A0A077ZJ91_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZJ91, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 722 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	G	39.4	Very low	40.8	Very low	132 Å²	132	147.4 Å²	147.4	100%	1.361	84%	0.841	S	S	*	*				0	100.7	0	0	0	0	0	0	108.8	F3	G1-F3 PolarHBondContact O-N 3.05Å
2	L	36.6	Very low	41.8	Very low	168 Å²	168	149.3 Å²	149.3	88%	0.88	84%	0.837	S	S	*	*			trans	-78	96.9	175.4	-79.1	116.9	0	0	0	108.9
3	F	42.1	Very low	43.6	Very low	201 Å²	201	147.4 Å²	147.4	88%	0.882	82%	0.815	S	S	*	*			trans	-173.5	66	151.7	-83.6	-63.6	0	0	0	106.1	G1 S5	G1-F3 PolarHBondContact O-N 3.05Å; F3-S5 PolarHBondContact O-N 3.08Å
4	Q	37.5	Very low	46.1	Very low	198 Å²	198	141.8 Å²	141.8	93%	0.925	78%	0.783	S	S	*	*			trans	-71.8	86.9	158.7	-123.6	171	-16.2	0	0	105	S6	Q4-S6 VanDerWaalsContact C-N 3.3Å; Q4-S6 PolarHBondContact O-N 3.44Å
5	S	39.7	Very low	48.6	Very low	100 Å²	100	137.5 Å²	137.5	70%	0.699	76%	0.762	S	S	*	*			trans	-57.3	103.7	165.5	41.5	0	0	0	0	105.6	F3 C7	F3-S5 PolarHBondContact O-N 3.08Å; S5-C7 PolarHBondContact O-N 3.43Å
6	S	38.1	Very low	50.9	Low	101 Å²	101	131.3 Å²	131.3	71%	0.706	73%	0.725	S	S	*	*			trans	-59.7	101.4	164.6	55.9	0	0	0	0	105.2	Q4 E8	Q4-S6 VanDerWaalsContact C-N 3.3Å; Q4-S6 PolarHBondContact O-N 3.44Å; S6-E8 PolarHBondContact O-N 2.91Å
7	C	37.9	Very low	53.1	Low	116 Å²	116	128.2 Å²	128.2	78%	0.784	71%	0.714	S	S	*	*			trans	-60.5	85.2	155.3	-80.1	0	0	0	0	105.1	S5 T9	S5-C7 PolarHBondContact O-N 3.43Å; C7-T9 PolarHBondContact O-N 3.46Å
8	E	39.2	Very low	55	Low	162 Å²	162	122.6 Å²	122.6	76%	0.757	69%	0.685	S	S	*	*			trans	-50.7	116.5	155.2	-82.8	-176.2	160.1	0	0	103.7	S6 K10	S6-E8 PolarHBondContact O-N 2.91Å; E8-K10 PolarHBondContact O-N 2.87Å
9	T	43	Very low	56.8	Low	137 Å²	137	121.6 Å²	121.6	84%	0.84	67%	0.669	S	S	*	*			trans	-56.3	85.5	171.3	32.2	0	0	0	0	106	C7 I11	C7-T9 PolarHBondContact O-N 3.46Å; T9-I11 PolarHBondContact O-N 3.17Å
10	K	46.7	Very low	58.4	Low	193 Å²	193	116.9 Å²	116.9	84%	0.839	64%	0.643	S	S	*	*			trans	-51.5	113.2	169.3	-82.7	-178	177.5	176.7	0	102.7	E8 Q12	E8-K10 PolarHBondContact O-N 2.87Å; K10-Q12 PolarHBondContact O-N 3.38Å
11	I	48.4	Very low	59.8	Low	113 Å²	113	112.4 Å²	112.4	58%	0.579	62%	0.623	S	S	*	*			trans	-32.3	112.6	172.2	-63.9	164	0	0	0	105.9	T9 K13	T9-I11 PolarHBondContact O-N 3.17Å; I11-K13 PolarHBondContact O-N 3.22Å
12	Q	53	Low	62.1	Low	170 Å²	170	108.8 Å²	108.8	79%	0.794	58%	0.575	S	S	*	*			trans	-58.3	107.9	-177	-173.7	171.2	-9	0	0	105.5	K10	K10-Q12 PolarHBondContact O-N 3.38Å
13	K	65	Low	64.5	Low	125 Å²	125	105.9 Å²	105.9	54%	0.543	56%	0.56	S	S	.	*	P	Polyproline II helix	trans	-92.4	126.5	175.9	-72.7	-171.6	177.6	-171.6	0	105.6	I11 P38 Q39	I11-K13 PolarHBondContact O-N 3.22Å; K13-P38 HydrophobicContact CB-CB 4.05Å; K13-P38 HydrophobicContact CD-CB 3.94Å; K13-Q39 CarbonylContact C-O 3.38Å; K13-Q39 WeakPolarHBondContact CA-O 3.03Å
14	D	79.1	Confident	66.6	Low	69 Å²	69	101.1 Å²	101.1	37%	0.369	54%	0.54	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	147.3	170.1	-58.9	-41.7	0	0	0	108.2	F16 P38 Q39 A41	D14-F16 HydrophobicContact CB-CD2 4.45Å; D14-F16 HydrophobicContact CB-CE2 3.77Å; D14-F16 HydrophobicContact CB-CZ 4.22Å; D14-P38 WeakPolarHBondContact O-CA 2.96Å; D14-Q39 PolarHBondContact N-O 2.81Å; D14-Q39 PolarHBondContact O-N 3.38Å; D14-Q39 VanDerWaalsContact O-O 3.08Å; D14-A41 WeakPolarHBondContact OD2-CA 3.18Å; D14-A41 WeakPolarHBondContact OD2-CB 3.47Å
15	V	83.8	Confident	69	Low	78 Å²	78	98.6 Å²	98.6	47%	0.473	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	117.3	175.8	177.5	0	0	0	0	107.3	C36 L83	V15-C36 HydrophobicContact CG1-CB 4.22Å; V15-L83 HydrophobicContact CB-CD1 4.45Å; V15-L83 HydrophobicContact CG1-CD1 3.69Å; V15-L83 HydrophobicContact CG2-CD1 3.84Å
16	F	85.5	Confident	71	Confident	38 Å²	38	102.5 Å²	102.5	17%	0.167	54%	0.54	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	129.5	175	-66.9	-95.7	0	0	0	108.3	D14 C36 Y37 Q39 M42	D14-F16 HydrophobicContact CB-CD2 4.45Å; D14-F16 HydrophobicContact CB-CE2 3.77Å; D14-F16 HydrophobicContact CB-CZ 4.22Å; F16-C36 CarbonylContact O-C 3.55Å; F16-C36 VanDerWaalsContact O-CA 3.26Å; F16-C36 WeakPolarHBondContact O-CA 3.07Å; F16-Y37 HydrophobicContact CB-CD2 4.39Å; F16-Y37 HydrophobicContact CB-CE2 3.76Å; F16-Y37 HydrophobicContact CG-CE2 4.42Å; F16-Y37 PolarHBondContact N-O 3.26Å; F16-Y37 PolarHBondContact O-N 3.42Å; F16-Q39 HydrophobicContact CD2-CB 3.73Å; F16-Q39 HydrophobicContact CE2-CB 3.88Å; F16-M42 HydrophobicContact CE1-CB 3.96Å; F16-M42 HydrophobicContact CE1-CE 4.35Å; F16-M42 HydrophobicContact CZ-CB 3.81Å
17	C	88.1	Confident	73	Confident	79 Å²	79	103.3 Å²	103.3	53%	0.534	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	137.8	179.3	-70.6	0	0	0	0	110.6	A35 C36	C17-A35 CarbonylContact C-O 3.59Å; C17-A35 WeakPolarHBondContact CA-O 3.19Å; C17-C36 HydrophobicContact CB-CB 4.24Å; C17-C36 WeakPolarHBondContact CB-SG 3.41Å; C17-C36 WeakPolarHBondContact SG-CB 3.41Å; C17-C36 CovalentContact SG-SG 2.05Å; C17-C36 PolarHBondContact SG-SG 3.3Å
18	S	87.5	Confident	75.2	Confident	27 Å²	27	103.3 Å²	103.3	19%	0.189	53%	0.525	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	138.8	169.9	-66.9	0	0	0	0	109	A34 A35	S18-A34 CarbonylContact O-C 3.52Å; S18-A34 VanDerWaalsContact O-CA 3.28Å; S18-A34 WeakPolarHBondContact O-CA 2.98Å; S18-A35 PolarHBondContact N-O 3.45Å; S18-A35 PolarHBondContact O-N 2.05Å
19	W	88.9	Confident	77.3	Confident	103 Å²	103	101.2 Å²	101.2	39%	0.39	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	139.2	-177.6	176.3	89	0	0	0	110.5	G21 L23 Q28	W19-G21 VanDerWaalsContact CH2-C 3.44Å; W19-G21 VanDerWaalsContact CH2-CA 3.43Å; W19-G21 VanDerWaalsContact CZ2-CA 3.46Å; W19-L23 HydrophobicContact CH2-CD2 3.63Å; W19-L23 HydrophobicContact CH2-CG 4.19Å; W19-L23 HydrophobicContact CZ3-CD2 4.15Å; W19-Q28 HydrophobicContact CZ2-CG 3.79Å
20	I	87.8	Confident	79.2	Confident	27 Å²	27	99.9 Å²	99.9	14%	0.138	50%	0.496	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	129.1	174.1	-59	172.9	0	0	0	107.3	I32 G33 W59 H67 R68 L69 P88	I20-I32 HydrophobicContact CG2-CB 4.2Å; I20-I32 HydrophobicContact CG2-CG2 4.37Å; I20-I32 WeakPolarHBondContact O-CA 3.39Å; I20-I32 WeakPolarHBondContact O-CB 3.43Å; I20-I32 PolarHBondContact O-N 3.48Å; I20-G33 PolarHBondContact N-O 2.77Å; I20-G33 PolarHBondContact O-N 3.2Å; I20-W59 HydrophobicContact CD1-CE3 3.98Å; I20-W59 HydrophobicContact CD1-CZ3 4.09Å; I20-W59 HydrophobicContact CG1-CE3 4.43Å; I20-W59 HydrophobicContact CG1-CZ3 4.13Å; I20-H67 HydrophobicContact CD1-CB 4.4Å; I20-R68 WeakPolarHBondContact CD1-O 3.47Å; I20-L69 HydrophobicContact CD1-CD2 3.7Å; I20-L69 HydrophobicContact CD1-CG 4.19Å; I20-L69 HydrophobicContact CG1-CD2 3.84Å; I20-P88 HydrophobicContact CD1-CG 4.06Å
21	G	87.6	Confident	81	Confident	23 Å²	23	94.1 Å²	94.1	24%	0.237	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.2	-172.5	178.7	0	0	0	0	0	112.8	W19 K30	W19-G21 VanDerWaalsContact CH2-C 3.44Å; W19-G21 VanDerWaalsContact CH2-CA 3.43Å; W19-G21 VanDerWaalsContact CZ2-CA 3.46Å; G21-K30 CarbonylContact C-O 3.37Å; G21-K30 WeakPolarHBondContact CA-O 3.16Å
22	T	88	Confident	82.7	Confident	57 Å²	57	92 Å²	92	35%	0.35	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	139.7	176.6	60.6	0	0	0	0	110.2	K29 K30 I32	T22-K29 WeakPolarHBondContact O-CB 3.37Å; T22-K29 PolarHBondContact O-N 3.28Å; T22-K30 PolarHBondContact N-O 2.92Å; T22-K30 PolarHBondContact O-N 3.27Å; T22-K30 WeakPolarHBondContact OG1-CB 3.46Å; T22-K30 PolarHBondContact OG1-N 2.71Å; T22-I32 HydrophobicContact CG2-CD1 4.34Å
23	L	88.1	Confident	84.3	Confident	107 Å²	107	83.9 Å²	83.9	56%	0.56	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.4	145.8	174.1	-57.6	177	0	0	0	110.2	W19 N27	W19-L23 HydrophobicContact CH2-CD2 3.63Å; W19-L23 HydrophobicContact CH2-CG 4.19Å; W19-L23 HydrophobicContact CZ3-CD2 4.15Å; L23-N27 CarbonylContact C-O 3.5Å; L23-N27 VanDerWaalsContact CA-O 3.29Å; L23-N27 WeakPolarHBondContact CA-O 3.29Å
24	E	85	Confident	85.6	Confident	100 Å²	100	78.6 Å²	78.6	47%	0.467	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	117.6	170.2	180	162.1	-129.4	0	0	107.5	E26 N27 K29	E24-E26 VanDerWaalsContact C-N 3.26Å; E24-E26 PolarHBondContact O-N 3.29Å; E24-N27 PolarHBondContact N-O 3.18Å; E24-N27 WeakPolarHBondContact O-CB 2.99Å; E24-N27 PolarHBondContact O-N 3.03Å; E24-K29 HydrophobicContact CB-CB 3.93Å; E24-K29 HydrophobicContact CB-CD 4.04Å; E24-K29 HydrophobicContact CB-CG 4.29Å; E24-K29 IonicContact OE1-NZ 3.52Å; E24-K29 PolarHBondContact OE1-NZ 2.92Å; E24-K29 WeakPolarHBondContact OE2-CD 3.14Å; E24-K29 VanDerWaalsContact OE2-CE 3.24Å; E24-K29 WeakPolarHBondContact OE2-CE 3.35Å; E24-K29 IonicContact OE2-NZ 3.15Å; E24-K29 PolarHBondContact OE2-NZ 3.34Å
25	N	87.9	Confident	86.2	Confident	146 Å²	146	75.3 Å²	75.3	78%	0.781	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	48.2	-171.2	-55.2	-27	0	0	0	112	N27	N25-N27 PolarHBondContact O-N 3.01Å; N25-N27 PolarHBondContact O-ND2 3.17Å
26	E	81.7	Confident	86.5	Confident	182 Å²	182	72.3 Å²	72.3	85%	0.85	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.3	-2.9	-177.2	-54.7	-177.1	164.5	0	0	115.6	E24	E24-E26 VanDerWaalsContact C-N 3.26Å; E24-E26 PolarHBondContact O-N 3.29Å
27	N	81.7	Confident	86.5	Confident	117 Å²	117	71 Å²	71	63%	0.626	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.1	147	175.6	-69	-60.1	0	0	0	111.1	L23 E24 N25 K29	L23-N27 CarbonylContact C-O 3.5Å; L23-N27 VanDerWaalsContact CA-O 3.29Å; L23-N27 WeakPolarHBondContact CA-O 3.29Å; E24-N27 PolarHBondContact N-O 3.18Å; E24-N27 WeakPolarHBondContact O-CB 2.99Å; E24-N27 PolarHBondContact O-N 3.03Å; N25-N27 PolarHBondContact O-N 3.01Å; N25-N27 PolarHBondContact O-ND2 3.17Å; N27-K29 PolarHBondContact O-N 2.99Å
28	Q	83.1	Confident	86.1	Confident	116 Å²	116	69.1 Å²	69.1	54%	0.542	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	108.9	178.9	-179.1	-115.7	-68.6	0	0	111.1	W19 I31	W19-Q28 HydrophobicContact CZ2-CG 3.79Å; Q28-I31 HydrophobicContact CG-CG1 4.14Å
29	K	82.7	Confident	85.5	Confident	119 Å²	119	69.2 Å²	69.2	52%	0.517	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	-48.8	174.9	-175	-175.2	-167.5	132.5	0	111.7	T22 E24 N27	T22-K29 WeakPolarHBondContact O-CB 3.37Å; T22-K29 PolarHBondContact O-N 3.28Å; E24-K29 HydrophobicContact CB-CB 3.93Å; E24-K29 HydrophobicContact CB-CD 4.04Å; E24-K29 HydrophobicContact CB-CG 4.29Å; E24-K29 IonicContact OE1-NZ 3.52Å; E24-K29 PolarHBondContact OE1-NZ 2.92Å; E24-K29 WeakPolarHBondContact OE2-CD 3.14Å; E24-K29 VanDerWaalsContact OE2-CE 3.24Å; E24-K29 WeakPolarHBondContact OE2-CE 3.35Å; E24-K29 IonicContact OE2-NZ 3.15Å; E24-K29 PolarHBondContact OE2-NZ 3.34Å; N27-K29 PolarHBondContact O-N 2.99Å
30	K	83.7	Confident	84.6	Confident	109 Å²	109	66.2 Å²	66.2	47%	0.474	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	133.5	-175.4	-174.2	-177.9	176.8	-176.3	0	111.1	G21 T22	G21-K30 CarbonylContact C-O 3.37Å; G21-K30 WeakPolarHBondContact CA-O 3.16Å; T22-K30 PolarHBondContact N-O 2.92Å; T22-K30 PolarHBondContact O-N 3.27Å; T22-K30 WeakPolarHBondContact OG1-CB 3.46Å; T22-K30 PolarHBondContact OG1-N 2.71Å
31	I	84.1	Confident	83.7	Confident	71 Å²	71	68.2 Å²	68.2	36%	0.364	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	127.6	170.1	-52.5	-173.4	0	0	0	108.6	Q28 A34	Q28-I31 HydrophobicContact CG-CG1 4.14Å; I31-A34 HydrophobicContact CG2-CB 4.45Å
32	I	84.2	Confident	82.8	Confident	68 Å²	68	68.2 Å²	68.2	35%	0.349	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	-40.7	173.4	-63.6	169.3	0	0	0	109.5	I20 T22 P88	I20-I32 HydrophobicContact CG2-CB 4.2Å; I20-I32 HydrophobicContact CG2-CG2 4.37Å; I20-I32 WeakPolarHBondContact O-CA 3.39Å; I20-I32 WeakPolarHBondContact O-CB 3.43Å; I20-I32 PolarHBondContact O-N 3.48Å; T22-I32 HydrophobicContact CG2-CD1 4.34Å; I32-P88 HydrophobicContact CG2-CB 3.9Å; I32-P88 HydrophobicContact CG2-CG 4.13Å
33	G	87.5	Confident	81.9	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	151.3	177.7	0	0	0	0	0	112.7	I20 Y86	I20-G33 PolarHBondContact N-O 2.77Å; I20-G33 PolarHBondContact O-N 3.2Å; G33-Y86 CarbonylContact C-O 3.45Å; G33-Y86 WeakPolarHBondContact CA-O 3.35Å
34	A	91.6	Very high	81.2	Confident	15 Å²	15	67 Å²	67	12%	0.124	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	142.6	171.6	0	0	0	0	0	111	S18 I31 I84 Y86	S18-A34 CarbonylContact O-C 3.52Å; S18-A34 VanDerWaalsContact O-CA 3.28Å; S18-A34 WeakPolarHBondContact O-CA 2.98Å; I31-A34 HydrophobicContact CG2-CB 4.45Å; A34-I84 HydrophobicContact CB-CG2 4.13Å; A34-Y86 PolarHBondContact N-O 2.94Å; A34-Y86 CarbonylContact O-C 3.53Å; A34-Y86 WeakPolarHBondContact O-CA 3.46Å; A34-Y86 PolarHBondContact O-N 2.94Å
35	A	91.1	Very high	80.6	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	137.2	169.1	0	0	0	0	0	110.1	C17 S18 L69 I71 F82 I84 Y85	C17-A35 CarbonylContact C-O 3.59Å; C17-A35 WeakPolarHBondContact CA-O 3.19Å; S18-A35 PolarHBondContact N-O 3.45Å; S18-A35 PolarHBondContact O-N 2.05Å; A35-L69 HydrophobicContact CB-CD1 3.84Å; A35-I71 HydrophobicContact CB-CD1 3.96Å; A35-F82 HydrophobicContact CB-CD1 4.1Å; A35-F82 HydrophobicContact CB-CE1 4.02Å; A35-I84 CarbonylContact C-O 3.55Å; A35-I84 WeakPolarHBondContact CA-O 3.05Å; A35-Y85 HydrophobicContact CB-CD2 4.09Å
36	C	91.1	Very high	79.7	Confident	15 Å²	15	65.4 Å²	65.4	10%	0.101	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	132.2	174.4	-68.7	0	0	0	0	109.7	V15 F16 C17 F82 L83 I84	V15-C36 HydrophobicContact CG1-CB 4.22Å; F16-C36 CarbonylContact O-C 3.55Å; F16-C36 VanDerWaalsContact O-CA 3.26Å; F16-C36 WeakPolarHBondContact O-CA 3.07Å; C17-C36 HydrophobicContact CB-CB 4.24Å; C17-C36 WeakPolarHBondContact CB-SG 3.41Å; C17-C36 WeakPolarHBondContact SG-CB 3.41Å; C17-C36 CovalentContact SG-SG 2.05Å; C17-C36 PolarHBondContact SG-SG 3.3Å; C36-F82 CarbonylContact O-C 3.58Å; C36-F82 WeakPolarHBondContact O-CA 3.37Å; C36-L83 HydrophobicContact CB-CB 4.16Å; C36-L83 PolarHBondContact O-N 3.07Å; C36-I84 HydrophobicContact CB-CB 4.07Å; C36-I84 HydrophobicContact CB-CG1 4.34Å; C36-I84 PolarHBondContact N-O 3.42Å; C36-I84 PolarHBondContact O-N 3.11Å
37	Y	85.3	Confident	79.3	Confident	10 Å²	10	61.3 Å²	61.3	4%	0.039	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	148.2	-178.5	53.7	-91	0	0	0	111.6	F16 Q39 P72 V75 F82	F16-Y37 HydrophobicContact CB-CD2 4.39Å; F16-Y37 HydrophobicContact CB-CE2 3.76Å; F16-Y37 HydrophobicContact CG-CE2 4.42Å; F16-Y37 PolarHBondContact N-O 3.26Å; F16-Y37 PolarHBondContact O-N 3.42Å; Y37-Q39 HydrophobicContact CD2-CB 4.21Å; Y37-Q39 HydrophobicContact CE2-CB 4.2Å; Y37-Q39 VanDerWaalsContact CE2-OE1 3.26Å; Y37-P72 VanDerWaalsContact OH-CD 3.31Å; Y37-P72 WeakPolarHBondContact OH-CD 3.36Å; Y37-P72 VanDerWaalsContact OH-CG 3.28Å; Y37-P72 WeakPolarHBondContact OH-CG 3.24Å; Y37-V75 HydrophobicContact CD2-CB 4.33Å; Y37-V75 HydrophobicContact CD2-CG1 4.03Å; Y37-V75 HydrophobicContact CD2-CG2 4.05Å; Y37-V75 HydrophobicContact CE1-CG2 4.34Å; Y37-V75 HydrophobicContact CE2-CG1 4.29Å; Y37-V75 HydrophobicContact CE2-CG2 3.9Å; Y37-V75 HydrophobicContact CG-CG2 4.36Å; Y37-F82 AromaticContact CD1-CD1 3.94Å; Y37-F82 HydrophobicContact CD1-CD1 3.94Å; Y37-F82 AromaticContact CD1-CE1 3.35Å; Y37-F82 HydrophobicContact CD1-CE1 3.35Å; Y37-F82 AromaticContact CD1-CZ 3.9Å; Y37-F82 HydrophobicContact CD1-CZ 3.9Å; Y37-F82 HydrophobicContact CE1-CE1 4.17Å; Y37-F82 HydrophobicContact CG-CD1 4.4Å; Y37-F82 AromaticContact CG-CE1 3.99Å; Y37-F82 HydrophobicContact CG-CE1 3.99Å; Y37-F82 HydrophobicContact CG-CZ 4.25Å
38	P	80.7	Confident	79	Confident	40 Å²	40	59.7 Å²	59.7	26%	0.26	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	120.4	177.3	32.5	-32	0	0	0	111.1	K13 D14 D81	K13-P38 HydrophobicContact CB-CB 4.05Å; K13-P38 HydrophobicContact CD-CB 3.94Å; D14-P38 WeakPolarHBondContact O-CA 2.96Å; P38-D81 WeakPolarHBondContact CD-O 3.24Å
39	Q	74.2	Confident	78.5	Confident	29 Å²	29	59.6 Å²	59.6	14%	0.136	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	159	176.5	-172.5	166.4	-8.8	0	0	110.5	K13 D14 F16 Y37	K13-Q39 CarbonylContact C-O 3.38Å; K13-Q39 WeakPolarHBondContact CA-O 3.03Å; D14-Q39 PolarHBondContact N-O 2.81Å; D14-Q39 PolarHBondContact O-N 3.38Å; D14-Q39 VanDerWaalsContact O-O 3.08Å; F16-Q39 HydrophobicContact CD2-CB 3.73Å; F16-Q39 HydrophobicContact CE2-CB 3.88Å; Y37-Q39 HydrophobicContact CD2-CB 4.21Å; Y37-Q39 HydrophobicContact CE2-CB 4.2Å; Y37-Q39 VanDerWaalsContact CE2-OE1 3.26Å
40	G	69.6	Low	77.9	Confident	39 Å²	39	57.4 Å²	57.4	40%	0.402	32%	0.323	S	S	.	.			trans	-66	152.6	168.8	0	0	0	0	0	110.4	M42	G40-M42 PolarHBondContact O-N 2.98Å
41	A	69.2	Low	77.5	Confident	70 Å²	70	56 Å²	56	58%	0.579	33%	0.332	S	S	*	.			trans	-45.4	125.2	178.6	0	0	0	0	0	111.6	D14	D14-A41 WeakPolarHBondContact OD2-CA 3.18Å; D14-A41 WeakPolarHBondContact OD2-CB 3.47Å
42	M	67.4	Low	77.2	Confident	23 Å²	23	59.2 Å²	59.2	11%	0.113	35%	0.35	C	S	.	.			trans	-72.6	136.6	176.8	-173.5	173.6	-72.6	0	0	108.2	F16 G40 A44 E46 E47 L50	F16-M42 HydrophobicContact CE1-CB 3.96Å; F16-M42 HydrophobicContact CE1-CE 4.35Å; F16-M42 HydrophobicContact CZ-CB 3.81Å; G40-M42 PolarHBondContact O-N 2.98Å; M42-A44 PolarHBondContact O-N 3.47Å; M42-E46 HydrophobicContact CG-CB 3.56Å; M42-E46 HydrophobicContact SD-CB 3.78Å; M42-E47 HydrophobicContact CB-CG 3.99Å; M42-E47 HydrophobicContact CG-CG 3.86Å; M42-E47 HydrophobicContact SD-CG 3.73Å; M42-L50 HydrophobicContact CE-CD1 3.83Å; M42-L50 HydrophobicContact SD-CD1 3.47Å; M42-L50 WeakPolarHBondContact SD-CD1 3.49Å
