicContact CE2-CB 4.11Å; F224-K253 HydrophobicContact CG-CB 4.11Å; F224-K253 HydrophobicContact CZ-CB 3.69Å; I235-K253 HydrophobicContact CD1-CD 4.36Å; W249-K253 HydrophobicContact CD2-CG 3.85Å; W249-K253 VanDerWaalsContact CE2-CE 3.46Å; W249-K253 HydrophobicContact CE3-CG 3.88Å; W249-K253 HydrophobicContact CH2-CG 3.89Å; W249-K253 HydrophobicContact CZ2-CD 4.27Å; W249-K253 HydrophobicContact CZ2-CG 3.85Å; W249-K253 HydrophobicContact CZ3-CG 3.9Å; W249-K253 WeakPolarHBondContact O-CG 3.42Å; W249-K253 PolarHBondContact O-N 3.48Å; A250-K253 PolarHBondContact O-N 2.89Å; M251-K253 PolarHBondContact O-N 3.16Å; K253-A256 PolarHBondContact O-N 3.34Å; K253-S257 WeakPolarHBondContact O-CB 3.28Å; K253-S257 PolarHBondContact O-N 3.39Å; K253-S257 PolarHBondContact O-OG 3.33Å
254	A	93.5	Very high	93.6	Very high	8 Å²	8	50.3 Å²	50.3	7%	0.066	30%	0.299	C	S	.	.	H	α-helix	trans	-59.1	-49.4	174.4	0	0	0	0	0	111	P166 V197 F224 A250 M251 A256 S257 A258	P166-A254 HydrophobicContact CB-CB 4.39Å; P166-A254 HydrophobicContact CG-CB 4.16Å; V197-A254 HydrophobicContact CG2-CB 3.64Å; F224-A254 HydrophobicContact CZ-CB 4.33Å; A250-A254 VanDerWaalsContact O-CB 3.26Å; A250-A254 WeakPolarHBondContact O-CB 3.33Å; A250-A254 PolarHBondContact O-N 3.21Å; M251-A254 PolarHBondContact O-N 3.3Å; A254-A256 VanDerWaalsContact C-N 3.34Å; A254-A256 PolarHBondContact O-N 2.89Å; A254-S257 CarbonylContact O-C 3.59Å; A254-S257 PolarHBondContact O-N 3.37Å; A254-S257 PolarHBondContact O-OG 3.42Å; A254-A258 PolarHBondContact O-N 3.33Å
255	D	89.4	Confident	93.9	Very high	43 Å²	43	46.6 Å²	46.6	23%	0.23	28%	0.279	C	S	.	.	H	α-helix	trans	-62	-38.8	177.7	-77.6	-14	0	0	0	112.8	M251 E252 K314	M251-D255 WeakPolarHBondContact O-CB 3.45Å; M251-D255 PolarHBondContact O-N 2.94Å; E252-D255 PolarHBondContact O-N 3.25Å; D255-K314 HydrophobicContact CB-CD 4.06Å; D255-K314 HydrophobicContact CB-CG 4.04Å
256	A	89.3	Confident	94	Very high	54 Å²	54	45.1 Å²	45.1	45%	0.446	27%	0.266	S	S	.	.	H	α-helix	trans	-67.1	-38.2	175.8	0	0	0	0	0	112.1	E252 K253 A254 K313	E252-A256 WeakPolarHBondContact O-CB 3.45Å; E252-A256 PolarHBondContact O-N 3.38Å; K253-A256 PolarHBondContact O-N 3.34Å; A254-A256 VanDerWaalsContact C-N 3.34Å; A254-A256 PolarHBondContact O-N 2.89Å; A256-K313 WeakPolarHBondContact O-CE 3.38Å; A256-K313 PolarHBondContact O-NZ 2.85Å; A256-K313 VanDerWaalsContact O-NZ 3.13Å
257	S	89	Confident	93.9	Very high	26 Å²	26	46.4 Å²	46.4	18%	0.182	27%	0.274	C	S	.	.	H	α-helix	trans	-85	-7.1	179.4	68.4	0	0	0	0	115.2	A227 K253 A254	A227-S257 PolarHBondContact N-OG 2.95Å; K253-S257 WeakPolarHBondContact O-CB 3.28Å; K253-S257 PolarHBondContact O-N 3.39Å; K253-S257 PolarHBondContact O-OG 3.33Å; A254-S257 CarbonylContact O-C 3.59Å; A254-S257 PolarHBondContact O-N 3.37Å; A254-S257 PolarHBondContact O-OG 3.42Å
258	A	87.7	Confident	93.9	Very high	27 Å²	27	46.7 Å²	46.7	22%	0.223	28%	0.277	C	S	.	.	S	Bend	trans	-55.6	141.9	-179.6	0	0	0	0	0	110.2	A254 K313	A254-A258 PolarHBondContact O-N 3.33Å; A258-K313 HydrophobicContact CB-CD 4.43Å; A258-K313 WeakPolarHBondContact O-CD 3.34Å; A258-K313 WeakPolarHBondContact O-CE 3.37Å; A258-K313 PolarHBondContact O-NZ 3.07Å
259	P	87	Confident	93.8	Very high	105 Å²	105	46.3 Å²	46.3	68%	0.682	27%	0.273	S	S	*	.	P	Polyproline II helix	trans	-59	151.2	175.2	26.2	-33.9	0	0	0	110
260	A	89.6	Confident	93.7	Very high	59 Å²	59	48.5 Å²	48.5	49%	0.488	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-58.4	140.1	169	0	0	0	0	0	108.9	D310	A260-D310 HydrophobicContact CB-CB 4.07Å
261	P	93.4	Very high	93.6	Very high	34 Å²	34	49.8 Å²	49.8	22%	0.221	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-63	144.1	176.2	28.6	-36.3	0	0	0	110.3	A309 W319	P261-A309 HydrophobicContact CG-CB 3.53Å; P261-A309 WeakPolarHBondContact CG-O 3.39Å; P261-W319 HydrophobicContact CB-CG 4.45Å
262	E	92.5	Very high	93.6	Very high	157 Å²	157	46.2 Å²	46.2	73%	0.734	28%	0.282	S	S	*	.	P	Polyproline II helix	trans	-73.2	137.2	173.3	-168.3	173.4	-175.4	0	0	110.3	V264	E262-V264 HydrophobicContact CB-CG2 4.29Å; E262-V264 HydrophobicContact CG-CG2 3.89Å
263	I	97.2	Very high	93.6	Very high	19 Å²	19	47 Å²	47	10%	0.097	28%	0.284	C	S	.	.			trans	-101.1	103.4	175.5	-56.6	-55.2	0	0	0	107.7	L302 L305 K306 A309 W319 W321	I263-L302 HydrophobicContact CG2-CD2 4.13Å; I263-L305 HydrophobicContact CD1-CD2 4.42Å; I263-L305 HydrophobicContact CD1-CG 4.04Å; I263-L305 HydrophobicContact CG1-CG 4.49Å; I263-L305 HydrophobicContact CG2-CD2 3.67Å; I263-L305 HydrophobicContact CG2-CG 4.25Å; I263-K306 HydrophobicContact CB-CG 4.31Å; I263-K306 HydrophobicContact CG1-CB 4.42Å; I263-K306 HydrophobicContact CG1-CG 3.58Å; I263-A309 HydrophobicContact CD1-CB 3.69Å; I263-W319 HydrophobicContact CD1-CB 3.39Å; I263-W319 HydrophobicContact CD1-CD2 4.15Å; I263-W319 HydrophobicContact CD1-CE3 4.29Å; I263-W319 HydrophobicContact CD1-CG 3.79Å; I263-W321 HydrophobicContact CG2-CG 4.45Å
264	V	97.7	Very high	93.6	Very high	43 Å²	43	50.1 Å²	50.1	26%	0.261	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	135.8	-170.1	-171.4	0	0	0	0	110.9	E262 I271 W319 I320 W321	E262-V264 HydrophobicContact CB-CG2 4.29Å; E262-V264 HydrophobicContact CG-CG2 3.89Å; V264-I271 HydrophobicContact CB-CG2 4.3Å; V264-I271 HydrophobicContact CG1-CD1 4.13Å; V264-I271 HydrophobicContact CG1-CG1 4.19Å; V264-I271 HydrophobicContact CG1-CG2 3.75Å; V264-W319 PolarHBondContact N-O 2.82Å; V264-W319 VanDerWaalsContact N-O 3.15Å; V264-I320 HydrophobicContact CB-CG2 4.41Å; V264-I320 CarbonylContact O-C 3.54Å; V264-I320 VanDerWaalsContact O-CA 3.23Å; V264-I320 WeakPolarHBondContact O-CA 3.43Å; V264-W321 VanDerWaalsContact C-CD1 3.5Å; V264-W321 PolarHBondContact O-N 3.3Å
265	E	98.3	Very high	93.7	Very high	23 Å²	23	50 Å²	50	11%	0.107	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	129.8	169.8	-172.3	-177.8	170	0	0	109.4	T267 W321 K326 A396 W397	E265-T267 HydrophobicContact CB-CG2 4.12Å; E265-T267 HydrophobicContact CG-CG2 3.84Å; E265-T267 PolarHBondContact O-N 2.76Å; E265-W321 CarbonylContact C-O 3.44Å; E265-W321 WeakPolarHBondContact CA-O 3.39Å; E265-W321 HydrophobicContact CB-CD2 4.4Å; E265-W321 HydrophobicContact CB-CH2 4.31Å; E265-W321 HydrophobicContact CB-CZ2 3.55Å; E265-W321 HydrophobicContact CG-CD2 4.34Å; E265-W321 HydrophobicContact CG-CH2 3.82Å; E265-W321 HydrophobicContact CG-CZ2 3.58Å; E265-W321 HydrophobicContact CG-CZ3 4.29Å; E265-K326 IonicContact OE1-NZ 3.49Å; E265-K326 PolarHBondContact OE1-NZ 3.11Å; E265-A396 WeakPolarHBondContact OE2-CA 3.42Å; E265-W397 PolarHBondContact OE1-N 3.12Å; E265-W397 PolarHBondContact OE2-N 3.25Å
266	L	98.1	Very high	93.9	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.005	29%	0.289	C	S	.	.			trans	-71.2	96.8	173.5	179.3	61.9	0	0	0	109.8	S268 I271 L272 I320 W321 H327 L330 I391	L266-S268 WeakPolarHBondContact CD1-O 3.24Å; L266-I271 HydrophobicContact CD1-CB 4.28Å; L266-I271 HydrophobicContact CD1-CG2 4.12Å; L266-L272 HydrophobicContact CD1-CB 3.75Å; L266-L272 HydrophobicContact CD1-CD1 4.47Å; L266-L272 HydrophobicContact CD2-CD1 4.44Å; L266-I320 HydrophobicContact CD1-CD1 4.42Å; L266-I320 HydrophobicContact CD2-CD1 4.38Å; L266-W321 PolarHBondContact N-O 2.98Å; L266-H327 PolarHBondContact O-NE2 2.83Å; L266-L330 HydrophobicContact CD2-CD2 3.44Å; L266-L330 VanDerWaalsContact CD2-CD2 3.44Å; L266-I391 HydrophobicContact CD1-CG1 4.42Å; L266-I391 HydrophobicContact CD1-CG2 4.12Å; L266-I391 HydrophobicContact CD2-CD1 4.12Å; L266-I391 HydrophobicContact CD2-CG1 4.47Å; L266-I391 HydrophobicContact CG-CG2 4.2Å
267	T	96.6	Very high	94	Very high	27 Å²	27	50.5 Å²	50.5	17%	0.166	29%	0.291	C	S	.	.			trans	-112.5	-10.4	178.7	56.2	0	0	0	0	113.7	E265 I271 T393 V394 A396	E265-T267 HydrophobicContact CB-CG2 4.12Å; E265-T267 HydrophobicContact CG-CG2 3.84Å; E265-T267 PolarHBondContact O-N 2.76Å; T267-I271 WeakPolarHBondContact OG1-CD1 2.94Å; T267-T393 CarbonylContact O-C 3.6Å; T267-T393 VanDerWaalsContact O-CA 3.24Å; T267-T393 WeakPolarHBondContact O-CA 3.34Å; T267-V394 WeakPolarHBondContact CB-O 3.46Å; T267-V394 HydrophobicContact CG2-CG2 4.42Å; T267-V394 PolarHBondContact O-N 3.47Å; T267-A396 HydrophobicContact CG2-CB 4.03Å
268	S	96.1	Very high	94.2	Very high	21 Å²	21	55.1 Å²	55.1	15%	0.147	31%	0.313	C	S	.	.	S	Bend	trans	-157.2	166.3	-177.6	74.9	0	0	0	0	112.6	L266 S270 I271 L272	L266-S268 WeakPolarHBondContact CD1-O 3.24Å; S268-S270 VanDerWaalsContact C-N 3.29Å; S268-S270 PolarHBondContact O-N 2.86Å; S268-S270 PolarHBondContact OG-OG 3.39Å; S268-I271 PolarHBondContact O-N 3.13Å; S268-L272 PolarHBondContact O-N 2.97Å
269	A	94.8	Very high	94.5	Very high	53 Å²	53	56.9 Å²	56.9	44%	0.438	32%	0.317	S	S	.	.	H	α-helix	trans	-64.1	-29.8	176.1	0	0	0	0	0	113.9	I271 L272 K273 I391	A269-I271 VanDerWaalsContact C-N 3.34Å; A269-I271 PolarHBondContact O-N 3.46Å; A269-L272 PolarHBondContact O-N 3.05Å; A269-K273 WeakPolarHBondContact O-CB 3.19Å; A269-K273 PolarHBondContact O-N 3.08Å; A269-I391 HydrophobicContact CB-CB 4.21Å
270	S	95.2	Very high	94.9	Very high	77 Å²	77	55.4 Å²	55.4	54%	0.538	31%	0.307	S	S	.	.	H	α-helix	trans	-65.8	-38.5	179	60.1	0	0	0	0	111.7	S268 K273 E274	S268-S270 VanDerWaalsContact C-N 3.29Å; S268-S270 PolarHBondContact O-N 2.86Å; S268-S270 PolarHBondContact OG-OG 3.39Å; S270-K273 PolarHBondContact O-N 3.45Å; S270-E274 WeakPolarHBondContact O-CB 3.3Å; S270-E274 PolarHBondContact O-N 3.48Å
271	I	96.6	Very high	95.2	Very high	27 Å²	27	53.9 Å²	53.9	14%	0.138	29%	0.291	C	S	.	.	H	α-helix	trans	-65.5	-43.7	177.7	-70.2	159.8	0	0	0	110.8	V264 L266 T267 S268 A269 K273 A275 I320	V264-I271 HydrophobicContact CB-CG2 4.3Å; V264-I271 HydrophobicContact CG1-CD1 4.13Å; V264-I271 HydrophobicContact CG1-CG1 4.19Å; V264-I271 HydrophobicContact CG1-CG2 3.75Å; L266-I271 HydrophobicContact CD1-CB 4.28Å; L266-I271 HydrophobicContact CD1-CG2 4.12Å; T267-I271 WeakPolarHBondContact OG1-CD1 2.94Å; S268-I271 PolarHBondContact O-N 3.13Å; A269-I271 VanDerWaalsContact C-N 3.34Å; A269-I271 PolarHBondContact O-N 3.46Å; I271-K273 VanDerWaalsContact C-N 3.3Å; I271-K273 PolarHBondContact O-N 3.32Å; I271-A275 VanDerWaalsContact O-CB 3.27Å; I271-A275 WeakPolarHBondContact O-CB 3.38Å; I271-A275 PolarHBondContact O-N 3.49Å; I271-I320 HydrophobicContact CG2-CG2 3.85Å
272	L	95.3	Very high	95.4	Very high	8 Å²	8	52.3 Å²	52.3	4%	0.042	28%	0.281	C	S	.	.	H	α-helix	trans	-60.7	-44.4	175.7	-174.1	68.2	0	0	0	111.2	L266 S268 A269 C276 I284 I320 L330 L388 I391	L266-L272 HydrophobicContact CD1-CB 3.75Å; L266-L272 HydrophobicContact CD1-CD1 4.47Å; L266-L272 HydrophobicContact CD2-CD1 4.44Å; S268-L272 PolarHBondContact O-N 2.97Å; A269-L272 PolarHBondContact O-N 3.05Å; L272-C276 VanDerWaalsContact O-CB 3.25Å; L272-C276 WeakPolarHBondContact O-CB 3.04Å; L272-C276 PolarHBondContact O-N 2.91Å; L272-C276 PolarHBondContact O-SG 3.23Å; L272-I284 HydrophobicContact CD1-CD1 4.37Å; L272-I320 HydrophobicContact CD1-CD1 3.64Å; L272-L330 HydrophobicContact CD2-CD1 4.37Å; L272-L388 HydrophobicContact CD2-CB 4.11Å; L272-L388 HydrophobicContact CD2-CD1 4.24Å; L272-L388 HydrophobicContact CG-CD1 4.31Å; L272-I391 HydrophobicContact CB-CG1 4.09Å; L272-I391 HydrophobicContact CD2-CD1 3.91Å; L272-I391 HydrophobicContact CD2-CG1 3.51Å; L272-I391 HydrophobicContact CG-CG1 4.37Å
273	K	93.8	Very high	95.7	Very high	122 Å²	122	44.9 Å²	44.9	53%	0.53	25%	0.246	S	C	.	.	H	α-helix	trans	-61.8	-53	-178.7	-169.9	-175.2	178.9	-176.3	0	111.3	A269 S270 I271 A275 C276 E277	A269-K273 WeakPolarHBondContact O-CB 3.19Å; A269-K273 PolarHBondContact O-N 3.08Å; S270-K273 PolarHBondContact O-N 3.45Å; I271-K273 VanDerWaalsContact C-N 3.3Å; I271-K273 PolarHBondContact O-N 3.32Å; K273-A275 PolarHBondContact O-N 3.34Å; K273-C276 PolarHBondContact O-N 3.47Å; K273-E277 WeakPolarHBondContact CE-OE2 3.33Å; K273-E277 HydrophobicContact CG-CB 4.5Å; K273-E277 VanDerWaalsContact CG-CD 3.4Å; K273-E277 HydrophobicContact CG-CG 4.03Å; K273-E277 WeakPolarHBondContact CG-OE2 3.15Å; K273-E277 VanDerWaalsContact O-CB 3.23Å; K273-E277 WeakPolarHBondContact O-CB 3.49Å; K273-E277 WeakPolarHBondContact O-CG 3Å; K273-E277 PolarHBondContact O-N 2.67Å
274	E	94.2	Very high	95.7	Very high	119 Å²	119	44 Å²	44	56%	0.556	24%	0.241	S	C	*	.	H	α-helix	trans	-56.2	-51.6	178.1	-177.1	175.2	177.6	0	0	110.7	S270 C276 D278 H279	S270-E274 WeakPolarHBondContact O-CB 3.3Å; S270-E274 PolarHBondContact O-N 3.48Å; E274-C276 VanDerWaalsContact C-N 3.32Å; E274-C276 PolarHBondContact O-N 3.33Å; E274-D278 WeakPolarHBondContact O-CB 3.5Å; E274-D278 PolarHBondContact O-N 2.82Å; E274-H279 PolarHBondContact O-CD2 3.27Å