43	P	70.1	Confident	76.6	Confident	70 Å²	70	59.6 Å²	59.6	46%	0.455	35%	0.352	S	S	.	.			trans	-59.6	137.9	171.5	-18.8	31	0	0	0	109.7	E45 E46 E47	P43-E45 PolarHBondContact O-N 2.66Å; P43-E46 PolarHBondContact O-N 2.74Å; P43-E47 PolarHBondContact O-N 2.86Å
44	A	73.2	Confident	76.2	Confident	68 Å²	68	64 Å²	64	56%	0.562	38%	0.375	S	S	*	.	H	α-helix	trans	-52.5	-30.2	179.2	0	0	0	0	0	113.3	M42 E46 E47 T48	M42-A44 PolarHBondContact O-N 3.47Å; A44-E46 PolarHBondContact O-N 3.04Å; A44-E47 PolarHBondContact O-N 3.44Å; A44-T48 PolarHBondContact O-N 3.07Å; A44-T48 PolarHBondContact O-OG1 3.32Å
45	E	72.3	Confident	75.4	Confident	128 Å²	128	66.3 Å²	66.3	60%	0.598	39%	0.385	S	S	*	.	H	α-helix	trans	-64.7	-36.1	175.5	-161.2	-165.7	144.5	0	0	113.1	P43 K49	P43-E45 PolarHBondContact O-N 2.66Å; E45-K49 WeakPolarHBondContact O-CG 3.4Å; E45-K49 PolarHBondContact O-N 3.39Å; E45-K49 VanDerWaalsContact O-N 3.09Å; E45-K49 WeakPolarHBondContact OE1-CE 3.38Å; E45-K49 IonicContact OE1-NZ 2.56Å; E45-K49 PolarHBondContact OE1-NZ 3.15Å
46	E	70.3	Confident	74.7	Confident	84 Å²	84	70.3 Å²	70.3	39%	0.393	41%	0.413	S	S	.	.	H	α-helix	trans	-73.6	-37.9	175.3	-76.8	-175.6	-179.6	0	0	111.4	M42 P43 A44 T48 K49 L50	M42-E46 HydrophobicContact CG-CB 3.56Å; M42-E46 HydrophobicContact SD-CB 3.78Å; P43-E46 PolarHBondContact O-N 2.74Å; A44-E46 PolarHBondContact O-N 3.04Å; E46-T48 VanDerWaalsContact C-N 3.3Å; E46-T48 PolarHBondContact O-N 3.32Å; E46-K49 PolarHBondContact O-N 2.02Å; E46-L50 PolarHBondContact O-N 3.02Å
47	E	72.1	Confident	73.9	Confident	96 Å²	96	77.9 Å²	77.9	45%	0.449	44%	0.439	S	S	.	.	H	α-helix	trans	-61.4	-40.7	173.7	-64	-177.2	164.3	0	0	111.3	M42 P43 A44 L50 A51	M42-E47 HydrophobicContact CB-CG 3.99Å; M42-E47 HydrophobicContact CG-CG 3.86Å; M42-E47 HydrophobicContact SD-CG 3.73Å; P43-E47 PolarHBondContact O-N 2.86Å; A44-E47 PolarHBondContact O-N 3.44Å; E47-L50 WeakPolarHBondContact O-CB 3.36Å; E47-L50 PolarHBondContact O-N 3.05Å; E47-A51 PolarHBondContact O-N 3.05Å
48	T	76.4	Confident	73.2	Confident	83 Å²	83	82.3 Å²	82.3	51%	0.509	46%	0.46	S	S	.	.	H	α-helix	trans	-65.4	-42.3	176.6	-44.3	0	0	0	0	110.9	A44 E46 L50 A51 D52	A44-T48 PolarHBondContact O-N 3.07Å; A44-T48 PolarHBondContact O-OG1 3.32Å; E46-T48 VanDerWaalsContact C-N 3.3Å; E46-T48 PolarHBondContact O-N 3.32Å; T48-L50 VanDerWaalsContact C-N 3.3Å; T48-L50 PolarHBondContact O-N 3.21Å; T48-A51 WeakPolarHBondContact O-CB 3.47Å; T48-A51 PolarHBondContact O-N 3.19Å; T48-A51 VanDerWaalsContact O-N 3.14Å; T48-D52 PolarHBondContact O-N 3.29Å
49	K	72	Confident	72.9	Confident	115 Å²	115	82.2 Å²	82.2	50%	0.5	46%	0.455	S	S	.	.	H	α-helix	trans	-61.5	-38.7	174.6	-75.2	170.8	-171.6	163.4	0	112.1	E45 E46 A51 D52 I53	E45-K49 WeakPolarHBondContact O-CG 3.4Å; E45-K49 PolarHBondContact O-N 3.39Å; E45-K49 VanDerWaalsContact O-N 3.09Å; E45-K49 WeakPolarHBondContact OE1-CE 3.38Å; E45-K49 IonicContact OE1-NZ 2.56Å; E45-K49 PolarHBondContact OE1-NZ 3.15Å; E46-K49 PolarHBondContact O-N 2.02Å; K49-A51 VanDerWaalsContact C-N 3.31Å; K49-D52 PolarHBondContact O-N 2.97Å; K49-I53 VanDerWaalsContact O-CG1 3.29Å; K49-I53 WeakPolarHBondContact O-CG1 3.34Å
50	L	70.6	Confident	73	Confident	72 Å²	72	84.5 Å²	84.5	38%	0.377	47%	0.466	S	S	.	.	H	α-helix	trans	-64.1	-36	175.1	-89.4	150.5	0	0	0	112.5	M42 E46 E47 T48 D52 I53	M42-L50 HydrophobicContact CE-CD1 3.83Å; M42-L50 HydrophobicContact SD-CD1 3.47Å; M42-L50 WeakPolarHBondContact SD-CD1 3.49Å; E46-L50 PolarHBondContact O-N 3.02Å; E47-L50 WeakPolarHBondContact O-CB 3.36Å; E47-L50 PolarHBondContact O-N 3.05Å; T48-L50 VanDerWaalsContact C-N 3.3Å; T48-L50 PolarHBondContact O-N 3.21Å; L50-D52 VanDerWaalsContact C-N 3.3Å; L50-D52 PolarHBondContact O-N 3.19Å; L50-I53 PolarHBondContact O-N 2.77Å
51	A	73.9	Confident	73.2	Confident	81 Å²	81	82.7 Å²	82.7	67%	0.669	45%	0.447	S	S	*	.	H	α-helix	trans	-67.2	-30.1	177.8	0	0	0	0	0	113.1	E47 T48 K49	E47-A51 PolarHBondContact O-N 3.05Å; T48-A51 WeakPolarHBondContact O-CB 3.47Å; T48-A51 PolarHBondContact O-N 3.19Å; T48-A51 VanDerWaalsContact O-N 3.14Å; K49-A51 VanDerWaalsContact C-N 3.31Å
52	D	77.9	Confident	72.9	Confident	138 Å²	138	80.3 Å²	80.3	74%	0.738	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-5.6	-179.2	-71	-24	0	0	0	113.9	T48 K49 L50	T48-D52 PolarHBondContact O-N 3.29Å; K49-D52 PolarHBondContact O-N 2.97Å; L50-D52 VanDerWaalsContact C-N 3.3Å; L50-D52 PolarHBondContact O-N 3.19Å
53	I	72.5	Confident	72.7	Confident	75 Å²	75	83.2 Å²	83.2	39%	0.385	45%	0.452	S	S	.	.	S	Bend	trans	-82.1	131	-179.7	-68	165.6	0	0	0	110.4	K49 L50 L55 E58	K49-I53 VanDerWaalsContact O-CG1 3.29Å; K49-I53 WeakPolarHBondContact O-CG1 3.34Å; L50-I53 PolarHBondContact O-N 2.77Å; I53-L55 VanDerWaalsContact C-N 3.27Å; I53-L55 HydrophobicContact CB-CD2 4.06Å; I53-L55 HydrophobicContact CG2-CD2 3.84Å; I53-L55 PolarHBondContact O-N 2.95Å; I53-E58 HydrophobicContact CG2-CB 4.15Å; I53-E58 HydrophobicContact CG2-CG 3.65Å
54	D	78	Confident	72.6	Confident	92 Å²	92	83.2 Å²	83.2	49%	0.492	45%	0.451	S	S	.	.			trans	-70.3	85	165.8	-178	-7.1	0	0	0	109.9	C56 R57 E58	D54-C56 PolarHBondContact O-N 2.98Å; D54-C56 PolarHBondContact OD1-N 3.43Å; D54-R57 HydrophobicContact CB-CB 4.21Å; D54-R57 VanDerWaalsContact CG-CB 3.49Å; D54-R57 PolarHBondContact O-N 2.86Å; D54-R57 PolarHBondContact OD1-N 2.92Å; D54-R57 VanDerWaalsContact OD1-N 3.12Å; D54-R57 WeakPolarHBondContact OD2-CB 3.33Å; D54-E58 WeakPolarHBondContact O-CG 3.27Å; D54-E58 PolarHBondContact O-N 3.41Å
55	L	75.8	Confident	72.4	Confident	64 Å²	64	82.2 Å²	82.2	34%	0.335	45%	0.447	S	S	.	.	H	α-helix	trans	-58.7	-36.4	-177.2	-55.5	179.3	0	0	0	111.8	I53 R57 W59	I53-L55 VanDerWaalsContact C-N 3.27Å; I53-L55 HydrophobicContact CB-CD2 4.06Å; I53-L55 HydrophobicContact CG2-CD2 3.84Å; I53-L55 PolarHBondContact O-N 2.95Å; L55-R57 VanDerWaalsContact C-N 3.32Å; L55-R57 PolarHBondContact O-N 3.47Å; L55-W59 HydrophobicContact CB-CD2 4.04Å; L55-W59 HydrophobicContact CB-CG 4.39Å; L55-W59 HydrophobicContact CB-CZ2 4.16Å; L55-W59 HydrophobicContact CD1-CH2 4.17Å; L55-W59 HydrophobicContact CD1-CZ2 3.9Å; L55-W59 HydrophobicContact CD2-CZ2 3.62Å; L55-W59 HydrophobicContact CG-CZ2 4.09Å; L55-W59 WeakPolarHBondContact O-CB 3.47Å; L55-W59 PolarHBondContact O-N 3.37Å
56	C	76.5	Confident	72.7	Confident	85 Å²	85	77.9 Å²	77.9	57%	0.574	43%	0.429	S	S	*	.	H	α-helix	trans	-61.5	-43.9	179.2	-68.6	0	0	0	0	111	D54 M60 H67	D54-C56 PolarHBondContact O-N 2.98Å; D54-C56 PolarHBondContact OD1-N 3.43Å; C56-M60 PolarHBondContact O-N 3.2Å; C56-H67 PolarHBondContact O-CD2 3.45Å; C56-H67 VanDerWaalsContact O-CD2 3.25Å; C56-H67 PolarHBondContact O-NE2 3.13Å; C56-H67 VanDerWaalsContact O-NE2 3.15Å
57	R	73.2	Confident	73.4	Confident	174 Å²	174	76.6 Å²	76.6	66%	0.657	42%	0.423	S	S	*	.	H	α-helix	trans	-74.2	-46	179.3	-167.1	178.4	-158.7	180	5.6	112.8	D54 L55 W59 M60	D54-R57 HydrophobicContact CB-CB 4.21Å; D54-R57 VanDerWaalsContact CG-CB 3.49Å; D54-R57 PolarHBondContact O-N 2.86Å; D54-R57 PolarHBondContact OD1-N 2.92Å; D54-R57 VanDerWaalsContact OD1-N 3.12Å; D54-R57 WeakPolarHBondContact OD2-CB 3.33Å; L55-R57 VanDerWaalsContact C-N 3.32Å; L55-R57 PolarHBondContact O-N 3.47Å; R57-W59 VanDerWaalsContact C-N 3.33Å; R57-W59 PolarHBondContact O-N 3.48Å; R57-M60 PolarHBondContact O-N 3.16Å
58	E	70.9	Confident	74.1	Confident	102 Å²	102	74.2 Å²	74.2	48%	0.477	41%	0.41	S	S	.	.	H	α-helix	trans	-68.2	-33.5	-177.6	-71.6	-58.7	140.7	0	0	112.2	I53 D54 M60	I53-E58 HydrophobicContact CG2-CB 4.15Å; I53-E58 HydrophobicContact CG2-CG 3.65Å; D54-E58 WeakPolarHBondContact O-CG 3.27Å; D54-E58 PolarHBondContact O-N 3.41Å; E58-M60 VanDerWaalsContact C-N 3.32Å
59	W	75.5	Confident	74.6	Confident	39 Å²	39	70.4 Å²	70.4	15%	0.148	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-5.4	-175	-58.3	10.6	0	0	0	112.3	I20 L55 R57 F61 H67 R68 V70	I20-W59 HydrophobicContact CD1-CE3 3.98Å; I20-W59 HydrophobicContact CD1-CZ3 4.09Å; I20-W59 HydrophobicContact CG1-CE3 4.43Å; I20-W59 HydrophobicContact CG1-CZ3 4.13Å; L55-W59 HydrophobicContact CB-CD2 4.04Å; L55-W59 HydrophobicContact CB-CG 4.39Å; L55-W59 HydrophobicContact CB-CZ2 4.16Å; L55-W59 HydrophobicContact CD1-CH2 4.17Å; L55-W59 HydrophobicContact CD1-CZ2 3.9Å; L55-W59 HydrophobicContact CD2-CZ2 3.62Å; L55-W59 HydrophobicContact CG-CZ2 4.09Å; L55-W59 WeakPolarHBondContact O-CB 3.47Å; L55-W59 PolarHBondContact O-N 3.37Å; R57-W59 VanDerWaalsContact C-N 3.33Å; R57-W59 PolarHBondContact O-N 3.48Å; W59-F61 PolarHBondContact O-N 3.11Å; W59-H67 HydrophobicContact CB-CB 4.33Å; W59-H67 CarbonylContact O-C 3.49Å; W59-H67 VanDerWaalsContact O-CA 3.28Å; W59-H67 WeakPolarHBondContact O-CA 3.45Å; W59-R68 VanDerWaalsContact CE3-O 3.22Å; W59-R68 WeakPolarHBondContact O-CG 3.36Å; W59-R68 PolarHBondContact O-N 3.07Å; W59-V70 VanDerWaalsContact CD1-CG2 3.48Å; W59-V70 HydrophobicContact CD2-CG2 3.93Å; W59-V70 HydrophobicContact CG-CG2 4.05Å; W59-V70 HydrophobicContact CH2-CB 4.38Å; W59-V70 HydrophobicContact CZ2-CB 3.67Å; W59-V70 HydrophobicContact CZ2-CG2 3.6Å
60	M	76.6	Confident	74.8	Confident	76 Å²	76	67.3 Å²	67.3	37%	0.374	38%	0.377	S	S	.	.	B	Isolated β-bridge	trans	-63.9	129.1	-179.1	-158.8	171.3	46.3	0	0	110.6	C56 R57 E58 G62	C56-M60 PolarHBondContact O-N 3.2Å; R57-M60 PolarHBondContact O-N 3.16Å; E58-M60 VanDerWaalsContact C-N 3.32Å; M60-G62 VanDerWaalsContact C-N 3.26Å; M60-G62 WeakPolarHBondContact CE-O 3.37Å; M60-G62 VanDerWaalsContact CG-O 3.28Å; M60-G62 WeakPolarHBondContact CG-O 3.48Å; M60-G62 PolarHBondContact O-N 3.11Å
61	F	72	Confident	75.3	Confident	2 Å²	2	64.7 Å²	64.7	1%	0.009	36%	0.363	C	S	.	.			trans	-79.6	78.2	176.9	-174.7	-117.7	0	0	0	109.3	W59 S63 T64 V66 T90 L115 Y230 T232	W59-F61 PolarHBondContact O-N 3.11Å; F61-S63 PolarHBondContact O-N 3.49Å; F61-T64 HydrophobicContact CD1-CG2 3.99Å; F61-T64 WeakPolarHBondContact CD1-OG1 3.36Å; F61-T64 HydrophobicContact CE1-CG2 4.48Å; F61-T64 WeakPolarHBondContact O-CB 3.41Å; F61-T64 WeakPolarHBondContact O-CG2 3.37Å; F61-T64 PolarHBondContact O-N 3.36Å; F61-T64 PolarHBondContact O-OG1 3.49Å; F61-V66 HydrophobicContact CB-CB 4.2Å; F61-V66 VanDerWaalsContact CB-O 3.25Å; F61-V66 WeakPolarHBondContact CB-O 3.44Å; F61-V66 PolarHBondContact N-O 3.17Å; F61-T90 HydrophobicContact CD1-CG2 3.69Å; F61-T90 HydrophobicContact CE1-CG2 3.36Å; F61-T90 HydrophobicContact CE2-CG2 4.45Å; F61-T90 HydrophobicContact CG-CG2 4.38Å; F61-T90 HydrophobicContact CZ-CG2 3.78Å; F61-L115 HydrophobicContact CB-CD2 4.04Å; F61-L115 HydrophobicContact CD1-CD2 3.94Å; F61-L115 HydrophobicContact CD2-CD2 3.26Å; F61-L115 HydrophobicContact CE1-CD2 4.17Å; F61-L115 HydrophobicContact CE2-CD2 3.51Å; F61-L115 HydrophobicContact CG-CD2 3.49Å; F61-L115 VanDerWaalsContact CG-CD2 3.49Å; F61-L115 HydrophobicContact CZ-CD2 3.97Å; F61-Y230 HydrophobicContact CD1-CD1 4.33Å; F61-Y230 HydrophobicContact CD2-CD1 4.45Å; F61-Y230 AromaticContact CE1-CD1 3.95Å; F61-Y230 HydrophobicContact CE1-CD1 3.95Å; F61-Y230 VanDerWaalsContact CE2-C 3.42Å; F61-Y230 VanDerWaalsContact CE2-CA 3.44Å; F61-Y230 HydrophobicContact CE2-CD1 4.12Å; F61-Y230 VanDerWaalsContact CE2-O 3.31Å; F61-Y230 WeakPolarHBondContact CE2-O 3.12Å; F61-Y230 AromaticContact CZ-CD1 3.85Å; F61-Y230 HydrophobicContact CZ-CD1 3.85Å; F61-Y230 HydrophobicContact CZ-CG 4.45Å; F61-Y230 WeakPolarHBondContact CZ-O 3.45Å; F61-T232 HydrophobicContact CE2-CG2 4.31Å; F61-T232 HydrophobicContact CZ-CG2 4.03Å
62	G	64.2	Low	75.4	Confident	20 Å²	20	61.9 Å²	61.9	21%	0.206	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.5	-129.5	-173.6	0	0	0	0	0	111.3	M60 Y230	M60-G62 VanDerWaalsContact C-N 3.26Å; M60-G62 WeakPolarHBondContact CE-O 3.37Å; M60-G62 VanDerWaalsContact CG-O 3.28Å; M60-G62 WeakPolarHBondContact CG-O 3.48Å; M60-G62 PolarHBondContact O-N 3.11Å; G62-Y230 WeakPolarHBondContact CA-OH 3.11Å
63	S	62.3	Low	75	Confident	84 Å²	84	59.3 Å²	59.3	59%	0.587	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	22.5	178.6	60.6	0	0	0	0	114.1	F61 Y230	F61-S63 PolarHBondContact O-N 3.49Å; S63-Y230 PolarHBondContact N-OH 3.33Å
64	T	68.8	Low	75	Confident	69 Å²	69	59.2 Å²	59.2	42%	0.423	33%	0.329	S	S	.	.	S	Bend	trans	-88.4	-12.9	-173.5	65.3	0	0	0	0	114.3	F61 V66	F61-T64 HydrophobicContact CD1-CG2 3.99Å; F61-T64 WeakPolarHBondContact CD1-OG1 3.36Å; F61-T64 HydrophobicContact CE1-CG2 4.48Å; F61-T64 WeakPolarHBondContact O-CB 3.41Å; F61-T64 WeakPolarHBondContact O-CG2 3.37Å; F61-T64 PolarHBondContact O-N 3.36Å; F61-T64 PolarHBondContact O-OG1 3.49Å; T64-V66 PolarHBondContact O-N 2.82Å; T64-V66 PolarHBondContact OG1-N 2.66Å
65	G	69	Low	75	Confident	48 Å²	48	55.5 Å²	55.5	50%	0.495	31%	0.31	S	S	.	.	S	Bend	trans	74.2	-4.1	-172.5	0	0	0	0	0	114.7	H67	G65-H67 PolarHBondContact O-CE1 2.91Å; G65-H67 PolarHBondContact O-ND1 3Å; G65-H67 VanDerWaalsContact O-ND1 3.07Å
66	V	78.7	Confident	75.4	Confident	36 Å²	36	52.9 Å²	52.9	22%	0.218	30%	0.297	C	S	.	.			trans	-78.6	142	171.1	-178.7	0	0	0	0	108.9	F61 T64 L115	F61-V66 HydrophobicContact CB-CB 4.2Å; F61-V66 VanDerWaalsContact CB-O 3.25Å; F61-V66 WeakPolarHBondContact CB-O 3.44Å; F61-V66 PolarHBondContact N-O 3.17Å; T64-V66 PolarHBondContact O-N 2.82Å; T64-V66 PolarHBondContact OG1-N 2.66Å; V66-L115 HydrophobicContact CG1-CD1 3.8Å
67	H	85.2	Confident	75.6	Confident	58 Å²	58	50 Å²	50	27%	0.269	28%	0.277	S	S	.	.	B	Isolated β-bridge	trans	-115.1	143.6	178.3	-62.3	70.5	0	0	0	110.5	I20 C56 W59 G65 P88	I20-H67 HydrophobicContact CD1-CB 4.4Å; C56-H67 PolarHBondContact O-CD2 3.45Å; C56-H67 VanDerWaalsContact O-CD2 3.25Å; C56-H67 PolarHBondContact O-NE2 3.13Å; C56-H67 VanDerWaalsContact O-NE2 3.15Å; W59-H67 HydrophobicContact CB-CB 4.33Å; W59-H67 CarbonylContact O-C 3.49Å; W59-H67 VanDerWaalsContact O-CA 3.28Å; W59-H67 WeakPolarHBondContact O-CA 3.45Å; G65-H67 PolarHBondContact O-CE1 2.91Å; G65-H67 PolarHBondContact O-ND1 3Å; G65-H67 VanDerWaalsContact O-ND1 3.07Å; H67-P88 WeakPolarHBondContact O-CB 3.4Å; H67-P88 WeakPolarHBondContact O-CG 3.37Å
68	R	86	Confident	75.9	Confident	46 Å²	46	45.7 Å²	45.7	17%	0.174	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-91.4	155.2	177.5	-38.7	178.8	-150.6	-142.8	-3.6	110.5	I20 W59 L115 P229	I20-R68 WeakPolarHBondContact CD1-O 3.47Å; W59-R68 VanDerWaalsContact CE3-O 3.22Å; W59-R68 WeakPolarHBondContact O-CG 3.36Å; W59-R68 PolarHBondContact O-N 3.07Å; R68-L115 HydrophobicContact CB-CB 4.4Å; R68-L115 HydrophobicContact CB-CD1 4.39Å; R68-L115 HydrophobicContact CG-CB 4.24Å; R68-L115 HydrophobicContact CG-CD1 4.22Å; R68-L115 HydrophobicContact CG-CD2 4.14Å; R68-L115 HydrophobicContact CG-CG 4.45Å; R68-P229 PolarHBondContact NH1-O 2.91Å; R68-P229 PolarHBondContact NH2-O 3.48Å
69	L	87	Confident	76.2	Confident	2 Å²	2	45.3 Å²	45.3	1%	0.01	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-73	132.8	160.7	-67.1	168.4	0	0	0	109.1	I20 A35 I71 P87 P88 G114	I20-L69 HydrophobicContact CD1-CD2 3.7Å; I20-L69 HydrophobicContact CD1-CG 4.19Å; I20-L69 HydrophobicContact CG1-CD2 3.84Å; A35-L69 HydrophobicContact CB-CD1 3.84Å; L69-I71 HydrophobicContact CB-CD1 4.1Å; L69-I71 PolarHBondContact O-N 3.43Å; L69-P87 HydrophobicContact CD1-CB 4.39Å; L69-P88 HydrophobicContact CG-CG 4.49Å; L69-G114 PolarHBondContact N-O 3.44Å; L69-G114 WeakPolarHBondContact O-CA 3.41Å
70	V	76	Confident	76.3	Confident	50 Å²	50	44.8 Å²	44.8	30%	0.303	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-70.6	119.3	167.2	160.6	0	0	0	0	109.5	W59	W59-V70 VanDerWaalsContact CD1-CG2 3.48Å; W59-V70 HydrophobicContact CD2-CG2 3.93Å; W59-V70 HydrophobicContact CG-CG2 4.05Å; W59-V70 HydrophobicContact CH2-CB 4.38Å; W59-V70 HydrophobicContact CZ2-CB 3.67Å; W59-V70 HydrophobicContact CZ2-CG2 3.6Å
71	I	80.8	Confident	76.4	Confident	17 Å²	17	47.9 Å²	47.9	9%	0.087	28%	0.281	C	S	.	.			trans	-114.4	107.8	172.3	-51	-59.6	0	0	0	106.8	A35 L69 S73 V75 F82 Y85 R112	A35-I71 HydrophobicContact CB-CD1 3.96Å; L69-I71 HydrophobicContact CB-CD1 4.1Å; L69-I71 PolarHBondContact O-N 3.43Å; I71-S73 PolarHBondContact O-N 2.86Å; I71-V75 HydrophobicContact CG2-CG2 4.11Å; I71-F82 HydrophobicContact CD1-CE1 3.97Å; I71-F82 HydrophobicContact CD1-CZ 4.28Å; I71-F82 HydrophobicContact CG2-CE1 4.48Å; I71-F82 HydrophobicContact CG2-CZ 3.78Å; I71-Y85 HydrophobicContact CD1-CD2 4.33Å; I71-Y85 HydrophobicContact CD1-CE2 3.77Å; I71-Y85 HydrophobicContact CG1-CE2 4.13Å; I71-R112 HydrophobicContact CG2-CB 4.43Å
72	P	76.6	Confident	77	Confident	23 Å²	23	49.2 Å²	49.2	15%	0.149	29%	0.287	C	S	.	.			trans	-55.5	140.9	178.9	-23.9	31.4	0	0	0	111.1	Y37 Q74 V75 S76	Y37-P72 VanDerWaalsContact OH-CD 3.31Å; Y37-P72 WeakPolarHBondContact OH-CD 3.36Å; Y37-P72 VanDerWaalsContact OH-CG 3.28Å; Y37-P72 WeakPolarHBondContact OH-CG 3.24Å; P72-Q74 PolarHBondContact O-N 3.02Å; P72-V75 HydrophobicContact CB-CG2 4.03Å; P72-V75 HydrophobicContact CG-CG2 4.11Å; P72-V75 VanDerWaalsContact O-CG2 3.31Å; P72-V75 WeakPolarHBondContact O-CG2 3.34Å; P72-V75 PolarHBondContact O-N 3.42Å; P72-S76 PolarHBondContact O-N 3.02Å
73	S	70.4	Confident	78.1	Confident	83 Å²	83	53.6 Å²	53.6	58%	0.58	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-23.4	-179	60.6	0	0	0	0	113.5	I71 V75 S76	I71-S73 PolarHBondContact O-N 2.86Å; S73-V75 VanDerWaalsContact C-N 3.3Å; S73-V75 PolarHBondContact O-N 3.26Å; S73-S76 PolarHBondContact O-OG 3.32Å
74	Q	71.3	Confident	79.4	Confident	74 Å²	74	53.5 Å²	53.5	35%	0.346	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-24	178.3	-47.4	116.9	16.4	0	0	113.4	P72	P72-Q74 PolarHBondContact O-N 3.02Å
75	V	79	Confident	80.3	Confident	13 Å²	13	52.8 Å²	52.8	8%	0.079	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123	-0.2	-175.7	-63.9	0	0	0	0	112.7	Y37 I71 P72 S73 T77 T80 F82	Y37-V75 HydrophobicContact CD2-CB 4.33Å; Y37-V75 HydrophobicContact CD2-CG1 4.03Å; Y37-V75 HydrophobicContact CD2-CG2 4.05Å; Y37-V75 HydrophobicContact CE1-CG2 4.34Å; Y37-V75 HydrophobicContact CE2-CG1 4.29Å; Y37-V75 HydrophobicContact CE2-CG2 3.9Å; Y37-V75 HydrophobicContact CG-CG2 4.36Å; I71-V75 HydrophobicContact CG2-CG2 4.11Å; P72-V75 HydrophobicContact CB-CG2 4.03Å; P72-V75 HydrophobicContact CG-CG2 4.11Å; P72-V75 VanDerWaalsContact O-CG2 3.31Å; P72-V75 WeakPolarHBondContact O-CG2 3.34Å; P72-V75 PolarHBondContact O-N 3.42Å; S73-V75 VanDerWaalsContact C-N 3.3Å; S73-V75 PolarHBondContact O-N 3.26Å; V75-T77 PolarHBondContact O-N 3.12Å; V75-T80 HydrophobicContact CB-CG2 4.04Å; V75-T80 HydrophobicContact CG1-CG2 4.38Å; V75-T80 WeakPolarHBondContact O-CB 3.19Å; V75-T80 PolarHBondContact O-OG1 3.45Å; V75-F82 HydrophobicContact CG2-CZ 4.33Å; V75-F82 VanDerWaalsContact O-CE2 3.31Å; V75-F82 WeakPolarHBondContact O-CE2 3.12Å
76	S	82.7	Confident	81.2	Confident	9 Å²	9	55.2 Å²	55.2	6%	0.063	28%	0.282	C	S	.	.			trans	-71.3	-12.7	-176.2	68.2	0	0	0	0	114.4	P72 S73 R111 R112	P72-S76 PolarHBondContact O-N 3.02Å; S73-S76 PolarHBondContact O-OG 3.32Å; S76-R111 CarbonylContact O-C 3.51Å; S76-R111 WeakPolarHBondContact O-CA 3.24Å; S76-R112 WeakPolarHBondContact O-CB 3.38Å; S76-R112 PolarHBondContact O-N 3.47Å
77	T	80.5	Confident	81.8	Confident	26 Å²	26	53.8 Å²	53.8	16%	0.16	27%	0.273	C	S	.	.	S	Bend	trans	-68.8	144.1	179.8	55	0	0	0	0	111.8	V75 N79 T80 R112	V75-T77 PolarHBondContact O-N 3.12Å; T77-N79 WeakPolarHBondContact CB-OD1 3.49Å; T77-N79 PolarHBondContact O-N 2.55Å; T77-N79 VanDerWaalsContact O-N 3.17Å; T77-N79 PolarHBondContact OG1-OD1 3.14Å; T77-T80 WeakPolarHBondContact O-CB 3.37Å; T77-T80 PolarHBondContact O-N 3.12Å; T77-T80 PolarHBondContact O-OG1 3.2Å; T77-T80 PolarHBondContact OG1-OG1 3.12Å; T77-T80 VanDerWaalsContact OG1-OG1 3.07Å; T77-R112 PolarHBondContact O-NH1 3.22Å
78	W	81.4	Confident	81.9	Confident	83 Å²	83	51.1 Å²	51.1	31%	0.314	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-23.3	-177.1	-72.7	100.5	0	0	0	114.9	T80 Y85 V107 N108 R112 D233	W78-T80 PolarHBondContact O-N 2.88Å; W78-Y85 HydrophobicContact CH2-CE1 4.26Å; W78-Y85 HydrophobicContact CZ3-CE1 4.37Å; W78-V107 HydrophobicContact CD2-CG1 3.52Å; W78-V107 HydrophobicContact CE3-CG1 4.08Å; W78-V107 HydrophobicContact CG-CG1 3.91Å; W78-V107 HydrophobicContact CH2-CG1 4.13Å; W78-V107 HydrophobicContact CZ2-CG1 3.56Å; W78-V107 HydrophobicContact CZ3-CG1 4.36Å; W78-N108 VanDerWaalsContact CD1-O 3.31Å; W78-N108 PolarHBondContact NE1-O 3.39Å; W78-R112 HydrophobicContact CD2-CG 3.82Å; W78-R112 HydrophobicContact CE3-CG 3.91Å; W78-R112 VanDerWaalsContact CE3-NE 3.29Å; W78-R112 HydrophobicContact CH2-CG 3.78Å; W78-R112 HydrophobicContact CZ2-CG 3.7Å; W78-R112 HydrophobicContact CZ3-CG 3.88Å; W78-R112 PolarHBondContact O-NH1 3.12Å; W78-R112 PolarHBondContact O-NH2 3.2Å; W78-D233 HydrophobicContact CH2-CB 4.02Å; W78-D233 HydrophobicContact CZ2-CB 3.95Å
79	N	76	Confident	81.9	Confident	93 Å²	93	49.7 Å²	49.7	50%	0.497	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-5.1	174.6	66.9	-2.7	0	0	0	114.3	T77	T77-N79 WeakPolarHBondContact CB-OD1 3.49Å; T77-N79 PolarHBondContact O-N 2.55Å; T77-N79 VanDerWaalsContact O-N 3.17Å; T77-N79 PolarHBondContact OG1-OD1 3.14Å
80	T	77.8	Confident	81.6	Confident	29 Å²	29	50.9 Å²	50.9	18%	0.178	27%	0.266	C	S	.	.	S	Bend	trans	-75.9	128.8	173.7	-57.8	0	0	0	0	109.8	V75 T77 W78 F82 R112	V75-T80 HydrophobicContact CB-CG2 4.04Å; V75-T80 HydrophobicContact CG1-CG2 4.38Å; V75-T80 WeakPolarHBondContact O-CB 3.19Å; V75-T80 PolarHBondContact O-OG1 3.45Å; T77-T80 WeakPolarHBondContact O-CB 3.37Å; T77-T80 PolarHBondContact O-N 3.12Å; T77-T80 PolarHBondContact O-OG1 3.2Å; T77-T80 PolarHBondContact OG1-OG1 3.12Å; T77-T80 VanDerWaalsContact OG1-OG1 3.07Å; W78-T80 PolarHBondContact O-N 2.88Å; T80-F82 HydrophobicContact CG2-CD2 4.08Å; T80-F82 HydrophobicContact CG2-CE2 3.84Å; T80-F82 PolarHBondContact O-N 3.04Å; T80-R112 PolarHBondContact O-NH1 3.39Å
81	D	79.4	Confident	81.6	Confident	140 Å²	140	50.8 Å²	50.8	75%	0.749	26%	0.264	S	S	*	.			trans	-77.5	100.1	175.7	-67.4	-34.8	0	0	0	110.3	P38	P38-D81 WeakPolarHBondContact CD-O 3.24Å
82	F	84.8	Confident	81.1	Confident	30 Å²	30	57.6 Å²	57.6	13%	0.132	30%	0.296	C	S	.	.			trans	-81.2	135.6	168.3	-80.7	-111.7	0	0	0	109	A35 C36 Y37 I71 V75 T80 I84 Y85	A35-F82 HydrophobicContact CB-CD1 4.1Å; A35-F82 HydrophobicContact CB-CE1 4.02Å; C36-F82 CarbonylContact O-C 3.58Å; C36-F82 WeakPolarHBondContact O-CA 3.37Å; Y37-F82 AromaticContact CD1-CD1 3.94Å; Y37-F82 HydrophobicContact CD1-CD1 3.94Å; Y37-F82 AromaticContact CD1-CE1 3.35Å; Y37-F82 HydrophobicContact CD1-CE1 3.35Å; Y37-F82 AromaticContact CD1-CZ 3.9Å; Y37-F82 HydrophobicContact CD1-CZ 3.9Å; Y37-F82 HydrophobicContact CE1-CE1 4.17Å; Y37-F82 HydrophobicContact CG-CD1 4.4Å; Y37-F82 AromaticContact CG-CE1 3.99Å; Y37-F82 HydrophobicContact CG-CE1 3.99Å; Y37-F82 HydrophobicContact CG-CZ 4.25Å; I71-F82 HydrophobicContact CD1-CE1 3.97Å; I71-F82 HydrophobicContact CD1-CZ 4.28Å; I71-F82 HydrophobicContact CG2-CE1 4.48Å; I71-F82 HydrophobicContact CG2-CZ 3.78Å; V75-F82 HydrophobicContact CG2-CZ 4.33Å; V75-F82 VanDerWaalsContact O-CE2 3.31Å; V75-F82 WeakPolarHBondContact O-CE2 3.12Å; T80-F82 HydrophobicContact CG2-CD2 4.08Å; T80-F82 HydrophobicContact CG2-CE2 3.84Å; T80-F82 PolarHBondContact O-N 3.04Å; F82-I84 VanDerWaalsContact C-N 3.31Å; F82-I84 WeakPolarHBondContact CD1-O 3.48Å; F82-Y85 AromaticContact CD1-CD2 3.79Å; F82-Y85 HydrophobicContact CD1-CD2 3.79Å; F82-Y85 HydrophobicContact CD1-CG 4.29Å; F82-Y85 AromaticContact CE1-CD2 3.91Å; F82-Y85 HydrophobicContact CE1-CD2 3.91Å; F82-Y85 HydrophobicContact CG-CD2 4.3Å; F82-Y85 HydrophobicContact CG-CG 4.42Å
83	L	86.7	Confident	80.8	Confident	112 Å²	112	62.9 Å²	62.9	59%	0.586	32%	0.318	S	S	*	.	S	Bend	trans	-69	-37.8	169	-59.3	176.8	0	0	0	110.2	V15 C36	V15-L83 HydrophobicContact CB-CD1 4.45Å; V15-L83 HydrophobicContact CG1-CD1 3.69Å; V15-L83 HydrophobicContact CG2-CD1 3.84Å; C36-L83 HydrophobicContact CB-CB 4.16Å; C36-L83 PolarHBondContact O-N 3.07Å
84	I	88.4	Confident	80.7	Confident	83 Å²	83	59.5 Å²	59.5	43%	0.426	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	130.7	174	-59.8	177.3	0	0	0	106.9	A34 A35 C36 F82	A34-I84 HydrophobicContact CB-CG2 4.13Å; A35-I84 CarbonylContact C-O 3.55Å; A35-I84 WeakPolarHBondContact CA-O 3.05Å; C36-I84 HydrophobicContact CB-CB 4.07Å; C36-I84 HydrophobicContact CB-CG1 4.34Å; C36-I84 PolarHBondContact N-O 3.42Å; C36-I84 PolarHBondContact O-N 3.11Å; F82-I84 VanDerWaalsContact C-N 3.31Å; F82-I84 WeakPolarHBondContact CD1-O 3.48Å
85	Y	89.5	Confident	80.3	Confident	54 Å²	54	60.9 Å²	60.9	21%	0.212	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	96.6	167.6	-172.7	-110.8	0	0	0	109.7	A35 I71 W78 F82 P87 R112 G114 D233	A35-Y85 HydrophobicContact CB-CD2 4.09Å; I71-Y85 HydrophobicContact CD1-CD2 4.33Å; I71-Y85 HydrophobicContact CD1-CE2 3.77Å; I71-Y85 HydrophobicContact CG1-CE2 4.13Å; W78-Y85 HydrophobicContact CH2-CE1 4.26Å; W78-Y85 HydrophobicContact CZ3-CE1 4.37Å; F82-Y85 AromaticContact CD1-CD2 3.79Å; F82-Y85 HydrophobicContact CD1-CD2 3.79Å; F82-Y85 HydrophobicContact CD1-CG 4.29Å; F82-Y85 AromaticContact CE1-CD2 3.91Å; F82-Y85 HydrophobicContact CE1-CD2 3.91Å; F82-Y85 HydrophobicContact CG-CD2 4.3Å; F82-Y85 HydrophobicContact CG-CG 4.42Å; Y85-P87 HydrophobicContact CD1-CG 4.36Å; Y85-P87 HydrophobicContact CE1-CB 4.49Å; Y85-P87 HydrophobicContact CE1-CG 3.77Å; Y85-R112 HydrophobicContact CE1-CG 4.04Å; Y85-R112 HydrophobicContact CE2-CB 4.3Å; Y85-R112 HydrophobicContact CE2-CG 4.44Å; Y85-R112 WeakPolarHBondContact OH-CB 3.49Å; Y85-G114 WeakPolarHBondContact OH-CA 3.45Å; Y85-G114 PolarHBondContact OH-N 2.92Å; Y85-D233 VanDerWaalsContact CE1-OD2 3.23Å; Y85-D233 WeakPolarHBondContact CE1-OD2 3.42Å; Y85-D233 VanDerWaalsContact CZ-OD2 3.3Å; Y85-D233 PolarHBondContact OH-OD1 2.89Å; Y85-D233 PolarHBondContact OH-OD2 3.36Å
86	Y	87.8	Confident	79.7	Confident	99 Å²	99	64 Å²	64	39%	0.388	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	78	-178.9	-172.7	-95.8	0	0	0	108.2	G33 A34	G33-Y86 CarbonylContact C-O 3.45Å; G33-Y86 WeakPolarHBondContact CA-O 3.35Å; A34-Y86 PolarHBondContact N-O 2.94Å; A34-Y86 CarbonylContact O-C 3.53Å; A34-Y86 WeakPolarHBondContact O-CA 3.46Å; A34-Y86 PolarHBondContact O-N 2.94Å
87	P	90.4	Very high	78.7	Confident	5 Å²	5	67.6 Å²	67.6	3%	0.032	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-68.9	151	-179.1	27.6	-36.1	0	0	0	112.6	L69 Y85 R100 G114 V116	L69-P87 HydrophobicContact CD1-CB 4.39Å; Y85-P87 HydrophobicContact CD1-CG 4.36Å; Y85-P87 HydrophobicContact CE1-CB 4.49Å; Y85-P87 HydrophobicContact CE1-CG 3.77Å; P87-R100 VanDerWaalsContact O-CZ 3.29Å; P87-R100 PolarHBondContact O-NH1 2.99Å; P87-R100 PolarHBondContact O-NH2 3.21Å; P87-G114 VanDerWaalsContact CB-C 3.41Å; P87-G114 WeakPolarHBondContact CB-O 3.41Å; P87-V116 HydrophobicContact CB-CG1 4.3Å; P87-V116 HydrophobicContact CG-CB 4.25Å; P87-V116 HydrophobicContact CG-CG1 3.36Å; P87-V116 HydrophobicContact CG-CG2 4.1Å
88	P	87.7	Confident	77.3	Confident	2 Å²	2	71 Å²	71	1%	0.013	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-59.4	152.8	169.8	-25.7	35.8	0	0	0	112.4	I20 I32 H67 L69 G114 L115 V116	I20-P88 HydrophobicContact CD1-CG 4.06Å; I32-P88 HydrophobicContact CG2-CB 3.9Å; I32-P88 HydrophobicContact CG2-CG 4.13Å; H67-P88 WeakPolarHBondContact O-CB 3.4Å; H67-P88 WeakPolarHBondContact O-CG 3.37Å; L69-P88 HydrophobicContact CG-CG 4.49Å; P88-G114 WeakPolarHBondContact CD-O 3.3Å; P88-L115 HydrophobicContact CB-CD1 3.86Å; P88-L115 WeakPolarHBondContact O-CD1 3.25Å; P88-V116 WeakPolarHBondContact O-CG2 3.36Å; P88-V116 PolarHBondContact O-N 2.72Å
89	A	85.8	Confident	75.9	Confident	17 Å²	17	71.6 Å²	71.6	14%	0.14	37%	0.368	C	S	.	.	B	Isolated β-bridge	trans	-100.4	135.1	178.1	0	0	0	0	0	111.3	F94 M95 V116	A89-F94 HydrophobicContact CB-CB 3.69Å; A89-M95 HydrophobicContact CB-CG 4.05Å; A89-V116 WeakPolarHBondContact CA-O 3.07Å; A89-V116 HydrophobicContact CB-CG2 4.11Å
90	T	80.3	Confident	75.4	Confident	26 Å²	26	68.9 Å²	68.9	16%	0.16	35%	0.35	C	S	.	.	S	Bend	trans	-71.7	-36.9	172.3	44.1	0	0	0	0	112.3	F61 L115 V116 G117 G119 T232	F61-T90 HydrophobicContact CD1-CG2 3.69Å; F61-T90 HydrophobicContact CE1-CG2 3.36Å; F61-T90 HydrophobicContact CE2-CG2 4.45Å; F61-T90 HydrophobicContact CG-CG2 4.38Å; F61-T90 HydrophobicContact CZ-CG2 3.78Å; T90-L115 HydrophobicContact CG2-CD1 4.43Å; T90-L115 HydrophobicContact CG2-CD2 3.19Å; T90-L115 HydrophobicContact CG2-CG 3.71Å; T90-V116 PolarHBondContact N-O 2.86Å; T90-V116 PolarHBondContact OG1-O 2.81Å; T90-G117 WeakPolarHBondContact OG1-CA 3.14Å; T90-G119 PolarHBondContact OG1-N 3.45Å; T90-T232 HydrophobicContact CG2-CG2 4.01Å
91	D	76.7	Confident	74.8	Confident	48 Å²	48	73 Å²	73	26%	0.257	37%	0.368	S	S	.	.	S	Bend	trans	-112.4	142.2	-176.3	-43	-67.3	0	0	0	110.9	H93 F94 Q118 G119	D91-H93 PolarHBondContact O-N 2.94Å; D91-F94 HydrophobicContact CB-CD2 4.26Å; D91-F94 PolarHBondContact O-N 3.38Å; D91-Q118 PolarHBondContact OD2-N 3.25Å; D91-G119 PolarHBondContact OD2-N 3.18Å
92	Q	70.9	Confident	73.6	Confident	161 Å²	161	69.2 Å²	69.2	75%	0.752	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-56.1	-36.9	-179.7	-73.3	-173.1	-10.3	0	0	112.9	F94 M95	Q92-F94 VanDerWaalsContact C-N 3.26Å; Q92-F94 PolarHBondContact O-N 2.7Å; Q92-M95 VanDerWaalsContact O-CB 3.3Å; Q92-M95 WeakPolarHBondContact O-CB 3.17Å; Q92-M95 PolarHBondContact O-N 3.33Å
93	H	69	Low	72.3	Confident	133 Å²	133	67.8 Å²	67.8	62%	0.616	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-62.9	-32.7	178.9	-62.3	-63.6	0	0	0	112.6	D91 M95 N96 F99	D91-H93 PolarHBondContact O-N 2.94Å; H93-M95 PolarHBondContact O-N 2.95Å; H93-N96 WeakPolarHBondContact O-CB 3.25Å; H93-N96 PolarHBondContact O-N 3.39Å; H93-N96 VanDerWaalsContact O-N 3.16Å; H93-F99 WeakPolarHBondContact O-CB 3.47Å; H93-F99 WeakPolarHBondContact O-CD2 3.36Å
94	F	68.1	Low	71.5	Confident	13 Å²	13	68.5 Å²	68.5	6%	0.057	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-76.4	-1.7	175.3	-85.6	-91.6	0	0	0	113.7	A89 D91 Q92 N96 F99 R100 L124	A89-F94 HydrophobicContact CB-CB 3.69Å; D91-F94 HydrophobicContact CB-CD2 4.26Å; D91-F94 PolarHBondContact O-N 3.38Å; Q92-F94 VanDerWaalsContact C-N 3.26Å; Q92-F94 PolarHBondContact O-N 2.7Å; F94-N96 VanDerWaalsContact C-N 3.26Å; F94-F99 WeakPolarHBondContact CE1-O 3.26Å; F94-R100 WeakPolarHBondContact O-CG 3.26Å; F94-R100 PolarHBondContact O-NE 3.41Å; F94-L124 HydrophobicContact CE2-CD1 4.27Å; F94-L124 HydrophobicContact CE2-CD2 3.99Å; F94-L124 HydrophobicContact CZ-CD1 3.83Å; F94-L124 HydrophobicContact CZ-CD2 3.61Å; F94-L124 HydrophobicContact CZ-CG 4.37Å
95	M	62.8	Low	70.9	Confident	103 Å²	103	72.9 Å²	72.9	51%	0.507	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-74.3	-19.5	165.1	-65.9	-146.2	-83.2	0	0	112.4	A89 Q92 H93	A89-M95 HydrophobicContact CB-CG 4.05Å; Q92-M95 VanDerWaalsContact O-CB 3.3Å; Q92-M95 WeakPolarHBondContact O-CB 3.17Å; Q92-M95 PolarHBondContact O-N 3.33Å; H93-M95 PolarHBondContact O-N 2.95Å
96	N	66.4	Low	70.6	Confident	79 Å²	79	73.2 Å²	73.2	42%	0.422	37%	0.367	S	S	.	.	S	Bend	trans	-83.1	134.1	175.1	-177	-23.2	0	0	0	110.8	H93 F94 V98 F99 R100	H93-N96 WeakPolarHBondContact O-CB 3.25Å; H93-N96 PolarHBondContact O-N 3.39Å; H93-N96 VanDerWaalsContact O-N 3.16Å; F94-N96 VanDerWaalsContact C-N 3.26Å; N96-V98 VanDerWaalsContact C-N 3.25Å; N96-V98 PolarHBondContact O-N 3.21Å; N96-V98 PolarHBondContact OD1-N 3.33Å; N96-F99 HydrophobicContact CB-CD2 4.1Å; N96-F99 PolarHBondContact O-N 3.04Å; N96-R100 PolarHBondContact O-N 2.63Å; N96-R100 VanDerWaalsContact O-N 3.16Å
97	S	62.2	Low	70.4	Confident	84 Å²	84	71.1 Å²	71.1	59%	0.587	37%	0.365	S	S	*	.	H	α-helix	trans	-57.4	-34.8	-178.9	55.9	0	0	0	0	113.3	F99 R100 E101	S97-F99 PolarHBondContact O-N 3.48Å; S97-R100 PolarHBondContact O-N 3.15Å; S97-E101 PolarHBondContact O-N 3.11Å
98	V	51.9	Low	70.3	Confident	97 Å²	97	70.9 Å²	70.9	59%	0.588	36%	0.363	S	S	*	.	H	α-helix	trans	-62.8	-44.3	179.7	-179.7	0	0	0	0	111.2	N96 E101 A102	N96-V98 VanDerWaalsContact C-N 3.25Å; N96-V98 PolarHBondContact O-N 3.21Å; N96-V98 PolarHBondContact OD1-N 3.33Å; V98-E101 PolarHBondContact O-N 2.91Å; V98-A102 PolarHBondContact O-N 2.93Å
99	F	51.6	Low	70	Confident	96 Å²	96	72.3 Å²	72.3	42%	0.421	37%	0.372	S	S	.	.	H	α-helix	trans	-73.6	-30.7	178.9	-74.1	-82.5	0	0	0	112.2	H93 F94 N96 S97 A102 G103	H93-F99 WeakPolarHBondContact O-CB 3.47Å; H93-F99 WeakPolarHBondContact O-CD2 3.36Å; F94-F99 WeakPolarHBondContact CE1-O 3.26Å; N96-F99 HydrophobicContact CB-CD2 4.1Å; N96-F99 PolarHBondContact O-N 3.04Å; S97-F99 PolarHBondContact O-N 3.48Å; F99-A102 PolarHBondContact O-N 2.89Å; F99-G103 PolarHBondContact O-N 2.93Å
100	R	66.1	Low	69.6	Low	36 Å²	36	73.6 Å²	73.6	14%	0.136	38%	0.376	C	S	.	.	H	α-helix	trans	-62.7	-43	170.4	-71.9	-173.6	168.7	-143.7	-3.7	112.2	P87 F94 N96 S97 G103 K104	P87-R100 VanDerWaalsContact O-CZ 3.29Å; P87-R100 PolarHBondContact O-NH1 2.99Å; P87-R100 PolarHBondContact O-NH2 3.21Å; F94-R100 WeakPolarHBondContact O-CG 3.26Å; F94-R100 PolarHBondContact O-NE 3.41Å; N96-R100 PolarHBondContact O-N 2.63Å; N96-R100 VanDerWaalsContact O-N 3.16Å; S97-R100 PolarHBondContact O-N 3.15Å; R100-G103 PolarHBondContact O-N 3.25Å; R100-K104 PolarHBondContact O-N 3.15Å
101	E	64.4	Low	69.6	Low	115 Å²	115	74.8 Å²	74.8	54%	0.537	38%	0.377	S	S	.	.	H	α-helix	trans	-63.4	-44.2	174.3	-74	-60.6	147.5	0	0	111.3	S97 V98 G103 K104	S97-E101 PolarHBondContact O-N 3.11Å; V98-E101 PolarHBondContact O-N 2.91Å; E101-G103 PolarHBondContact O-N 3.02Å; E101-K104 VanDerWaalsContact O-CB 3.32Å; E101-K104 WeakPolarHBondContact O-CB 3.44Å; E101-K104 PolarHBondContact O-N 2.93Å; E101-K104 WeakPolarHBondContact OE1-CE 3.41Å; E101-K104 IonicContact OE1-NZ 3.4Å; E101-K104 PolarHBondContact OE1-NZ 3.29Å; E101-K104 WeakPolarHBondContact OE2-CD 3.26Å; E101-K104 VanDerWaalsContact OE2-CE 3.27Å; E101-K104 WeakPolarHBondContact OE2-CE 3.06Å; E101-K104 IonicContact OE2-NZ 2.75Å; E101-K104 PolarHBondContact OE2-NZ 3.21Å
102	A	54.4	Low	70.2	Confident	60 Å²	60	73.8 Å²	73.8	50%	0.496	37%	0.37	S	S	.	.	H	α-helix	trans	-60.6	-35.2	173.9	0	0	0	0	0	112.3	V98 F99 K104 K105	V98-A102 PolarHBondContact O-N 2.93Å; F99-A102 PolarHBondContact O-N 2.89Å; A102-K104 PolarHBondContact O-N 2.84Å; A102-K105 WeakPolarHBondContact O-CB 3.49Å; A102-K105 PolarHBondContact O-N 3.21Å
103	G	57.4	Low	71	Confident	1 Å²	1	66.9 Å²	66.9	1%	0.01	34%	0.339	C	S	.	.	H	α-helix	trans	-57.9	-30.6	173.8	0	0	0	0	0	113.5	F99 R100 E101 K105 H106 N234	F99-G103 PolarHBondContact O-N 2.93Å; R100-G103 PolarHBondContact O-N 3.25Å; E101-G103 PolarHBondContact O-N 3.02Å; G103-K105 PolarHBondContact O-N 3.06Å; G103-H106 CarbonylContact O-C 3.43Å; G103-H106 PolarHBondContact O-N 3.49Å; G103-N234 PolarHBondContact O-ND2 3.45Å