275	A	95.1	Very high	95.7	Very high	6 Å²	6	41.9 Å²	41.9	5%	0.05	23%	0.229	C	C	.	.	H	α-helix	trans	-63.4	-33.4	-178.3	0	0	0	0	0	113.9	I271 K273 C282 I320	I271-A275 VanDerWaalsContact O-CB 3.27Å; I271-A275 WeakPolarHBondContact O-CB 3.38Å; I271-A275 PolarHBondContact O-N 3.49Å; K273-A275 PolarHBondContact O-N 3.34Å; A275-C282 PolarHBondContact O-SG 2.88Å; A275-I320 HydrophobicContact CB-CD1 4.41Å; A275-I320 HydrophobicContact CB-CG2 3.46Å; A275-I320 VanDerWaalsContact CB-CG2 3.46Å
276	C	94.5	Very high	95.7	Very high	3 Å²	3	40.9 Å²	40.9	2%	0.02	22%	0.224	C	C	.	.	H	α-helix	trans	-106.2	-15.8	-171.3	-61.8	0	0	0	0	115.5	L272 K273 E274 C282 L388	L272-C276 VanDerWaalsContact O-CB 3.25Å; L272-C276 WeakPolarHBondContact O-CB 3.04Å; L272-C276 PolarHBondContact O-N 2.91Å; L272-C276 PolarHBondContact O-SG 3.23Å; K273-C276 PolarHBondContact O-N 3.47Å; E274-C276 VanDerWaalsContact C-N 3.32Å; E274-C276 PolarHBondContact O-N 3.33Å; C276-C282 WeakPolarHBondContact CA-SG 3.48Å; C276-C282 HydrophobicContact CB-CB 3.62Å; C276-C282 WeakPolarHBondContact CB-SG 3.47Å; C276-C282 PolarHBondContact N-SG 3.45Å; C276-C282 WeakPolarHBondContact SG-CB 3.43Å; C276-C282 CovalentContact SG-SG 2.05Å; C276-C282 PolarHBondContact SG-SG 3.49Å; C276-L388 HydrophobicContact CB-CD1 3.92Å
277	E	92.4	Very high	95.6	Very high	104 Å²	104	40.8 Å²	40.8	49%	0.486	22%	0.224	S	C	.	.	H	α-helix	trans	-103.3	-35.8	178.7	-63.4	-172.1	179.8	0	0	113.3	K273 H279	K273-E277 WeakPolarHBondContact CE-OE2 3.33Å; K273-E277 HydrophobicContact CG-CB 4.5Å; K273-E277 VanDerWaalsContact CG-CD 3.4Å; K273-E277 HydrophobicContact CG-CG 4.03Å; K273-E277 WeakPolarHBondContact CG-OE2 3.15Å; K273-E277 VanDerWaalsContact O-CB 3.23Å; K273-E277 WeakPolarHBondContact O-CB 3.49Å; K273-E277 WeakPolarHBondContact O-CG 3Å; K273-E277 PolarHBondContact O-N 2.67Å; E277-H279 VanDerWaalsContact C-N 3.34Å
278	D	92.5	Very high	95.6	Very high	122 Å²	122	40.1 Å²	40.1	65%	0.652	22%	0.22	S	C	*	.	S	Bend	trans	-86.4	-8.8	-176.6	-63.4	-29.2	0	0	0	112.9	E274	E274-D278 WeakPolarHBondContact O-CB 3.5Å; E274-D278 PolarHBondContact O-N 2.82Å
279	H	94.8	Very high	95.5	Very high	64 Å²	64	42 Å²	42	30%	0.296	23%	0.227	S	C	.	.	S	Bend	trans	-118	152.6	-177.7	-63.4	-81.6	0	0	0	113.1	E274 E277 L281 K316 G318	E274-H279 PolarHBondContact O-CD2 3.27Å; E277-H279 VanDerWaalsContact C-N 3.34Å; H279-L281 VanDerWaalsContact C-N 3.33Å; H279-L281 PolarHBondContact O-N 3.31Å; H279-K316 PolarHBondContact ND1-O 2.83Å; H279-G318 VanDerWaalsContact CB-N 3.31Å; H279-G318 VanDerWaalsContact CG-N 3.3Å
280	P	94.3	Very high	95.4	Very high	74 Å²	74	40.2 Å²	40.2	48%	0.481	21%	0.21	S	C	.	.	S	Bend	trans	-61.6	-38.3	177.8	-23.5	34.7	0	0	0	113.6	K316	P280-K316 WeakPolarHBondContact CD-O 2.88Å
281	L	96.3	Very high	95.3	Very high	28 Å²	28	41.4 Å²	41.4	15%	0.147	21%	0.206	C	C	.	.			trans	-136.2	150.8	172.1	-63.9	178.7	0	0	0	109.7	H279 I283 W317 G318 V347 H348 L373	H279-L281 VanDerWaalsContact C-N 3.33Å; H279-L281 PolarHBondContact O-N 3.31Å; L281-I283 HydrophobicContact CB-CD1 4.46Å; L281-W317 HydrophobicContact CB-CD2 4.41Å; L281-W317 HydrophobicContact CB-CG 3.98Å; L281-W317 HydrophobicContact CD1-CZ2 4.02Å; L281-W317 WeakPolarHBondContact O-CA 3.19Å; L281-W317 WeakPolarHBondContact O-CB 3.24Å; L281-G318 PolarHBondContact O-N 2.99Å; L281-V347 WeakPolarHBondContact CA-O 3.43Å; L281-H348 HydrophobicContact CD2-CB 3.65Å; L281-L373 HydrophobicContact CD1-CB 4.29Å; L281-L373 HydrophobicContact CD1-CD2 4.33Å
282	C	97.3	Very high	95	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	115.2	174.3	-159	0	0	0	0	108.1	A275 C276 A346 V347	A275-C282 PolarHBondContact O-SG 2.88Å; C276-C282 WeakPolarHBondContact CA-SG 3.48Å; C276-C282 HydrophobicContact CB-CB 3.62Å; C276-C282 WeakPolarHBondContact CB-SG 3.47Å; C276-C282 PolarHBondContact N-SG 3.45Å; C276-C282 WeakPolarHBondContact SG-CB 3.43Å; C276-C282 CovalentContact SG-SG 2.05Å; C276-C282 PolarHBondContact SG-SG 3.49Å; C282-A346 CarbonylContact O-C 3.6Å; C282-A346 WeakPolarHBondContact O-CA 3.32Å; C282-V347 HydrophobicContact CB-CB 4.2Å; C282-V347 PolarHBondContact N-O 2.96Å; C282-V347 PolarHBondContact O-N 3.11Å
283	I	98.3	Very high	94.7	Very high	1 Å²	1	46 Å²	46	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	117.5	176.9	-50	-56.2	0	0	0	108.1	L281 W317 G318 W319 I320 M344 A346 L370 L373	L281-I283 HydrophobicContact CB-CD1 4.46Å; I283-W317 HydrophobicContact CD1-CD2 4.23Å; I283-W317 HydrophobicContact CD1-CE3 3.91Å; I283-W317 HydrophobicContact CD1-CZ3 4.47Å; I283-W317 HydrophobicContact CG1-CB 4.13Å; I283-W317 HydrophobicContact CG1-CD2 4.26Å; I283-W317 HydrophobicContact CG1-CE3 3.82Å; I283-W317 HydrophobicContact CG1-CG 4.44Å; I283-G318 PolarHBondContact N-O 2.68Å; I283-W319 HydrophobicContact CB-CD2 4.14Å; I283-W319 HydrophobicContact CB-CE3 3.7Å; I283-W319 HydrophobicContact CB-CZ3 3.94Å; I283-W319 HydrophobicContact CG1-CD2 4.27Å; I283-W319 HydrophobicContact CG1-CE3 4.1Å; I283-W319 HydrophobicContact CG1-CH2 4.16Å; I283-W319 HydrophobicContact CG1-CZ2 4.31Å; I283-W319 HydrophobicContact CG1-CZ3 4.05Å; I283-W319 HydrophobicContact CG2-CE3 3.76Å; I283-W319 HydrophobicContact CG2-CH2 4.46Å; I283-W319 HydrophobicContact CG2-CZ3 3.65Å; I283-I320 PolarHBondContact O-N 2.84Å; I283-M344 HydrophobicContact CG2-CE 4.13Å; I283-M344 HydrophobicContact CG2-CG 3.99Å; I283-M344 HydrophobicContact CG2-SD 3.89Å; I283-A346 HydrophobicContact CD1-CB 3.7Å; I283-L370 HydrophobicContact CD1-CD2 4.2Å; I283-L370 HydrophobicContact CG1-CD2 4.37Å; I283-L370 HydrophobicContact CG2-CD2 4.31Å; I283-L373 HydrophobicContact CD1-CD1 4.12Å
284	I	97.9	Very high	94.7	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	116.3	-175.4	-49.9	-176.4	0	0	0	108	L272 V286 I320 L334 M344 V345 V347	L272-I284 HydrophobicContact CD1-CD1 4.37Å; I284-V286 HydrophobicContact CG2-CG2 4.49Å; I284-I320 WeakPolarHBondContact CA-O 3.35Å; I284-I320 HydrophobicContact CB-CG1 4.24Å; I284-I320 HydrophobicContact CD1-CD1 4.1Å; I284-I320 HydrophobicContact CG1-CD1 3.86Å; I284-I320 HydrophobicContact CG1-CG1 3.78Å; I284-I320 HydrophobicContact CG2-CD1 4.38Å; I284-I320 HydrophobicContact CG2-CG1 4.21Å; I284-L334 HydrophobicContact CD1-CD1 3.69Å; I284-M344 WeakPolarHBondContact O-CA 3.42Å; I284-V345 PolarHBondContact N-O 2.91Å; I284-V345 PolarHBondContact O-N 3.04Å; I284-V347 HydrophobicContact CD1-CG2 3.95Å
285	S	98.2	Very high	94.7	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	126.6	172.8	-63.1	0	0	0	0	110.9	I320 W321 T322 A343 M344 Y361	S285-I320 PolarHBondContact N-O 3.38Å; S285-W321 CarbonylContact O-C 3.48Å; S285-W321 WeakPolarHBondContact O-CA 3.47Å; S285-W321 WeakPolarHBondContact O-CB 3.34Å; S285-T322 PolarHBondContact O-N 3.41Å; S285-A343 CarbonylContact C-O 3.5Å; S285-A343 WeakPolarHBondContact CA-O 3.41Å; S285-M344 WeakPolarHBondContact OG-CE 3.2Å; S285-Y361 WeakPolarHBondContact CB-OH 3.34Å; S285-Y361 PolarHBondContact OG-OH 3.08Å
286	V	97.4	Very high	94.7	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.006	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	111.7	175.2	-170.8	0	0	0	0	108	I284 T322 A324 I336 Y341 P342 A343	I284-V286 HydrophobicContact CG2-CG2 4.49Å; V286-T322 CarbonylContact C-O 3.22Å; V286-T322 WeakPolarHBondContact CA-O 3.49Å; V286-T322 HydrophobicContact CB-CG2 4.48Å; V286-T322 HydrophobicContact CG1-CG2 4.15Å; V286-T322 HydrophobicContact CG2-CG2 4.01Å; V286-A324 HydrophobicContact CG1-CB 4.2Å; V286-I336 HydrophobicContact CB-CG2 4.25Å; V286-I336 HydrophobicContact CG2-CD1 3.74Å; V286-I336 HydrophobicContact CG2-CG2 4.06Å; V286-Y341 HydrophobicContact CB-CD1 4.13Å; V286-Y341 HydrophobicContact CB-CE1 4.23Å; V286-Y341 HydrophobicContact CG1-CD1 3.66Å; V286-Y341 HydrophobicContact CG1-CE1 3.51Å; V286-P342 CarbonylContact O-C 3.5Å; V286-P342 WeakPolarHBondContact O-CA 3.46Å; V286-A343 PolarHBondContact N-O 2.75Å; V286-A343 PolarHBondContact O-N 3.41Å
287	F	97.1	Very high	94.8	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	154.2	-178	-62	-32.3	0	0	0	111.4	R298 Y301 L302 L305 W321 T322 A324 P342 Y361	F287-R298 HydrophobicContact CD2-CG 4.46Å; F287-Y301 HydrophobicContact CD1-CD2 4.43Å; F287-Y301 HydrophobicContact CD1-CG 4.2Å; F287-Y301 HydrophobicContact CE1-CG 4.26Å; F287-L302 HydrophobicContact CE2-CD2 3.73Å; F287-L302 HydrophobicContact CE2-CG 3.9Å; F287-L305 HydrophobicContact CZ-CD2 4.04Å; F287-W321 HydrophobicContact CD2-CB 4.31Å; F287-W321 HydrophobicContact CD2-CD2 4.1Å; F287-W321 AromaticContact CD2-CE3 3.53Å; F287-W321 HydrophobicContact CD2-CE3 3.53Å; F287-W321 HydrophobicContact CD2-CG 4.45Å; F287-W321 HydrophobicContact CD2-CZ3 4.23Å; F287-W321 HydrophobicContact CE2-CB 3.8Å; F287-W321 HydrophobicContact CE2-CD2 4.02Å; F287-W321 AromaticContact CE2-CE3 3.94Å; F287-W321 HydrophobicContact CE2-CE3 3.94Å; F287-W321 AromaticContact CE2-CG 3.99Å; F287-W321 HydrophobicContact CE2-CG 3.99Å; F287-W321 HydrophobicContact CZ-CB 4.28Å; F287-T322 PolarHBondContact N-O 2.96Å; F287-A324 WeakPolarHBondContact O-CB 3.44Å; F287-A324 PolarHBondContact O-N 3.42Å; F287-P342 HydrophobicContact CD1-CB 4.01Å; F287-Y361 HydrophobicContact CE1-CE1 4.12Å; F287-Y361 HydrophobicContact CE1-CE2 4.22Å; F287-Y361 AromaticContact CE1-CZ 3.68Å; F287-Y361 WeakPolarHBondContact CE1-OH 3.45Å
288	P	96.2	Very high	95	Very high	13 Å²	13	40.1 Å²	40.1	8%	0.084	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-58	157.7	178.1	-17.3	28.5	0	0	0	112	D292 C293 R298 Y301	P288-D292 HydrophobicContact CB-CB 4.28Å; P288-C293 HydrophobicContact CB-CB 3.71Å; P288-C293 HydrophobicContact CG-CB 4.03Å; P288-R298 PolarHBondContact O-NH2 3.47Å; P288-Y301 HydrophobicContact CG-CE2 4.35Å
289	M	94.2	Very high	95.3	Very high	60 Å²	60	38.2 Å²	38.2	30%	0.296	20%	0.198	S	C	.	.	P	Polyproline II helix	trans	-54.4	149.8	174.4	-65.4	-175.6	70.7	0	0	110.6	F291 D292 C293 E323 A324 L325	M289-F291 HydrophobicContact CE-CD2 4.49Å; M289-F291 PolarHBondContact O-N 3.25Å; M289-D292 PolarHBondContact O-N 3.15Å; M289-C293 PolarHBondContact O-N 2.7Å; M289-E323 WeakPolarHBondContact CA-OE1 3.23Å; M289-A324 HydrophobicContact CG-CB 4.14Å; M289-L325 HydrophobicContact SD-CD1 3.93Å
290	L	92.5	Very high	95.4	Very high	15 Å²	15	42.3 Å²	42.3	8%	0.079	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-28.7	-177.2	-166.6	63.9	0	0	0	111.9	D292 C293 Q294 E323 W397 K400 A402	L290-D292 VanDerWaalsContact C-N 3.35Å; L290-C293 CarbonylContact O-C 3.56Å; L290-C293 PolarHBondContact O-N 2.95Å; L290-Q294 WeakPolarHBondContact O-CA 3.45Å; L290-Q294 PolarHBondContact O-N 3.05Å; L290-Q294 VanDerWaalsContact O-N 3.12Å; L290-Q294 PolarHBondContact O-NE2 3.23Å; L290-E323 PolarHBondContact N-OE1 3.15Å; L290-W397 HydrophobicContact CD1-CZ2 4.36Å; L290-K400 WeakPolarHBondContact CD2-O 3.39Å; L290-A402 HydrophobicContact CB-CB 4.1Å; L290-A402 HydrophobicContact CD2-CB 4.06Å; L290-A402 HydrophobicContact CG-CB 3.86Å
291	F	92.1	Very high	95.6	Very high	103 Å²	103	41.6 Å²	41.6	45%	0.452	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-35	173.4	-67.6	-79	0	0	0	113.2	M289 A402 P403 T405	M289-F291 HydrophobicContact CE-CD2 4.49Å; M289-F291 PolarHBondContact O-N 3.25Å; F291-A402 HydrophobicContact CD1-CB 3.62Å; F291-A402 HydrophobicContact CD2-CB 4.32Å; F291-A402 HydrophobicContact CE1-CB 3.69Å; F291-A402 HydrophobicContact CE2-CB 4.38Å; F291-A402 HydrophobicContact CG-CB 3.95Å; F291-A402 HydrophobicContact CZ-CB 4.08Å; F291-P403 WeakPolarHBondContact CE1-O 3.14Å; F291-P403 HydrophobicContact CZ-CG 4.42Å; F291-T405 HydrophobicContact CD1-CG2 4.39Å; F291-T405 HydrophobicContact CE1-CG2 4.03Å
292	D	91.3	Very high	95.6	Very high	126 Å²	126	41 Å²	41	67%	0.674	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-31.8	177.3	-60.5	-31.9	0	0	0	112	P288 M289 L290	P288-D292 HydrophobicContact CB-CB 4.28Å; M289-D292 PolarHBondContact O-N 3.15Å; L290-D292 VanDerWaalsContact C-N 3.35Å
293	C	88.2	Confident	95.7	Very high	4 Å²	4	45.4 Å²	45.4	3%	0.027	22%	0.224	C	C	.	.	S	Bend	trans	-140.7	82.6	-171.2	176.8	0	0	0	0	107.9	P288 M289 L290 C297 R298	P288-C293 HydrophobicContact CB-CB 3.71Å; P288-C293 HydrophobicContact CG-CB 4.03Å; M289-C293 PolarHBondContact O-N 2.7Å; L290-C293 CarbonylContact O-C 3.56Å; L290-C293 PolarHBondContact O-N 2.95Å; C293-C297 HydrophobicContact CB-CB 3.94Å; C293-C297 WeakPolarHBondContact CB-SG 3.33Å; C293-C297 WeakPolarHBondContact SG-CB 3.44Å; C293-C297 CovalentContact SG-SG 2.04Å; C293-C297 PolarHBondContact SG-SG 2.88Å; C293-R298 PolarHBondContact SG-N 2.69Å
294	Q	93.6	Very high	95.7	Very high	73 Å²	73	46.8 Å²	46.8	34%	0.341	23%	0.231	S	C	.	.			trans	-50.5	173.6	176.6	-62.5	-64.1	-21.1	0	0	112.4	L290 D296 C297 R298	L290-Q294 WeakPolarHBondContact O-CA 3.45Å; L290-Q294 PolarHBondContact O-N 3.05Å; L290-Q294 VanDerWaalsContact O-N 3.12Å; L290-Q294 PolarHBondContact O-NE2 3.23Å; Q294-D296 VanDerWaalsContact C-N 3.27Å; Q294-D296 PolarHBondContact O-N 3.45Å; Q294-D296 VanDerWaalsContact O-N 3.09Å; Q294-C297 WeakPolarHBondContact O-CB 3.3Å; Q294-C297 PolarHBondContact O-N 2.94Å; Q294-R298 PolarHBondContact O-N 2.98Å; Q294-R298 VanDerWaalsContact O-N 3.08Å