104	K	70.9	Confident	71.9	Confident	126 Å²	126	60.6 Å²	60.6	55%	0.548	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-11.4	177.3	-62.7	-175.9	-175.4	164.4	0	114	R100 E101 A102 H106 V107	R100-K104 PolarHBondContact O-N 3.15Å; E101-K104 VanDerWaalsContact O-CB 3.32Å; E101-K104 WeakPolarHBondContact O-CB 3.44Å; E101-K104 PolarHBondContact O-N 2.93Å; E101-K104 WeakPolarHBondContact OE1-CE 3.41Å; E101-K104 IonicContact OE1-NZ 3.4Å; E101-K104 PolarHBondContact OE1-NZ 3.29Å; E101-K104 WeakPolarHBondContact OE2-CD 3.26Å; E101-K104 VanDerWaalsContact OE2-CE 3.27Å; E101-K104 WeakPolarHBondContact OE2-CE 3.06Å; E101-K104 IonicContact OE2-NZ 2.75Å; E101-K104 PolarHBondContact OE2-NZ 3.21Å; A102-K104 PolarHBondContact O-N 2.84Å; K104-H106 VanDerWaalsContact C-N 3.3Å; K104-V107 WeakPolarHBondContact O-CG2 3.48Å
105	K	74.8	Confident	72.9	Confident	176 Å²	176	60 Å²	60	77%	0.765	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-27.6	169.5	-170.1	177.5	179.3	-177.6	0	112.7	A102 G103	A102-K105 WeakPolarHBondContact O-CB 3.49Å; A102-K105 PolarHBondContact O-N 3.21Å; G103-K105 PolarHBondContact O-N 3.06Å
106	H	82.7	Confident	74.1	Confident	61 Å²	61	55.8 Å²	55.8	28%	0.282	29%	0.287	S	S	.	.	S	Bend	trans	-115.9	101.6	179	-55.7	97.5	0	0	0	107.9	G103 K104 L124 N234 W236	G103-H106 CarbonylContact O-C 3.43Å; G103-H106 PolarHBondContact O-N 3.49Å; K104-H106 VanDerWaalsContact C-N 3.3Å; H106-L124 HydrophobicContact CB-CB 4.39Å; H106-N234 VanDerWaalsContact O-CA 3.31Å; H106-N234 WeakPolarHBondContact O-CA 3.5Å; H106-N234 PolarHBondContact O-ND2 2.94Å; H106-W236 HydrophobicContact CB-CZ3 4.45Å
107	V	84.5	Confident	74.9	Confident	54 Å²	54	52 Å²	52	33%	0.327	27%	0.267	S	S	.	.			trans	-115.9	121.9	-177	-178.7	0	0	0	0	108.4	W78 K104 P109 D233 W236	W78-V107 HydrophobicContact CD2-CG1 3.52Å; W78-V107 HydrophobicContact CE3-CG1 4.08Å; W78-V107 HydrophobicContact CG-CG1 3.91Å; W78-V107 HydrophobicContact CH2-CG1 4.13Å; W78-V107 HydrophobicContact CZ2-CG1 3.56Å; W78-V107 HydrophobicContact CZ3-CG1 4.36Å; K104-V107 WeakPolarHBondContact O-CG2 3.48Å; V107-P109 WeakPolarHBondContact O-CD 3.24Å; V107-P109 VanDerWaalsContact O-N 3.14Å; V107-D233 CarbonylContact C-O 3.52Å; V107-D233 WeakPolarHBondContact CA-O 3.33Å; V107-W236 VanDerWaalsContact C-CZ3 3.41Å; V107-W236 VanDerWaalsContact O-CH2 3.26Å; V107-W236 WeakPolarHBondContact O-CH2 3.08Å; V107-W236 WeakPolarHBondContact O-CZ3 3.35Å
108	N	86.9	Confident	75.9	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.252	C	S	.	.			trans	-55.4	116.6	176.9	-176.4	-34	0	0	0	109	W78 E110 R111 Y225 T232 D233 W236	W78-N108 VanDerWaalsContact CD1-O 3.31Å; W78-N108 PolarHBondContact NE1-O 3.39Å; N108-E110 PolarHBondContact O-N 2.88Å; N108-E110 PolarHBondContact OD1-N 3.42Å; N108-R111 WeakPolarHBondContact CB-O 3.44Å; N108-Y225 PolarHBondContact ND2-OH 2.95Å; N108-Y225 VanDerWaalsContact OD1-CE2 3.26Å; N108-Y225 WeakPolarHBondContact OD1-CE2 3.38Å; N108-Y225 PolarHBondContact OD1-OH 2.91Å; N108-Y225 VanDerWaalsContact OD1-OH 3.1Å; N108-T232 WeakPolarHBondContact CB-O 3.39Å; N108-T232 PolarHBondContact ND2-O 3.49Å; N108-D233 WeakPolarHBondContact CB-O 3.21Å; N108-D233 PolarHBondContact N-O 3.03Å; N108-W236 VanDerWaalsContact CA-CE3 3.46Å; N108-W236 HydrophobicContact CB-CE3 3.98Å
109	P	82.6	Confident	77.3	Confident	32 Å²	32	47.1 Å²	47.1	21%	0.208	23%	0.233	C	C	.	.	S	Bend	trans	-69.1	-24.1	-167	26.9	-35.2	0	0	0	112.8	V107 Y225 W236	V107-P109 WeakPolarHBondContact O-CD 3.24Å; V107-P109 VanDerWaalsContact O-N 3.14Å; P109-Y225 HydrophobicContact CG-CD2 4.19Å; P109-Y225 HydrophobicContact CG-CE2 4.47Å; P109-W236 HydrophobicContact CG-CZ2 4.31Å
110	E	76.5	Confident	78.5	Confident	45 Å²	45	43.5 Å²	43.5	21%	0.21	22%	0.219	C	C	.	.	S	Bend	trans	-84.9	-46.3	-175.5	-72.5	-63.4	95.6	0	0	112.8	N108 Y225 K306 L461	N108-E110 PolarHBondContact O-N 2.88Å; N108-E110 PolarHBondContact OD1-N 3.42Å; E110-Y225 HydrophobicContact CB-CD1 4.5Å; E110-Y225 HydrophobicContact CB-CD2 4.45Å; E110-Y225 HydrophobicContact CB-CE1 4.03Å; E110-Y225 HydrophobicContact CB-CE2 3.96Å; E110-Y225 HydrophobicContact CG-CD1 3.47Å; E110-Y225 VanDerWaalsContact CG-CD1 3.47Å; E110-Y225 HydrophobicContact CG-CD2 3.57Å; E110-Y225 HydrophobicContact CG-CE1 3.47Å; E110-Y225 VanDerWaalsContact CG-CE1 3.47Å; E110-Y225 HydrophobicContact CG-CE2 3.55Å; E110-Y225 HydrophobicContact CG-CG 3.49Å; E110-Y225 VanDerWaalsContact CG-CG 3.49Å; E110-Y225 VanDerWaalsContact CG-CZ 3.46Å; E110-K306 IonicContact OE2-NZ 3.36Å; E110-K306 PolarHBondContact OE2-NZ 3.39Å; E110-L461 VanDerWaalsContact CD-CD1 3.49Å; E110-L461 HydrophobicContact CG-CD1 4.36Å; E110-L461 WeakPolarHBondContact OE1-CB 3.28Å; E110-L461 WeakPolarHBondContact OE1-CD1 3.24Å; E110-L461 WeakPolarHBondContact OE1-CD2 3.41Å; E110-L461 VanDerWaalsContact OE1-CG 3.28Å; E110-L461 WeakPolarHBondContact OE1-CG 3.46Å
111	R	81.8	Confident	79.3	Confident	51 Å²	51	42 Å²	42	19%	0.192	21%	0.213	C	C	.	.			trans	-162.3	155	-167.5	58.3	-179.3	178.3	163.6	-1	113.2	S76 N108 T113 S227 E299	S76-R111 CarbonylContact O-C 3.51Å; S76-R111 WeakPolarHBondContact O-CA 3.24Å; N108-R111 WeakPolarHBondContact CB-O 3.44Å; R111-T113 HydrophobicContact CG-CG2 4.44Å; R111-S227 PolarHBondContact NH2-OG 2.96Å; R111-S227 VanDerWaalsContact NH2-OG 3.07Å; R111-E299 IonicContact CZ-OE2 2.65Å; R111-E299 IonicContact NH1-OE1 3.06Å; R111-E299 PolarHBondContact NH1-OE1 2.84Å; R111-E299 VanDerWaalsContact NH1-OE1 3.07Å; R111-E299 IonicContact NH1-OE2 2.83Å; R111-E299 PolarHBondContact NH1-OE2 3.29Å; R111-E299 IonicContact NH2-OE2 2.75Å; R111-E299 PolarHBondContact NH2-OE2 2.98Å
112	R	87.8	Confident	79.9	Confident	27 Å²	27	40.3 Å²	40.3	10%	0.102	20%	0.204	C	C	.	.			trans	-66.4	121.2	151.9	-70	178	-179.8	120.6	-1.7	108.2	I71 S76 T77 W78 T80 Y85 D233	I71-R112 HydrophobicContact CG2-CB 4.43Å; S76-R112 WeakPolarHBondContact O-CB 3.38Å; S76-R112 PolarHBondContact O-N 3.47Å; T77-R112 PolarHBondContact O-NH1 3.22Å; W78-R112 HydrophobicContact CD2-CG 3.82Å; W78-R112 HydrophobicContact CE3-CG 3.91Å; W78-R112 VanDerWaalsContact CE3-NE 3.29Å; W78-R112 HydrophobicContact CH2-CG 3.78Å; W78-R112 HydrophobicContact CZ2-CG 3.7Å; W78-R112 HydrophobicContact CZ3-CG 3.88Å; W78-R112 PolarHBondContact O-NH1 3.12Å; W78-R112 PolarHBondContact O-NH2 3.2Å; T80-R112 PolarHBondContact O-NH1 3.39Å; Y85-R112 HydrophobicContact CE1-CG 4.04Å; Y85-R112 HydrophobicContact CE2-CB 4.3Å; Y85-R112 HydrophobicContact CE2-CG 4.44Å; Y85-R112 WeakPolarHBondContact OH-CB 3.49Å; R112-D233 WeakPolarHBondContact CA-OD1 3.46Å
113	T	87.6	Confident	81.2	Confident	16 Å²	16	41.3 Å²	41.3	10%	0.098	20%	0.201	C	C	.	.			trans	-89.9	-9.1	176.8	64.1	0	0	0	0	112.2	R111 L115 E231 T232 D233	R111-T113 HydrophobicContact CG-CG2 4.44Å; T113-L115 VanDerWaalsContact C-N 3.26Å; T113-L115 PolarHBondContact OG1-N 2.98Å; T113-L115 PolarHBondContact OG1-O 2.99Å; T113-L115 VanDerWaalsContact OG1-O 3.11Å; T113-E231 HydrophobicContact CG2-CB 4.39Å; T113-T232 VanDerWaalsContact OG1-CA 3.3Å; T113-T232 WeakPolarHBondContact OG1-CA 3.42Å; T113-D233 PolarHBondContact N-OD1 3.39Å; T113-D233 PolarHBondContact OG1-N 2.96Å; T113-D233 PolarHBondContact OG1-OD1 3.02Å
114	G	88.8	Confident	82.4	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.214	C	C	.	.	S	Bend	trans	74.5	16.9	-173.5	0	0	0	0	0	113.4	L69 Y85 P87 P88	L69-G114 PolarHBondContact N-O 3.44Å; L69-G114 WeakPolarHBondContact O-CA 3.41Å; Y85-G114 WeakPolarHBondContact OH-CA 3.45Å; Y85-G114 PolarHBondContact OH-N 2.92Å; P87-G114 VanDerWaalsContact CB-C 3.41Å; P87-G114 WeakPolarHBondContact CB-O 3.41Å; P88-G114 WeakPolarHBondContact CD-O 3.3Å
115	L	88.7	Confident	83.2	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.189	C	C	.	.			trans	-147.2	135.8	-177.3	-157.5	73.8	0	0	0	110.9	F61 V66 R68 P88 T90 T113 T232 D233	F61-L115 HydrophobicContact CB-CD2 4.04Å; F61-L115 HydrophobicContact CD1-CD2 3.94Å; F61-L115 HydrophobicContact CD2-CD2 3.26Å; F61-L115 HydrophobicContact CE1-CD2 4.17Å; F61-L115 HydrophobicContact CE2-CD2 3.51Å; F61-L115 HydrophobicContact CG-CD2 3.49Å; F61-L115 VanDerWaalsContact CG-CD2 3.49Å; F61-L115 HydrophobicContact CZ-CD2 3.97Å; V66-L115 HydrophobicContact CG1-CD1 3.8Å; R68-L115 HydrophobicContact CB-CB 4.4Å; R68-L115 HydrophobicContact CB-CD1 4.39Å; R68-L115 HydrophobicContact CG-CB 4.24Å; R68-L115 HydrophobicContact CG-CD1 4.22Å; R68-L115 HydrophobicContact CG-CD2 4.14Å; R68-L115 HydrophobicContact CG-CG 4.45Å; P88-L115 HydrophobicContact CB-CD1 3.86Å; P88-L115 WeakPolarHBondContact O-CD1 3.25Å; T90-L115 HydrophobicContact CG2-CD1 4.43Å; T90-L115 HydrophobicContact CG2-CD2 3.19Å; T90-L115 HydrophobicContact CG2-CG 3.71Å; T113-L115 VanDerWaalsContact C-N 3.26Å; T113-L115 PolarHBondContact OG1-N 2.98Å; T113-L115 PolarHBondContact OG1-O 2.99Å; T113-L115 VanDerWaalsContact OG1-O 3.11Å; L115-T232 HydrophobicContact CD2-CG2 4.28Å; L115-T232 WeakPolarHBondContact O-CB 3.48Å; L115-D233 VanDerWaalsContact O-CB 3.31Å; L115-D233 WeakPolarHBondContact O-CB 3.44Å; L115-D233 VanDerWaalsContact O-CG 3.23Å; L115-D233 PolarHBondContact O-N 2.97Å
116	V	88.6	Confident	83.8	Confident	16 Å²	16	32 Å²	32	10%	0.097	17%	0.165	C	C	.	.	B	Isolated β-bridge	trans	-111.4	160.8	176.8	-73.9	0	0	0	0	112.3	P87 P88 A89 T90 D233 N234	P87-V116 HydrophobicContact CB-CG1 4.3Å; P87-V116 HydrophobicContact CG-CB 4.25Å; P87-V116 HydrophobicContact CG-CG1 3.36Å; P87-V116 HydrophobicContact CG-CG2 4.1Å; P88-V116 WeakPolarHBondContact O-CG2 3.36Å; P88-V116 PolarHBondContact O-N 2.72Å; A89-V116 WeakPolarHBondContact CA-O 3.07Å; A89-V116 HydrophobicContact CB-CG2 4.11Å; T90-V116 PolarHBondContact N-O 2.86Å; T90-V116 PolarHBondContact OG1-O 2.81Å; V116-D233 HydrophobicContact CG1-CB 3.95Å; V116-N234 WeakPolarHBondContact CA-OD1 3.26Å; V116-N234 WeakPolarHBondContact CB-OD1 3.07Å; V116-N234 WeakPolarHBondContact CG1-OD1 3.3Å
117	G	83.7	Confident	84	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.151	C	C	.	.	S	Bend	trans	108.3	-174.3	178.7	0	0	0	0	0	113.5	T90 T232 N234	T90-G117 WeakPolarHBondContact OG1-CA 3.14Å; G117-T232 WeakPolarHBondContact O-CB 3.33Å; G117-T232 PolarHBondContact O-OG1 3.29Å; G117-N234 PolarHBondContact N-OD1 2.84Å
118	Q	82.3	Confident	84.1	Confident	60 Å²	60	32.1 Å²	32.1	28%	0.28	16%	0.157	S	C	.	.			trans	-89.4	-32	-177.6	-177.2	173.3	-41.8	0	0	111.7	D91 W121 K122 L124	D91-Q118 PolarHBondContact OD2-N 3.25Å; Q118-W121 HydrophobicContact CG-CB 4.41Å; Q118-W121 VanDerWaalsContact CG-O 3.25Å; Q118-W121 WeakPolarHBondContact CG-O 3.25Å; Q118-W121 PolarHBondContact NE2-O 2.79Å; Q118-W121 WeakPolarHBondContact O-CB 3.25Å; Q118-W121 PolarHBondContact O-N 3.36Å; Q118-K122 PolarHBondContact NE2-O 2.92Å; Q118-L124 HydrophobicContact CB-CD2 3.77Å; Q118-L124 HydrophobicContact CB-CG 4.31Å; Q118-L124 HydrophobicContact CG-CD2 4.44Å
119	G	81.1	Confident	84.1	Confident	18 Å²	18	32.3 Å²	32.3	19%	0.186	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	-145.2	-175.9	0	0	0	0	0	112	T90 D91 W121	T90-G119 PolarHBondContact OG1-N 3.45Å; D91-G119 PolarHBondContact OD2-N 3.18Å; G119-W121 PolarHBondContact O-N 3.04Å
120	P	76.9	Confident	84.4	Confident	19 Å²	19	31.7 Å²	31.7	12%	0.123	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	1.9	-178.4	34.4	-36.5	0	0	0	113.4	V155 I163 L165 Y230	P120-V155 HydrophobicContact CB-CG2 3.99Å; P120-V155 HydrophobicContact CG-CG2 4.25Å; P120-I163 HydrophobicContact CB-CG2 4.05Å; P120-L165 HydrophobicContact CB-CD2 4.16Å; P120-L165 HydrophobicContact CG-CD2 3.94Å; P120-Y230 HydrophobicContact CG-CD1 3.64Å; P120-Y230 HydrophobicContact CG-CE1 4.45Å; P120-Y230 HydrophobicContact CG-CG 3.64Å
121	W	83.4	Confident	84.9	Confident	5 Å²	5	29.6 Å²	29.6	2%	0.019	14%	0.143	C	C	.	.	S	Bend	trans	-74.2	155	179.7	-57.5	116.5	0	0	0	111.4	Q118 G119 N127 M129 L165 H228 Y230 E231 A235 V237	Q118-W121 HydrophobicContact CG-CB 4.41Å; Q118-W121 VanDerWaalsContact CG-O 3.25Å; Q118-W121 WeakPolarHBondContact CG-O 3.25Å; Q118-W121 PolarHBondContact NE2-O 2.79Å; Q118-W121 WeakPolarHBondContact O-CB 3.25Å; Q118-W121 PolarHBondContact O-N 3.36Å; G119-W121 PolarHBondContact O-N 3.04Å; W121-N127 HydrophobicContact CE3-CB 4.4Å; W121-M129 HydrophobicContact CE3-CE 3.93Å; W121-M129 HydrophobicContact CZ3-CE 3.57Å; W121-L165 HydrophobicContact CD2-CD1 4.4Å; W121-L165 HydrophobicContact CE3-CD1 3.5Å; W121-L165 HydrophobicContact CH2-CD1 3.69Å; W121-L165 HydrophobicContact CZ3-CD1 3.08Å; W121-H228 HydrophobicContact CH2-CB 3.95Å; W121-H228 AromaticContact CH2-CE1 3.53Å; W121-H228 AromaticContact CH2-CG 3.52Å; W121-H228 AromaticContact CH2-ND1 3.07Å; W121-H228 WeakPolarHBondContact CH2-ND1 3.27Å; W121-H228 HydrophobicContact CZ2-CB 3.92Å; W121-H228 AromaticContact CZ2-CG 3.78Å; W121-H228 AromaticContact CZ2-ND1 3.18Å; W121-H228 WeakPolarHBondContact CZ2-ND1 3.45Å; W121-Y230 VanDerWaalsContact NE1-C 3.32Å; W121-Y230 PolarHBondContact NE1-O 3.23Å; W121-E231 HydrophobicContact CZ2-CG 4.14Å; W121-A235 HydrophobicContact CB-CB 4.12Å; W121-A235 VanDerWaalsContact CD1-CB 3.43Å; W121-A235 HydrophobicContact CG-CB 4.02Å; W121-V237 HydrophobicContact CE3-CG2 4.15Å; W121-V237 HydrophobicContact CH2-CG2 3.05Å; W121-V237 HydrophobicContact CZ2-CG2 3.55Å; W121-V237 HydrophobicContact CZ3-CG2 3.4Å
122	K	76.2	Confident	85.3	Confident	80 Å²	80	27.5 Å²	27.5	35%	0.348	14%	0.136	S	C	.	.	S	Bend	trans	-72.3	-36.2	176.9	-172.9	172.8	-174.7	167.7	0	113.9	Q118 N127 Y173 G184	Q118-K122 PolarHBondContact NE2-O 2.92Å; K122-N127 PolarHBondContact N-OD1 2.72Å; K122-Y173 HydrophobicContact CB-CE1 3.83Å; K122-Y173 PolarHBondContact N-OH 3.18Å; K122-G184 VanDerWaalsContact CE-O 3.3Å; K122-G184 WeakPolarHBondContact CE-O 3.27Å; K122-G184 PolarHBondContact NZ-O 2.93Å
123	N	82.7	Confident	85.3	Confident	81 Å²	81	26.4 Å²	26.4	43%	0.433	13%	0.132	S	C	.	.	S	Bend	trans	-128.5	146.4	-174.1	-58.2	-41.2	0	0	0	110.6	N127	N123-N127 PolarHBondContact N-OD1 2.94Å; N123-N127 PolarHBondContact O-ND2 3.25Å
124	L	82.1	Confident	85.4	Confident	52 Å²	52	25.7 Å²	25.7	27%	0.272	13%	0.127	S	C	.	.	S	Bend	trans	-62.9	143.9	153.4	-66.5	170.1	0	0	0	109.3	F94 H106 Q118 N234	F94-L124 HydrophobicContact CE2-CD1 4.27Å; F94-L124 HydrophobicContact CE2-CD2 3.99Å; F94-L124 HydrophobicContact CZ-CD1 3.83Å; F94-L124 HydrophobicContact CZ-CD2 3.61Å; F94-L124 HydrophobicContact CZ-CG 4.37Å; H106-L124 HydrophobicContact CB-CB 4.39Å; Q118-L124 HydrophobicContact CB-CD2 3.77Å; Q118-L124 HydrophobicContact CB-CG 4.31Å; Q118-L124 HydrophobicContact CG-CD2 4.44Å; L124-N234 CarbonylContact C-O 3.58Å; L124-N234 HydrophobicContact CD2-CB 3.83Å
125	G	87.4	Confident	85.4	Confident	3 Å²	3	26.8 Å²	26.8	3%	0.031	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	87.4	-143.7	-176.8	0	0	0	0	0	113.8	N127 N234 A235 W236	G125-N127 PolarHBondContact O-N 2.85Å; G125-N127 PolarHBondContact O-ND2 3.47Å; G125-N127 VanDerWaalsContact O-ND2 3.16Å; G125-N234 PolarHBondContact N-O 2.9Å; G125-A235 WeakPolarHBondContact O-CA 3.22Å; G125-W236 PolarHBondContact O-N 3.22Å; G125-W236 VanDerWaalsContact O-N 3.11Å
126	E	87	Confident	85.5	Confident	53 Å²	53	28.2 Å²	28.2	25%	0.248	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	115.4	-175.2	-175.7	-176.6	104.5	0	0	111.7	R128 W236 K238	E126-R128 HydrophobicContact CG-CG 4.3Å; E126-R128 IonicContact OE1-CZ 2.81Å; E126-R128 VanDerWaalsContact OE1-CZ 3.26Å; E126-R128 IonicContact OE1-NE 2.99Å; E126-R128 PolarHBondContact OE1-NE 3.26Å; E126-R128 IonicContact OE1-NH2 3.3Å; E126-R128 PolarHBondContact OE1-NH2 2.85Å; E126-W236 HydrophobicContact CB-CZ2 4.13Å; E126-K238 HydrophobicContact CG-CB 3.73Å; E126-K238 HydrophobicContact CG-CD 4.02Å; E126-K238 WeakPolarHBondContact OE1-CD 3.2Å; E126-K238 IonicContact OE1-NZ 2.96Å; E126-K238 WeakPolarHBondContact OE2-CD 3.42Å; E126-K238 IonicContact OE2-NZ 3.14Å; E126-K238 PolarHBondContact OE2-NZ 3.47Å
127	N	86.8	Confident	85.3	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	112.8	171.2	-70.5	-95.1	0	0	0	109.5	W121 K122 N123 G125 M129 Y173 W236 V237 K238	W121-N127 HydrophobicContact CE3-CB 4.4Å; K122-N127 PolarHBondContact N-OD1 2.72Å; N123-N127 PolarHBondContact N-OD1 2.94Å; N123-N127 PolarHBondContact O-ND2 3.25Å; G125-N127 PolarHBondContact O-N 2.85Å; G125-N127 PolarHBondContact O-ND2 3.47Å; G125-N127 VanDerWaalsContact O-ND2 3.16Å; N127-M129 HydrophobicContact CB-CE 4.45Å; N127-Y173 HydrophobicContact CB-CE1 4.05Å; N127-Y173 WeakPolarHBondContact OD1-CE1 3.28Å; N127-Y173 PolarHBondContact OD1-OH 3.28Å; N127-W236 WeakPolarHBondContact CB-O 3.32Å; N127-W236 PolarHBondContact N-O 3.41Å; N127-V237 WeakPolarHBondContact O-CA 3.46Å; N127-K238 PolarHBondContact O-N 3.46Å
128	R	87.5	Confident	85.3	Confident	117 Å²	117	34 Å²	34	44%	0.442	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	118.6	-176	-68.4	-177.5	174.7	169.3	5.1	111.4	E126 R174 K238	E126-R128 HydrophobicContact CG-CG 4.3Å; E126-R128 IonicContact OE1-CZ 2.81Å; E126-R128 VanDerWaalsContact OE1-CZ 3.26Å; E126-R128 IonicContact OE1-NE 2.99Å; E126-R128 PolarHBondContact OE1-NE 3.26Å; E126-R128 IonicContact OE1-NH2 3.3Å; E126-R128 PolarHBondContact OE1-NH2 2.85Å; R128-R174 HydrophobicContact CB-CB 4Å; R128-R174 WeakPolarHBondContact O-CB 3.46Å; R128-R174 PolarHBondContact O-N 2.87Å; R128-K238 WeakPolarHBondContact CA-O 3.39Å
129	M	86.7	Confident	85.4	Confident	4 Å²	4	41.1 Å²	41.1	2%	0.02	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	142.5	-178.9	-61.9	-62.3	-173.3	0	0	111.5	W121 N127 M171 F172 Y173 V237 K238 A239 K240	W121-M129 HydrophobicContact CE3-CE 3.93Å; W121-M129 HydrophobicContact CZ3-CE 3.57Å; N127-M129 HydrophobicContact CB-CE 4.45Å; M129-M171 HydrophobicContact SD-CB 4.49Å; M129-F172 CarbonylContact C-O 3.59Å; M129-F172 WeakPolarHBondContact CA-O 3.48Å; M129-Y173 HydrophobicContact CE-CD1 3.92Å; M129-Y173 HydrophobicContact CE-CD2 3.65Å; M129-Y173 HydrophobicContact CE-CE1 3.53Å; M129-Y173 HydrophobicContact CE-CE2 3.3Å; M129-Y173 HydrophobicContact CE-CG 4.01Å; M129-Y173 HydrophobicContact SD-CD1 4Å; M129-Y173 HydrophobicContact SD-CD2 3.81Å; M129-Y173 HydrophobicContact SD-CE1 4.22Å; M129-Y173 HydrophobicContact SD-CE2 4.11Å; M129-Y173 HydrophobicContact SD-CG 3.82Å; M129-V237 HydrophobicContact CB-CG1 4Å; M129-V237 HydrophobicContact CG-CG1 3.62Å; M129-V237 HydrophobicContact CG-CG2 4.46Å; M129-K238 PolarHBondContact N-O 3.5Å; M129-A239 CarbonylContact O-C 3.59Å; M129-A239 WeakPolarHBondContact O-CA 3.43Å; M129-K240 PolarHBondContact O-N 3.07Å
130	D	88.5	Confident	85.2	Confident	18 Å²	18	43.1 Å²	43.1	10%	0.096	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	125.7	168.5	-82.4	-26.9	0	0	0	108.2	F172 Y242	D130-F172 PolarHBondContact N-O 3.06Å; D130-F172 PolarHBondContact O-N 3.34Å; D130-Y242 HydrophobicContact CB-CE1 3.79Å
131	I	87.6	Confident	85.4	Confident	2 Å²	2	45 Å²	45	1%	0.01	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	98.4	-179.6	-54.7	-176.6	0	0	0	108.5	A169 M171 L226 A239 K240 V241 Y242 F287	I131-A169 HydrophobicContact CG2-CB 3.85Å; I131-M171 HydrophobicContact CD1-CG 3.86Å; I131-M171 HydrophobicContact CD1-SD 4.35Å; I131-M171 HydrophobicContact CG1-CB 4.4Å; I131-M171 HydrophobicContact CG1-CG 3.98Å; I131-L226 HydrophobicContact CD1-CD2 3.49Å; I131-L226 VanDerWaalsContact CD1-CD2 3.49Å; I131-A239 HydrophobicContact CD1-CB 3.78Å; I131-A239 HydrophobicContact CG1-CB 4.33Å; I131-K240 PolarHBondContact N-O 2.82Å; I131-V241 HydrophobicContact CB-CB 4.45Å; I131-V241 HydrophobicContact CB-CG1 4.34Å; I131-V241 HydrophobicContact CB-CG2 4.11Å; I131-V241 HydrophobicContact CD1-CG2 4.23Å; I131-V241 HydrophobicContact CG2-CG1 4.32Å; I131-V241 WeakPolarHBondContact O-CA 3.44Å; I131-Y242 PolarHBondContact O-N 3.11Å; I131-F287 HydrophobicContact CD1-CZ 4.49Å; I131-F287 HydrophobicContact CG2-CZ 4.18Å
132	P	89.7	Confident	85.4	Confident	7 Å²	7	48.3 Å²	48.3	5%	0.045	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	127	179.9	32.2	-33.3	0	0	0	111.6	L134 F172 A190 F194 Y242	P132-L134 HydrophobicContact CB-CD1 3.8Å; P132-L134 HydrophobicContact CG-CD1 4.45Å; P132-F172 HydrophobicContact CG-CD2 3.92Å; P132-F172 HydrophobicContact CG-CE2 3.63Å; P132-A190 HydrophobicContact CG-CB 4.39Å; P132-F194 HydrophobicContact CB-CE2 3.96Å; P132-F194 HydrophobicContact CB-CZ 4.14Å; P132-F194 HydrophobicContact CG-CE2 3.75Å; P132-F194 HydrophobicContact CG-CZ 3.65Å; P132-Y242 HydrophobicContact CB-CD2 4.27Å; P132-Y242 HydrophobicContact CB-CE2 3.49Å; P132-Y242 VanDerWaalsContact CB-CE2 3.49Å
133	I	88.8	Confident	86	Confident	3 Å²	3	45.2 Å²	45.2	2%	0.015	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	114	168.2	-58.5	175.2	0	0	0	107.9	I135 I144 I221 V241 Y242 I243 I244 V282 V283 A286 F287	I133-I135 HydrophobicContact CG2-CG1 4.33Å; I133-I144 HydrophobicContact CG2-CG2 4.36Å; I133-I221 HydrophobicContact CD1-CD1 4.16Å; I133-V241 HydrophobicContact CD1-CG1 3.72Å; I133-V241 HydrophobicContact CG1-CG1 4.15Å; I133-Y242 PolarHBondContact N-O 3.42Å; I133-I243 HydrophobicContact CB-CG1 3.88Å; I133-I243 HydrophobicContact CD1-CG1 4.32Å; I133-I243 HydrophobicContact CG2-CG1 4.15Å; I133-I243 CarbonylContact O-C 3.51Å; I133-I243 VanDerWaalsContact O-CA 3.3Å; I133-I243 WeakPolarHBondContact O-CA 3.48Å; I133-I244 PolarHBondContact O-N 3.5Å; I133-V282 HydrophobicContact CG2-CG1 4.08Å; I133-V283 HydrophobicContact CD1-CG2 4.1Å; I133-A286 HydrophobicContact CD1-CB 4.06Å; I133-A286 HydrophobicContact CG1-CB 4.19Å; I133-A286 HydrophobicContact CG2-CB 4.19Å; I133-F287 HydrophobicContact CD1-CE2 4.17Å
134	L	89.4	Confident	86.2	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	132.1	-179.8	-75.2	80.1	0	0	0	110.7	P132 I144 M145 F194 I244 L252 M255 W268	P132-L134 HydrophobicContact CB-CD1 3.8Å; P132-L134 HydrophobicContact CG-CD1 4.45Å; L134-I144 WeakPolarHBondContact O-CA 3.39Å; L134-M145 HydrophobicContact CB-CB 3.96Å; L134-M145 HydrophobicContact CB-CE 4.28Å; L134-M145 HydrophobicContact CD1-CE 3.77Å; L134-M145 HydrophobicContact CD2-CE 3.88Å; L134-M145 HydrophobicContact CD2-SD 4.33Å; L134-M145 HydrophobicContact CG-CE 4.2Å; L134-M145 PolarHBondContact O-N 3.4Å; L134-F194 HydrophobicContact CD1-CE1 4.46Å; L134-F194 HydrophobicContact CD1-CE2 4.07Å; L134-F194 HydrophobicContact CD1-CZ 3.74Å; L134-I244 WeakPolarHBondContact CA-O 3.42Å; L134-I244 HydrophobicContact CG-CB 4.41Å; L134-L252 HydrophobicContact CD2-CB 3.96Å; L134-L252 HydrophobicContact CD2-CD1 3.97Å; L134-L252 HydrophobicContact CD2-CD2 4.14Å; L134-L252 HydrophobicContact CD2-CG 4.25Å; L134-M255 HydrophobicContact CD2-CE 3.64Å; L134-W268 HydrophobicContact CB-CH2 3.83Å; L134-W268 HydrophobicContact CB-CZ3 4.33Å
135	I	88.9	Confident	86.4	Confident	24 Å²	24	39.3 Å²	39.3	12%	0.123	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	134.5	-179.8	-47.1	174.8	0	0	0	108.5	I133 Q143 I144 I243 I244 I245 A246 V282	I133-I135 HydrophobicContact CG2-CG1 4.33Å; I135-Q143 WeakPolarHBondContact CA-O 3.42Å; I135-I144 HydrophobicContact CG1-CG1 4.45Å; I135-I243 HydrophobicContact CD1-CG2 3.64Å; I135-I243 HydrophobicContact CG1-CG2 4.21Å; I135-I244 PolarHBondContact N-O 2.9Å; I135-I245 CarbonylContact O-C 3.39Å; I135-I245 WeakPolarHBondContact O-CA 3.48Å; I135-A246 PolarHBondContact O-N 2.95Å; I135-V282 HydrophobicContact CD1-CG1 3.59Å; I135-V282 HydrophobicContact CD1-CG2 4.33Å; I135-V282 HydrophobicContact CG1-CG1 4.32Å
136	R	89.5	Confident	86.2	Confident	29 Å²	29	39.7 Å²	39.7	11%	0.109	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	161.2	171.5	72.7	-179.5	-175.8	175.7	2.2	111.4	K142 Q143 A246 Y253 W268	R136-K142 WeakPolarHBondContact O-CA 3.22Å; R136-Q143 HydrophobicContact CG-CB 4.06Å; R136-Q143 PolarHBondContact N-O 3.31Å; R136-Q143 PolarHBondContact O-N 3.46Å; R136-A246 HydrophobicContact CB-CB 4.29Å; R136-A246 WeakPolarHBondContact CB-O 3.32Å; R136-Y253 HydrophobicContact CB-CD2 3.86Å; R136-Y253 HydrophobicContact CB-CE2 3.89Å; R136-Y253 HydrophobicContact CG-CD2 4.44Å; R136-Y253 HydrophobicContact CG-CE2 4.26Å; R136-Y253 PolarHBondContact NH1-O 2.93Å; R136-W268 HydrophobicContact CB-CH2 4.1Å; R136-W268 HydrophobicContact CB-CZ3 4.12Å; R136-W268 HydrophobicContact CG-CD2 4.24Å; R136-W268 HydrophobicContact CG-CE3 3.81Å; R136-W268 HydrophobicContact CG-CH2 3.89Å; R136-W268 HydrophobicContact CG-CZ2 4.34Å; R136-W268 HydrophobicContact CG-CZ3 3.62Å; R136-W268 VanDerWaalsContact CZ-CG 3.4Å; R136-W268 VanDerWaalsContact NE-CD2 3.33Å; R136-W268 VanDerWaalsContact NH2-CD1 3.3Å; R136-W268 VanDerWaalsContact NH2-CG 3.31Å
137	S	85.7	Confident	85.8	Confident	60 Å²	60	38.2 Å²	38.2	42%	0.42	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	114.5	165.3	-174	0	0	0	0	108.3	Y253	S137-Y253 VanDerWaalsContact O-CE2 3.28Å; S137-Y253 WeakPolarHBondContact O-CE2 3.33Å; S137-Y253 PolarHBondContact O-OH 3.23Å
138	Y	84.1	Confident	84.9	Confident	79 Å²	79	46.9 Å²	46.9	31%	0.31	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	114.8	179	-176.7	-100.7	0	0	0	109.2	G140 V141 Y253	Y138-G140 PolarHBondContact O-N 2.94Å; Y138-V141 PolarHBondContact N-O 2.93Å; Y138-V141 PolarHBondContact O-N 3.29Å; Y138-Y253 WeakPolarHBondContact CA-OH 3.18Å; Y138-Y253 HydrophobicContact CD2-CE1 4.17Å; Y138-Y253 AromaticContact CD2-CZ 3.99Å; Y138-Y253 WeakPolarHBondContact CD2-OH 3.32Å
139	R	82.7	Confident	83.4	Confident	208 Å²	208	47.5 Å²	47.5	79%	0.785	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	52	42	-176.4	-58.5	-178.1	177.6	-173	-3.2	112.9	V141	R139-V141 VanDerWaalsContact C-N 3.26Å; R139-V141 PolarHBondContact O-N 2.97Å
140	G	77.3	Confident	81.6	Confident	60 Å²	60	53.5 Å²	53.5	62%	0.619	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.3	-2.6	179.3	0	0	0	0	0	115.4	Y138	Y138-G140 PolarHBondContact O-N 2.94Å
141	V	82.2	Confident	79.5	Confident	60 Å²	60	53.8 Å²	53.8	36%	0.364	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	133.3	176.9	-173.4	0	0	0	0	109.9	Y138 R139	Y138-V141 PolarHBondContact N-O 2.93Å; Y138-V141 PolarHBondContact O-N 3.29Å; R139-V141 VanDerWaalsContact C-N 3.26Å; R139-V141 PolarHBondContact O-N 2.97Å
142	K	83	Confident	77.6	Confident	74 Å²	74	57.1 Å²	57.1	32%	0.322	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	134.1	174.9	-68.8	178.5	-172.9	142.9	0	110.3	R136 Y271 D273 L276	R136-K142 WeakPolarHBondContact O-CA 3.22Å; K142-Y271 PolarHBondContact O-N 3.46Å; K142-D273 VanDerWaalsContact CD-OD1 3.31Å; K142-D273 WeakPolarHBondContact CD-OD1 3.36Å; K142-D273 WeakPolarHBondContact CE-OD1 3.36Å; K142-D273 IonicContact NZ-OD1 2.98Å; K142-D273 PolarHBondContact NZ-OD1 2.76Å; K142-L276 HydrophobicContact CB-CD1 3.88Å; K142-L276 HydrophobicContact CD-CB 4.26Å; K142-L276 HydrophobicContact CD-CD1 4.47Å
143	Q	88.1	Confident	75.7	Confident	14 Å²	14	59 Å²	59	7%	0.065	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	140	176.1	-57.5	-171.6	-38.6	0	0	110.3	I135 R136 W268 K269 S270	I135-Q143 WeakPolarHBondContact CA-O 3.42Å; R136-Q143 HydrophobicContact CG-CB 4.06Å; R136-Q143 PolarHBondContact N-O 3.31Å; R136-Q143 PolarHBondContact O-N 3.46Å; Q143-W268 HydrophobicContact CB-CB 4.48Å; Q143-W268 HydrophobicContact CB-CE3 3.93Å; Q143-K269 CarbonylContact C-O 3.56Å; Q143-K269 WeakPolarHBondContact CA-O 3.18Å; Q143-K269 WeakPolarHBondContact CB-O 3.43Å; Q143-S270 PolarHBondContact NE2-OG 2.9Å
144	I	86.4	Confident	73.9	Confident	0 Å²	0	63 Å²	63	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	137.6	169.8	-60.2	174.2	0	0	0	107.5	I133 L134 I135 V146 K269 Y271 L276 V282 T285 A286	I133-I144 HydrophobicContact CG2-CG2 4.36Å; L134-I144 WeakPolarHBondContact O-CA 3.39Å; I135-I144 HydrophobicContact CG1-CG1 4.45Å; I144-V146 HydrophobicContact CB-CG1 4.39Å; I144-V146 HydrophobicContact CG2-CG1 3.95Å; I144-V146 PolarHBondContact O-N 3.45Å; I144-K269 PolarHBondContact N-O 3.17Å; I144-K269 PolarHBondContact O-N 3.35Å; I144-Y271 HydrophobicContact CB-CD2 4.31Å; I144-Y271 HydrophobicContact CB-CE2 3.94Å; I144-Y271 HydrophobicContact CD1-CD2 4.29Å; I144-Y271 HydrophobicContact CD1-CE2 4.31Å; I144-Y271 HydrophobicContact CG1-CD2 4.22Å; I144-Y271 HydrophobicContact CG1-CE2 4.28Å; I144-L276 HydrophobicContact CD1-CD1 3.67Å; I144-L276 HydrophobicContact CD1-CD2 3.53Å; I144-L276 HydrophobicContact CD1-CG 4.25Å; I144-L276 HydrophobicContact CG1-CD1 3.82Å; I144-V282 HydrophobicContact CD1-CB 4.33Å; I144-V282 HydrophobicContact CD1-CG1 3.94Å; I144-V282 HydrophobicContact CD1-CG2 4.41Å; I144-T285 HydrophobicContact CD1-CG2 3.95Å; I144-A286 HydrophobicContact CG2-CB 4.5Å
145	M	88.1	Confident	72.1	Confident	10 Å²	10	64.6 Å²	64.6	5%	0.049	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	117.4	172.4	-158.3	170.9	73.7	0	0	109.1	L134 F194 M255 L257 Y266 Q267 W268	L134-M145 HydrophobicContact CB-CB 3.96Å; L134-M145 HydrophobicContact CB-CE 4.28Å; L134-M145 HydrophobicContact CD1-CE 3.77Å; L134-M145 HydrophobicContact CD2-CE 3.88Å; L134-M145 HydrophobicContact CD2-SD 4.33Å; L134-M145 HydrophobicContact CG-CE 4.2Å; L134-M145 PolarHBondContact O-N 3.4Å; M145-F194 HydrophobicContact CE-CD1 4.41Å; M145-F194 HydrophobicContact CE-CE1 3.5Å; M145-F194 HydrophobicContact CE-CZ 3.99Å; M145-M255 HydrophobicContact CE-CE 3.99Å; M145-M255 HydrophobicContact SD-CE 3.53Å; M145-M255 VanDerWaalsContact SD-CE 3.53Å; M145-L257 HydrophobicContact CG-CD1 4.4Å; M145-L257 HydrophobicContact SD-CD1 4.3Å; M145-L257 HydrophobicContact SD-CD2 4.22Å; M145-Y266 HydrophobicContact CE-CD1 3.76Å; M145-Y266 HydrophobicContact CE-CD2 4.22Å; M145-Y266 HydrophobicContact CE-CE1 3.76Å; M145-Y266 HydrophobicContact CE-CE2 4.22Å; M145-Y266 HydrophobicContact CE-CG 3.96Å; M145-Y266 HydrophobicContact CG-CD1 3.72Å; M145-Y266 HydrophobicContact CG-CE1 4.38Å; M145-Y266 HydrophobicContact CG-CG 4.2Å; M145-Y266 HydrophobicContact SD-CD1 4.3Å; M145-Y266 HydrophobicContact SD-CG 4.33Å; M145-Q267 WeakPolarHBondContact CA-O 3.47Å; M145-W268 HydrophobicContact CB-CD2 4.21Å; M145-W268 HydrophobicContact CB-CE3 3.82Å; M145-W268 HydrophobicContact CB-CH2 4Å; M145-W268 HydrophobicContact CB-CZ2 4.33Å; M145-W268 HydrophobicContact CB-CZ3 3.72Å; M145-W268 HydrophobicContact CG-CD2 4.3Å; M145-W268 HydrophobicContact CG-CE3 4.41Å; M145-W268 HydrophobicContact CG-CZ2 4.46Å; M145-W268 HydrophobicContact SD-CH2 4.46Å; M145-W268 HydrophobicContact SD-CZ2 4Å
146	V	83.3	Confident	70.3	Confident	11 Å²	11	66.3 Å²	66.3	7%	0.067	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	156.9	-176.4	-61	0	0	0	0	109.6	I144 Y266 Q267 K269	I144-V146 HydrophobicContact CB-CG1 4.39Å; I144-V146 HydrophobicContact CG2-CG1 3.95Å; I144-V146 PolarHBondContact O-N 3.45Å; V146-Y266 CarbonylContact O-C 3.6Å; V146-Y266 WeakPolarHBondContact O-CA 3.38Å; V146-Q267 HydrophobicContact CG2-CG 3.93Å; V146-Q267 PolarHBondContact N-O 3.29Å; V146-Q267 WeakPolarHBondContact O-CG 3.45Å; V146-Q267 PolarHBondContact O-N 3.39Å; V146-K269 HydrophobicContact CG2-CB 3.77Å; V146-K269 HydrophobicContact CG2-CD 4.28Å
147	I	76.6	Confident	68.3	Low	21 Å²	21	69.3 Å²	69.3	11%	0.108	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	137.1	172.7	38.3	179.7	0	0	0	109.5	G167 P168 A170 L264 Y266	I147-G167 WeakPolarHBondContact CD1-O 3.41Å; I147-P168 WeakPolarHBondContact CD1-O 3.37Å; I147-P168 WeakPolarHBondContact CG1-O 3.42Å; I147-A170 HydrophobicContact CG2-CB 4.46Å; I147-L264 HydrophobicContact CG2-CB 4.22Å; I147-L264 WeakPolarHBondContact CG2-O 3.41Å; I147-Y266 HydrophobicContact CG2-CD1 3.73Å; I147-Y266 HydrophobicContact CG2-CE1 3.81Å; I147-Y266 HydrophobicContact CG2-CG 4.14Å
148	R	68.4	Low	66.4	Low	182 Å²	182	69.2 Å²	69.2	69%	0.687	35%	0.352	S	S	*	.			trans	-74.6	-33	-166.2	-177.1	175.9	-179.9	-170.8	1.5	114.7	D265 Q267	R148-D265 HydrophobicContact CB-CB 4.22Å; R148-D265 WeakPolarHBondContact CB-O 3.35Å; R148-D265 PolarHBondContact N-O 3.05Å; R148-D265 VanDerWaalsContact N-O 3.1Å; R148-Q267 HydrophobicContact CB-CG 4.35Å
149	K	56.4	Low	64.4	Low	130 Å²	130	73.2 Å²	73.2	57%	0.565	38%	0.384	S	S	*	.	S	Bend	trans	-77	154.2	-161.3	-87.2	-178.7	177.2	164.1	0	113.1	S151 D265	K149-S151 PolarHBondContact O-N 3.43Å; K149-S151 PolarHBondContact O-OG 2.94Å; K149-D265 VanDerWaalsContact CE-OD2 3.25Å; K149-D265 WeakPolarHBondContact CE-OD2 3.27Å; K149-D265 IonicContact NZ-OD2 2.85Å; K149-D265 PolarHBondContact NZ-OD2 3.19Å
150	N	48.1	Very low	62.3	Low	130 Å²	130	74.4 Å²	74.4	70%	0.695	39%	0.389	S	S	*	.			trans	-62.3	38.7	162.4	-67	-22.6	0	0	0	111.5	S152	N150-S152 VanDerWaalsContact C-N 3.25Å; N150-S152 PolarHBondContact O-N 2.91Å
151	S	45.3	Very low	60.7	Low	25 Å²	25	73.8 Å²	73.8	18%	0.175	38%	0.382	C	S	.	.			trans	-71.1	84.5	-169.3	32	0	0	0	0	109.7	K149	K149-S151 PolarHBondContact O-N 3.43Å; K149-S151 PolarHBondContact O-OG 2.94Å
152	S	47.1	Very low	58.8	Low	71 Å²	71	71.3 Å²	71.3	50%	0.497	37%	0.368	S	S	.	.			trans	-37.1	138	131.5	49.3	0	0	0	0	108.2	N150 E154	N150-S152 VanDerWaalsContact C-N 3.25Å; N150-S152 PolarHBondContact O-N 2.91Å; S152-E154 VanDerWaalsContact C-N 3.31Å; S152-E154 PolarHBondContact O-N 3.44Å
153	Y	49.4	Very low	57.2	Low	47 Å²	47	70.3 Å²	70.3	18%	0.184	37%	0.365	C	S	.	.	S	Bend	trans	-55.3	93.1	-177.9	-67	-102.5	0	0	0	111	N166 H228 P229 Y230 Q300	Y153-N166 VanDerWaalsContact CA-O 3.31Å; Y153-N166 WeakPolarHBondContact CA-O 3.24Å; Y153-N166 VanDerWaalsContact CD1-O 3.27Å; Y153-N166 WeakPolarHBondContact CD1-O 3.45Å; Y153-H228 AromaticContact CD1-NE2 3.48Å; Y153-H228 WeakPolarHBondContact CD1-NE2 3.29Å; Y153-H228 AromaticContact CE1-CD2 3.71Å; Y153-H228 AromaticContact CE1-NE2 3.6Å; Y153-P229 HydrophobicContact CD1-CB 4.47Å; Y153-P229 HydrophobicContact CD1-CG 3.65Å; Y153-P229 HydrophobicContact CD2-CB 4.47Å; Y153-P229 HydrophobicContact CD2-CG 3.56Å; Y153-P229 HydrophobicContact CE1-CG 3.63Å; Y153-P229 HydrophobicContact CE2-CG 3.56Å; Y153-P229 HydrophobicContact CG-CB 4.26Å; Y153-P229 HydrophobicContact CG-CG 3.58Å; Y153-Y230 WeakPolarHBondContact O-CE2 3.31Å; Y153-Y230 PolarHBondContact O-OH 2.86Å; Y153-Q300 VanDerWaalsContact CE2-NE2 3.35Å
154	E	52.5	Low	55.4	Low	88 Å²	88	71.9 Å²	71.9	41%	0.411	37%	0.371	S	S	.	.			trans	-98.1	132.7	179.5	-81.8	-179.3	-179.7	0	0	109.1	S152 Y164 N166	S152-E154 VanDerWaalsContact C-N 3.31Å; S152-E154 PolarHBondContact O-N 3.44Å; E154-Y164 VanDerWaalsContact O-O 3.05Å; E154-N166 PolarHBondContact O-N 2.95Å
155	V	51.9	Low	53.8	Low	34 Å²	34	72.7 Å²	72.7	21%	0.206	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	109.4	162.9	167.4	0	0	0	0	106.6	P120 I163 Y164 L165 Y230	P120-V155 HydrophobicContact CB-CG2 3.99Å; P120-V155 HydrophobicContact CG-CG2 4.25Å; V155-I163 HydrophobicContact CG1-CG1 4.41Å; V155-I163 HydrophobicContact CG1-CG2 3.64Å; V155-I163 HydrophobicContact CG2-CG2 4.43Å; V155-Y164 WeakPolarHBondContact CA-O 3.47Å; V155-L165 HydrophobicContact CG2-CD2 3.57Å; V155-Y230 HydrophobicContact CG2-CD1 4.37Å; V155-Y230 HydrophobicContact CG2-CD2 4.45Å; V155-Y230 HydrophobicContact CG2-CE1 3.78Å; V155-Y230 HydrophobicContact CG2-CE2 3.88Å