295	S	94.9	Very high	95.7	Very high	7 Å²	7	46.8 Å²	46.8	5%	0.049	23%	0.231	C	C	.	.	H	α-helix	trans	-55.8	-38.2	-168.5	71.2	0	0	0	0	113.9	C297 R298 K299 D401	S295-C297 PolarHBondContact O-N 2.92Å; S295-R298 PolarHBondContact O-N 3.41Å; S295-K299 WeakPolarHBondContact O-CB 3.3Å; S295-K299 WeakPolarHBondContact O-CD 3.37Å; S295-K299 WeakPolarHBondContact O-CG 3.41Å; S295-K299 PolarHBondContact O-N 2.89Å; S295-K299 PolarHBondContact OG-NZ 3.33Å; S295-D401 WeakPolarHBondContact CA-OD1 3.23Å; S295-D401 WeakPolarHBondContact CB-OD1 3.43Å; S295-D401 PolarHBondContact N-OD1 3.01Å; S295-D401 PolarHBondContact OG-OD1 3.18Å
296	D	95.9	Very high	95.7	Very high	110 Å²	110	52.1 Å²	52.1	59%	0.588	25%	0.254	S	S	*	.	H	α-helix	trans	-63.7	-39.6	177.7	-79.1	-7.9	0	0	0	112.7	Q294 K300	Q294-D296 VanDerWaalsContact C-N 3.27Å; Q294-D296 PolarHBondContact O-N 3.45Å; Q294-D296 VanDerWaalsContact O-N 3.09Å; D296-K300 WeakPolarHBondContact O-CG 3.45Å; D296-K300 PolarHBondContact O-N 2.66Å
297	C	95.3	Very high	95.7	Very high	42 Å²	42	55.6 Å²	55.6	28%	0.284	28%	0.275	S	S	.	.	H	α-helix	trans	-67.2	-46.3	176	170.5	0	0	0	0	110.5	C293 Q294 S295 K299 K300 Y301	C293-C297 HydrophobicContact CB-CB 3.94Å; C293-C297 WeakPolarHBondContact CB-SG 3.33Å; C293-C297 WeakPolarHBondContact SG-CB 3.44Å; C293-C297 CovalentContact SG-SG 2.04Å; C293-C297 PolarHBondContact SG-SG 2.88Å; Q294-C297 WeakPolarHBondContact O-CB 3.3Å; Q294-C297 PolarHBondContact O-N 2.94Å; S295-C297 PolarHBondContact O-N 2.92Å; C297-K299 PolarHBondContact O-N 2.8Å; C297-K300 WeakPolarHBondContact O-CB 3.31Å; C297-K300 PolarHBondContact O-N 3.41Å; C297-Y301 WeakPolarHBondContact O-CD2 3.26Å; C297-Y301 PolarHBondContact O-N 3.49Å
298	R	97.1	Very high	95.7	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-61.2	-43.2	176.1	-176.3	168.3	-65.7	-180	-1.7	112.8	F287 P288 C293 Q294 S295 K300 Y301 L302 E323 W397	F287-R298 HydrophobicContact CD2-CG 4.46Å; P288-R298 PolarHBondContact O-NH2 3.47Å; C293-R298 PolarHBondContact SG-N 2.69Å; Q294-R298 PolarHBondContact O-N 2.98Å; Q294-R298 VanDerWaalsContact O-N 3.08Å; S295-R298 PolarHBondContact O-N 3.41Å; R298-K300 VanDerWaalsContact C-N 3.28Å; R298-K300 PolarHBondContact O-N 2.91Å; R298-Y301 PolarHBondContact O-N 2.89Å; R298-L302 HydrophobicContact CG-CD1 4.14Å; R298-L302 PolarHBondContact O-N 2.95Å; R298-E323 IonicContact CZ-OE2 2.98Å; R298-E323 IonicContact NH1-OE2 3.55Å; R298-E323 PolarHBondContact NH1-OE2 2.84Å; R298-E323 IonicContact NH2-OE1 3.16Å; R298-E323 IonicContact NH2-OE2 2.65Å; R298-E323 PolarHBondContact NH2-OE2 3.26Å; R298-W397 HydrophobicContact CB-CH2 4.15Å; R298-W397 HydrophobicContact CB-CZ2 4.46Å; R298-W397 HydrophobicContact CG-CE3 4.4Å; R298-W397 HydrophobicContact CG-CH2 3.97Å; R298-W397 HydrophobicContact CG-CZ2 4.44Å; R298-W397 HydrophobicContact CG-CZ3 3.95Å
299	K	97.6	Very high	95.8	Very high	81 Å²	81	55 Å²	55	35%	0.352	27%	0.272	S	S	.	.	H	α-helix	trans	-58.4	-38.7	175.4	-75.4	162.3	-169.9	156.9	0	111.7	S295 C297 L302 N303 W397 G399	S295-K299 WeakPolarHBondContact O-CB 3.3Å; S295-K299 WeakPolarHBondContact O-CD 3.37Å; S295-K299 WeakPolarHBondContact O-CG 3.41Å; S295-K299 PolarHBondContact O-N 2.89Å; S295-K299 PolarHBondContact OG-NZ 3.33Å; C297-K299 PolarHBondContact O-N 2.8Å; K299-L302 PolarHBondContact O-N 2.72Å; K299-N303 WeakPolarHBondContact O-CB 3.39Å; K299-N303 PolarHBondContact O-N 2.9Å; K299-N303 PolarHBondContact O-ND2 3.49Å; K299-W397 HydrophobicContact CG-CH2 4.07Å; K299-G399 PolarHBondContact NZ-O 3.13Å
300	K	97.5	Very high	95.8	Very high	151 Å²	151	55.3 Å²	55.3	66%	0.657	27%	0.274	S	S	*	.	H	α-helix	trans	-62.5	-44.7	175.4	-72.1	171.2	-173.4	176.6	0	112	D296 C297 R298 N303 L304	D296-K300 WeakPolarHBondContact O-CG 3.45Å; D296-K300 PolarHBondContact O-N 2.66Å; C297-K300 WeakPolarHBondContact O-CB 3.31Å; C297-K300 PolarHBondContact O-N 3.41Å; R298-K300 VanDerWaalsContact C-N 3.28Å; R298-K300 PolarHBondContact O-N 2.91Å; K300-N303 PolarHBondContact O-N 2.88Å; K300-L304 WeakPolarHBondContact O-CB 3.36Å; K300-L304 PolarHBondContact O-N 3.5Å
301	Y	97.8	Very high	95.9	Very high	58 Å²	58	59.8 Å²	59.8	23%	0.227	29%	0.293	C	S	.	.	H	α-helix	trans	-65.9	-41.8	176.4	-69.2	-54	0	0	0	112.7	F287 P288 C297 R298 N303 L304 L305 P342 Y361	F287-Y301 HydrophobicContact CD1-CD2 4.43Å; F287-Y301 HydrophobicContact CD1-CG 4.2Å; F287-Y301 HydrophobicContact CE1-CG 4.26Å; P288-Y301 HydrophobicContact CG-CE2 4.35Å; C297-Y301 WeakPolarHBondContact O-CD2 3.26Å; C297-Y301 PolarHBondContact O-N 3.49Å; R298-Y301 PolarHBondContact O-N 2.89Å; Y301-N303 VanDerWaalsContact C-N 3.33Å; Y301-N303 PolarHBondContact O-N 2.74Å; Y301-L304 PolarHBondContact O-N 3.43Å; Y301-L305 WeakPolarHBondContact O-CB 3.36Å; Y301-L305 PolarHBondContact O-N 3.23Å; Y301-P342 HydrophobicContact CD1-CG 4.28Å; Y301-P342 HydrophobicContact CE1-CG 3.68Å; Y301-P342 HydrophobicContact CE2-CG 4.25Å; Y301-Y361 AromaticContact CD1-CD1 3.86Å; Y301-Y361 HydrophobicContact CD1-CD1 3.86Å; Y301-Y361 HydrophobicContact CD1-CE1 4.12Å; Y301-Y361 HydrophobicContact CE1-CD1 4.18Å
302	L	98	Very high	96	Very high	17 Å²	17	55.7 Å²	55.7	9%	0.089	28%	0.275	C	S	.	.	H	α-helix	trans	-60.2	-42.5	173.9	-75.7	168.1	0	0	0	112	I263 F287 R298 K299 L305 K306 W321 W397	I263-L302 HydrophobicContact CG2-CD2 4.13Å; F287-L302 HydrophobicContact CE2-CD2 3.73Å; F287-L302 HydrophobicContact CE2-CG 3.9Å; R298-L302 HydrophobicContact CG-CD1 4.14Å; R298-L302 PolarHBondContact O-N 2.95Å; K299-L302 PolarHBondContact O-N 2.72Å; L302-L305 PolarHBondContact O-N 3.4Å; L302-K306 WeakPolarHBondContact O-CB 3.38Å; L302-K306 VanDerWaalsContact O-CG 3.24Å; L302-K306 WeakPolarHBondContact O-CG 3.41Å; L302-K306 PolarHBondContact O-N 2.99Å; L302-W321 HydrophobicContact CD1-CZ2 4.46Å; L302-W321 HydrophobicContact CD2-CD2 3.9Å; L302-W321 HydrophobicContact CD2-CG 3.91Å; L302-W321 HydrophobicContact CD2-CZ2 4.36Å; L302-W397 HydrophobicContact CD1-CE3 4.39Å; L302-W397 HydrophobicContact CD1-CZ3 3.73Å
303	N	98	Very high	96.1	Very high	91 Å²	91	51.8 Å²	51.8	49%	0.487	25%	0.252	S	S	.	.	H	α-helix	trans	-66.7	-39.4	178.1	-72.7	-18.9	0	0	0	112.2	K299 K300 Y301 T307	K299-N303 WeakPolarHBondContact O-CB 3.39Å; K299-N303 PolarHBondContact O-N 2.9Å; K299-N303 PolarHBondContact O-ND2 3.49Å; K300-N303 PolarHBondContact O-N 2.88Å; Y301-N303 VanDerWaalsContact C-N 3.33Å; Y301-N303 PolarHBondContact O-N 2.74Å; N303-T307 WeakPolarHBondContact O-CB 3.28Å; N303-T307 PolarHBondContact O-N 3.44Å; N303-T307 PolarHBondContact O-OG1 2.98Å
304	L	98.3	Very high	96.1	Very high	31 Å²	31	56.7 Å²	56.7	16%	0.162	27%	0.273	C	S	.	.	H	α-helix	trans	-59.8	-50.7	172.4	-173	167.9	0	0	0	110	K300 Y301 K306 T307 E308 Y361 V366	K300-L304 WeakPolarHBondContact O-CB 3.36Å; K300-L304 PolarHBondContact O-N 3.5Å; Y301-L304 PolarHBondContact O-N 3.43Å; L304-K306 PolarHBondContact O-N 3.23Å; L304-T307 WeakPolarHBondContact O-CB 3.33Å; L304-T307 PolarHBondContact O-N 3.36Å; L304-E308 HydrophobicContact CD2-CG 4.02Å; L304-E308 PolarHBondContact O-N 3.16Å; L304-Y361 HydrophobicContact CD1-CD1 4.37Å; L304-Y361 HydrophobicContact CD1-CE1 4.49Å; L304-Y361 HydrophobicContact CD2-CE1 4.08Å; L304-V366 HydrophobicContact CD2-CB 4Å; L304-V366 HydrophobicContact CD2-CG1 4.1Å; L304-V366 HydrophobicContact CD2-CG2 3.92Å
305	L	98.3	Very high	96.1	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-60.1	-45.6	-179.6	-173.3	58.7	0	0	0	111.8	I263 F287 Y301 L302 T307 E308 A309 W319 W321 M344	I263-L305 HydrophobicContact CD1-CD2 4.42Å; I263-L305 HydrophobicContact CD1-CG 4.04Å; I263-L305 HydrophobicContact CG1-CG 4.49Å; I263-L305 HydrophobicContact CG2-CD2 3.67Å; I263-L305 HydrophobicContact CG2-CG 4.25Å; F287-L305 HydrophobicContact CZ-CD2 4.04Å; Y301-L305 WeakPolarHBondContact O-CB 3.36Å; Y301-L305 PolarHBondContact O-N 3.23Å; L302-L305 PolarHBondContact O-N 3.4Å; L305-T307 VanDerWaalsContact C-N 3.34Å; L305-T307 PolarHBondContact O-N 3.09Å; L305-E308 PolarHBondContact O-N 2.71Å; L305-A309 WeakPolarHBondContact O-CB 3.18Å; L305-A309 PolarHBondContact O-N 3.31Å; L305-W319 HydrophobicContact CD1-CE3 3.62Å; L305-W319 HydrophobicContact CD1-CZ3 3.62Å; L305-W319 HydrophobicContact CG-CE3 4.31Å; L305-W321 HydrophobicContact CD2-CB 4.36Å; L305-M344 HydrophobicContact CD1-CE 3.74Å
306	K	98	Very high	95.9	Very high	112 Å²	112	61.9 Å²	61.9	49%	0.487	30%	0.295	S	S	.	.	H	α-helix	trans	-57.8	-45.1	174.5	-74.4	172.5	-177.9	-178	0	112.2	I263 L302 L304 A309 D310	I263-K306 HydrophobicContact CB-CG 4.31Å; I263-K306 HydrophobicContact CG1-CB 4.42Å; I263-K306 HydrophobicContact CG1-CG 3.58Å; L302-K306 WeakPolarHBondContact O-CB 3.38Å; L302-K306 VanDerWaalsContact O-CG 3.24Å; L302-K306 WeakPolarHBondContact O-CG 3.41Å; L302-K306 PolarHBondContact O-N 2.99Å; L304-K306 PolarHBondContact O-N 3.23Å; K306-A309 PolarHBondContact O-N 3.36Å; K306-D310 PolarHBondContact O-N 3.25Å
307	T	97.7	Very high	96	Very high	73 Å²	73	57.2 Å²	57.2	45%	0.448	27%	0.269	S	S	.	.	H	α-helix	trans	-63.3	-45.1	-179.8	-59.6	0	0	0	0	111.4	N303 L304 L305 K311	N303-T307 WeakPolarHBondContact O-CB 3.28Å; N303-T307 PolarHBondContact O-N 3.44Å; N303-T307 PolarHBondContact O-OG1 2.98Å; L304-T307 WeakPolarHBondContact O-CB 3.33Å; L304-T307 PolarHBondContact O-N 3.36Å; L305-T307 VanDerWaalsContact C-N 3.34Å; L305-T307 PolarHBondContact O-N 3.09Å; T307-K311 WeakPolarHBondContact O-CG 3.3Å; T307-K311 PolarHBondContact O-N 3.48Å
308	E	97.7	Very high	96.1	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-71.1	-39.2	177.7	-65.2	-55	137.2	0	0	111.6	L304 L305 D310 K311 F312 S363 V366 H367 L370	L304-E308 HydrophobicContact CD2-CG 4.02Å; L304-E308 PolarHBondContact O-N 3.16Å; L305-E308 PolarHBondContact O-N 2.71Å; E308-D310 VanDerWaalsContact C-N 3.32Å; E308-D310 PolarHBondContact O-N 3.07Å; E308-K311 WeakPolarHBondContact O-CB 3.27Å; E308-K311 PolarHBondContact O-N 2.8Å; E308-K311 VanDerWaalsContact O-N 3.11Å; E308-K311 IonicContact OE1-NZ 2.83Å; E308-K311 PolarHBondContact OE1-NZ 3.36Å; E308-K311 WeakPolarHBondContact OE2-CD 3.47Å; E308-K311 IonicContact OE2-NZ 4Å; E308-F312 VanDerWaalsContact O-CD2 3.27Å; E308-F312 WeakPolarHBondContact O-CD2 3.39Å; E308-F312 PolarHBondContact O-N 2.8Å; E308-F312 VanDerWaalsContact O-N 3.11Å; E308-S363 PolarHBondContact OE1-OG 3.13Å; E308-V366 HydrophobicContact CB-CG1 4.12Å; E308-V366 HydrophobicContact CG-CB 4.48Å; E308-V366 HydrophobicContact CG-CG1 3.9Å; E308-H367 WeakPolarHBondContact OE2-CB 2.8Å; E308-H367 IonicContact OE2-CE1 2.7Å; E308-H367 IonicContact OE2-CG 2.75Å; E308-H367 IonicContact OE2-ND1 3.86Å; E308-H367 PolarHBondContact OE2-ND1 3.33Å; E308-L370 HydrophobicContact CB-CD1 3.78Å
309	A	97.1	Very high	96.1	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-61.8	-38	178.6	0	0	0	0	0	112.9	P261 I263 L305 K306 F312 K313 W319	P261-A309 HydrophobicContact CG-CB 3.53Å; P261-A309 WeakPolarHBondContact CG-O 3.39Å; I263-A309 HydrophobicContact CD1-CB 3.69Å; L305-A309 WeakPolarHBondContact O-CB 3.18Å; L305-A309 PolarHBondContact O-N 3.31Å; K306-A309 PolarHBondContact O-N 3.36Å; A309-F312 CarbonylContact O-C 3.58Å; A309-F312 PolarHBondContact O-N 3.42Å; A309-K313 PolarHBondContact O-N 2.78Å; A309-W319 HydrophobicContact CB-CD2 3.56Å; A309-W319 VanDerWaalsContact CB-CE2 3.5Å; A309-W319 HydrophobicContact CB-CE3 3.79Å; A309-W319 HydrophobicContact CB-CG 4.14Å; A309-W319 HydrophobicContact CB-CH2 3.9Å; A309-W319 HydrophobicContact CB-CZ2 3.69Å; A309-W319 HydrophobicContact CB-CZ3 3.95Å
310	D	94.9	Very high	96.2	Very high	66 Å²	66	51.9 Å²	51.9	35%	0.353	24%	0.242	S	C	.	.	H	α-helix	trans	-63.4	-42.1	172.7	-177.7	49.6	0	0	0	112.2	A260 K306 E308 F312 K313	A260-D310 HydrophobicContact CB-CB 4.07Å; K306-D310 PolarHBondContact O-N 3.25Å; E308-D310 VanDerWaalsContact C-N 3.32Å; E308-D310 PolarHBondContact O-N 3.07Å; D310-F312 PolarHBondContact O-N 2.67Å; D310-K313 WeakPolarHBondContact O-CB 3.37Å; D310-K313 WeakPolarHBondContact O-CD 3.19Å; D310-K313 VanDerWaalsContact O-CG 3.24Å; D310-K313 WeakPolarHBondContact O-CG 3.31Å; D310-K313 PolarHBondContact O-N 3.02Å; D310-K313 WeakPolarHBondContact OD1-CD 3.42Å; D310-K313 IonicContact OD1-NZ 2.82Å; D310-K313 PolarHBondContact OD1-NZ 3.3Å
311	K	95	Very high	96.2	Very high	110 Å²	110	45.2 Å²	45.2	48%	0.478	21%	0.212	S	C	.	.	H	α-helix	trans	-60.6	-31.3	175.3	-66.7	171.5	-172.4	171.5	0	112.6	T307 E308	T307-K311 WeakPolarHBondContact O-CG 3.3Å; T307-K311 PolarHBondContact O-N 3.48Å; E308-K311 WeakPolarHBondContact O-CB 3.27Å; E308-K311 PolarHBondContact O-N 2.8Å; E308-K311 VanDerWaalsContact O-N 3.11Å; E308-K311 IonicContact OE1-NZ 2.83Å; E308-K311 PolarHBondContact OE1-NZ 3.36Å; E308-K311 WeakPolarHBondContact OE2-CD 3.47Å; E308-K311 IonicContact OE2-NZ 4Å