156	T	50	Low	52	Low	59 Å²	59	73.3 Å²	73.3	36%	0.362	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	114.3	171.8	20.2	0	0	0	0	109.4	T162 I163 Y164	T156-T162 VanDerWaalsContact O-O 3.13Å; T156-I163 WeakPolarHBondContact O-CA 3.33Å; T156-Y164 PolarHBondContact N-O 3.34Å; T156-Y164 PolarHBondContact O-N 2.93Å
157	T	47.4	Very low	50.6	Low	93 Å²	93	72.8 Å²	72.8	57%	0.571	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.5	117.9	173.1	-49.8	0	0	0	0	109.1	T162	T157-T162 CarbonylContact C-O 3.42Å; T157-T162 VanDerWaalsContact CA-O 3.29Å; T157-T162 WeakPolarHBondContact CA-O 3.28Å
158	T	46	Very low	49.7	Very low	57 Å²	57	74 Å²	74	35%	0.35	39%	0.385	S	S	.	.			trans	-72.4	166.4	171.3	58.1	0	0	0	0	111.2	R160 G161 T162 Y164	T158-R160 PolarHBondContact O-N 3.44Å; T158-G161 PolarHBondContact O-N 2.99Å; T158-T162 PolarHBondContact N-O 3.25Å; T158-T162 VanDerWaalsContact OG1-CB 3.29Å; T158-T162 WeakPolarHBondContact OG1-CB 3.36Å; T158-T162 PolarHBondContact OG1-N 3.37Å; T158-T162 PolarHBondContact OG1-OG1 2.94Å; T158-Y164 HydrophobicContact CG2-CD2 4.18Å; T158-Y164 HydrophobicContact CG2-CE2 3.56Å
159	V	41.9	Very low	49.8	Very low	163 Å²	163	65.9 Å²	65.9	99%	0.988	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-22.4	172.9	-160.3	0	0	0	0	112.4	G161	V159-G161 VanDerWaalsContact C-N 3.35Å
160	R	39.9	Very low	50.8	Low	233 Å²	233	59.9 Å²	59.9	88%	0.879	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	3.5	175.9	-65.3	-173.9	179.4	-179	0.7	114.2	T158 T162	T158-R160 PolarHBondContact O-N 3.44Å; R160-T162 VanDerWaalsContact C-N 3.32Å
161	G	43	Very low	52.4	Low	47 Å²	47	55.1 Å²	55.1	49%	0.485	31%	0.305	S	S	.	.			trans	79.8	5.8	-178.1	0	0	0	0	0	115	T158 V159	T158-G161 PolarHBondContact O-N 2.99Å; V159-G161 VanDerWaalsContact C-N 3.35Å
162	T	42.5	Very low	54.4	Low	9 Å²	9	54.3 Å²	54.3	6%	0.055	30%	0.299	C	S	.	.			trans	-73.6	129.8	179.1	-44.3	0	0	0	0	110.7	T156 T157 T158 R160 Y164 E187	T156-T162 VanDerWaalsContact O-O 3.13Å; T157-T162 CarbonylContact C-O 3.42Å; T157-T162 VanDerWaalsContact CA-O 3.29Å; T157-T162 WeakPolarHBondContact CA-O 3.28Å; T158-T162 PolarHBondContact N-O 3.25Å; T158-T162 VanDerWaalsContact OG1-CB 3.29Å; T158-T162 WeakPolarHBondContact OG1-CB 3.36Å; T158-T162 PolarHBondContact OG1-N 3.37Å; T158-T162 PolarHBondContact OG1-OG1 2.94Å; R160-T162 VanDerWaalsContact C-N 3.32Å; T162-Y164 HydrophobicContact CG2-CE2 4.08Å; T162-E187 HydrophobicContact CG2-CG 3.35Å
163	I	48.8	Very low	56	Low	53 Å²	53	52.7 Å²	52.7	27%	0.272	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	110.5	-177	-68	166.4	0	0	0	109.5	P120 V155 T156 L165 E187	P120-I163 HydrophobicContact CB-CG2 4.05Å; V155-I163 HydrophobicContact CG1-CG1 4.41Å; V155-I163 HydrophobicContact CG1-CG2 3.64Å; V155-I163 HydrophobicContact CG2-CG2 4.43Å; T156-I163 WeakPolarHBondContact O-CA 3.33Å; I163-L165 HydrophobicContact CG2-CD2 4.44Å; I163-L165 HydrophobicContact CG2-CG 4.31Å; I163-E187 VanDerWaalsContact O-OE1 3.05Å
164	Y	49.7	Very low	57.2	Low	46 Å²	46	54.2 Å²	54.2	18%	0.18	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	126.4	169.7	-61.5	-81.2	0	0	0	110.1	E154 V155 T156 T158 T162 H263 L264	E154-Y164 VanDerWaalsContact O-O 3.05Å; V155-Y164 WeakPolarHBondContact CA-O 3.47Å; T156-Y164 PolarHBondContact N-O 3.34Å; T156-Y164 PolarHBondContact O-N 2.93Å; T158-Y164 HydrophobicContact CG2-CD2 4.18Å; T158-Y164 HydrophobicContact CG2-CE2 3.56Å; T162-Y164 HydrophobicContact CG2-CE2 4.08Å; Y164-H263 AromaticContact CD1-CE1 3.64Å; Y164-H263 AromaticContact CE1-CE1 3.11Å; Y164-H263 WeakPolarHBondContact CE1-CE1 3.31Å; Y164-H263 AromaticContact CE1-ND1 3.95Å; Y164-H263 AromaticContact CE1-NE2 3.71Å; Y164-H263 AromaticContact CZ-CE1 3.39Å; Y164-H263 AromaticContact CZ-ND1 3.98Å; Y164-H263 AromaticContact CZ-NE2 3.74Å; Y164-L264 HydrophobicContact CD1-CD2 4.38Å
165	L	52.6	Low	58	Low	18 Å²	18	55.6 Å²	55.6	9%	0.094	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	103.4	171.8	-66.8	165.7	0	0	0	108.2	P120 W121 V155 I163 G167 M171 Y230	P120-L165 HydrophobicContact CB-CD2 4.16Å; P120-L165 HydrophobicContact CG-CD2 3.94Å; W121-L165 HydrophobicContact CD2-CD1 4.4Å; W121-L165 HydrophobicContact CE3-CD1 3.5Å; W121-L165 HydrophobicContact CH2-CD1 3.69Å; W121-L165 HydrophobicContact CZ3-CD1 3.08Å; V155-L165 HydrophobicContact CG2-CD2 3.57Å; I163-L165 HydrophobicContact CG2-CD2 4.44Å; I163-L165 HydrophobicContact CG2-CG 4.31Å; L165-G167 PolarHBondContact O-N 3.16Å; L165-M171 HydrophobicContact CB-CE 3.87Å; L165-Y230 HydrophobicContact CD2-CD2 3.62Å; L165-Y230 HydrophobicContact CD2-CE2 3.96Å; L165-Y230 HydrophobicContact CD2-CG 4.11Å
166	N	51	Low	58.3	Low	22 Å²	22	56.8 Å²	56.8	12%	0.118	30%	0.3	C	S	.	.			trans	-76.8	118.5	174.2	-68.2	-32.1	0	0	0	108.9	Y153 E154	Y153-N166 VanDerWaalsContact CA-O 3.31Å; Y153-N166 WeakPolarHBondContact CA-O 3.24Å; Y153-N166 VanDerWaalsContact CD1-O 3.27Å; Y153-N166 WeakPolarHBondContact CD1-O 3.45Å; E154-N166 PolarHBondContact O-N 2.95Å
167	G	54.9	Low	58.6	Low	1 Å²	1	61.9 Å²	61.9	1%	0.01	31%	0.313	C	S	.	.			trans	-102.9	-172	164.3	0	0	0	0	0	110.2	I147 L165 A169	I147-G167 WeakPolarHBondContact CD1-O 3.41Å; L165-G167 PolarHBondContact O-N 3.16Å; G167-A169 PolarHBondContact O-N 3.48Å
168	P	57.5	Low	58.7	Low	47 Å²	47	60.7 Å²	60.7	31%	0.305	31%	0.308	S	S	.	.	S	Bend	trans	-67.1	-24.9	170	28.8	-35.3	0	0	0	112.6	I147 F287	I147-P168 WeakPolarHBondContact CD1-O 3.37Å; I147-P168 WeakPolarHBondContact CG1-O 3.42Å; P168-F287 VanDerWaalsContact CB-C 3.49Å; P168-F287 WeakPolarHBondContact CB-O 3.46Å; P168-F287 HydrophobicContact CG-CB 4.3Å; P168-F287 HydrophobicContact CG-CD1 3.81Å; P168-F287 HydrophobicContact CG-CG 4.44Å; P168-F287 VanDerWaalsContact CG-O 3.26Å; P168-F287 WeakPolarHBondContact CG-O 3.25Å
169	A	70.1	Confident	58.7	Low	11 Å²	11	60.4 Å²	60.4	9%	0.091	32%	0.317	C	S	.	.	S	Bend	trans	-120.2	148.1	164.3	0	0	0	0	0	109.3	I131 G167	I131-A169 HydrophobicContact CG2-CB 3.85Å; G167-A169 PolarHBondContact O-N 3.48Å
170	A	78.1	Confident	59	Low	3 Å²	3	60.1 Å²	60.1	3%	0.025	31%	0.31	C	S	.	.			trans	-70.5	138.9	178.8	0	0	0	0	0	111.4	I147 F172 L264 Y266	I147-A170 HydrophobicContact CG2-CB 4.46Å; A170-F172 HydrophobicContact CB-CE2 4.06Å; A170-F172 HydrophobicContact CB-CZ 4.26Å; A170-L264 HydrophobicContact CB-CD1 3.76Å; A170-Y266 HydrophobicContact CB-CE2 4.25Å; A170-Y266 WeakPolarHBondContact CB-OH 3.42Å
171	M	81.9	Confident	59.2	Low	30 Å²	30	54.2 Å²	54.2	15%	0.148	30%	0.296	C	S	.	.			trans	-113.5	136.2	-179.4	-54.2	179.9	-73.9	0	0	109.5	M129 I131 L165 H228	M129-M171 HydrophobicContact SD-CB 4.49Å; I131-M171 HydrophobicContact CD1-CG 3.86Å; I131-M171 HydrophobicContact CD1-SD 4.35Å; I131-M171 HydrophobicContact CG1-CB 4.4Å; I131-M171 HydrophobicContact CG1-CG 3.98Å; L165-M171 HydrophobicContact CB-CE 3.87Å; M171-H228 WeakPolarHBondContact CE-NE2 3.46Å
172	F	86.2	Confident	59.2	Low	9 Å²	9	57.1 Å²	57.1	4%	0.039	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	133.3	179.3	-60	-90.6	0	0	0	110.1	M129 D130 P132 A170 R174 A190 Y193 F194 L264 Y266	M129-F172 CarbonylContact C-O 3.59Å; M129-F172 WeakPolarHBondContact CA-O 3.48Å; D130-F172 PolarHBondContact N-O 3.06Å; D130-F172 PolarHBondContact O-N 3.34Å; P132-F172 HydrophobicContact CG-CD2 3.92Å; P132-F172 HydrophobicContact CG-CE2 3.63Å; A170-F172 HydrophobicContact CB-CE2 4.06Å; A170-F172 HydrophobicContact CB-CZ 4.26Å; F172-R174 PolarHBondContact O-N 2.87Å; F172-A190 HydrophobicContact CB-CB 3.92Å; F172-A190 HydrophobicContact CD1-CB 4.14Å; F172-A190 HydrophobicContact CD2-CB 3.63Å; F172-A190 HydrophobicContact CE2-CB 4.15Å; F172-A190 HydrophobicContact CG-CB 3.62Å; F172-Y193 AromaticContact CE1-CD1 3.9Å; F172-Y193 HydrophobicContact CE1-CD1 3.9Å; F172-Y193 HydrophobicContact CE1-CD2 4.28Å; F172-Y193 AromaticContact CE1-CG 3.66Å; F172-Y193 HydrophobicContact CE1-CG 3.66Å; F172-Y193 AromaticContact CZ-CD1 3.85Å; F172-Y193 HydrophobicContact CZ-CD1 3.85Å; F172-Y193 HydrophobicContact CZ-CE1 4.44Å; F172-Y193 HydrophobicContact CZ-CG 4.11Å; F172-F194 HydrophobicContact CE2-CZ 4.46Å; F172-L264 HydrophobicContact CE1-CD1 3.85Å; F172-L264 HydrophobicContact CZ-CD1 3.62Å; F172-Y266 HydrophobicContact CZ-CE2 4.29Å
173	Y	80.4	Confident	59.4	Low	36 Å²	36	62.7 Å²	62.7	14%	0.141	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	134.6	172	-87.7	-89.5	0	0	0	111.2	K122 N127 M129 E187	K122-Y173 HydrophobicContact CB-CE1 3.83Å; K122-Y173 PolarHBondContact N-OH 3.18Å; N127-Y173 HydrophobicContact CB-CE1 4.05Å; N127-Y173 WeakPolarHBondContact OD1-CE1 3.28Å; N127-Y173 PolarHBondContact OD1-OH 3.28Å; M129-Y173 HydrophobicContact CE-CD1 3.92Å; M129-Y173 HydrophobicContact CE-CD2 3.65Å; M129-Y173 HydrophobicContact CE-CE1 3.53Å; M129-Y173 HydrophobicContact CE-CE2 3.3Å; M129-Y173 HydrophobicContact CE-CG 4.01Å; M129-Y173 HydrophobicContact SD-CD1 4Å; M129-Y173 HydrophobicContact SD-CD2 3.81Å; M129-Y173 HydrophobicContact SD-CE1 4.22Å; M129-Y173 HydrophobicContact SD-CE2 4.11Å; M129-Y173 HydrophobicContact SD-CG 3.82Å; Y173-E187 WeakPolarHBondContact CD2-OE2 3.33Å; Y173-E187 WeakPolarHBondContact CE2-OE2 3Å
174	R	75.9	Confident	59.2	Low	80 Å²	80	62.1 Å²	62.1	30%	0.302	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-80.2	134.9	178.1	-167.5	165.4	-179.7	-170.6	-6	110.4	R128 F172	R128-R174 HydrophobicContact CB-CB 4Å; R128-R174 WeakPolarHBondContact O-CB 3.46Å; R128-R174 PolarHBondContact O-N 2.87Å; F172-R174 PolarHBondContact O-N 2.87Å
175	K	68.2	Low	59.1	Low	116 Å²	116	63.6 Å²	63.6	50%	0.504	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-58.1	129.1	176.5	-155.9	166	-171.4	158.1	0	110.6	T189 E192	K175-T189 HydrophobicContact CB-CG2 4.18Å; K175-E192 IonicContact NZ-OE1 3.43Å
176	P	58.9	Low	58.9	Low	59 Å²	59	68 Å²	68	38%	0.383	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-57.3	144.3	173.7	-21.6	31	0	0	0	111	S178	P176-S178 VanDerWaalsContact C-N 3.35Å
177	R	55.2	Low	59.4	Low	166 Å²	166	69.3 Å²	69.3	63%	0.626	39%	0.388	S	S	*	.	S	Bend	trans	-74	-26.5	178.8	-75.4	-178.9	171.7	166.6	-6	112.9
178	S	49.7	Very low	60.2	Low	68 Å²	68	71.7 Å²	71.7	48%	0.476	40%	0.402	S	S	.	.	S	Bend	trans	-106.2	126.7	-178.1	40.5	0	0	0	0	110.5	P176 N180	P176-S178 VanDerWaalsContact C-N 3.35Å; S178-N180 PolarHBondContact O-N 3.15Å
179	G	46.3	Very low	61.4	Low	52 Å²	52	70.5 Å²	70.5	54%	0.536	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-66.7	-0.8	178.2	0	0	0	0	0	115.2	L182	G179-L182 WeakPolarHBondContact O-CD1 3.28Å; G179-L182 WeakPolarHBondContact O-CG 3.49Å
180	N	47.2	Very low	62.2	Low	156 Å²	156	70.1 Å²	70.1	83%	0.834	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-80.2	-14.7	-179.7	-74	5	0	0	0	113.7	S178 L182	S178-N180 PolarHBondContact O-N 3.15Å; N180-L182 VanDerWaalsContact C-N 3.32Å; N180-L182 PolarHBondContact O-N 2.79Å
181	D	45	Very low	62.6	Low	109 Å²	109	73.9 Å²	73.9	58%	0.583	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-95	37.7	176	-83.7	-21.9	0	0	0	112.7	S183	D181-S183 VanDerWaalsContact C-N 3.3Å; D181-S183 PolarHBondContact O-N 3.14Å
182	L	44	Very low	62.8	Low	108 Å²	108	76.2 Å²	76.2	57%	0.565	42%	0.419	S	S	*	.			trans	-77.6	-9.3	-178.1	-82.8	167.5	0	0	0	114.2	G179 N180 G184	G179-L182 WeakPolarHBondContact O-CD1 3.28Å; G179-L182 WeakPolarHBondContact O-CG 3.49Å; N180-L182 VanDerWaalsContact C-N 3.32Å; N180-L182 PolarHBondContact O-N 2.79Å; L182-G184 PolarHBondContact O-N 2.8Å
183	S	45.3	Very low	62.9	Low	126 Å²	126	75.9 Å²	75.9	88%	0.881	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	6.9	-166.5	55.9	0	0	0	0	116.4	D181	D181-S183 VanDerWaalsContact C-N 3.3Å; D181-S183 PolarHBondContact O-N 3.14Å
184	G	44.6	Very low	63.3	Low	41 Å²	41	74.1 Å²	74.1	42%	0.423	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-150.2	29.4	177.7	0	0	0	0	0	114.8	K122 L182 T186	K122-G184 VanDerWaalsContact CE-O 3.3Å; K122-G184 WeakPolarHBondContact CE-O 3.27Å; K122-G184 PolarHBondContact NZ-O 2.93Å; L182-G184 PolarHBondContact O-N 2.8Å; G184-T186 PolarHBondContact O-N 3.25Å
185	Q	47.4	Very low	63.8	Low	78 Å²	78	71 Å²	71	36%	0.364	40%	0.399	S	S	.	.			trans	-91.1	94.5	-169.8	-151.8	171.5	53.5	0	0	112.4
186	T	48.7	Very low	64.7	Low	110 Å²	110	66.8 Å²	66.8	68%	0.675	38%	0.384	S	S	*	.			trans	-127	4.2	170.4	52.3	0	0	0	0	114.7	G184	G184-T186 PolarHBondContact O-N 3.25Å
187	E	62.7	Low	66	Low	50 Å²	50	64 Å²	64	23%	0.234	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-95.3	137.5	176.6	-84.2	-179.3	-171.2	0	0	113.7	T162 I163 Y173	T162-E187 HydrophobicContact CG2-CG 3.35Å; I163-E187 VanDerWaalsContact O-OE1 3.05Å; Y173-E187 WeakPolarHBondContact CD2-OE2 3.33Å; Y173-E187 WeakPolarHBondContact CE2-OE2 3Å
188	T	70.9	Confident	67.5	Low	50 Å²	50	56.7 Å²	56.7	31%	0.307	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-72.2	119.2	178	30.6	0	0	0	0	110.5	E192	T188-E192 HydrophobicContact CG2-CB 4.4Å
189	T	83.6	Confident	68.9	Low	22 Å²	22	59.9 Å²	59.9	14%	0.135	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-62.6	161.5	168.1	59.7	0	0	0	0	110.8	K175 E191 E192 Y193	K175-T189 HydrophobicContact CB-CG2 4.18Å; T189-E191 PolarHBondContact O-N 3.41Å; T189-E192 WeakPolarHBondContact CB-OE2 3.25Å; T189-E192 WeakPolarHBondContact CG2-OE2 3.39Å; T189-E192 PolarHBondContact N-OE2 3.24Å; T189-E192 PolarHBondContact O-N 2.89Å; T189-E192 VanDerWaalsContact O-N 3.11Å; T189-E192 WeakPolarHBondContact OG1-CB 3.32Å; T189-E192 VanDerWaalsContact OG1-CG 3.25Å; T189-E192 WeakPolarHBondContact OG1-CG 3.38Å; T189-E192 PolarHBondContact OG1-N 3.15Å; T189-E192 PolarHBondContact OG1-OE2 3.48Å; T189-Y193 WeakPolarHBondContact O-CB 3.35Å; T189-Y193 PolarHBondContact O-N 2.99Å
190	A	86.8	Confident	70.2	Confident	4 Å²	4	59.2 Å²	59.2	3%	0.033	33%	0.334	C	S	.	.	H	α-helix	trans	-53.4	-39.5	174.7	0	0	0	0	0	112.1	P132 F172 F194 M215	P132-A190 HydrophobicContact CG-CB 4.39Å; F172-A190 HydrophobicContact CB-CB 3.92Å; F172-A190 HydrophobicContact CD1-CB 4.14Å; F172-A190 HydrophobicContact CD2-CB 3.63Å; F172-A190 HydrophobicContact CE2-CB 4.15Å; F172-A190 HydrophobicContact CG-CB 3.62Å; A190-F194 HydrophobicContact CB-CE2 4.17Å; A190-F194 WeakPolarHBondContact O-CD2 3.08Å; A190-F194 WeakPolarHBondContact O-CG 3.35Å; A190-F194 PolarHBondContact O-N 3.5Å; A190-M215 HydrophobicContact CB-CE 4.35Å
191	E	85.9	Confident	71.4	Confident	82 Å²	82	52.7 Å²	52.7	38%	0.383	30%	0.301	S	S	.	.	H	α-helix	trans	-67.5	-43.7	178.9	-66.4	173.8	-175.4	0	0	111.7	T189 H195 M215 K218	T189-E191 PolarHBondContact O-N 3.41Å; E191-H195 VanDerWaalsContact O-CB 3.24Å; E191-H195 WeakPolarHBondContact O-CB 3.45Å; E191-H195 PolarHBondContact O-N 3Å; E191-M215 HydrophobicContact CG-CB 4.35Å; E191-M215 HydrophobicContact CG-CE 3.55Å; E191-M215 HydrophobicContact CG-CG 4.06Å; E191-K218 IonicContact OE1-NZ 3.23Å
192	E	85.5	Confident	72.2	Confident	78 Å²	78	53.1 Å²	53.1	36%	0.364	31%	0.309	S	S	.	.	H	α-helix	trans	-67	-38.6	176.2	-72.7	155.8	171.7	0	0	111.9	K175 T188 T189 H195 S196	K175-E192 IonicContact NZ-OE1 3.43Å; T188-E192 HydrophobicContact CG2-CB 4.4Å; T189-E192 WeakPolarHBondContact CB-OE2 3.25Å; T189-E192 WeakPolarHBondContact CG2-OE2 3.39Å; T189-E192 PolarHBondContact N-OE2 3.24Å; T189-E192 PolarHBondContact O-N 2.89Å; T189-E192 VanDerWaalsContact O-N 3.11Å; T189-E192 WeakPolarHBondContact OG1-CB 3.32Å; T189-E192 VanDerWaalsContact OG1-CG 3.25Å; T189-E192 WeakPolarHBondContact OG1-CG 3.38Å; T189-E192 PolarHBondContact OG1-N 3.15Å; T189-E192 PolarHBondContact OG1-OE2 3.48Å; E192-H195 PolarHBondContact O-N 3.48Å; E192-S196 PolarHBondContact O-N 2.93Å
193	Y	88.1	Confident	73	Confident	2 Å²	2	52.2 Å²	52.2	1%	0.008	33%	0.326	C	S	.	.	H	α-helix	trans	-65.1	-49.8	175.8	-179.6	-93.6	0	0	0	111.9	F172 T189 H195 S196 L197 N262 H263 L264 Y266	F172-Y193 AromaticContact CE1-CD1 3.9Å; F172-Y193 HydrophobicContact CE1-CD1 3.9Å; F172-Y193 HydrophobicContact CE1-CD2 4.28Å; F172-Y193 AromaticContact CE1-CG 3.66Å; F172-Y193 HydrophobicContact CE1-CG 3.66Å; F172-Y193 AromaticContact CZ-CD1 3.85Å; F172-Y193 HydrophobicContact CZ-CD1 3.85Å; F172-Y193 HydrophobicContact CZ-CE1 4.44Å; F172-Y193 HydrophobicContact CZ-CG 4.11Å; T189-Y193 WeakPolarHBondContact O-CB 3.35Å; T189-Y193 PolarHBondContact O-N 2.99Å; Y193-H195 PolarHBondContact O-N 2.88Å; Y193-S196 PolarHBondContact O-N 2.87Å; Y193-S196 PolarHBondContact O-OG 3.37Å; Y193-L197 HydrophobicContact CD1-CD1 4.19Å; Y193-L197 HydrophobicContact CE1-CD1 3.56Å; Y193-L197 HydrophobicContact CE1-CG 4.22Å; Y193-L197 PolarHBondContact O-N 2.92Å; Y193-N262 WeakPolarHBondContact OH-CA 3.3Å; Y193-N262 PolarHBondContact OH-OD1 3.46Å; Y193-H263 AromaticContact CD2-NE2 3.61Å; Y193-H263 AromaticContact CE2-CD2 3.72Å; Y193-H263 AromaticContact CE2-CE1 3.81Å; Y193-H263 AromaticContact CE2-NE2 3.36Å; Y193-H263 WeakPolarHBondContact CE2-NE2 3.42Å; Y193-L264 HydrophobicContact CD1-CD1 4.39Å; Y193-L264 HydrophobicContact CD2-CD1 4.31Å; Y193-L264 HydrophobicContact CE1-CD1 3.95Å; Y193-L264 HydrophobicContact CE2-CD1 3.84Å; Y193-L264 HydrophobicContact CE2-CG 3.95Å; Y193-L264 WeakPolarHBondContact OH-CB 3.33Å; Y193-L264 PolarHBondContact OH-N 3.35Å; Y193-Y266 HydrophobicContact CD1-CE2 4.33Å; Y193-Y266 AromaticContact CE1-CD2 3.6Å; Y193-Y266 HydrophobicContact CE1-CD2 3.6Å; Y193-Y266 AromaticContact CE1-CE2 3.56Å; Y193-Y266 HydrophobicContact CE1-CE2 3.56Å
194	F	89.4	Confident	73.6	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-66.5	-30.2	176.7	-63.3	-44.4	0	0	0	112	P132 L134 M145 F172 A190 L197 L198 M215 L252 M255 Y266	P132-F194 HydrophobicContact CB-CE2 3.96Å; P132-F194 HydrophobicContact CB-CZ 4.14Å; P132-F194 HydrophobicContact CG-CE2 3.75Å; P132-F194 HydrophobicContact CG-CZ 3.65Å; L134-F194 HydrophobicContact CD1-CE1 4.46Å; L134-F194 HydrophobicContact CD1-CE2 4.07Å; L134-F194 HydrophobicContact CD1-CZ 3.74Å; M145-F194 HydrophobicContact CE-CD1 4.41Å; M145-F194 HydrophobicContact CE-CE1 3.5Å; M145-F194 HydrophobicContact CE-CZ 3.99Å; F172-F194 HydrophobicContact CE2-CZ 4.46Å; A190-F194 HydrophobicContact CB-CE2 4.17Å; A190-F194 WeakPolarHBondContact O-CD2 3.08Å; A190-F194 WeakPolarHBondContact O-CG 3.35Å; A190-F194 PolarHBondContact O-N 3.5Å; F194-L197 HydrophobicContact CD1-CD1 4.37Å; F194-L197 PolarHBondContact O-N 3.43Å; F194-L198 WeakPolarHBondContact O-CD1 3Å; F194-L198 VanDerWaalsContact O-CG 3.25Å; F194-L198 WeakPolarHBondContact O-CG 3.41Å; F194-L198 PolarHBondContact O-N 3.26Å; F194-M215 HydrophobicContact CD2-CE 4.06Å; F194-M215 HydrophobicContact CD2-SD 4.32Å; F194-M215 HydrophobicContact CE2-CE 4.3Å; F194-L252 HydrophobicContact CB-CD2 4Å; F194-L252 HydrophobicContact CD2-CD2 4.41Å; F194-L252 HydrophobicContact CG-CD2 4.18Å; F194-M255 HydrophobicContact CB-SD 4.11Å; F194-M255 HydrophobicContact CD1-CE 4.24Å; F194-M255 HydrophobicContact CD1-SD 3.84Å; F194-M255 HydrophobicContact CG-SD 4.24Å; F194-Y266 HydrophobicContact CE1-CE2 4.14Å
195	H	87.3	Confident	74.7	Confident	14 Å²	14	62 Å²	62	7%	0.065	34%	0.337	C	S	.	.	H	α-helix	trans	-64.2	-42.7	173.4	-168.3	-91.7	0	0	0	112.6	E191 E192 Y193 L197 L198 E199 R208 L211	E191-H195 VanDerWaalsContact O-CB 3.24Å; E191-H195 WeakPolarHBondContact O-CB 3.45Å; E191-H195 PolarHBondContact O-N 3Å; E192-H195 PolarHBondContact O-N 3.48Å; Y193-H195 PolarHBondContact O-N 2.88Å; H195-L197 VanDerWaalsContact C-N 3.29Å; H195-L197 PolarHBondContact O-N 3.02Å; H195-L198 WeakPolarHBondContact O-CB 3.44Å; H195-L198 PolarHBondContact O-N 3.15Å; H195-E199 VanDerWaalsContact CE1-CG 3.49Å; H195-E199 WeakPolarHBondContact CE1-CG 3.39Å; H195-E199 IonicContact CE1-OE1 3.38Å; H195-E199 PolarHBondContact CE1-OE1 3.5Å; H195-E199 IonicContact CE1-OE2 3.77Å; H195-E199 IonicContact ND1-OE1 3.92Å; H195-E199 PolarHBondContact ND1-OE1 3.21Å; H195-E199 IonicContact ND1-OE2 3.95Å; H195-E199 PolarHBondContact O-N 3.39Å; H195-R208 VanDerWaalsContact CD2-CG 3.48Å; H195-R208 WeakPolarHBondContact CD2-CG 3.17Å; H195-R208 WeakPolarHBondContact NE2-CG 3.09Å; H195-L211 HydrophobicContact CB-CD2 3.72Å
196	S	86	Confident	76.1	Confident	27 Å²	27	59 Å²	59	19%	0.189	33%	0.325	C	S	.	.	H	α-helix	trans	-63.3	-36.9	178.5	67.5	0	0	0	0	111.9	E192 Y193 L198 E199 S200	E192-S196 PolarHBondContact O-N 2.93Å; Y193-S196 PolarHBondContact O-N 2.87Å; Y193-S196 PolarHBondContact O-OG 3.37Å; S196-L198 PolarHBondContact O-N 3.31Å; S196-E199 PolarHBondContact O-N 2.85Å; S196-S200 PolarHBondContact O-N 3.29Å; S196-S200 PolarHBondContact O-OG 3.4Å
197	L	87	Confident	77.7	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-65.2	-26.4	173.2	-62.5	-176.2	0	0	0	113.8	Y193 F194 H195 S201 M255 N256 L257 E261 N262	Y193-L197 HydrophobicContact CD1-CD1 4.19Å; Y193-L197 HydrophobicContact CE1-CD1 3.56Å; Y193-L197 HydrophobicContact CE1-CG 4.22Å; Y193-L197 PolarHBondContact O-N 2.92Å; F194-L197 HydrophobicContact CD1-CD1 4.37Å; F194-L197 PolarHBondContact O-N 3.43Å; H195-L197 VanDerWaalsContact C-N 3.29Å; H195-L197 PolarHBondContact O-N 3.02Å; L197-S201 PolarHBondContact O-OG 2.94Å; L197-M255 HydrophobicContact CB-CB 4.48Å; L197-M255 HydrophobicContact CB-SD 4.48Å; L197-M255 HydrophobicContact CD1-SD 4.41Å; L197-N256 PolarHBondContact O-N 2.91Å; L197-L257 HydrophobicContact CD1-CD2 3.97Å; L197-E261 HydrophobicContact CD2-CB 4.16Å; L197-N262 HydrophobicContact CD2-CB 3.6Å
198	L	85.2	Confident	78.5	Confident	14 Å²	14	62.7 Å²	62.7	7%	0.073	33%	0.334	C	S	.	.	H	α-helix	trans	-84	-35.4	177.7	-70	167.5	0	0	0	112.3	F194 H195 S196 S200 S201 C206 L211 C251 M255	F194-L198 WeakPolarHBondContact O-CD1 3Å; F194-L198 VanDerWaalsContact O-CG 3.25Å; F194-L198 WeakPolarHBondContact O-CG 3.41Å; F194-L198 PolarHBondContact O-N 3.26Å; H195-L198 WeakPolarHBondContact O-CB 3.44Å; H195-L198 PolarHBondContact O-N 3.15Å; S196-L198 PolarHBondContact O-N 3.31Å; L198-S200 PolarHBondContact O-N 2.97Å; L198-S201 WeakPolarHBondContact O-CB 3.41Å; L198-S201 PolarHBondContact O-N 3.46Å; L198-S201 VanDerWaalsContact O-N 3.07Å; L198-C206 HydrophobicContact CD1-CB 4.29Å; L198-L211 HydrophobicContact CD1-CD1 3.94Å; L198-L211 HydrophobicContact CD1-CD2 4.01Å; L198-L211 HydrophobicContact CD1-CG 4.41Å; L198-C251 HydrophobicContact CD1-CB 3.95Å; L198-C251 HydrophobicContact CD2-CB 4.24Å; L198-C251 WeakPolarHBondContact CD2-O 3.26Å; L198-M255 HydrophobicContact CD2-CG 3.67Å; L198-M255 HydrophobicContact CG-CG 4.08Å
199	E	80.4	Confident	79.1	Confident	134 Å²	134	67.5 Å²	67.5	63%	0.626	35%	0.353	S	S	*	.	H	α-helix	trans	-61.9	-33.9	174.4	-77	179	147.9	0	0	111.6	H195 S196 S201	H195-E199 VanDerWaalsContact CE1-CG 3.49Å; H195-E199 WeakPolarHBondContact CE1-CG 3.39Å; H195-E199 IonicContact CE1-OE1 3.38Å; H195-E199 PolarHBondContact CE1-OE1 3.5Å; H195-E199 IonicContact CE1-OE2 3.77Å; H195-E199 IonicContact ND1-OE1 3.92Å; H195-E199 PolarHBondContact ND1-OE1 3.21Å; H195-E199 IonicContact ND1-OE2 3.95Å; H195-E199 PolarHBondContact O-N 3.39Å; S196-E199 PolarHBondContact O-N 2.85Å; E199-S201 VanDerWaalsContact C-N 3.28Å; E199-S201 PolarHBondContact O-N 2.64Å
200	S	74.3	Confident	79.2	Confident	38 Å²	38	70.1 Å²	70.1	27%	0.266	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-0.4	174.9	-58.4	0	0	0	0	114.3	S196 L198 N256 A259 E261	S196-S200 PolarHBondContact O-N 3.29Å; S196-S200 PolarHBondContact O-OG 3.4Å; L198-S200 PolarHBondContact O-N 2.97Å; S200-N256 PolarHBondContact O-ND2 3.4Å; S200-A259 VanDerWaalsContact CB-CB 3.48Å; S200-E261 PolarHBondContact OG-OE2 3.5Å
201	S	71.4	Confident	79.1	Confident	20 Å²	20	70.2 Å²	70.2	14%	0.14	36%	0.362	C	S	.	.	S	Bend	trans	-81.9	125.9	-180	-77.1	0	0	0	0	112.6	L197 L198 E199 N254 N256	L197-S201 PolarHBondContact O-OG 2.94Å; L198-S201 WeakPolarHBondContact O-CB 3.41Å; L198-S201 PolarHBondContact O-N 3.46Å; L198-S201 VanDerWaalsContact O-N 3.07Å; E199-S201 VanDerWaalsContact C-N 3.28Å; E199-S201 PolarHBondContact O-N 2.64Å; S201-N254 PolarHBondContact OG-O 3.07Å; S201-N256 WeakPolarHBondContact OG-CB 3.22Å; S201-N256 PolarHBondContact OG-N 2.86Å
202	P	62.6	Low	79.1	Confident	117 Å²	117	67.9 Å²	67.9	76%	0.76	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	135.5	175.5	-18.8	30.4	0	0	0	112.8	W204	P202-W204 VanDerWaalsContact C-N 3.31Å; P202-W204 PolarHBondContact O-N 3.22Å
203	G	59.7	Low	79	Confident	90 Å²	90	68.3 Å²	68.3	93%	0.928	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.5	-6.8	160.9	0	0	0	0	0	117.4
204	W	58.8	Low	78.8	Confident	155 Å²	155	69.6 Å²	69.6	59%	0.587	37%	0.368	S	S	*	.			trans	-132	103.6	-178	-149.6	-63	0	0	0	111.8	P202 C206	P202-W204 VanDerWaalsContact C-N 3.31Å; P202-W204 PolarHBondContact O-N 3.22Å; W204-C206 PolarHBondContact O-N 2.89Å
205	K	67.3	Low	78.5	Confident	216 Å²	216	69.7 Å²	69.7	94%	0.939	37%	0.368	S	S	*	.			trans	-83.6	103.8	176.9	-73.8	-175.4	177.2	-179.6	0	110.6
206	C	77.4	Confident	78.2	Confident	17 Å²	17	76.2 Å²	76.2	12%	0.115	40%	0.397	C	S	.	.			trans	-85.6	127	163.5	-176.7	0	0	0	0	109.4	L198 W204 C251	L198-C206 HydrophobicContact CD1-CB 4.29Å; W204-C206 PolarHBondContact O-N 2.89Å; C206-C251 HydrophobicContact CB-CB 3.71Å; C206-C251 WeakPolarHBondContact CB-SG 3.44Å; C206-C251 WeakPolarHBondContact SG-CB 3.43Å; C206-C251 CovalentContact SG-SG 2.02Å; C206-C251 PolarHBondContact SG-SG 3.41Å
207	S	81.7	Confident	77.8	Confident	64 Å²	64	79.3 Å²	79.3	45%	0.448	42%	0.415	S	S	.	.			trans	-77.2	152.9	173.3	67.5	0	0	0	0	111.4	E209 K210 L211	S207-E209 PolarHBondContact O-N 3.12Å; S207-K210 PolarHBondContact O-N 3.03Å; S207-K210 WeakPolarHBondContact OG-CB 3.42Å; S207-K210 PolarHBondContact OG-N 3.15Å; S207-L211 PolarHBondContact O-N 3.41Å
208	R	79.4	Confident	77.7	Confident	173 Å²	173	82 Å²	82	65%	0.653	43%	0.426	S	S	*	.	H	α-helix	trans	-50.8	-40.8	171.6	-78.5	-171.3	176.8	-169.7	0.8	112.6	H195 L211 A212	H195-R208 VanDerWaalsContact CD2-CG 3.48Å; H195-R208 WeakPolarHBondContact CD2-CG 3.17Å; H195-R208 WeakPolarHBondContact NE2-CG 3.09Å; R208-L211 PolarHBondContact O-N 3.03Å; R208-A212 VanDerWaalsContact O-CB 3.3Å; R208-A212 WeakPolarHBondContact O-CB 3.46Å; R208-A212 PolarHBondContact O-N 3.34Å
209	E	82.9	Confident	77.3	Confident	151 Å²	151	88.4 Å²	88.4	71%	0.706	45%	0.45	S	S	*	.	H	α-helix	trans	-65.6	-40.8	178.4	-71.4	-175.4	154.6	0	0	112.6	S207 A212 N213	S207-E209 PolarHBondContact O-N 3.12Å; E209-A212 PolarHBondContact O-N 3.39Å; E209-N213 WeakPolarHBondContact O-CB 3.25Å; E209-N213 VanDerWaalsContact O-CG 3.26Å; E209-N213 PolarHBondContact O-N 2.84Å; E209-N213 PolarHBondContact O-ND2 2.85Å
210	K	85.7	Confident	77.4	Confident	77 Å²	77	86.6 Å²	86.6	34%	0.335	44%	0.44	S	S	.	.	H	α-helix	trans	-64.1	-46.9	177	-173.9	179	172.7	-161.5	0	110.4	S207 A212 N213 E214 N249 C251	S207-K210 PolarHBondContact O-N 3.03Å; S207-K210 WeakPolarHBondContact OG-CB 3.42Å; S207-K210 PolarHBondContact OG-N 3.15Å; K210-A212 PolarHBondContact O-N 2.94Å; K210-N213 PolarHBondContact O-N 3.17Å; K210-E214 WeakPolarHBondContact CE-OE1 3.48Å; K210-E214 IonicContact NZ-OE1 3.83Å; K210-E214 PolarHBondContact O-N 2.87Å; K210-N249 PolarHBondContact NZ-O 2.82Å; K210-N249 VanDerWaalsContact NZ-O 3.11Å; K210-C251 VanDerWaalsContact CD-SG 3.51Å
211	L	86.2	Confident	77.5	Confident	5 Å²	5	85.3 Å²	85.3	3%	0.026	43%	0.43	C	S	.	.	H	α-helix	trans	-58.9	-47.7	175.2	177.7	63.2	0	0	0	111.6	H195 L198 S207 R208 N213 E214 M215 L252	H195-L211 HydrophobicContact CB-CD2 3.72Å; L198-L211 HydrophobicContact CD1-CD1 3.94Å; L198-L211 HydrophobicContact CD1-CD2 4.01Å; L198-L211 HydrophobicContact CD1-CG 4.41Å; S207-L211 PolarHBondContact O-N 3.41Å; R208-L211 PolarHBondContact O-N 3.03Å; L211-N213 PolarHBondContact O-N 2.94Å; L211-E214 PolarHBondContact O-N 2.98Å; L211-E214 VanDerWaalsContact O-N 3.15Å; L211-M215 HydrophobicContact CD1-CG 4.06Å; L211-M215 HydrophobicContact CG-CG 4.27Å; L211-M215 WeakPolarHBondContact O-CB 3.33Å; L211-M215 VanDerWaalsContact O-CG 3.24Å; L211-M215 WeakPolarHBondContact O-CG 3.27Å; L211-M215 PolarHBondContact O-N 2.82Å; L211-L252 HydrophobicContact CD1-CD2 3.68Å; L211-L252 HydrophobicContact CD1-CG 4.13Å
212	A	85.2	Confident	77.8	Confident	33 Å²	33	84.9 Å²	84.9	27%	0.273	43%	0.425	S	S	.	.	H	α-helix	trans	-59.1	-37.5	178.1	0	0	0	0	0	111.9	R208 E209 K210 K216	R208-A212 VanDerWaalsContact O-CB 3.3Å; R208-A212 WeakPolarHBondContact O-CB 3.46Å; R208-A212 PolarHBondContact O-N 3.34Å; E209-A212 PolarHBondContact O-N 3.39Å; K210-A212 PolarHBondContact O-N 2.94Å; A212-K216 WeakPolarHBondContact O-CG 3.33Å; A212-K216 PolarHBondContact O-N 2.94Å; A212-K216 VanDerWaalsContact O-N 3.17Å
213	N	82.8	Confident	78.8	Confident	88 Å²	88	82.1 Å²	82.1	47%	0.471	40%	0.404	S	S	.	.	H	α-helix	trans	-70.7	-38.9	175.6	-72.4	-24.8	0	0	0	112.7	E209 K210 L211 K216	E209-N213 WeakPolarHBondContact O-CB 3.25Å; E209-N213 VanDerWaalsContact O-CG 3.26Å; E209-N213 PolarHBondContact O-N 2.84Å; E209-N213 PolarHBondContact O-ND2 2.85Å; K210-N213 PolarHBondContact O-N 3.17Å; L211-N213 PolarHBondContact O-N 2.94Å; N213-K216 WeakPolarHBondContact O-CB 3.44Å; N213-K216 PolarHBondContact O-N 3.48Å; N213-K216 PolarHBondContact OD1-NZ 3.11Å
214	E	84.3	Confident	79.8	Confident	29 Å²	29	79.8 Å²	79.8	14%	0.136	37%	0.374	C	S	.	.	H	α-helix	trans	-64.2	-41.2	172.6	-71.6	-176.6	-162.4	0	0	111.5	K210 L211 K216 T217 S250 C251	K210-E214 WeakPolarHBondContact CE-OE1 3.48Å; K210-E214 IonicContact NZ-OE1 3.83Å; K210-E214 PolarHBondContact O-N 2.87Å; L211-E214 PolarHBondContact O-N 2.98Å; L211-E214 VanDerWaalsContact O-N 3.15Å; E214-K216 PolarHBondContact O-N 2.87Å; E214-T217 WeakPolarHBondContact O-CB 3.39Å; E214-T217 PolarHBondContact O-N 2.81Å; E214-T217 PolarHBondContact O-OG1 3.2Å; E214-S250 WeakPolarHBondContact OE1-CA 3.49Å; E214-S250 WeakPolarHBondContact OE2-CA 3.48Å; E214-S250 WeakPolarHBondContact OE2-CB 3.33Å; E214-S250 PolarHBondContact OE2-OG 2.9Å; E214-C251 VanDerWaalsContact CD-N 3.31Å; E214-C251 PolarHBondContact OE1-N 3.47Å; E214-C251 PolarHBondContact OE1-SG 2.83Å; E214-C251 PolarHBondContact OE2-N 2.96Å
215	M	83.7	Confident	80.8	Confident	1 Å²	1	73 Å²	73	1%	0.005	35%	0.348	C	S	.	.	H	α-helix	trans	-64.4	-21.4	175.9	-68.7	-69.9	-79.5	0	0	112.8	A190 E191 F194 L211 T217 K218 Y242 I244 L252	A190-M215 HydrophobicContact CB-CE 4.35Å; E191-M215 HydrophobicContact CG-CB 4.35Å; E191-M215 HydrophobicContact CG-CE 3.55Å; E191-M215 HydrophobicContact CG-CG 4.06Å; F194-M215 HydrophobicContact CD2-CE 4.06Å; F194-M215 HydrophobicContact CD2-SD 4.32Å; F194-M215 HydrophobicContact CE2-CE 4.3Å; L211-M215 HydrophobicContact CD1-CG 4.06Å; L211-M215 HydrophobicContact CG-CG 4.27Å; L211-M215 WeakPolarHBondContact O-CB 3.33Å; L211-M215 VanDerWaalsContact O-CG 3.24Å; L211-M215 WeakPolarHBondContact O-CG 3.27Å; L211-M215 PolarHBondContact O-N 2.82Å; M215-T217 VanDerWaalsContact C-N 3.31Å; M215-K218 WeakPolarHBondContact O-CB 3.41Å; M215-K218 WeakPolarHBondContact O-CD 3.28Å; M215-K218 WeakPolarHBondContact O-CE 3.48Å; M215-K218 WeakPolarHBondContact O-CG 3.24Å; M215-Y242 HydrophobicContact CE-CE2 4.5Å; M215-I244 HydrophobicContact CE-CD1 4.25Å; M215-I244 HydrophobicContact SD-CD1 3.4Å; M215-I244 WeakPolarHBondContact SD-CD1 3.35Å; M215-L252 HydrophobicContact SD-CD1 4.21Å
216	K	80.8	Confident	81.5	Confident	151 Å²	151	63.4 Å²	63.4	66%	0.657	31%	0.307	S	S	*	.	H	α-helix	trans	-72.9	-21.4	170.8	-71.3	168.4	-167.3	165.5	0	113	A212 N213 E214 K218	A212-K216 WeakPolarHBondContact O-CG 3.33Å; A212-K216 PolarHBondContact O-N 2.94Å; A212-K216 VanDerWaalsContact O-N 3.17Å; N213-K216 WeakPolarHBondContact O-CB 3.44Å; N213-K216 PolarHBondContact O-N 3.48Å; N213-K216 PolarHBondContact OD1-NZ 3.11Å; E214-K216 PolarHBondContact O-N 2.87Å; K216-K218 PolarHBondContact O-N 2.73Å
217	T	77.6	Confident	81.5	Confident	93 Å²	93	63.4 Å²	63.4	57%	0.571	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-4	178.2	72.7	0	0	0	0	113.4	E214 M215	E214-T217 WeakPolarHBondContact O-CB 3.39Å; E214-T217 PolarHBondContact O-N 2.81Å; E214-T217 PolarHBondContact O-OG1 3.2Å; M215-T217 VanDerWaalsContact C-N 3.31Å
218	K	83.6	Confident	81.3	Confident	56 Å²	56	60.7 Å²	60.7	24%	0.243	29%	0.287	C	S	.	.			trans	-58	137.5	-180	69.4	-169.8	155.2	-163.8	0	112.4	E191 M215 K216 Y242 I243 I244	E191-K218 IonicContact OE1-NZ 3.23Å; M215-K218 WeakPolarHBondContact O-CB 3.41Å; M215-K218 WeakPolarHBondContact O-CD 3.28Å; M215-K218 WeakPolarHBondContact O-CE 3.48Å; M215-K218 WeakPolarHBondContact O-CG 3.24Å; K216-K218 PolarHBondContact O-N 2.73Å; K218-Y242 HydrophobicContact CB-CD2 3.57Å; K218-Y242 HydrophobicContact CB-CE2 4.22Å; K218-Y242 HydrophobicContact CB-CG 4.08Å; K218-Y242 HydrophobicContact CD-CD1 4.01Å; K218-Y242 HydrophobicContact CD-CD2 3.46Å; K218-Y242 VanDerWaalsContact CD-CD2 3.46Å; K218-Y242 HydrophobicContact CD-CE1 4.09Å; K218-Y242 HydrophobicContact CD-CE2 3.52Å; K218-Y242 HydrophobicContact CD-CG 3.69Å; K218-Y242 HydrophobicContact CG-CD2 3.97Å; K218-Y242 HydrophobicContact CG-CE2 4.45Å; K218-Y242 HydrophobicContact CG-CG 4.12Å; K218-I243 CarbonylContact C-O 3.41Å; K218-I243 WeakPolarHBondContact CA-O 3.11Å; K218-I244 HydrophobicContact CB-CD1 4.18Å; K218-I244 HydrophobicContact CB-CG1 3.59Å
219	R	78.3	Confident	81	Confident	149 Å²	149	53.8 Å²	53.8	56%	0.562	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.9	109.5	177.5	-62	-174.8	-177.6	-163.7	-0.5	109.3	I221 Y242 I243	R219-I221 PolarHBondContact O-N 3.44Å; R219-Y242 CarbonylContact O-C 3.49Å; R219-Y242 WeakPolarHBondContact O-CA 3.36Å; R219-Y242 WeakPolarHBondContact O-CB 3.37Å; R219-I243 PolarHBondContact N-O 3.15Å; R219-I243 PolarHBondContact O-N 3.18Å
220	K	81.3	Confident	80.9	Confident	95 Å²	95	46.6 Å²	46.6	41%	0.413	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	129.1	173.9	172.6	-177.6	38.8	165.9	0	109.3	N223 K240	K220-N223 HydrophobicContact CD-CB 3.72Å; K220-N223 HydrophobicContact CG-CB 4.24Å; K220-K240 HydrophobicContact CG-CG 4.42Å
221	I	77.3	Confident	80.9	Confident	12 Å²	12	43 Å²	43	6%	0.062	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	-20.8	176.9	57.6	164.8	0	0	0	112.4	I133 R219 V241 I243 L279 V283 I314	I133-I221 HydrophobicContact CD1-CD1 4.16Å; R219-I221 PolarHBondContact O-N 3.44Å; I221-V241 HydrophobicContact CD1-CB 4.35Å; I221-V241 HydrophobicContact CD1-CG1 3.79Å; I221-V241 HydrophobicContact CG1-CB 3.96Å; I221-V241 HydrophobicContact CG1-CG1 3.89Å; I221-V241 WeakPolarHBondContact CG1-O 3.47Å; I221-V241 PolarHBondContact N-O 3.22Å; I221-I243 HydrophobicContact CD1-CD1 3.99Å; I221-I243 HydrophobicContact CD1-CG1 4.15Å; I221-I243 HydrophobicContact CG2-CD1 4.19Å; I221-L279 HydrophobicContact CD1-CD1 4.48Å; I221-L279 HydrophobicContact CG2-CD1 4.33Å; I221-L279 HydrophobicContact CG2-CD2 3.91Å; I221-V283 HydrophobicContact CD1-CG2 3.48Å; I221-V283 VanDerWaalsContact CD1-CG2 3.48Å; I221-I314 HydrophobicContact CB-CD1 4.4Å; I221-I314 VanDerWaalsContact O-CD1 3.26Å; I221-I314 WeakPolarHBondContact O-CD1 3.39Å