312	F	94.8	Very high	96.2	Very high	16 Å²	16	42.4 Å²	42.4	7%	0.07	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103	11.8	-178.4	-71.2	-80.7	0	0	0	114.2	E308 A309 D310 K314 Q315 W317 W319 H367 L370 R371	E308-F312 VanDerWaalsContact O-CD2 3.27Å; E308-F312 WeakPolarHBondContact O-CD2 3.39Å; E308-F312 PolarHBondContact O-N 2.8Å; E308-F312 VanDerWaalsContact O-N 3.11Å; A309-F312 CarbonylContact O-C 3.58Å; A309-F312 PolarHBondContact O-N 3.42Å; D310-F312 PolarHBondContact O-N 2.67Å; F312-K314 PolarHBondContact O-N 3.13Å; F312-Q315 HydrophobicContact CB-CG 4.38Å; F312-Q315 HydrophobicContact CD1-CG 4.31Å; F312-Q315 VanDerWaalsContact O-CB 3.3Å; F312-Q315 WeakPolarHBondContact O-CB 3.45Å; F312-Q315 WeakPolarHBondContact O-CG 3.46Å; F312-Q315 PolarHBondContact O-N 3.45Å; F312-W317 HydrophobicContact CB-CE3 4.39Å; F312-W317 HydrophobicContact CB-CZ3 4.02Å; F312-W317 HydrophobicContact CD1-CH2 4.19Å; F312-W317 HydrophobicContact CD1-CZ3 4.18Å; F312-W317 HydrophobicContact CG-CZ3 4.13Å; F312-W319 HydrophobicContact CB-CZ2 4.23Å; F312-H367 AromaticContact CE2-CE1 3.91Å; F312-H367 AromaticContact CE2-ND1 3.67Å; F312-H367 AromaticContact CZ-CE1 3.89Å; F312-L370 HydrophobicContact CD1-CB 4.28Å; F312-L370 HydrophobicContact CD2-CB 3.7Å; F312-L370 HydrophobicContact CD2-CD1 3.73Å; F312-L370 HydrophobicContact CD2-CG 4.37Å; F312-L370 HydrophobicContact CE1-CB 4.04Å; F312-L370 HydrophobicContact CE2-CB 3.43Å; F312-L370 VanDerWaalsContact CE2-CB 3.43Å; F312-L370 HydrophobicContact CE2-CD1 3.9Å; F312-L370 HydrophobicContact CE2-CG 4.35Å; F312-L370 HydrophobicContact CG-CB 4.14Å; F312-L370 HydrophobicContact CZ-CB 3.61Å; F312-R371 HydrophobicContact CE1-CB 4.39Å; F312-R371 HydrophobicContact CZ-CB 4.09Å
313	K	92	Very high	96.1	Very high	45 Å²	45	43 Å²	43	20%	0.196	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-55.6	-29.3	-175.9	68.7	-171.6	174.4	-176.2	0	115.2	A256 A258 A309 D310 Q315 K316	A256-K313 WeakPolarHBondContact O-CE 3.38Å; A256-K313 PolarHBondContact O-NZ 2.85Å; A256-K313 VanDerWaalsContact O-NZ 3.13Å; A258-K313 HydrophobicContact CB-CD 4.43Å; A258-K313 WeakPolarHBondContact O-CD 3.34Å; A258-K313 WeakPolarHBondContact O-CE 3.37Å; A258-K313 PolarHBondContact O-NZ 3.07Å; A309-K313 PolarHBondContact O-N 2.78Å; D310-K313 WeakPolarHBondContact O-CB 3.37Å; D310-K313 WeakPolarHBondContact O-CD 3.19Å; D310-K313 VanDerWaalsContact O-CG 3.24Å; D310-K313 WeakPolarHBondContact O-CG 3.31Å; D310-K313 PolarHBondContact O-N 3.02Å; D310-K313 WeakPolarHBondContact OD1-CD 3.42Å; D310-K313 IonicContact OD1-NZ 2.82Å; D310-K313 PolarHBondContact OD1-NZ 3.3Å; K313-Q315 PolarHBondContact O-N 3.32Å; K313-Q315 VanDerWaalsContact O-N 3.13Å; K313-K316 PolarHBondContact O-N 2.83Å
314	K	89.5	Confident	95.9	Very high	106 Å²	106	38.8 Å²	38.8	46%	0.461	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-58.1	-26	174.9	-59.7	-161.7	174.3	-173.4	0	113.3	D255 F312 K316	D255-K314 HydrophobicContact CB-CD 4.06Å; D255-K314 HydrophobicContact CB-CG 4.04Å; F312-K314 PolarHBondContact O-N 3.13Å; K314-K316 PolarHBondContact O-N 3.03Å
315	Q	91.8	Very high	95.7	Very high	69 Å²	69	42 Å²	42	32%	0.322	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-77.4	-12.1	-179.3	-52.6	-56.2	-41.3	0	0	113	F312 K313 W317	F312-Q315 HydrophobicContact CB-CG 4.38Å; F312-Q315 HydrophobicContact CD1-CG 4.31Å; F312-Q315 VanDerWaalsContact O-CB 3.3Å; F312-Q315 WeakPolarHBondContact O-CB 3.45Å; F312-Q315 WeakPolarHBondContact O-CG 3.46Å; F312-Q315 PolarHBondContact O-N 3.45Å; K313-Q315 PolarHBondContact O-N 3.32Å; K313-Q315 VanDerWaalsContact O-N 3.13Å; Q315-W317 HydrophobicContact CB-CD2 3.66Å; Q315-W317 HydrophobicContact CB-CE3 4.28Å; Q315-W317 HydrophobicContact CB-CG 3.94Å; Q315-W317 HydrophobicContact CB-CH2 4.28Å; Q315-W317 HydrophobicContact CB-CZ2 3.69Å; Q315-W317 HydrophobicContact CG-CD2 4.38Å; Q315-W317 HydrophobicContact CG-CH2 3.96Å; Q315-W317 HydrophobicContact CG-CZ2 3.66Å; Q315-W317 HydrophobicContact CG-CZ3 4.43Å; Q315-W317 VanDerWaalsContact O-CD1 3.24Å; Q315-W317 PolarHBondContact O-N 2.95Å
316	K	92.3	Very high	95.4	Very high	121 Å²	121	44.9 Å²	44.9	53%	0.526	21%	0.211	S	C	.	.			trans	51.7	36.9	179.2	-57.8	-179	-179.1	179.8	0	112.8	H279 P280 K313 K314	H279-K316 PolarHBondContact ND1-O 2.83Å; P280-K316 WeakPolarHBondContact CD-O 2.88Å; K313-K316 PolarHBondContact O-N 2.83Å; K314-K316 PolarHBondContact O-N 3.03Å
317	W	96.9	Very high	95.2	Very high	11 Å²	11	40 Å²	40	4%	0.042	19%	0.19	C	C	.	.			trans	-73.3	151.4	175.7	-61	-21.4	0	0	0	111.4	L281 I283 F312 Q315 W319 L370 L373	L281-W317 HydrophobicContact CB-CD2 4.41Å; L281-W317 HydrophobicContact CB-CG 3.98Å; L281-W317 HydrophobicContact CD1-CZ2 4.02Å; L281-W317 WeakPolarHBondContact O-CA 3.19Å; L281-W317 WeakPolarHBondContact O-CB 3.24Å; I283-W317 HydrophobicContact CD1-CD2 4.23Å; I283-W317 HydrophobicContact CD1-CE3 3.91Å; I283-W317 HydrophobicContact CD1-CZ3 4.47Å; I283-W317 HydrophobicContact CG1-CB 4.13Å; I283-W317 HydrophobicContact CG1-CD2 4.26Å; I283-W317 HydrophobicContact CG1-CE3 3.82Å; I283-W317 HydrophobicContact CG1-CG 4.44Å; F312-W317 HydrophobicContact CB-CE3 4.39Å; F312-W317 HydrophobicContact CB-CZ3 4.02Å; F312-W317 HydrophobicContact CD1-CH2 4.19Å; F312-W317 HydrophobicContact CD1-CZ3 4.18Å; F312-W317 HydrophobicContact CG-CZ3 4.13Å; Q315-W317 HydrophobicContact CB-CD2 3.66Å; Q315-W317 HydrophobicContact CB-CE3 4.28Å; Q315-W317 HydrophobicContact CB-CG 3.94Å; Q315-W317 HydrophobicContact CB-CH2 4.28Å; Q315-W317 HydrophobicContact CB-CZ2 3.69Å; Q315-W317 HydrophobicContact CG-CD2 4.38Å; Q315-W317 HydrophobicContact CG-CH2 3.96Å; Q315-W317 HydrophobicContact CG-CZ2 3.66Å; Q315-W317 HydrophobicContact CG-CZ3 4.43Å; Q315-W317 VanDerWaalsContact O-CD1 3.24Å; Q315-W317 PolarHBondContact O-N 2.95Å; W317-W319 HydrophobicContact CE3-CH2 4.07Å; W317-W319 AromaticContact CE3-CZ2 3.66Å; W317-W319 HydrophobicContact CE3-CZ2 3.66Å; W317-W319 HydrophobicContact CZ3-CH2 4.45Å; W317-W319 HydrophobicContact CZ3-CZ2 4.35Å; W317-W319 PolarHBondContact O-NE1 2.98Å; W317-L370 HydrophobicContact CE3-CD2 4.24Å; W317-L370 HydrophobicContact CH2-CB 4.47Å; W317-L370 WeakPolarHBondContact CH2-O 3.25Å; W317-L370 HydrophobicContact CZ3-CB 4.04Å; W317-L370 HydrophobicContact CZ3-CD2 3.68Å; W317-L370 HydrophobicContact CZ3-CG 4.38Å; W317-L373 HydrophobicContact CH2-CB 3.78Å; W317-L373 HydrophobicContact CZ2-CB 3.95Å
318	G	97.2	Very high	95	Very high	3 Å²	3	39.1 Å²	39.1	3%	0.031	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	138.3	167.9	0	0	0	0	0	109.5	H279 L281 I283	H279-G318 VanDerWaalsContact CB-N 3.31Å; H279-G318 VanDerWaalsContact CG-N 3.3Å; L281-G318 PolarHBondContact O-N 2.99Å; I283-G318 PolarHBondContact N-O 2.68Å
319	W	98.5	Very high	94.7	Very high	7 Å²	7	43.1 Å²	43.1	3%	0.027	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	113.7	-175	-62.4	83.4	0	0	0	110.7	P261 I263 V264 I283 L305 A309 F312 W317 L370	P261-W319 HydrophobicContact CB-CG 4.45Å; I263-W319 HydrophobicContact CD1-CB 3.39Å; I263-W319 HydrophobicContact CD1-CD2 4.15Å; I263-W319 HydrophobicContact CD1-CE3 4.29Å; I263-W319 HydrophobicContact CD1-CG 3.79Å; V264-W319 PolarHBondContact N-O 2.82Å; V264-W319 VanDerWaalsContact N-O 3.15Å; I283-W319 HydrophobicContact CB-CD2 4.14Å; I283-W319 HydrophobicContact CB-CE3 3.7Å; I283-W319 HydrophobicContact CB-CZ3 3.94Å; I283-W319 HydrophobicContact CG1-CD2 4.27Å; I283-W319 HydrophobicContact CG1-CE3 4.1Å; I283-W319 HydrophobicContact CG1-CH2 4.16Å; I283-W319 HydrophobicContact CG1-CZ2 4.31Å; I283-W319 HydrophobicContact CG1-CZ3 4.05Å; I283-W319 HydrophobicContact CG2-CE3 3.76Å; I283-W319 HydrophobicContact CG2-CH2 4.46Å; I283-W319 HydrophobicContact CG2-CZ3 3.65Å; L305-W319 HydrophobicContact CD1-CE3 3.62Å; L305-W319 HydrophobicContact CD1-CZ3 3.62Å; L305-W319 HydrophobicContact CG-CE3 4.31Å; A309-W319 HydrophobicContact CB-CD2 3.56Å; A309-W319 VanDerWaalsContact CB-CE2 3.5Å; A309-W319 HydrophobicContact CB-CE3 3.79Å; A309-W319 HydrophobicContact CB-CG 4.14Å; A309-W319 HydrophobicContact CB-CH2 3.9Å; A309-W319 HydrophobicContact CB-CZ2 3.69Å; A309-W319 HydrophobicContact CB-CZ3 3.95Å; F312-W319 HydrophobicContact CB-CZ2 4.23Å; W317-W319 HydrophobicContact CE3-CH2 4.07Å; W317-W319 AromaticContact CE3-CZ2 3.66Å; W317-W319 HydrophobicContact CE3-CZ2 3.66Å; W317-W319 HydrophobicContact CZ3-CH2 4.45Å; W317-W319 HydrophobicContact CZ3-CZ2 4.35Å; W317-W319 PolarHBondContact O-NE1 2.98Å; W319-L370 HydrophobicContact CH2-CD1 3.69Å; W319-L370 HydrophobicContact CH2-CD2 3.75Å; W319-L370 HydrophobicContact CH2-CG 4.36Å; W319-L370 HydrophobicContact CZ3-CD1 4.16Å; W319-L370 HydrophobicContact CZ3-CD2 4.13Å
320	I	98.4	Very high	94.6	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	155	176.7	60	174.9	0	0	0	111.1	V264 L266 I271 L272 A275 I283 I284 S285	V264-I320 HydrophobicContact CB-CG2 4.41Å; V264-I320 CarbonylContact O-C 3.54Å; V264-I320 VanDerWaalsContact O-CA 3.23Å; V264-I320 WeakPolarHBondContact O-CA 3.43Å; L266-I320 HydrophobicContact CD1-CD1 4.42Å; L266-I320 HydrophobicContact CD2-CD1 4.38Å; I271-I320 HydrophobicContact CG2-CG2 3.85Å; L272-I320 HydrophobicContact CD1-CD1 3.64Å; A275-I320 HydrophobicContact CB-CD1 4.41Å; A275-I320 HydrophobicContact CB-CG2 3.46Å; A275-I320 VanDerWaalsContact CB-CG2 3.46Å; I283-I320 PolarHBondContact O-N 2.84Å; I284-I320 WeakPolarHBondContact CA-O 3.35Å; I284-I320 HydrophobicContact CB-CG1 4.24Å; I284-I320 HydrophobicContact CD1-CD1 4.1Å; I284-I320 HydrophobicContact CG1-CD1 3.86Å; I284-I320 HydrophobicContact CG1-CG1 3.78Å; I284-I320 HydrophobicContact CG2-CD1 4.38Å; I284-I320 HydrophobicContact CG2-CG1 4.21Å; S285-I320 PolarHBondContact N-O 3.38Å
321	W	98.2	Very high	94.6	Very high	11 Å²	11	40.2 Å²	40.2	4%	0.042	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	157.4	172.2	71.8	-79.1	0	0	0	111.1	I263 V264 E265 L266 S285 F287 L302 L305 W397	I263-W321 HydrophobicContact CG2-CG 4.45Å; V264-W321 VanDerWaalsContact C-CD1 3.5Å; V264-W321 PolarHBondContact O-N 3.3Å; E265-W321 CarbonylContact C-O 3.44Å; E265-W321 WeakPolarHBondContact CA-O 3.39Å; E265-W321 HydrophobicContact CB-CD2 4.4Å; E265-W321 HydrophobicContact CB-CH2 4.31Å; E265-W321 HydrophobicContact CB-CZ2 3.55Å; E265-W321 HydrophobicContact CG-CD2 4.34Å; E265-W321 HydrophobicContact CG-CH2 3.82Å; E265-W321 HydrophobicContact CG-CZ2 3.58Å; E265-W321 HydrophobicContact CG-CZ3 4.29Å; L266-W321 PolarHBondContact N-O 2.98Å; S285-W321 CarbonylContact O-C 3.48Å; S285-W321 WeakPolarHBondContact O-CA 3.47Å; S285-W321 WeakPolarHBondContact O-CB 3.34Å; F287-W321 HydrophobicContact CD2-CB 4.31Å; F287-W321 HydrophobicContact CD2-CD2 4.1Å; F287-W321 AromaticContact CD2-CE3 3.53Å; F287-W321 HydrophobicContact CD2-CE3 3.53Å; F287-W321 HydrophobicContact CD2-CG 4.45Å; F287-W321 HydrophobicContact CD2-CZ3 4.23Å; F287-W321 HydrophobicContact CE2-CB 3.8Å; F287-W321 HydrophobicContact CE2-CD2 4.02Å; F287-W321 AromaticContact CE2-CE3 3.94Å; F287-W321 HydrophobicContact CE2-CE3 3.94Å; F287-W321 AromaticContact CE2-CG 3.99Å; F287-W321 HydrophobicContact CE2-CG 3.99Å; F287-W321 HydrophobicContact CZ-CB 4.28Å; L302-W321 HydrophobicContact CD1-CZ2 4.46Å; L302-W321 HydrophobicContact CD2-CD2 3.9Å; L302-W321 HydrophobicContact CD2-CG 3.91Å; L302-W321 HydrophobicContact CD2-CZ2 4.36Å; L305-W321 HydrophobicContact CD2-CB 4.36Å; W321-W397 HydrophobicContact CH2-CB 4.07Å; W321-W397 HydrophobicContact CH2-CD2 4.45Å; W321-W397 AromaticContact CH2-CE3 3.97Å; W321-W397 HydrophobicContact CH2-CE3 3.97Å; W321-W397 HydrophobicContact CZ2-CE3 4.29Å
322	T	97.3	Very high	94.5	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	164.9	171.5	-163.6	0	0	0	0	111.3	S285 V286 F287 H327	S285-T322 PolarHBondContact O-N 3.41Å; V286-T322 CarbonylContact C-O 3.22Å; V286-T322 WeakPolarHBondContact CA-O 3.49Å; V286-T322 HydrophobicContact CB-CG2 4.48Å; V286-T322 HydrophobicContact CG1-CG2 4.15Å; V286-T322 HydrophobicContact CG2-CG2 4.01Å; F287-T322 PolarHBondContact N-O 2.96Å; T322-H327 PolarHBondContact OG1-CD2 2.8Å
323	E	95.8	Very high	94.4	Very high	28 Å²	28	42 Å²	42	13%	0.131	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	140.9	171.1	-179.7	168.9	154.3	0	0	110	M289 L290 R298 L325 K326	M289-E323 WeakPolarHBondContact CA-OE1 3.23Å; L290-E323 PolarHBondContact N-OE1 3.15Å; R298-E323 IonicContact CZ-OE2 2.98Å; R298-E323 IonicContact NH1-OE2 3.55Å; R298-E323 PolarHBondContact NH1-OE2 2.84Å; R298-E323 IonicContact NH2-OE1 3.16Å; R298-E323 IonicContact NH2-OE2 2.65Å; R298-E323 PolarHBondContact NH2-OE2 3.26Å; E323-L325 PolarHBondContact O-N 2.95Å; E323-K326 HydrophobicContact CB-CB 4.2Å; E323-K326 HydrophobicContact CB-CD 4.04Å; E323-K326 WeakPolarHBondContact O-CB 2.98Å; E323-K326 PolarHBondContact O-N 2.9Å; E323-K326 VanDerWaalsContact O-N 3.16Å
324	A	95.3	Very high	94.5	Very high	3 Å²	3	39.9 Å²	39.9	3%	0.025	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.5	136.8	173.7	0	0	0	0	0	111.4	V286 F287 M289 K326 Y341	V286-A324 HydrophobicContact CG1-CB 4.2Å; F287-A324 WeakPolarHBondContact O-CB 3.44Å; F287-A324 PolarHBondContact O-N 3.42Å; M289-A324 HydrophobicContact CG-CB 4.14Å; A324-K326 PolarHBondContact O-N 3.43Å; A324-K326 VanDerWaalsContact O-N 3.1Å; A324-Y341 HydrophobicContact CB-CD1 3.67Å; A324-Y341 HydrophobicContact CB-CD2 3.69Å; A324-Y341 HydrophobicContact CB-CE1 3.56Å; A324-Y341 HydrophobicContact CB-CE2 3.62Å; A324-Y341 HydrophobicContact CB-CG 3.72Å
325	L	92.6	Very high	94.6	Very high	100 Å²	100	39.9 Å²	39.9	52%	0.524	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.9	1.4	179.2	-48.4	177.7	0	0	0	115	M289 E323 S328 E331	M289-L325 HydrophobicContact SD-CD1 3.93Å; E323-L325 PolarHBondContact O-N 2.95Å; L325-S328 PolarHBondContact O-OG 2.85Å; L325-E331 WeakPolarHBondContact CA-OE1 3.23Å; L325-E331 PolarHBondContact N-OE1 2.84Å
326	K	93.1	Very high	94.5	Very high	59 Å²	59	37.3 Å²	37.3	26%	0.257	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-30.2	176.4	-159.9	165.1	-177.8	-174	0	111.7	E265 E323 A324 V394 E395	E265-K326 IonicContact OE1-NZ 3.49Å; E265-K326 PolarHBondContact OE1-NZ 3.11Å; E323-K326 HydrophobicContact CB-CB 4.2Å; E323-K326 HydrophobicContact CB-CD 4.04Å; E323-K326 WeakPolarHBondContact O-CB 2.98Å; E323-K326 PolarHBondContact O-N 2.9Å; E323-K326 VanDerWaalsContact O-N 3.16Å; A324-K326 PolarHBondContact O-N 3.43Å; A324-K326 VanDerWaalsContact O-N 3.1Å; K326-V394 HydrophobicContact CD-CG2 4.2Å; K326-V394 VanDerWaalsContact CE-CG2 3.48Å; K326-V394 HydrophobicContact CG-CB 4.44Å; K326-V394 HydrophobicContact CG-CG1 4.2Å; K326-V394 HydrophobicContact CG-CG2 4.25Å; K326-E395 PolarHBondContact NZ-O 3.36Å
327	H	94.5	Very high	93.8	Very high	10 Å²	10	33 Å²	33	5%	0.046	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.7	63.4	175.9	-61.7	-63.4	0	0	0	111.6	L266 T322 D329 L330 E331 K392	L266-H327 PolarHBondContact O-NE2 2.83Å; T322-H327 PolarHBondContact OG1-CD2 2.8Å; H327-D329 PolarHBondContact O-N 2.93Å; H327-D329 VanDerWaalsContact O-N 3.13Å; H327-L330 HydrophobicContact CB-CB 4.04Å; H327-L330 WeakPolarHBondContact O-CB 3.26Å; H327-L330 PolarHBondContact O-N 3.34Å; H327-E331 PolarHBondContact O-N 3.39Å; H327-E331 VanDerWaalsContact O-N 3.09Å; H327-K392 PolarHBondContact CE1-O 2.99Å; H327-K392 VanDerWaalsContact CE1-O 3.3Å
328	S	91.7	Very high	93	Very high	55 Å²	55	36.5 Å²	36.5	39%	0.385	22%	0.223	S	C	.	.	H	α-helix	trans	-54.2	-35.5	-174.2	-42.8	0	0	0	0	114.3	L325 L330 E331 N332	L325-S328 PolarHBondContact O-OG 2.85Å; S328-L330 PolarHBondContact O-N 3.07Å; S328-E331 PolarHBondContact O-N 3.49Å; S328-N332 WeakPolarHBondContact O-CB 3.25Å; S328-N332 PolarHBondContact O-N 3.47Å; S328-N332 PolarHBondContact O-ND2 3.23Å; S328-N332 VanDerWaalsContact O-ND2 3.14Å
329	D	92.7	Very high	92.2	Very high	84 Å²	84	41.2 Å²	41.2	45%	0.449	26%	0.255	S	S	.	.	H	α-helix	trans	-64.9	-40	178.1	-65.2	-34.1	0	0	0	111.7	H327 V333 P389	H327-D329 PolarHBondContact O-N 2.93Å; H327-D329 VanDerWaalsContact O-N 3.13Å; D329-V333 WeakPolarHBondContact O-CB 3.48Å; D329-V333 VanDerWaalsContact O-CG2 3.28Å; D329-V333 WeakPolarHBondContact O-CG2 3.44Å; D329-V333 PolarHBondContact O-N 3.39Å; D329-P389 HydrophobicContact CB-CB 4.08Å; D329-P389 HydrophobicContact CB-CG 4.25Å
330	L	94.3	Very high	91.9	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.01	27%	0.269	C	S	.	.	H	α-helix	trans	-65.4	-45	174.6	-178.5	68.9	0	0	0	110.8	L266 L272 H327 S328 V333 L334 L388 P389 I391	L266-L330 HydrophobicContact CD2-CD2 3.44Å; L266-L330 VanDerWaalsContact CD2-CD2 3.44Å; L272-L330 HydrophobicContact CD2-CD1 4.37Å; H327-L330 HydrophobicContact CB-CB 4.04Å; H327-L330 WeakPolarHBondContact O-CB 3.26Å; H327-L330 PolarHBondContact O-N 3.34Å; S328-L330 PolarHBondContact O-N 3.07Å; L330-V333 PolarHBondContact O-N 3.32Å; L330-L334 HydrophobicContact CD1-CD1 3.76Å; L330-L334 HydrophobicContact CD1-CG 4.15Å; L330-L334 HydrophobicContact CG-CD1 3.9Å; L330-L334 HydrophobicContact CG-CG 4.46Å; L330-L334 WeakPolarHBondContact O-CB 3.48Å; L330-L334 VanDerWaalsContact O-CG 3.32Å; L330-L334 WeakPolarHBondContact O-CG 3.47Å; L330-L334 PolarHBondContact O-N 3.27Å; L330-L388 HydrophobicContact CD1-CD2 4.16Å; L330-P389 VanDerWaalsContact CA-CG 3.49Å; L330-P389 HydrophobicContact CB-CG 4.01Å; L330-P389 HydrophobicContact CD1-CG 4.11Å; L330-I391 HydrophobicContact CB-CD1 3.99Å; L330-I391 HydrophobicContact CD1-CD1 4.44Å; L330-I391 HydrophobicContact CD2-CD1 4.12Å; L330-I391 HydrophobicContact CG-CD1 4.42Å
331	E	94.5	Very high	91.7	Very high	4 Å²	4	45.7 Å²	45.7	2%	0.019	28%	0.282	C	S	.	.	H	α-helix	trans	-61.8	-44.2	178.6	-68.7	-177.5	-125.2	0	0	111.6	L325 H327 S328 V333 L334 D335 I336 Y341	L325-E331 WeakPolarHBondContact CA-OE1 3.23Å; L325-E331 PolarHBondContact N-OE1 2.84Å; H327-E331 PolarHBondContact O-N 3.39Å; H327-E331 VanDerWaalsContact O-N 3.09Å; S328-E331 PolarHBondContact O-N 3.49Å; E331-V333 PolarHBondContact O-N 3.3Å; E331-L334 CarbonylContact O-C 3.59Å; E331-L334 PolarHBondContact O-N 3.39Å; E331-D335 PolarHBondContact O-N 2.98Å; E331-I336 HydrophobicContact CB-CB 3.98Å; E331-I336 HydrophobicContact CB-CG2 4.44Å; E331-I336 HydrophobicContact CG-CB 4.17Å; E331-I336 HydrophobicContact CG-CG2 4.21Å; E331-I336 PolarHBondContact O-N 3.03Å; E331-Y341 VanDerWaalsContact OE2-CE1 3.25Å; E331-Y341 WeakPolarHBondContact OE2-CE1 3.46Å; E331-Y341 VanDerWaalsContact OE2-CZ 3.27Å; E331-Y341 PolarHBondContact OE2-OH 3.27Å
332	N	93.1	Very high	91.6	Very high	118 Å²	118	46.3 Å²	46.3	63%	0.631	29%	0.288	S	S	*	.	H	α-helix	trans	-60.6	-46.7	175.9	-71.6	-27.4	0	0	0	111.9	S328 L334 D335	S328-N332 WeakPolarHBondContact O-CB 3.25Å; S328-N332 PolarHBondContact O-N 3.47Å; S328-N332 PolarHBondContact O-ND2 3.23Å; S328-N332 VanDerWaalsContact O-ND2 3.14Å; N332-L334 VanDerWaalsContact C-N 3.29Å; N332-L334 PolarHBondContact O-N 2.89Å; N332-D335 PolarHBondContact O-N 3.31Å
333	V	92.8	Very high	91.6	Very high	46 Å²	46	46.6 Å²	46.6	28%	0.279	29%	0.29	S	S	.	.	H	α-helix	trans	-63.8	-36.2	178.7	165.9	0	0	0	0	111.8	D329 L330 E331 D335 V385 S387 P389	D329-V333 WeakPolarHBondContact O-CB 3.48Å; D329-V333 VanDerWaalsContact O-CG2 3.28Å; D329-V333 WeakPolarHBondContact O-CG2 3.44Å; D329-V333 PolarHBondContact O-N 3.39Å; L330-V333 PolarHBondContact O-N 3.32Å; E331-V333 PolarHBondContact O-N 3.3Å; V333-D335 VanDerWaalsContact C-N 3.32Å; V333-V385 HydrophobicContact CG1-CG1 3.69Å; V333-S387 WeakPolarHBondContact CG1-O 3.49Å; V333-P389 HydrophobicContact CB-CG 4.46Å; V333-P389 HydrophobicContact CG2-CB 4.43Å; V333-P389 HydrophobicContact CG2-CG 4.18Å
334	L	93.8	Very high	91.7	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-88.8	0.4	179.6	-63.2	-177.8	0	0	0	113.6	I284 L330 E331 N332 I336 V347 R354 V385 L388	I284-L334 HydrophobicContact CD1-CD1 3.69Å; L330-L334 HydrophobicContact CD1-CD1 3.76Å; L330-L334 HydrophobicContact CD1-CG 4.15Å; L330-L334 HydrophobicContact CG-CD1 3.9Å; L330-L334 HydrophobicContact CG-CG 4.46Å; L330-L334 WeakPolarHBondContact O-CB 3.48Å; L330-L334 VanDerWaalsContact O-CG 3.32Å; L330-L334 WeakPolarHBondContact O-CG 3.47Å; L330-L334 PolarHBondContact O-N 3.27Å; E331-L334 CarbonylContact O-C 3.59Å; E331-L334 PolarHBondContact O-N 3.39Å; N332-L334 VanDerWaalsContact C-N 3.29Å; N332-L334 PolarHBondContact O-N 2.89Å; L334-I336 VanDerWaalsContact C-N 3.3Å; L334-I336 HydrophobicContact CB-CD1 3.67Å; L334-I336 HydrophobicContact CB-CG1 3.78Å; L334-I336 HydrophobicContact CD1-CD1 4Å; L334-I336 HydrophobicContact CG-CD1 4.5Å; L334-I336 PolarHBondContact O-N 2.92Å; L334-V347 HydrophobicContact CD1-CG2 4.21Å; L334-V347 HydrophobicContact CD2-CG2 3.71Å; L334-R354 WeakPolarHBondContact O-CD 3.43Å; L334-R354 PolarHBondContact O-NE 2.98Å; L334-V385 HydrophobicContact CD2-CG1 4.35Å; L334-V385 HydrophobicContact CD2-CG2 4.17Å; L334-L388 HydrophobicContact CD2-CD2 4.37Å
335	D	92.2	Very high	91.8	Very high	105 Å²	105	45.2 Å²	45.2	56%	0.561	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	45.8	-178.2	-168.2	30.2	0	0	0	111.7	E331 N332 V333 R354	E331-D335 PolarHBondContact O-N 2.98Å; N332-D335 PolarHBondContact O-N 3.31Å; V333-D335 VanDerWaalsContact C-N 3.32Å; D335-R354 IonicContact OD2-NH2 2.67Å; D335-R354 PolarHBondContact OD2-NH2 3.12Å
336	I	90.4	Very high	92	Very high	16 Å²	16	40.6 Å²	40.6	8%	0.082	26%	0.26	C	S	.	.			trans	-95.3	138.4	177.3	-59.6	173.3	0	0	0	108.3	V286 E331 L334 Y341 A343 V345	V286-I336 HydrophobicContact CB-CG2 4.25Å; V286-I336 HydrophobicContact CG2-CD1 3.74Å; V286-I336 HydrophobicContact CG2-CG2 4.06Å; E331-I336 HydrophobicContact CB-CB 3.98Å; E331-I336 HydrophobicContact CB-CG2 4.44Å; E331-I336 HydrophobicContact CG-CB 4.17Å; E331-I336 HydrophobicContact CG-CG2 4.21Å; E331-I336 PolarHBondContact O-N 3.03Å; L334-I336 VanDerWaalsContact C-N 3.3Å; L334-I336 HydrophobicContact CB-CD1 3.67Å; L334-I336 HydrophobicContact CB-CG1 3.78Å; L334-I336 HydrophobicContact CD1-CD1 4Å; L334-I336 HydrophobicContact CG-CD1 4.5Å; L334-I336 PolarHBondContact O-N 2.92Å; I336-Y341 HydrophobicContact CG2-CE1 3.93Å; I336-A343 HydrophobicContact CG2-CB 3.85Å; I336-V345 HydrophobicContact CD1-CB 4.44Å; I336-V345 HydrophobicContact CD1-CG2 3.66Å; I336-V345 HydrophobicContact CG1-CG2 3.62Å
337	G	76.9	Confident	92.1	Very high	31 Å²	31	37.9 Å²	37.9	32%	0.32	25%	0.248	S	C	.	.	S	Bend	trans	122.2	-30.5	176.6	0	0	0	0	0	113.6	S339 G340	G337-S339 VanDerWaalsContact C-N 3.26Å; G337-S339 PolarHBondContact O-N 3.16Å; G337-G340 PolarHBondContact O-N 2.94Å; G337-G340 VanDerWaalsContact O-N 3.09Å
338	G	79.2	Confident	92.1	Very high	84 Å²	84	39.7 Å²	39.7	87%	0.866	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-29.3	-178.4	0	0	0	0	0	114.8
339	S	81.6	Confident	92.1	Very high	101 Å²	101	38.3 Å²	38.3	71%	0.706	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.4	1.3	177.5	57.6	0	0	0	0	114.2	G337	G337-S339 VanDerWaalsContact C-N 3.26Å; G337-S339 PolarHBondContact O-N 3.16Å
340	G	90.9	Very high	91.9	Very high	30 Å²	30	44.5 Å²	44.5	31%	0.309	27%	0.268	S	S	.	.			trans	77.2	-175.3	-170.4	0	0	0	0	0	114.3	G337	G337-G340 PolarHBondContact O-N 2.94Å; G337-G340 VanDerWaalsContact O-N 3.09Å
341	Y	95	Very high	91.8	Very high	72 Å²	72	51.3 Å²	51.3	28%	0.282	30%	0.297	S	S	.	.	S	Bend	trans	-115.6	151.5	-176.7	-54.4	-78.7	0	0	0	111.2	V286 A324 E331 I336	V286-Y341 HydrophobicContact CB-CD1 4.13Å; V286-Y341 HydrophobicContact CB-CE1 4.23Å; V286-Y341 HydrophobicContact CG1-CD1 3.66Å; V286-Y341 HydrophobicContact CG1-CE1 3.51Å; A324-Y341 HydrophobicContact CB-CD1 3.67Å; A324-Y341 HydrophobicContact CB-CD2 3.69Å; A324-Y341 HydrophobicContact CB-CE1 3.56Å; A324-Y341 HydrophobicContact CB-CE2 3.62Å; A324-Y341 HydrophobicContact CB-CG 3.72Å; E331-Y341 VanDerWaalsContact OE2-CE1 3.25Å; E331-Y341 WeakPolarHBondContact OE2-CE1 3.46Å; E331-Y341 VanDerWaalsContact OE2-CZ 3.27Å; E331-Y341 PolarHBondContact OE2-OH 3.27Å; I336-Y341 HydrophobicContact CG2-CE1 3.93Å
342	P	96.8	Very high	91.7	Very high	25 Å²	25	56.3 Å²	56.3	16%	0.162	32%	0.319	C	S	.	.	S	Bend	cis	-70	149.8	-3	31.5	-40.7	0	0	0	113.7	V286 F287 Y301 Y361	V286-P342 CarbonylContact O-C 3.5Å; V286-P342 WeakPolarHBondContact O-CA 3.46Å; F287-P342 HydrophobicContact CD1-CB 4.01Å; Y301-P342 HydrophobicContact CD1-CG 4.28Å; Y301-P342 HydrophobicContact CE1-CG 3.68Å; Y301-P342 HydrophobicContact CE2-CG 4.25Å; P342-Y361 HydrophobicContact CB-CD1 4.44Å; P342-Y361 HydrophobicContact CB-CD2 3.71Å; P342-Y361 HydrophobicContact CB-CE2 4.23Å; P342-Y361 HydrophobicContact CB-CG 3.85Å; P342-Y361 HydrophobicContact CG-CD1 4.17Å; P342-Y361 HydrophobicContact CG-CD2 3.94Å; P342-Y361 HydrophobicContact CG-CG 3.58Å
343	A	96.7	Very high	91.8	Very high	6 Å²	6	53.7 Å²	53.7	5%	0.05	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	153.9	176	0	0	0	0	0	110.8	S285 V286 I336	S285-A343 CarbonylContact C-O 3.5Å; S285-A343 WeakPolarHBondContact CA-O 3.41Å; V286-A343 PolarHBondContact N-O 2.75Å; V286-A343 PolarHBondContact O-N 3.41Å; I336-A343 HydrophobicContact CG2-CB 3.85Å
344	M	97.6	Very high	91.9	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.005	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	131.9	172.8	-179.1	178.5	-76.1	0	0	110.3	I283 I284 S285 L305 L357 Y361 V366 F369 L370	I283-M344 HydrophobicContact CG2-CE 4.13Å; I283-M344 HydrophobicContact CG2-CG 3.99Å; I283-M344 HydrophobicContact CG2-SD 3.89Å; I284-M344 WeakPolarHBondContact O-CA 3.42Å; S285-M344 WeakPolarHBondContact OG-CE 3.2Å; L305-M344 HydrophobicContact CD1-CE 3.74Å; M344-L357 HydrophobicContact CB-CB 3.84Å; M344-L357 HydrophobicContact CB-CD2 4Å; M344-L357 PolarHBondContact O-N 3.31Å; M344-Y361 HydrophobicContact CB-CD2 4.24Å; M344-Y361 HydrophobicContact CB-CE2 3.82Å; M344-Y361 HydrophobicContact CE-CE2 3.88Å; M344-Y361 WeakPolarHBondContact CE-OH 3.42Å; M344-V366 HydrophobicContact CE-CG1 3.65Å; M344-V366 HydrophobicContact CE-CG2 4.13Å; M344-V366 HydrophobicContact SD-CG1 4.11Å; M344-F369 HydrophobicContact CG-CD1 4.32Å; M344-F369 HydrophobicContact CG-CE1 3.97Å; M344-F369 HydrophobicContact SD-CD1 3.72Å; M344-F369 HydrophobicContact SD-CE1 3.9Å; M344-L370 HydrophobicContact SD-CD2 4.17Å
345	V	96.8	Very high	92	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	136.7	174.9	-178.4	0	0	0	0	109	I284 I336 V347 R354 T355 T356	I284-V345 PolarHBondContact N-O 2.91Å; I284-V345 PolarHBondContact O-N 3.04Å; I336-V345 HydrophobicContact CD1-CB 4.44Å; I336-V345 HydrophobicContact CD1-CG2 3.66Å; I336-V345 HydrophobicContact CG1-CG2 3.62Å; V345-V347 HydrophobicContact CG1-CG2 3.93Å; V345-R354 HydrophobicContact CG1-CB 3.94Å; V345-T355 WeakPolarHBondContact CA-O 3.1Å; V345-T355 WeakPolarHBondContact CG1-O 3.46Å; V345-T356 HydrophobicContact CG2-CG2 4.03Å
346	A	96.9	Very high	92.1	Very high	4 Å²	4	48.9 Å²	48.9	3%	0.033	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	124.5	167.4	0	0	0	0	0	109.1	C282 I283 R354 T355 F369 L373	C282-A346 CarbonylContact O-C 3.6Å; C282-A346 WeakPolarHBondContact O-CA 3.32Å; I283-A346 HydrophobicContact CD1-CB 3.7Å; A346-R354 CarbonylContact O-C 3.57Å; A346-R354 VanDerWaalsContact O-CA 3.24Å; A346-R354 WeakPolarHBondContact O-CA 3.38Å; A346-T355 HydrophobicContact CB-CG2 4.11Å; A346-T355 PolarHBondContact N-O 3.32Å; A346-T355 PolarHBondContact O-N 3.29Å; A346-F369 HydrophobicContact CB-CE1 4.27Å; A346-F369 HydrophobicContact CB-CZ 4.04Å; A346-L373 HydrophobicContact CB-CD1 3.46Å; A346-L373 VanDerWaalsContact CB-CD1 3.46Å; A346-L373 HydrophobicContact CB-CD2 4Å; A346-L373 HydrophobicContact CB-CG 4.41Å
347	V	96.4	Very high	92.3	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.012	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	132.2	-179.5	-177.9	0	0	0	0	109.6	L281 C282 I284 L334 V345 R354 L388	L281-V347 WeakPolarHBondContact CA-O 3.43Å; C282-V347 HydrophobicContact CB-CB 4.2Å; C282-V347 PolarHBondContact N-O 2.96Å; C282-V347 PolarHBondContact O-N 3.11Å; I284-V347 HydrophobicContact CD1-CG2 3.95Å; L334-V347 HydrophobicContact CD1-CG2 4.21Å; L334-V347 HydrophobicContact CD2-CG2 3.71Å; V345-V347 HydrophobicContact CG1-CG2 3.93Å; V347-R354 HydrophobicContact CG2-CB 4.33Å; V347-L388 HydrophobicContact CG1-CD2 4.4Å
348	H	94.5	Very high	93	Very high	47 Å²	47	55.7 Å²	55.7	22%	0.218	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	94.2	169.1	-170	-32.1	0	0	0	108.8	L281 R350 K351 K352 K353	L281-H348 HydrophobicContact CD2-CB 3.65Å; H348-R350 PolarHBondContact O-N 3.36Å; H348-K351 HydrophobicContact CB-CB 4.29Å; H348-K351 PolarHBondContact ND1-N 2.8Å; H348-K351 WeakPolarHBondContact NE2-CD 3.33Å; H348-K351 WeakPolarHBondContact NE2-CE 3.41Å; H348-K351 PolarHBondContact O-N 3.21Å; H348-K352 PolarHBondContact O-N 2.82Å; H348-K353 PolarHBondContact N-O 2.88Å; H348-K353 PolarHBondContact O-N 3.49Å
349	G	90.5	Very high	93.5	Very high	26 Å²	26	54.8 Å²	54.8	27%	0.268	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-49.8	-172.2	0	0	0	0	0	113.8	K352	G349-K352 PolarHBondContact O-N 3.15Å
350	R	90.1	Very high	94.1	Very high	214 Å²	214	53.2 Å²	53.2	81%	0.808	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-41.4	-179.7	-61.6	-176.7	-173.8	178.9	2.3	114.5	H348 K352	H348-R350 PolarHBondContact O-N 3.36Å; R350-K352 VanDerWaalsContact C-N 3.25Å
351	K	91.6	Very high	94.4	Very high	145 Å²	145	52.8 Å²	52.8	63%	0.63	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-7.1	178.2	-71.3	-175.1	-170.7	171.8	0	112.6	H348 K353	H348-K351 HydrophobicContact CB-CB 4.29Å; H348-K351 PolarHBondContact ND1-N 2.8Å; H348-K351 WeakPolarHBondContact NE2-CD 3.33Å; H348-K351 WeakPolarHBondContact NE2-CE 3.41Å; H348-K351 PolarHBondContact O-N 3.21Å; K351-K353 HydrophobicContact CB-CG 4.21Å; K351-K353 PolarHBondContact O-N 2.91Å
352	K	92.9	Very high	94.4	Very high	110 Å²	110	51.6 Å²	51.6	48%	0.478	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	40.1	-176.3	-67.6	-168.9	174.2	-163.3	0	112.5	H348 G349 R350 V385 S386	H348-K352 PolarHBondContact O-N 2.82Å; G349-K352 PolarHBondContact O-N 3.15Å; R350-K352 VanDerWaalsContact C-N 3.25Å; K352-V385 WeakPolarHBondContact CB-O 2.96Å; K352-V385 PolarHBondContact O-N 2.69Å; K352-S386 PolarHBondContact NZ-O 2.87Å
353	K	94.1	Very high	94.4	Very high	63 Å²	63	53.4 Å²	53.4	27%	0.274	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	149.4	177.8	-65.6	-60.3	-171.8	174.5	0	110.1	H348 K351 Y383 D384	H348-K353 PolarHBondContact N-O 2.88Å; H348-K353 PolarHBondContact O-N 3.49Å; K351-K353 HydrophobicContact CB-CG 4.21Å; K351-K353 PolarHBondContact O-N 2.91Å; K353-Y383 CarbonylContact C-O 3.53Å; K353-Y383 VanDerWaalsContact CA-O 3.27Å; K353-Y383 WeakPolarHBondContact CA-O 3.35Å; K353-D384 WeakPolarHBondContact CD-OD1 3.47Å; K353-D384 WeakPolarHBondContact CE-OD1 3.49Å; K353-D384 IonicContact NZ-OD1 2.65Å; K353-D384 PolarHBondContact NZ-OD1 3.21Å; K353-D384 IonicContact NZ-OD2 3.48Å; K353-D384 PolarHBondContact NZ-OD2 3.26Å
354	R	95.1	Very high	94.4	Very high	22 Å²	22	57.6 Å²	57.6	8%	0.083	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	158.3	168.6	65.3	171	175.3	85.4	-1	111.3	L334 D335 V345 A346 V347 L382 Y383 V385	L334-R354 WeakPolarHBondContact O-CD 3.43Å; L334-R354 PolarHBondContact O-NE 2.98Å; D335-R354 IonicContact OD2-NH2 2.67Å; D335-R354 PolarHBondContact OD2-NH2 3.12Å; V345-R354 HydrophobicContact CG1-CB 3.94Å; A346-R354 CarbonylContact O-C 3.57Å; A346-R354 VanDerWaalsContact O-CA 3.24Å; A346-R354 WeakPolarHBondContact O-CA 3.38Å; V347-R354 HydrophobicContact CG2-CB 4.33Å; R354-L382 WeakPolarHBondContact O-CA 3.03Å; R354-Y383 PolarHBondContact N-O 2.9Å; R354-Y383 PolarHBondContact O-N 3.07Å; R354-V385 HydrophobicContact CB-CG2 3.63Å; R354-V385 HydrophobicContact CG-CG2 3.56Å
355	T	95.1	Very high	94.4	Very high	3 Å²	3	58.4 Å²	58.4	2%	0.018	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	148.8	160.5	179.1	0	0	0	0	109.1	V345 A346 F369 L373 L380 P381 L382	V345-T355 WeakPolarHBondContact CA-O 3.1Å; V345-T355 WeakPolarHBondContact CG1-O 3.46Å; A346-T355 HydrophobicContact CB-CG2 4.11Å; A346-T355 PolarHBondContact N-O 3.32Å; A346-T355 PolarHBondContact O-N 3.29Å; T355-F369 HydrophobicContact CG2-CE2 4.01Å; T355-F369 HydrophobicContact CG2-CZ 4.02Å; T355-L373 HydrophobicContact CG2-CD2 3.58Å; T355-L380 HydrophobicContact CG2-CD1 4.22Å; T355-P381 WeakPolarHBondContact CB-O 3.31Å; T355-P381 PolarHBondContact OG1-O 3.37Å; T355-L382 HydrophobicContact CG2-CD2 4.47Å
356	T	95.1	Very high	94.5	Very high	24 Å²	24	58.4 Å²	58.4	15%	0.147	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	141.5	-175.6	-52.5	0	0	0	0	109.5	V345 R358	V345-T356 HydrophobicContact CG2-CG2 4.03Å; T356-R358 PolarHBondContact O-N 3.25Å
357	L	95.1	Very high	94.5	Very high	17 Å²	17	60.9 Å²	60.9	9%	0.089	32%	0.323	C	S	.	.			trans	-57.2	120.3	167.9	168.4	64.3	0	0	0	108.8	M344 Y361 G365 V366 F369	M344-L357 HydrophobicContact CB-CB 3.84Å; M344-L357 HydrophobicContact CB-CD2 4Å; M344-L357 PolarHBondContact O-N 3.31Å; L357-Y361 HydrophobicContact CD2-CD2 4.13Å; L357-G365 WeakPolarHBondContact CD1-O 3.01Å; L357-V366 HydrophobicContact CD2-CG2 4.14Å; L357-F369 HydrophobicContact CB-CD1 3.97Å; L357-F369 HydrophobicContact CB-CD2 4.4Å; L357-F369 HydrophobicContact CB-CE1 4.15Å; L357-F369 HydrophobicContact CB-CG 4.1Å; L357-F369 HydrophobicContact CB-CZ 4.44Å; L357-F369 HydrophobicContact CD1-CB 3.5Å; L357-F369 VanDerWaalsContact CD1-CB 3.5Å; L357-F369 HydrophobicContact CD1-CD1 4.32Å; L357-F369 HydrophobicContact CD1-CD2 4.42Å; L357-F369 HydrophobicContact CD1-CG 3.86Å
358	R	91.2	Very high	94.5	Very high	174 Å²	174	63.4 Å²	63.4	66%	0.657	34%	0.336	S	S	*	.			trans	-102.4	110.7	172.1	-66.9	-175.6	174.2	-161.1	-2	108.7	T356 Y383	T356-R358 PolarHBondContact O-N 3.25Å; R358-Y383 PolarHBondContact NH2-OH 3.5Å
359	G	90.6	Very high	94.6	Very high	65 Å²	65	61.4 Å²	61.4	67%	0.67	33%	0.327	S	S	*	.	S	Bend	trans	128.1	-167.7	-179.8	0	0	0	0	0	112.3
360	A	93.6	Very high	94.9	Very high	67 Å²	67	60.2 Å²	60.2	55%	0.554	31%	0.314	S	S	*	.			trans	-70.6	138.7	-177.7	0	0	0	0	0	111.7	S362	A360-S362 PolarHBondContact O-N 2.87Å
361	Y	96	Very high	95.1	Very high	21 Å²	21	55.2 Å²	55.2	8%	0.082	30%	0.295	C	S	.	.			trans	-75.1	70.3	165.6	-157	-68	0	0	0	109.5	S285 F287 Y301 L304 P342 M344 L357 V366	S285-Y361 WeakPolarHBondContact CB-OH 3.34Å; S285-Y361 PolarHBondContact OG-OH 3.08Å; F287-Y361 HydrophobicContact CE1-CE1 4.12Å; F287-Y361 HydrophobicContact CE1-CE2 4.22Å; F287-Y361 AromaticContact CE1-CZ 3.68Å; F287-Y361 WeakPolarHBondContact CE1-OH 3.45Å; Y301-Y361 AromaticContact CD1-CD1 3.86Å; Y301-Y361 HydrophobicContact CD1-CD1 3.86Å; Y301-Y361 HydrophobicContact CD1-CE1 4.12Å; Y301-Y361 HydrophobicContact CE1-CD1 4.18Å; L304-Y361 HydrophobicContact CD1-CD1 4.37Å; L304-Y361 HydrophobicContact CD1-CE1 4.49Å; L304-Y361 HydrophobicContact CD2-CE1 4.08Å; P342-Y361 HydrophobicContact CB-CD1 4.44Å; P342-Y361 HydrophobicContact CB-CD2 3.71Å; P342-Y361 HydrophobicContact CB-CE2 4.23Å; P342-Y361 HydrophobicContact CB-CG 3.85Å; P342-Y361 HydrophobicContact CG-CD1 4.17Å; P342-Y361 HydrophobicContact CG-CD2 3.94Å; P342-Y361 HydrophobicContact CG-CG 3.58Å; M344-Y361 HydrophobicContact CB-CD2 4.24Å; M344-Y361 HydrophobicContact CB-CE2 3.82Å; M344-Y361 HydrophobicContact CE-CE2 3.88Å; M344-Y361 WeakPolarHBondContact CE-OH 3.42Å; L357-Y361 HydrophobicContact CD2-CD2 4.13Å; Y361-V366 HydrophobicContact CD1-CG2 3.81Å; Y361-V366 HydrophobicContact CD2-CG2 4.38Å; Y361-V366 HydrophobicContact CE1-CG2 3.86Å; Y361-V366 HydrophobicContact CE2-CG2 4.46Å; Y361-V366 HydrophobicContact CG-CG2 4.05Å
362	S	96.2	Very high	95.3	Very high	48 Å²	48	51.8 Å²	51.8	34%	0.336	28%	0.282	S	S	.	.	S	Bend	trans	-116.9	168	176	69	0	0	0	0	109.7	A360 T364 G365 V366	A360-S362 PolarHBondContact O-N 2.87Å; S362-T364 PolarHBondContact O-N 3.47Å; S362-G365 PolarHBondContact O-N 3.25Å; S362-G365 PolarHBondContact OG-N 2.99Å; S362-G365 VanDerWaalsContact OG-N 3.14Å; S362-V366 WeakPolarHBondContact O-CB 3.27Å; S362-V366 WeakPolarHBondContact O-CG2 3.25Å; S362-V366 PolarHBondContact O-N 3.5Å
363	S	96	Very high	95.4	Very high	62 Å²	62	47.8 Å²	47.8	43%	0.434	27%	0.265	S	S	.	.	H	α-helix	trans	-54.8	-44.1	177.6	175.8	0	0	0	0	111.1	E308 H367	E308-S363 PolarHBondContact OE1-OG 3.13Å; S363-H367 WeakPolarHBondContact O-CB 3.36Å; S363-H367 PolarHBondContact O-N 3.47Å
364	T	97.3	Very high	95.4	Very high	94 Å²	94	46.6 Å²	46.6	58%	0.577	27%	0.265	S	S	*	.	H	α-helix	trans	-66.1	-48.2	176.4	-50.2	0	0	0	0	112.5	S362 H367 D368	S362-T364 PolarHBondContact O-N 3.47Å; T364-H367 PolarHBondContact O-N 3.33Å; T364-D368 WeakPolarHBondContact O-CB 3.37Å; T364-D368 PolarHBondContact O-N 3.04Å
365	G	97	Very high	95.1	Very high	18 Å²	18	50.7 Å²	50.7	19%	0.186	29%	0.293	C	S	.	.	H	α-helix	trans	-64.3	-44.5	-176.5	0	0	0	0	0	112.8	L357 S362 F369	L357-G365 WeakPolarHBondContact CD1-O 3.01Å; S362-G365 PolarHBondContact O-N 3.25Å; S362-G365 PolarHBondContact OG-N 2.99Å; S362-G365 VanDerWaalsContact OG-N 3.14Å; G365-F369 WeakPolarHBondContact O-CB 3.49Å; G365-F369 PolarHBondContact O-N 2.99Å; G365-F369 VanDerWaalsContact O-N 3.15Å
366	V	98.1	Very high	94	Very high	0 Å²	0	54 Å²	54	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-64.3	-47.5	174.6	173.8	0	0	0	0	110.4	L304 E308 M344 L357 Y361 S362 D368 F369 L370	L304-V366 HydrophobicContact CD2-CB 4Å; L304-V366 HydrophobicContact CD2-CG1 4.1Å; L304-V366 HydrophobicContact CD2-CG2 3.92Å; E308-V366 HydrophobicContact CB-CG1 4.12Å; E308-V366 HydrophobicContact CG-CB 4.48Å; E308-V366 HydrophobicContact CG-CG1 3.9Å; M344-V366 HydrophobicContact CE-CG1 3.65Å; M344-V366 HydrophobicContact CE-CG2 4.13Å; M344-V366 HydrophobicContact SD-CG1 4.11Å; L357-V366 HydrophobicContact CD2-CG2 4.14Å; Y361-V366 HydrophobicContact CD1-CG2 3.81Å; Y361-V366 HydrophobicContact CD2-CG2 4.38Å; Y361-V366 HydrophobicContact CE1-CG2 3.86Å; Y361-V366 HydrophobicContact CE2-CG2 4.46Å; Y361-V366 HydrophobicContact CG-CG2 4.05Å; S362-V366 WeakPolarHBondContact O-CB 3.27Å; S362-V366 WeakPolarHBondContact O-CG2 3.25Å; S362-V366 PolarHBondContact O-N 3.5Å; V366-D368 PolarHBondContact O-N 2.94Å; V366-F369 PolarHBondContact O-N 3.22Å; V366-L370 HydrophobicContact CG1-CD1 3.6Å; V366-L370 HydrophobicContact CG1-CG 4.18Å; V366-L370 VanDerWaalsContact O-CG 3.24Å; V366-L370 WeakPolarHBondContact O-CG 2.8Å; V366-L370 PolarHBondContact O-N 2.78Å
367	H	97.7	Very high	92.5	Very high	57 Å²	57	55.9 Å²	55.9	26%	0.264	35%	0.351	S	S	.	.	H	α-helix	trans	-59	-46.2	179.7	-173.6	80.9	0	0	0	112.8	E308 F312 S363 T364 F369 L370 R371	E308-H367 WeakPolarHBondContact OE2-CB 2.8Å; E308-H367 IonicContact OE2-CE1 2.7Å; E308-H367 IonicContact OE2-CG 2.75Å; E308-H367 IonicContact OE2-ND1 3.86Å; E308-H367 PolarHBondContact OE2-ND1 3.33Å; F312-H367 AromaticContact CE2-CE1 3.91Å; F312-H367 AromaticContact CE2-ND1 3.67Å; F312-H367 AromaticContact CZ-CE1 3.89Å; S363-H367 WeakPolarHBondContact O-CB 3.36Å; S363-H367 PolarHBondContact O-N 3.47Å; T364-H367 PolarHBondContact O-N 3.33Å; H367-F369 VanDerWaalsContact C-N 3.34Å; H367-F369 PolarHBondContact O-N 3.5Å; H367-L370 PolarHBondContact O-N 3.45Å; H367-R371 VanDerWaalsContact O-CB 3.31Å; H367-R371 WeakPolarHBondContact O-CB 3.37Å; H367-R371 PolarHBondContact O-N 2.84Å
368	D	95.7	Very high	91.3	Very high	54 Å²	54	57 Å²	57	29%	0.289	36%	0.361	S	S	.	.	H	α-helix	trans	-64.1	-39	179.8	-77.8	-25.9	0	0	0	112.2	T364 V366 R371 Q372	T364-D368 WeakPolarHBondContact O-CB 3.37Å; T364-D368 PolarHBondContact O-N 3.04Å; V366-D368 PolarHBondContact O-N 2.94Å; D368-R371 IonicContact OD1-CZ 3.39Å; D368-R371 IonicContact OD1-NH1 2.91Å; D368-R371 PolarHBondContact OD1-NH1 3.29Å; D368-R371 IonicContact OD1-NH2 3.19Å; D368-R371 PolarHBondContact OD1-NH2 3.33Å; D368-Q372 VanDerWaalsContact O-CG 3.3Å; D368-Q372 WeakPolarHBondContact O-CG 3.21Å; D368-Q372 PolarHBondContact O-N 3.04Å; D368-Q372 PolarHBondContact O-NE2 3.46Å
369	F	96.5	Very high	90.8	Very high	6 Å²	6	56.9 Å²	56.9	3%	0.026	37%	0.373	C	S	.	.	H	α-helix	trans	-65.7	-48.6	176.3	175.1	-115.4	0	0	0	112	M344 A346 T355 L357 G365 V366 H367 R371 Q372 L373 L380	M344-F369 HydrophobicContact CG-CD1 4.32Å; M344-F369 HydrophobicContact CG-CE1 3.97Å; M344-F369 HydrophobicContact SD-CD1 3.72Å; M344-F369 HydrophobicContact SD-CE1 3.9Å; A346-F369 HydrophobicContact CB-CE1 4.27Å; A346-F369 HydrophobicContact CB-CZ 4.04Å; T355-F369 HydrophobicContact CG2-CE2 4.01Å; T355-F369 HydrophobicContact CG2-CZ 4.02Å; L357-F369 HydrophobicContact CB-CD1 3.97Å; L357-F369 HydrophobicContact CB-CD2 4.4Å; L357-F369 HydrophobicContact CB-CE1 4.15Å; L357-F369 HydrophobicContact CB-CG 4.1Å; L357-F369 HydrophobicContact CB-CZ 4.44Å; L357-F369 HydrophobicContact CD1-CB 3.5Å; L357-F369 VanDerWaalsContact CD1-CB 3.5Å; L357-F369 HydrophobicContact CD1-CD1 4.32Å; L357-F369 HydrophobicContact CD1-CD2 4.42Å; L357-F369 HydrophobicContact CD1-CG 3.86Å; G365-F369 WeakPolarHBondContact O-CB 3.49Å; G365-F369 PolarHBondContact O-N 2.99Å; G365-F369 VanDerWaalsContact O-N 3.15Å; V366-F369 PolarHBondContact O-N 3.22Å; H367-F369 VanDerWaalsContact C-N 3.34Å; H367-F369 PolarHBondContact O-N 3.5Å; F369-R371 VanDerWaalsContact C-N 3.34Å; F369-R371 PolarHBondContact O-N 3.24Å; F369-Q372 WeakPolarHBondContact O-CB 3.35Å; F369-Q372 PolarHBondContact O-N 3.43Å; F369-L373 HydrophobicContact CD1-CD1 4.18Å; F369-L373 HydrophobicContact CE1-CD1 3.78Å; F369-L373 HydrophobicContact CE2-CD1 4.39Å; F369-L373 HydrophobicContact CZ-CD1 3.9Å; F369-L373 HydrophobicContact CZ-CG 4.48Å; F369-L373 WeakPolarHBondContact O-CG 3.34Å; F369-L373 PolarHBondContact O-N 2.77Å; F369-L373 VanDerWaalsContact O-N 3.08Å; F369-L380 HydrophobicContact CD2-CD1 4.09Å; F369-L380 HydrophobicContact CD2-CD2 4.09Å; F369-L380 HydrophobicContact CE2-CD1 3.95Å; F369-L380 HydrophobicContact CE2-CD2 4.19Å
370	L	97.2	Very high	90.7	Very high	0 Å²	0	55 Å²	55	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-63.5	-39.5	176.6	-63	171.2	0	0	0	111.5	I283 E308 F312 W317 W319 M344 V366 H367 Q372 L373 S374	I283-L370 HydrophobicContact CD1-CD2 4.2Å; I283-L370 HydrophobicContact CG1-CD2 4.37Å; I283-L370 HydrophobicContact CG2-CD2 4.31Å; E308-L370 HydrophobicContact CB-CD1 3.78Å; F312-L370 HydrophobicContact CD1-CB 4.28Å; F312-L370 HydrophobicContact CD2-CB 3.7Å; F312-L370 HydrophobicContact CD2-CD1 3.73Å; F312-L370 HydrophobicContact CD2-CG 4.37Å; F312-L370 HydrophobicContact CE1-CB 4.04Å; F312-L370 HydrophobicContact CE2-CB 3.43Å; F312-L370 VanDerWaalsContact CE2-CB 3.43Å; F312-L370 HydrophobicContact CE2-CD1 3.9Å; F312-L370 HydrophobicContact CE2-CG 4.35Å; F312-L370 HydrophobicContact CG-CB 4.14Å; F312-L370 HydrophobicContact CZ-CB 3.61Å; W317-L370 HydrophobicContact CE3-CD2 4.24Å; W317-L370 HydrophobicContact CH2-CB 4.47Å; W317-L370 WeakPolarHBondContact CH2-O 3.25Å; W317-L370 HydrophobicContact CZ3-CB 4.04Å; W317-L370 HydrophobicContact CZ3-CD2 3.68Å; W317-L370 HydrophobicContact CZ3-CG 4.38Å; W319-L370 HydrophobicContact CH2-CD1 3.69Å; W319-L370 HydrophobicContact CH2-CD2 3.75Å; W319-L370 HydrophobicContact CH2-CG 4.36Å; W319-L370 HydrophobicContact CZ3-CD1 4.16Å; W319-L370 HydrophobicContact CZ3-CD2 4.13Å; M344-L370 HydrophobicContact SD-CD2 4.17Å; V366-L370 HydrophobicContact CG1-CD1 3.6Å; V366-L370 HydrophobicContact CG1-CG 4.18Å; V366-L370 VanDerWaalsContact O-CG 3.24Å; V366-L370 WeakPolarHBondContact O-CG 2.8Å; V366-L370 PolarHBondContact O-N 2.78Å; H367-L370 PolarHBondContact O-N 3.45Å; L370-Q372 VanDerWaalsContact C-N 3.34Å; L370-Q372 PolarHBondContact O-N 3.46Å; L370-L373 HydrophobicContact CD2-CD1 4.32Å; L370-L373 WeakPolarHBondContact O-CB 3.1Å; L370-L373 PolarHBondContact O-N 3.43Å; L370-S374 PolarHBondContact O-N 3.19Å
371	R	95.6	Very high	90.6	Very high	109 Å²	109	53.6 Å²	53.6	41%	0.411	33%	0.333	S	S	.	.	H	α-helix	trans	-58.7	-46	174	-173.2	-178.8	68.6	-115.4	-5.4	111.3	F312 H367 D368 F369 L373 S374 V375	F312-R371 HydrophobicContact CE1-CB 4.39Å; F312-R371 HydrophobicContact CZ-CB 4.09Å; H367-R371 VanDerWaalsContact O-CB 3.31Å; H367-R371 WeakPolarHBondContact O-CB 3.37Å; H367-R371 PolarHBondContact O-N 2.84Å; D368-R371 IonicContact OD1-CZ 3.39Å; D368-R371 IonicContact OD1-NH1 2.91Å; D368-R371 PolarHBondContact OD1-NH1 3.29Å; D368-R371 IonicContact OD1-NH2 3.19Å; D368-R371 PolarHBondContact OD1-NH2 3.33Å; F369-R371 VanDerWaalsContact C-N 3.34Å; F369-R371 PolarHBondContact O-N 3.24Å; R371-L373 VanDerWaalsContact C-N 3.33Å; R371-L373 PolarHBondContact O-N 3.43Å; R371-S374 PolarHBondContact O-N 3.39Å; R371-S374 VanDerWaalsContact O-N 3.16Å; R371-S374 PolarHBondContact O-OG 3.35Å; R371-V375 PolarHBondContact O-N 3.2Å
372	Q	95.3	Very high	90.5	Very high	73 Å²	73	58.1 Å²	58.1	34%	0.341	36%	0.357	S	S	.	.	H	α-helix	trans	-59.3	-43.3	177.6	-78.5	177.2	57.7	0	0	112.3	D368 F369 L370 S374 V375 S378 L380	D368-Q372 VanDerWaalsContact O-CG 3.3Å; D368-Q372 WeakPolarHBondContact O-CG 3.21Å; D368-Q372 PolarHBondContact O-N 3.04Å; D368-Q372 PolarHBondContact O-NE2 3.46Å; F369-Q372 WeakPolarHBondContact O-CB 3.35Å; F369-Q372 PolarHBondContact O-N 3.43Å; L370-Q372 VanDerWaalsContact C-N 3.34Å; L370-Q372 PolarHBondContact O-N 3.46Å; Q372-S374 VanDerWaalsContact C-N 3.33Å; Q372-S374 PolarHBondContact O-N 3.43Å; Q372-V375 PolarHBondContact O-N 2.76Å; Q372-S378 PolarHBondContact O-OG 3.22Å; Q372-L380 HydrophobicContact CB-CD1 3.8Å; Q372-L380 HydrophobicContact CB-CG 4.21Å
373	L	95.4	Very high	90.4	Very high	26 Å²	26	59.8 Å²	59.8	14%	0.136	36%	0.357	C	S	.	.	H	α-helix	trans	-59.5	-42.4	174.2	-67.6	170.5	0	0	0	112.1	L281 I283 W317 A346 T355 F369 L370 R371 V375 G376 L380	L281-L373 HydrophobicContact CD1-CB 4.29Å; L281-L373 HydrophobicContact CD1-CD2 4.33Å; I283-L373 HydrophobicContact CD1-CD1 4.12Å; W317-L373 HydrophobicContact CH2-CB 3.78Å; W317-L373 HydrophobicContact CZ2-CB 3.95Å; A346-L373 HydrophobicContact CB-CD1 3.46Å; A346-L373 VanDerWaalsContact CB-CD1 3.46Å; A346-L373 HydrophobicContact CB-CD2 4Å; A346-L373 HydrophobicContact CB-CG 4.41Å; T355-L373 HydrophobicContact CG2-CD2 3.58Å; F369-L373 HydrophobicContact CD1-CD1 4.18Å; F369-L373 HydrophobicContact CE1-CD1 3.78Å; F369-L373 HydrophobicContact CE2-CD1 4.39Å; F369-L373 HydrophobicContact CZ-CD1 3.9Å; F369-L373 HydrophobicContact CZ-CG 4.48Å; F369-L373 WeakPolarHBondContact O-CG 3.34Å; F369-L373 PolarHBondContact O-N 2.77Å; F369-L373 VanDerWaalsContact O-N 3.08Å; L370-L373 HydrophobicContact CD2-CD1 4.32Å; L370-L373 WeakPolarHBondContact O-CB 3.1Å; L370-L373 PolarHBondContact O-N 3.43Å; R371-L373 VanDerWaalsContact C-N 3.33Å; R371-L373 PolarHBondContact O-N 3.43Å; L373-V375 VanDerWaalsContact C-N 3.31Å; L373-V375 PolarHBondContact O-N 3.42Å; L373-G376 PolarHBondContact O-N 2.93Å; L373-L380 HydrophobicContact CD2-CD1 3.74Å; L373-L380 HydrophobicContact CG-CD1 4.01Å
374	S	93.2	Very high	90.3	Very high	38 Å²	38	62.3 Å²	62.3	27%	0.266	37%	0.366	S	S	.	.	H	α-helix	trans	-66.8	-27.5	-176.7	72.5	0	0	0	0	114.4	L370 R371 Q372	L370-S374 PolarHBondContact O-N 3.19Å; R371-S374 PolarHBondContact O-N 3.39Å; R371-S374 VanDerWaalsContact O-N 3.16Å; R371-S374 PolarHBondContact O-OG 3.35Å; Q372-S374 VanDerWaalsContact C-N 3.33Å; Q372-S374 PolarHBondContact O-N 3.43Å
375	V	88.7	Confident	89.9	Confident	109 Å²	109	58.1 Å²	58.1	66%	0.661	34%	0.34	S	S	*	.	H	α-helix	trans	-83.1	-16.6	-178.8	177.6	0	0	0	0	112.2	R371 Q372 L373 G377	R371-V375 PolarHBondContact O-N 3.2Å; Q372-V375 PolarHBondContact O-N 2.76Å; L373-V375 VanDerWaalsContact C-N 3.31Å; L373-V375 PolarHBondContact O-N 3.42Å; V375-G377 PolarHBondContact O-N 3.31Å; V375-G377 VanDerWaalsContact O-N 3.08Å
376	G	71.5	Confident	89.2	Confident	73 Å²	73	61.8 Å²	61.8	75%	0.753	36%	0.363	S	S	*	.	S	Bend	trans	68.5	4.2	173.6	0	0	0	0	0	116.5	L373	L373-G376 PolarHBondContact O-N 2.93Å
377	G	65.1	Low	88.6	Confident	63 Å²	63	65 Å²	65	65%	0.649	39%	0.385	S	S	*	.			trans	-130.6	14	-179.3	0	0	0	0	0	114.4	V375	V375-G377 PolarHBondContact O-N 3.31Å; V375-G377 VanDerWaalsContact O-N 3.08Å
378	S	69.2	Low	88.1	Confident	41 Å²	41	64.9 Å²	64.9	29%	0.287	39%	0.386	S	S	.	.			trans	-68.8	146.9	177.5	57	0	0	0	0	112	Q372 L380	Q372-S378 PolarHBondContact O-OG 3.22Å; S378-L380 PolarHBondContact O-N 3.03Å; S378-L380 WeakPolarHBondContact OG-CD1 3.46Å; S378-L380 WeakPolarHBondContact OG-CG 3.19Å
379	N	80.7	Confident	87.7	Confident	171 Å²	171	63.7 Å²	63.7	91%	0.914	38%	0.382	S	S	*	.			trans	-70.4	29.5	170.3	-71.8	-18	0	0	0	113.3
380	L	89.3	Confident	87.3	Confident	26 Å²	26	72 Å²	72	14%	0.136	42%	0.42	C	S	.	.	P	Polyproline II helix	trans	-66.3	127.4	176.2	-74.3	177.2	0	0	0	108.8	T355 F369 Q372 L373 S378 L382	T355-L380 HydrophobicContact CG2-CD1 4.22Å; F369-L380 HydrophobicContact CD2-CD1 4.09Å; F369-L380 HydrophobicContact CD2-CD2 4.09Å; F369-L380 HydrophobicContact CE2-CD1 3.95Å; F369-L380 HydrophobicContact CE2-CD2 4.19Å; Q372-L380 HydrophobicContact CB-CD1 3.8Å; Q372-L380 HydrophobicContact CB-CG 4.21Å; L373-L380 HydrophobicContact CD2-CD1 3.74Å; L373-L380 HydrophobicContact CG-CD1 4.01Å; S378-L380 PolarHBondContact O-N 3.03Å; S378-L380 WeakPolarHBondContact OG-CD1 3.46Å; S378-L380 WeakPolarHBondContact OG-CG 3.19Å; L380-L382 PolarHBondContact O-N 3.18Å
381	P	91.4	Very high	87.1	Confident	37 Å²	37	72.7 Å²	72.7	24%	0.24	42%	0.424	C	S	.	.	P	Polyproline II helix	trans	-67.1	123.8	178.6	26.2	-30.8	0	0	0	109.6	T355 Y383	T355-P381 WeakPolarHBondContact CB-O 3.31Å; T355-P381 PolarHBondContact OG1-O 3.37Å; P381-Y383 HydrophobicContact CB-CE2 3.81Å; P381-Y383 HydrophobicContact CG-CE2 3.99Å
382	L	92.9	Very high	86.9	Confident	115 Å²	115	74.5 Å²	74.5	60%	0.602	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-97.6	128.9	177.4	-62.3	178.5	0	0	0	110	R354 T355 L380	R354-L382 WeakPolarHBondContact O-CA 3.03Å; T355-L382 HydrophobicContact CG2-CD2 4.47Å; L380-L382 PolarHBondContact O-N 3.18Å
383	Y	93.9	Very high	86.9	Confident	84 Å²	84	76.9 Å²	76.9	33%	0.329	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	146.9	177	-56.3	-86.5	0	0	0	110.2	K353 R354 R358 P381	K353-Y383 CarbonylContact C-O 3.53Å; K353-Y383 VanDerWaalsContact CA-O 3.27Å; K353-Y383 WeakPolarHBondContact CA-O 3.35Å; R354-Y383 PolarHBondContact N-O 2.9Å; R354-Y383 PolarHBondContact O-N 3.07Å; R358-Y383 PolarHBondContact NH2-OH 3.5Å; P381-Y383 HydrophobicContact CB-CE2 3.81Å; P381-Y383 HydrophobicContact CG-CE2 3.99Å
384	D	94.4	Very high	86.8	Confident	115 Å²	115	77.3 Å²	77.3	62%	0.615	46%	0.458	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.3	142.6	173.5	-75.4	-61.7	0	0	0	111.6	K353	K353-D384 WeakPolarHBondContact CD-OD1 3.47Å; K353-D384 WeakPolarHBondContact CE-OD1 3.49Å; K353-D384 IonicContact NZ-OD1 2.65Å; K353-D384 PolarHBondContact NZ-OD1 3.21Å; K353-D384 IonicContact NZ-OD2 3.48Å; K353-D384 PolarHBondContact NZ-OD2 3.26Å
385	V	89.9	Confident	86.8	Confident	6 Å²	6	83.9 Å²	83.9	4%	0.036	48%	0.484	C	S	.	.			trans	-117.6	111.7	170.7	-176.7	0	0	0	0	106.7	V333 L334 K352 R354 S387 L388	V333-V385 HydrophobicContact CG1-CG1 3.69Å; L334-V385 HydrophobicContact CD2-CG1 4.35Å; L334-V385 HydrophobicContact CD2-CG2 4.17Å; K352-V385 WeakPolarHBondContact CB-O 2.96Å; K352-V385 PolarHBondContact O-N 2.69Å; R354-V385 HydrophobicContact CB-CG2 3.63Å; R354-V385 HydrophobicContact CG-CG2 3.56Å; V385-S387 VanDerWaalsContact C-N 3.35Å; V385-S387 PolarHBondContact O-N 3.28Å; V385-L388 HydrophobicContact CG1-CD2 4.37Å
386	S	81.2	Confident	87.1	Confident	94 Å²	94	81.9 Å²	81.9	66%	0.657	48%	0.479	S	S	*	.	S	Bend	trans	-53.2	-52	-178	46.7	0	0	0	0	112.1	K352	K352-S386 PolarHBondContact NZ-O 2.87Å
387	S	85.8	Confident	88.3	Confident	68 Å²	68	80.6 Å²	80.6	48%	0.476	45%	0.452	S	S	.	.			trans	-167.4	152.7	171.9	48.8	0	0	0	0	109.2	V333 V385	V333-S387 WeakPolarHBondContact CG1-O 3.49Å; V385-S387 VanDerWaalsContact C-N 3.35Å; V385-S387 PolarHBondContact O-N 3.28Å
388	L	87	Confident	89.7	Confident	55 Å²	55	82.5 Å²	82.5	29%	0.288	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-69	136.2	168.5	-67	175.7	0	0	0	109.5	L272 C276 L330 L334 V347 V385	L272-L388 HydrophobicContact CD2-CB 4.11Å; L272-L388 HydrophobicContact CD2-CD1 4.24Å; L272-L388 HydrophobicContact CG-CD1 4.31Å; C276-L388 HydrophobicContact CB-CD1 3.92Å; L330-L388 HydrophobicContact CD1-CD2 4.16Å; L334-L388 HydrophobicContact CD2-CD2 4.37Å; V347-L388 HydrophobicContact CG1-CD2 4.4Å; V385-L388 HydrophobicContact CG1-CD2 4.37Å
389	P	88.2	Confident	90.9	Very high	29 Å²	29	81.9 Å²	81.9	19%	0.188	45%	0.447	C	S	.	.	P	Polyproline II helix	trans	-76.6	167.6	-177.9	31.1	-32.3	0	0	0	111.8	D329 L330 V333	D329-P389 HydrophobicContact CB-CB 4.08Å; D329-P389 HydrophobicContact CB-CG 4.25Å; L330-P389 VanDerWaalsContact CA-CG 3.49Å; L330-P389 HydrophobicContact CB-CG 4.01Å; L330-P389 HydrophobicContact CD1-CG 4.11Å; V333-P389 HydrophobicContact CB-CG 4.46Å; V333-P389 HydrophobicContact CG2-CB 4.43Å; V333-P389 HydrophobicContact CG2-CG 4.18Å
390	E	87.9	Confident	91.5	Very high	179 Å²	179	80.2 Å²	80.2	84%	0.836	43%	0.432	S	S	*	.	P	Polyproline II helix	trans	-66.3	134.5	168.2	-69.3	-173.8	176.9	0	0	110.4
391	I	92.1	Very high	91.8	Very high	15 Å²	15	83.1 Å²	83.1	8%	0.077	45%	0.447	C	S	.	.	P	Polyproline II helix	trans	-98.1	124.7	179.6	-62	-57.4	0	0	0	109.3	L266 A269 L272 L330	L266-I391 HydrophobicContact CD1-CG1 4.42Å; L266-I391 HydrophobicContact CD1-CG2 4.12Å; L266-I391 HydrophobicContact CD2-CD1 4.12Å; L266-I391 HydrophobicContact CD2-CG1 4.47Å; L266-I391 HydrophobicContact CG-CG2 4.2Å; A269-I391 HydrophobicContact CB-CB 4.21Å; L272-I391 HydrophobicContact CB-CG1 4.09Å; L272-I391 HydrophobicContact CD2-CD1 3.91Å; L272-I391 HydrophobicContact CD2-CG1 3.51Å; L272-I391 HydrophobicContact CG-CG1 4.37Å; L330-I391 HydrophobicContact CB-CD1 3.99Å; L330-I391 HydrophobicContact CD1-CD1 4.44Å; L330-I391 HydrophobicContact CD2-CD1 4.12Å; L330-I391 HydrophobicContact CG-CD1 4.42Å
392	K	91.2	Very high	91.6	Very high	148 Å²	148	82 Å²	82	64%	0.643	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-69.7	137.3	172.8	-65.5	177.9	-175	171.1	0	109.4	H327 V394	H327-K392 PolarHBondContact CE1-O 2.99Å; H327-K392 VanDerWaalsContact CE1-O 3.3Å; K392-V394 PolarHBondContact O-N 3.08Å
393	T	94.9	Very high	91.3	Very high	122 Å²	122	80.7 Å²	80.7	75%	0.748	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-69.3	129.8	173.1	-56.1	0	0	0	0	109.6	T267	T267-T393 CarbonylContact O-C 3.6Å; T267-T393 VanDerWaalsContact O-CA 3.24Å; T267-T393 WeakPolarHBondContact O-CA 3.34Å
394	V	94.2	Very high	90.7	Very high	36 Å²	36	82.6 Å²	82.6	22%	0.218	46%	0.462	C	S	.	.			trans	-132.4	153.6	-179.4	-65.9	0	0	0	0	110.2	T267 K326 K392	T267-V394 WeakPolarHBondContact CB-O 3.46Å; T267-V394 HydrophobicContact CG2-CG2 4.42Å; T267-V394 PolarHBondContact O-N 3.47Å; K326-V394 HydrophobicContact CD-CG2 4.2Å; K326-V394 VanDerWaalsContact CE-CG2 3.48Å; K326-V394 HydrophobicContact CG-CB 4.44Å; K326-V394 HydrophobicContact CG-CG1 4.2Å; K326-V394 HydrophobicContact CG-CG2 4.25Å; K392-V394 PolarHBondContact O-N 3.08Å
395	E	93.5	Very high	89.9	Confident	175 Å²	175	82.3 Å²	82.3	82%	0.818	47%	0.465	S	S	*	.	P	Polyproline II helix	trans	-65.8	138.1	175.1	-65.1	-174.3	170	0	0	110.7	K326	K326-E395 PolarHBondContact NZ-O 3.36Å
396	A	95.7	Very high	89.1	Confident	67 Å²	67	90.7 Å²	90.7	55%	0.554	50%	0.504	S	S	*	.	P	Polyproline II helix	trans	-65.9	146.7	174.2	0	0	0	0	0	110.2	E265 T267 D398	E265-A396 WeakPolarHBondContact OE2-CA 3.42Å; T267-A396 HydrophobicContact CG2-CB 4.03Å; A396-D398 PolarHBondContact O-N 3.19Å
397	W	95.7	Very high	88.1	Confident	47 Å²	47	95 Å²	95	18%	0.178	51%	0.513	C	S	.	.	P	Polyproline II helix	trans	-62.3	129.5	174.9	177.4	47.1	0	0	0	110.8	E265 L290 R298 K299 L302 W321 G399 K400	E265-W397 PolarHBondContact OE1-N 3.12Å; E265-W397 PolarHBondContact OE2-N 3.25Å; L290-W397 HydrophobicContact CD1-CZ2 4.36Å; R298-W397 HydrophobicContact CB-CH2 4.15Å; R298-W397 HydrophobicContact CB-CZ2 4.46Å; R298-W397 HydrophobicContact CG-CE3 4.4Å; R298-W397 HydrophobicContact CG-CH2 3.97Å; R298-W397 HydrophobicContact CG-CZ2 4.44Å; R298-W397 HydrophobicContact CG-CZ3 3.95Å; K299-W397 HydrophobicContact CG-CH2 4.07Å; L302-W397 HydrophobicContact CD1-CE3 4.39Å; L302-W397 HydrophobicContact CD1-CZ3 3.73Å; W321-W397 HydrophobicContact CH2-CB 4.07Å; W321-W397 HydrophobicContact CH2-CD2 4.45Å; W321-W397 AromaticContact CH2-CE3 3.97Å; W321-W397 HydrophobicContact CH2-CE3 3.97Å; W321-W397 HydrophobicContact CZ2-CE3 4.29Å; W397-G399 VanDerWaalsContact CE2-CA 3.4Å; W397-G399 VanDerWaalsContact CZ2-C 3.42Å; W397-G399 VanDerWaalsContact CZ2-CA 3.5Å; W397-G399 PolarHBondContact O-N 3.42Å; W397-K400 PolarHBondContact NE1-O 2.7Å
398	D	94.1	Very high	86.8	Confident	103 Å²	103	98.2 Å²	98.2	55%	0.551	52%	0.521	S	S	*	.			trans	-78.5	-0.6	-176.6	73.4	-16.6	0	0	0	113.9	A396 K400	A396-D398 PolarHBondContact O-N 3.19Å; D398-K400 VanDerWaalsContact C-N 3.32Å; D398-K400 WeakPolarHBondContact OD1-CB 3.29Å; D398-K400 PolarHBondContact OD1-N 3.3Å; D398-K400 VanDerWaalsContact OD2-CD 3.28Å; D398-K400 WeakPolarHBondContact OD2-CD 3.3Å; D398-K400 WeakPolarHBondContact OD2-CG 3.39Å; D398-K400 IonicContact OD2-NZ 3.67Å
399	G	94.4	Very high	85.2	Confident	27 Å²	27	102.1 Å²	102.1	28%	0.278	54%	0.542	S	S	.	.	S	Bend	trans	82.9	2.6	-178.9	0	0	0	0	0	114.9	K299 W397	K299-G399 PolarHBondContact NZ-O 3.13Å; W397-G399 VanDerWaalsContact CE2-CA 3.4Å; W397-G399 VanDerWaalsContact CZ2-C 3.42Å; W397-G399 VanDerWaalsContact CZ2-CA 3.5Å; W397-G399 PolarHBondContact O-N 3.42Å
400	K	94.5	Very high	83.9	Confident	137 Å²	137	108 Å²	108	60%	0.596	56%	0.562	S	S	*	*	S	Bend	trans	-100.8	171.9	-177.5	-57.4	-176	-167.4	157.5	0	112.4	L290 W397 D398	L290-K400 WeakPolarHBondContact CD2-O 3.39Å; W397-K400 PolarHBondContact NE1-O 2.7Å; D398-K400 VanDerWaalsContact C-N 3.32Å; D398-K400 WeakPolarHBondContact OD1-CB 3.29Å; D398-K400 PolarHBondContact OD1-N 3.3Å; D398-K400 VanDerWaalsContact OD2-CD 3.28Å; D398-K400 WeakPolarHBondContact OD2-CD 3.3Å; D398-K400 WeakPolarHBondContact OD2-CG 3.39Å; D398-K400 IonicContact OD2-NZ 3.67Å
401	D	94.3	Very high	82.5	Confident	86 Å²	86	106.2 Å²	106.2	46%	0.46	56%	0.558	S	S	.	*	P	Polyproline II helix	trans	-67.9	163.2	172.6	-73.1	-17.4	0	0	0	111.3	S295	S295-D401 WeakPolarHBondContact CA-OD1 3.23Å; S295-D401 WeakPolarHBondContact CB-OD1 3.43Å; S295-D401 PolarHBondContact N-OD1 3.01Å; S295-D401 PolarHBondContact OG-OD1 3.18Å
402	A	88.9	Confident	80.8	Confident	13 Å²	13	112.6 Å²	112.6	11%	0.107	59%	0.592	C	S	.	*	P	Polyproline II helix	trans	-62.1	141.9	173.9	0	0	0	0	0	109.1	L290 F291	L290-A402 HydrophobicContact CB-CB 4.1Å; L290-A402 HydrophobicContact CD2-CB 4.06Å; L290-A402 HydrophobicContact CG-CB 3.86Å; F291-A402 HydrophobicContact CD1-CB 3.62Å; F291-A402 HydrophobicContact CD2-CB 4.32Å; F291-A402 HydrophobicContact CE1-CB 3.69Å; F291-A402 HydrophobicContact CE2-CB 4.38Å; F291-A402 HydrophobicContact CG-CB 3.95Å; F291-A402 HydrophobicContact CZ-CB 4.08Å
403	P	86	Confident	79.1	Confident	88 Å²	88	111.6 Å²	111.6	57%	0.571	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-58.6	148.7	172.8	26.4	-33.1	0	0	0	109.3	F291 T405	F291-P403 WeakPolarHBondContact CE1-O 3.14Å; F291-P403 HydrophobicContact CZ-CG 4.42Å; P403-T405 PolarHBondContact O-N 3.15Å
404	P	81.2	Confident	77.1	Confident	124 Å²	124	114.4 Å²	114.4	81%	0.805	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-51.9	135	170.8	-20.5	30.9	0	0	0	109.2	E406	P404-E406 PolarHBondContact O-N 2.95Å; P404-E406 VanDerWaalsContact O-N 3.16Å
405	T	77.2	Confident	75.3	Confident	110 Å²	110	118.1 Å²	118.1	68%	0.675	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-60.2	120	167.4	36.9	0	0	0	0	107.6	F291 P403 E407	F291-T405 HydrophobicContact CD1-CG2 4.39Å; F291-T405 HydrophobicContact CE1-CG2 4.03Å; P403-T405 PolarHBondContact O-N 3.15Å; T405-E407 PolarHBondContact O-N 2.94Å; T405-E407 VanDerWaalsContact O-N 3.16Å
406	E	72.3	Confident	73.3	Confident	182 Å²	182	118.7 Å²	118.7	85%	0.85	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-57.6	120.9	164.8	-67.3	-178	176	0	0	106.6	P404 Q408	P404-E406 PolarHBondContact O-N 2.95Å; P404-E406 VanDerWaalsContact O-N 3.16Å; E406-Q408 VanDerWaalsContact C-N 3.35Å; E406-Q408 PolarHBondContact O-N 3.15Å
407	E	61.8	Low	71.6	Confident	185 Å²	185	126.5 Å²	126.5	86%	0.864	65%	0.651	S	S	*	*			trans	-59	105.6	168	-72.4	-178.9	173.2	0	0	105.8	T405 D409	T405-E407 PolarHBondContact O-N 2.94Å; T405-E407 VanDerWaalsContact O-N 3.16Å; E407-D409 PolarHBondContact O-N 2.82Å
408	Q	57.3	Low	70.4	Confident	134 Å²	134	130.5 Å²	130.5	63%	0.626	68%	0.675	S	S	*	*			trans	-62.8	107.3	166.1	-81	-176.9	-9	0	0	105.6	E406 Y410	E406-Q408 VanDerWaalsContact C-N 3.35Å; E406-Q408 PolarHBondContact O-N 3.15Å; Q408-Y410 VanDerWaalsContact C-N 3.25Å; Q408-Y410 HydrophobicContact CB-CD2 4.31Å; Q408-Y410 HydrophobicContact CB-CE1 4.28Å; Q408-Y410 HydrophobicContact CB-CE2 3.88Å; Q408-Y410 WeakPolarHBondContact O-CD2 3.34Å; Q408-Y410 PolarHBondContact O-N 2.99Å; Q408-Y410 PolarHBondContact OE1-OH 3.01Å
409	D	53.1	Low	69.1	Low	138 Å²	138	131.9 Å²	131.9	74%	0.738	68%	0.682	S	S	*	*			trans	-61.3	93.7	170.3	-125.3	-16.5	0	0	0	106.6	E407 D411	E407-D409 PolarHBondContact O-N 2.82Å; D409-D411 PolarHBondContact O-N 2.79Å; D409-D411 VanDerWaalsContact O-N 3.16Å
410	Y	61	Low	67.7	Low	152 Å²	152	137.8 Å²	137.8	60%	0.596	70%	0.704	S	S	*	*	G	3₁₀ helix	trans	-73.8	5.6	178.4	-73.1	-71.4	0	0	0	112.2	Q408 D412 L413	Q408-Y410 VanDerWaalsContact C-N 3.25Å; Q408-Y410 HydrophobicContact CB-CD2 4.31Å; Q408-Y410 HydrophobicContact CB-CE1 4.28Å; Q408-Y410 HydrophobicContact CB-CE2 3.88Å; Q408-Y410 WeakPolarHBondContact O-CD2 3.34Å; Q408-Y410 PolarHBondContact O-N 2.99Å; Q408-Y410 PolarHBondContact OE1-OH 3.01Å; Y410-D412 PolarHBondContact O-N 3.2Å; Y410-L413 HydrophobicContact CD1-CD1 3.7Å; Y410-L413 HydrophobicContact CD1-CG 4.42Å; Y410-L413 HydrophobicContact CE1-CD1 4.38Å; Y410-L413 PolarHBondContact O-N 2.8Å
411	D	58.3	Low	66.1	Low	141 Å²	141	137.8 Å²	137.8	75%	0.754	71%	0.71	S	S	*	*	G	3₁₀ helix	trans	-65.2	-17.2	178	-93.1	2.1	0	0	0	113.4	D409	D409-D411 PolarHBondContact O-N 2.79Å; D409-D411 VanDerWaalsContact O-N 3.16Å
412	D	57	Low	64.4	Low	150 Å²	150	141.1 Å²	141.1	80%	0.802	73%	0.726	S	S	*	*	G	3₁₀ helix	trans	-91.9	1.1	175.7	-82.2	-16.8	0	0	0	114.7	Y410 K414	Y410-D412 PolarHBondContact O-N 3.2Å; D412-K414 PolarHBondContact O-N 2.76Å
413	L	55.1	Low	62.7	Low	127 Å²	127	149.6 Å²	149.6	67%	0.665	77%	0.767	S	S	*	*			trans	-77.1	65.6	164	-67.8	179.4	0	0	0	109.8	Y410 V415	Y410-L413 HydrophobicContact CD1-CD1 3.7Å; Y410-L413 HydrophobicContact CD1-CG 4.42Å; Y410-L413 HydrophobicContact CE1-CD1 4.38Å; Y410-L413 PolarHBondContact O-N 2.8Å; L413-V415 PolarHBondContact O-N 3.08Å
414	K	53.2	Low	61.1	Low	180 Å²	180	154 Å²	154	78%	0.783	78%	0.781	S	S	*	*			trans	-61.9	95.8	154.7	-76.2	-176	178.6	173.7	0	106.9	D412 E416	D412-K414 PolarHBondContact O-N 2.76Å; K414-E416 PolarHBondContact O-N 3.03Å
415	V	56.2	Low	59.5	Low	115 Å²	115	156.3 Å²	156.3	70%	0.697	78%	0.78	S	S	*	*			trans	-62.6	94.8	163.1	-177.3	0	0	0	0	106	L413 L417	L413-V415 PolarHBondContact O-N 3.08Å; V415-L417 HydrophobicContact CG1-CD2 4.29Å; V415-L417 HydrophobicContact CG1-CG 4.18Å; V415-L417 PolarHBondContact O-N 2.66Å; V415-L417 VanDerWaalsContact O-N 3.13Å
416	E	52.2	Low	58	Low	187 Å²	187	160.2 Å²	160.2	87%	0.874	79%	0.788	S	S	*	*			trans	-67.3	104.3	160.6	-68.8	-166.7	163	0	0	106.5	K414	K414-E416 PolarHBondContact O-N 3.03Å
417	L	59.2	Low	56.7	Low	231 Å²	231	158.2 Å²	158.2	100%	1.209	78%	0.783	S	S	*	*			trans	-73.9	0	170.6	-80.5	169.8	0	0	0	111.2	V415	V415-L417 HydrophobicContact CG1-CD2 4.29Å; V415-L417 HydrophobicContact CG1-CG 4.18Å; V415-L417 PolarHBondContact O-N 2.66Å; V415-L417 VanDerWaalsContact O-N 3.13Å

Retrieved 417 of 417 residues in 1302.4 ms (Link to these results)

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