222	F	77	Confident	81	Confident	10 Å²	10	42.8 Å²	42.8	4%	0.044	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	143.4	176.6	-173.5	-99.2	0	0	0	109.5	S224 Y225 L226 A239 K240 V241 V307 S310	F222-S224 WeakPolarHBondContact CE1-O 3.1Å; F222-Y225 WeakPolarHBondContact CZ-O 3.39Å; F222-L226 HydrophobicContact CE1-CB 4.19Å; F222-L226 HydrophobicContact CE1-CD1 4.4Å; F222-A239 HydrophobicContact CD1-CB 4.5Å; F222-A239 WeakPolarHBondContact CD1-O 3.24Å; F222-K240 CarbonylContact O-C 3.54Å; F222-K240 VanDerWaalsContact O-CA 3.3Å; F222-K240 WeakPolarHBondContact O-CA 3.32Å; F222-V241 HydrophobicContact CB-CB 3.76Å; F222-V241 HydrophobicContact CB-CG2 3.77Å; F222-V241 HydrophobicContact CD1-CG2 3.97Å; F222-V241 HydrophobicContact CG-CG2 4.23Å; F222-V241 PolarHBondContact N-O 2.91Å; F222-V241 PolarHBondContact O-N 3.28Å; F222-V307 HydrophobicContact CB-CG1 4.31Å; F222-V307 HydrophobicContact CD1-CG2 4.46Å; F222-V307 HydrophobicContact CD2-CB 4.38Å; F222-V307 HydrophobicContact CD2-CG1 4.47Å; F222-V307 HydrophobicContact CD2-CG2 4.06Å; F222-V307 HydrophobicContact CE2-CG2 4.14Å; F222-V307 HydrophobicContact CG-CG1 4.48Å; F222-V307 HydrophobicContact CG-CG2 4.21Å; F222-V307 HydrophobicContact CZ-CG2 4.36Å; F222-S310 WeakPolarHBondContact CD2-OG 3.07Å
223	N	83.6	Confident	81.2	Confident	60 Å²	60	41.2 Å²	41.2	32%	0.321	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	68.2	176.6	-177.5	73.3	0	0	0	110.3	K220 A239 K240	K220-N223 HydrophobicContact CD-CB 3.72Å; K220-N223 HydrophobicContact CG-CB 4.24Å; N223-A239 VanDerWaalsContact CA-O 3.27Å; N223-A239 WeakPolarHBondContact CA-O 3.45Å; N223-K240 WeakPolarHBondContact OD1-CE 3.17Å
224	S	79.8	Confident	81.5	Confident	40 Å²	40	37.4 Å²	37.4	28%	0.28	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	-173.1	-177.9	-160.2	0	0	0	0	110.7	F222 L226 K238 A239	F222-S224 WeakPolarHBondContact CE1-O 3.1Å; S224-L226 PolarHBondContact O-N 2.97Å; S224-K238 CarbonylContact O-C 3.53Å; S224-K238 WeakPolarHBondContact O-CA 3.4Å; S224-A239 PolarHBondContact N-O 3.42Å; S224-A239 PolarHBondContact O-N 2.98Å
225	Y	81.3	Confident	81.8	Confident	12 Å²	12	36 Å²	36	5%	0.047	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.7	132.5	169.4	-178.3	-83	0	0	0	110.5	N108 P109 E110 F222 E231 W236 V237	N108-Y225 PolarHBondContact ND2-OH 2.95Å; N108-Y225 VanDerWaalsContact OD1-CE2 3.26Å; N108-Y225 WeakPolarHBondContact OD1-CE2 3.38Å; N108-Y225 PolarHBondContact OD1-OH 2.91Å; N108-Y225 VanDerWaalsContact OD1-OH 3.1Å; P109-Y225 HydrophobicContact CG-CD2 4.19Å; P109-Y225 HydrophobicContact CG-CE2 4.47Å; E110-Y225 HydrophobicContact CB-CD1 4.5Å; E110-Y225 HydrophobicContact CB-CD2 4.45Å; E110-Y225 HydrophobicContact CB-CE1 4.03Å; E110-Y225 HydrophobicContact CB-CE2 3.96Å; E110-Y225 HydrophobicContact CG-CD1 3.47Å; E110-Y225 VanDerWaalsContact CG-CD1 3.47Å; E110-Y225 HydrophobicContact CG-CD2 3.57Å; E110-Y225 HydrophobicContact CG-CE1 3.47Å; E110-Y225 VanDerWaalsContact CG-CE1 3.47Å; E110-Y225 HydrophobicContact CG-CE2 3.55Å; E110-Y225 HydrophobicContact CG-CG 3.49Å; E110-Y225 VanDerWaalsContact CG-CG 3.49Å; E110-Y225 VanDerWaalsContact CG-CZ 3.46Å; F222-Y225 WeakPolarHBondContact CZ-O 3.39Å; Y225-E231 PolarHBondContact OH-OE2 3.32Å; Y225-W236 HydrophobicContact CD2-CB 4.38Å; Y225-W236 AromaticContact CD2-CD1 3.6Å; Y225-W236 HydrophobicContact CD2-CG 4.2Å; Y225-W236 HydrophobicContact CE2-CB 3.69Å; Y225-W236 AromaticContact CE2-CD1 3.75Å; Y225-W236 AromaticContact CE2-CG 3.88Å; Y225-W236 HydrophobicContact CE2-CG 3.88Å; Y225-V237 WeakPolarHBondContact CA-O 3.4Å
226	L	81.1	Confident	82	Confident	15 Å²	15	37.3 Å²	37.3	8%	0.079	18%	0.18	C	C	.	.			trans	-126.7	112.9	173	-178.4	70.5	0	0	0	107.9	I131 F222 S224 V237 A239 V307	I131-L226 HydrophobicContact CD1-CD2 3.49Å; I131-L226 VanDerWaalsContact CD1-CD2 3.49Å; F222-L226 HydrophobicContact CE1-CB 4.19Å; F222-L226 HydrophobicContact CE1-CD1 4.4Å; S224-L226 PolarHBondContact O-N 2.97Å; L226-V237 HydrophobicContact CB-CG1 4.33Å; L226-V237 PolarHBondContact N-O 2.68Å; L226-V237 WeakPolarHBondContact O-CB 3.33Å; L226-A239 HydrophobicContact CB-CB 3.52Å; L226-A239 HydrophobicContact CD2-CB 3.48Å; L226-A239 VanDerWaalsContact CD2-CB 3.48Å; L226-A239 HydrophobicContact CG-CB 4.12Å; L226-V307 HydrophobicContact CD1-CG2 3.92Å
227	S	77.5	Confident	82.3	Confident	17 Å²	17	30.1 Å²	30.1	12%	0.119	15%	0.148	C	C	.	.			trans	-56.1	142.2	178	179.1	0	0	0	0	110.4	R111 E231 D303	R111-S227 PolarHBondContact NH2-OG 2.96Å; R111-S227 VanDerWaalsContact NH2-OG 3.07Å; S227-E231 VanDerWaalsContact CA-OE2 3.3Å; S227-E231 WeakPolarHBondContact CA-OE2 3.47Å; S227-D303 WeakPolarHBondContact CB-OD1 3.46Å; S227-D303 WeakPolarHBondContact CB-OD2 3.46Å; S227-D303 PolarHBondContact OG-OD2 3.39Å; S227-D303 VanDerWaalsContact OG-OD2 3.11Å
228	H	78.1	Confident	82.7	Confident	7 Å²	7	27.1 Å²	27.1	3%	0.032	13%	0.127	C	C	.	.			trans	-143.6	144.5	-179.4	-171.8	-97.1	0	0	0	110.6	W121 Y153 M171 Y230 E231 V237	W121-H228 HydrophobicContact CH2-CB 3.95Å; W121-H228 AromaticContact CH2-CE1 3.53Å; W121-H228 AromaticContact CH2-CG 3.52Å; W121-H228 AromaticContact CH2-ND1 3.07Å; W121-H228 WeakPolarHBondContact CH2-ND1 3.27Å; W121-H228 HydrophobicContact CZ2-CB 3.92Å; W121-H228 AromaticContact CZ2-CG 3.78Å; W121-H228 AromaticContact CZ2-ND1 3.18Å; W121-H228 WeakPolarHBondContact CZ2-ND1 3.45Å; Y153-H228 AromaticContact CD1-NE2 3.48Å; Y153-H228 WeakPolarHBondContact CD1-NE2 3.29Å; Y153-H228 AromaticContact CE1-CD2 3.71Å; Y153-H228 AromaticContact CE1-NE2 3.6Å; M171-H228 WeakPolarHBondContact CE-NE2 3.46Å; H228-Y230 AromaticContact CE1-CD2 3.53Å; H228-Y230 AromaticContact ND1-CD2 3.9Å; H228-Y230 PolarHBondContact ND1-N 2.94Å; H228-Y230 VanDerWaalsContact ND1-N 3.18Å; H228-Y230 PolarHBondContact O-N 3.09Å; H228-E231 HydrophobicContact CB-CG 3.85Å; H228-E231 PolarHBondContact N-OE2 2.82Å; H228-E231 VanDerWaalsContact N-OE2 3.08Å; H228-E231 WeakPolarHBondContact O-CB 3.3Å; H228-E231 VanDerWaalsContact O-CG 3.24Å; H228-E231 WeakPolarHBondContact O-CG 3.34Å; H228-E231 PolarHBondContact O-N 2.85Å; H228-V237 HydrophobicContact CB-CG2 4.22Å
229	P	73.4	Confident	82.8	Confident	28 Å²	28	24.5 Å²	24.5	18%	0.182	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-26.4	-179	-29.3	39.1	0	0	0	112.9	R68 Y153 E231	R68-P229 PolarHBondContact NH1-O 2.91Å; R68-P229 PolarHBondContact NH2-O 3.48Å; Y153-P229 HydrophobicContact CD1-CB 4.47Å; Y153-P229 HydrophobicContact CD1-CG 3.65Å; Y153-P229 HydrophobicContact CD2-CB 4.47Å; Y153-P229 HydrophobicContact CD2-CG 3.56Å; Y153-P229 HydrophobicContact CE1-CG 3.63Å; Y153-P229 HydrophobicContact CE2-CG 3.56Å; Y153-P229 HydrophobicContact CG-CB 4.26Å; Y153-P229 HydrophobicContact CG-CG 3.58Å; P229-E231 VanDerWaalsContact C-N 3.33Å; P229-E231 PolarHBondContact O-N 3.34Å
230	Y	79.8	Confident	83.2	Confident	1 Å²	1	18.7 Å²	18.7	0%	0.004	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	8.9	179	-67.8	-79.3	0	0	0	114.6	F61 G62 S63 P120 W121 Y153 V155 L165 H228	F61-Y230 HydrophobicContact CD1-CD1 4.33Å; F61-Y230 HydrophobicContact CD2-CD1 4.45Å; F61-Y230 AromaticContact CE1-CD1 3.95Å; F61-Y230 HydrophobicContact CE1-CD1 3.95Å; F61-Y230 VanDerWaalsContact CE2-C 3.42Å; F61-Y230 VanDerWaalsContact CE2-CA 3.44Å; F61-Y230 HydrophobicContact CE2-CD1 4.12Å; F61-Y230 VanDerWaalsContact CE2-O 3.31Å; F61-Y230 WeakPolarHBondContact CE2-O 3.12Å; F61-Y230 AromaticContact CZ-CD1 3.85Å; F61-Y230 HydrophobicContact CZ-CD1 3.85Å; F61-Y230 HydrophobicContact CZ-CG 4.45Å; F61-Y230 WeakPolarHBondContact CZ-O 3.45Å; G62-Y230 WeakPolarHBondContact CA-OH 3.11Å; S63-Y230 PolarHBondContact N-OH 3.33Å; P120-Y230 HydrophobicContact CG-CD1 3.64Å; P120-Y230 HydrophobicContact CG-CE1 4.45Å; P120-Y230 HydrophobicContact CG-CG 3.64Å; W121-Y230 VanDerWaalsContact NE1-C 3.32Å; W121-Y230 PolarHBondContact NE1-O 3.23Å; Y153-Y230 WeakPolarHBondContact O-CE2 3.31Å; Y153-Y230 PolarHBondContact O-OH 2.86Å; V155-Y230 HydrophobicContact CG2-CD1 4.37Å; V155-Y230 HydrophobicContact CG2-CD2 4.45Å; V155-Y230 HydrophobicContact CG2-CE1 3.78Å; V155-Y230 HydrophobicContact CG2-CE2 3.88Å; L165-Y230 HydrophobicContact CD2-CD2 3.62Å; L165-Y230 HydrophobicContact CD2-CE2 3.96Å; L165-Y230 HydrophobicContact CD2-CG 4.11Å; H228-Y230 AromaticContact CE1-CD2 3.53Å; H228-Y230 AromaticContact ND1-CD2 3.9Å; H228-Y230 PolarHBondContact ND1-N 2.94Å; H228-Y230 VanDerWaalsContact ND1-N 3.18Å; H228-Y230 PolarHBondContact O-N 3.09Å
231	E	85.8	Confident	83.5	Confident	1 Å²	1	14.1 Å²	14.1	1%	0.005	8%	0.075	C	C	.	.			trans	-67.3	149.6	176.7	-64.5	-178	141.2	0	0	112.9	T113 W121 Y225 S227 H228 P229 A235 W236 V237	T113-E231 HydrophobicContact CG2-CB 4.39Å; W121-E231 HydrophobicContact CZ2-CG 4.14Å; Y225-E231 PolarHBondContact OH-OE2 3.32Å; S227-E231 VanDerWaalsContact CA-OE2 3.3Å; S227-E231 WeakPolarHBondContact CA-OE2 3.47Å; H228-E231 HydrophobicContact CB-CG 3.85Å; H228-E231 PolarHBondContact N-OE2 2.82Å; H228-E231 VanDerWaalsContact N-OE2 3.08Å; H228-E231 WeakPolarHBondContact O-CB 3.3Å; H228-E231 VanDerWaalsContact O-CG 3.24Å; H228-E231 WeakPolarHBondContact O-CG 3.34Å; H228-E231 PolarHBondContact O-N 2.85Å; P229-E231 VanDerWaalsContact C-N 3.33Å; P229-E231 PolarHBondContact O-N 3.34Å; E231-A235 WeakPolarHBondContact CA-O 3.31Å; E231-W236 HydrophobicContact CG-CB 4.37Å; E231-V237 PolarHBondContact OE1-N 3.35Å; E231-V237 VanDerWaalsContact OE1-N 3.08Å
232	T	88.3	Confident	83.9	Confident	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.072	C	C	.	.			trans	-127.2	176.8	174.5	71	0	0	0	0	109.1	F61 T90 N108 T113 L115 G117 N234 A235	F61-T232 HydrophobicContact CE2-CG2 4.31Å; F61-T232 HydrophobicContact CZ-CG2 4.03Å; T90-T232 HydrophobicContact CG2-CG2 4.01Å; N108-T232 WeakPolarHBondContact CB-O 3.39Å; N108-T232 PolarHBondContact ND2-O 3.49Å; T113-T232 VanDerWaalsContact OG1-CA 3.3Å; T113-T232 WeakPolarHBondContact OG1-CA 3.42Å; L115-T232 HydrophobicContact CD2-CG2 4.28Å; L115-T232 WeakPolarHBondContact O-CB 3.48Å; G117-T232 WeakPolarHBondContact O-CB 3.33Å; G117-T232 PolarHBondContact O-OG1 3.29Å; T232-N234 PolarHBondContact O-N 3.3Å; T232-N234 PolarHBondContact OG1-N 3.3Å; T232-A235 PolarHBondContact N-O 3.34Å; T232-A235 PolarHBondContact OG1-N 3.02Å
233	D	89.8	Confident	84.4	Confident	1 Å²	1	13.8 Å²	13.8	1%	0.005	7%	0.073	C	C	.	.	S	Bend	trans	-62.3	-19.7	170.6	-71.4	1.2	0	0	0	112.2	W78 Y85 V107 N108 R112 T113 L115 V116	W78-D233 HydrophobicContact CH2-CB 4.02Å; W78-D233 HydrophobicContact CZ2-CB 3.95Å; Y85-D233 VanDerWaalsContact CE1-OD2 3.23Å; Y85-D233 WeakPolarHBondContact CE1-OD2 3.42Å; Y85-D233 VanDerWaalsContact CZ-OD2 3.3Å; Y85-D233 PolarHBondContact OH-OD1 2.89Å; Y85-D233 PolarHBondContact OH-OD2 3.36Å; V107-D233 CarbonylContact C-O 3.52Å; V107-D233 WeakPolarHBondContact CA-O 3.33Å; N108-D233 WeakPolarHBondContact CB-O 3.21Å; N108-D233 PolarHBondContact N-O 3.03Å; R112-D233 WeakPolarHBondContact CA-OD1 3.46Å; T113-D233 PolarHBondContact N-OD1 3.39Å; T113-D233 PolarHBondContact OG1-N 2.96Å; T113-D233 PolarHBondContact OG1-OD1 3.02Å; L115-D233 VanDerWaalsContact O-CB 3.31Å; L115-D233 WeakPolarHBondContact O-CB 3.44Å; L115-D233 VanDerWaalsContact O-CG 3.23Å; L115-D233 PolarHBondContact O-N 2.97Å; V116-D233 HydrophobicContact CG1-CB 3.95Å
234	N	89.5	Confident	84.6	Confident	7 Å²	7	11 Å²	11	4%	0.037	6%	0.058	C	C	.	.	S	Bend	trans	-119.4	-4.5	-172.8	-47.1	117.2	0	0	0	114.4	G103 H106 V116 G117 L124 G125 T232	G103-N234 PolarHBondContact O-ND2 3.45Å; H106-N234 VanDerWaalsContact O-CA 3.31Å; H106-N234 WeakPolarHBondContact O-CA 3.5Å; H106-N234 PolarHBondContact O-ND2 2.94Å; V116-N234 WeakPolarHBondContact CA-OD1 3.26Å; V116-N234 WeakPolarHBondContact CB-OD1 3.07Å; V116-N234 WeakPolarHBondContact CG1-OD1 3.3Å; G117-N234 PolarHBondContact N-OD1 2.84Å; L124-N234 CarbonylContact C-O 3.58Å; L124-N234 HydrophobicContact CD2-CB 3.83Å; G125-N234 PolarHBondContact N-O 2.9Å; T232-N234 PolarHBondContact O-N 3.3Å; T232-N234 PolarHBondContact OG1-N 3.3Å
235	A	89.3	Confident	84.8	Confident	0 Å²	0	14 Å²	14	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	125.1	178.8	0	0	0	0	0	110.4	W121 G125 E231 T232	W121-A235 HydrophobicContact CB-CB 4.12Å; W121-A235 VanDerWaalsContact CD1-CB 3.43Å; W121-A235 HydrophobicContact CG-CB 4.02Å; G125-A235 WeakPolarHBondContact O-CA 3.22Å; E231-A235 WeakPolarHBondContact CA-O 3.31Å; T232-A235 PolarHBondContact N-O 3.34Å; T232-A235 PolarHBondContact OG1-N 3.02Å
236	W	89.3	Confident	85.1	Confident	29 Å²	29	13.5 Å²	13.5	11%	0.11	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	170.2	-174.7	65.5	92.4	0	0	0	112.1	H106 V107 N108 P109 G125 E126 N127 Y225 E231	H106-W236 HydrophobicContact CB-CZ3 4.45Å; V107-W236 VanDerWaalsContact C-CZ3 3.41Å; V107-W236 VanDerWaalsContact O-CH2 3.26Å; V107-W236 WeakPolarHBondContact O-CH2 3.08Å; V107-W236 WeakPolarHBondContact O-CZ3 3.35Å; N108-W236 VanDerWaalsContact CA-CE3 3.46Å; N108-W236 HydrophobicContact CB-CE3 3.98Å; P109-W236 HydrophobicContact CG-CZ2 4.31Å; G125-W236 PolarHBondContact O-N 3.22Å; G125-W236 VanDerWaalsContact O-N 3.11Å; E126-W236 HydrophobicContact CB-CZ2 4.13Å; N127-W236 WeakPolarHBondContact CB-O 3.32Å; N127-W236 PolarHBondContact N-O 3.41Å; Y225-W236 HydrophobicContact CD2-CB 4.38Å; Y225-W236 AromaticContact CD2-CD1 3.6Å; Y225-W236 HydrophobicContact CD2-CG 4.2Å; Y225-W236 HydrophobicContact CE2-CB 3.69Å; Y225-W236 AromaticContact CE2-CD1 3.75Å; Y225-W236 AromaticContact CE2-CG 3.88Å; Y225-W236 HydrophobicContact CE2-CG 3.88Å; E231-W236 HydrophobicContact CG-CB 4.37Å
237	V	86.8	Confident	85.2	Confident	0 Å²	0	16 Å²	16	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	135.5	-177.3	175.9	0	0	0	0	112.3	W121 N127 M129 Y225 L226 H228 E231 A239	W121-V237 HydrophobicContact CE3-CG2 4.15Å; W121-V237 HydrophobicContact CH2-CG2 3.05Å; W121-V237 HydrophobicContact CZ2-CG2 3.55Å; W121-V237 HydrophobicContact CZ3-CG2 3.4Å; N127-V237 WeakPolarHBondContact O-CA 3.46Å; M129-V237 HydrophobicContact CB-CG1 4Å; M129-V237 HydrophobicContact CG-CG1 3.62Å; M129-V237 HydrophobicContact CG-CG2 4.46Å; Y225-V237 WeakPolarHBondContact CA-O 3.4Å; L226-V237 HydrophobicContact CB-CG1 4.33Å; L226-V237 PolarHBondContact N-O 2.68Å; L226-V237 WeakPolarHBondContact O-CB 3.33Å; H228-V237 HydrophobicContact CB-CG2 4.22Å; E231-V237 PolarHBondContact OE1-N 3.35Å; E231-V237 VanDerWaalsContact OE1-N 3.08Å; V237-A239 HydrophobicContact CG1-CB 4.16Å
238	K	86.9	Confident	85.5	Confident	30 Å²	30	21.7 Å²	21.7	13%	0.13	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	104.3	160.9	-171.8	171.9	-165.3	166.4	0	108.6	E126 N127 R128 M129 S224 E462	E126-K238 HydrophobicContact CG-CB 3.73Å; E126-K238 HydrophobicContact CG-CD 4.02Å; E126-K238 WeakPolarHBondContact OE1-CD 3.2Å; E126-K238 IonicContact OE1-NZ 2.96Å; E126-K238 WeakPolarHBondContact OE2-CD 3.42Å; E126-K238 IonicContact OE2-NZ 3.14Å; E126-K238 PolarHBondContact OE2-NZ 3.47Å; N127-K238 PolarHBondContact O-N 3.46Å; R128-K238 WeakPolarHBondContact CA-O 3.39Å; M129-K238 PolarHBondContact N-O 3.5Å; S224-K238 CarbonylContact O-C 3.53Å; S224-K238 WeakPolarHBondContact O-CA 3.4Å; K238-E462 IonicContact NZ-OE2 3.87Å; K238-E462 PolarHBondContact NZ-OE2 2.72Å
239	A	85.4	Confident	85.8	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	137.4	-177	0	0	0	0	0	111.1	M129 I131 F222 N223 S224 L226 V237	M129-A239 CarbonylContact O-C 3.59Å; M129-A239 WeakPolarHBondContact O-CA 3.43Å; I131-A239 HydrophobicContact CD1-CB 3.78Å; I131-A239 HydrophobicContact CG1-CB 4.33Å; F222-A239 HydrophobicContact CD1-CB 4.5Å; F222-A239 WeakPolarHBondContact CD1-O 3.24Å; N223-A239 VanDerWaalsContact CA-O 3.27Å; N223-A239 WeakPolarHBondContact CA-O 3.45Å; S224-A239 PolarHBondContact N-O 3.42Å; S224-A239 PolarHBondContact O-N 2.98Å; L226-A239 HydrophobicContact CB-CB 3.52Å; L226-A239 HydrophobicContact CD2-CB 3.48Å; L226-A239 VanDerWaalsContact CD2-CB 3.48Å; L226-A239 HydrophobicContact CG-CB 4.12Å; V237-A239 HydrophobicContact CG1-CB 4.16Å
240	K	86.4	Confident	86.4	Confident	27 Å²	27	25.9 Å²	25.9	12%	0.117	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	106.3	162.1	-178.9	-173.1	-93	-170.7	0	108.2	M129 I131 K220 F222 N223 Y242	M129-K240 PolarHBondContact O-N 3.07Å; I131-K240 PolarHBondContact N-O 2.82Å; K220-K240 HydrophobicContact CG-CG 4.42Å; F222-K240 CarbonylContact O-C 3.54Å; F222-K240 VanDerWaalsContact O-CA 3.3Å; F222-K240 WeakPolarHBondContact O-CA 3.32Å; N223-K240 WeakPolarHBondContact OD1-CE 3.17Å; K240-Y242 HydrophobicContact CD-CD1 4.28Å; K240-Y242 HydrophobicContact CG-CD1 4.16Å
241	V	86.2	Confident	86.7	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	132.4	173.4	-166.9	0	0	0	0	108.7	I131 I133 I221 F222 F287	I131-V241 HydrophobicContact CB-CB 4.45Å; I131-V241 HydrophobicContact CB-CG1 4.34Å; I131-V241 HydrophobicContact CB-CG2 4.11Å; I131-V241 HydrophobicContact CD1-CG2 4.23Å; I131-V241 HydrophobicContact CG2-CG1 4.32Å; I131-V241 WeakPolarHBondContact O-CA 3.44Å; I133-V241 HydrophobicContact CD1-CG1 3.72Å; I133-V241 HydrophobicContact CG1-CG1 4.15Å; I221-V241 HydrophobicContact CD1-CB 4.35Å; I221-V241 HydrophobicContact CD1-CG1 3.79Å; I221-V241 HydrophobicContact CG1-CB 3.96Å; I221-V241 HydrophobicContact CG1-CG1 3.89Å; I221-V241 WeakPolarHBondContact CG1-O 3.47Å; I221-V241 PolarHBondContact N-O 3.22Å; F222-V241 HydrophobicContact CB-CB 3.76Å; F222-V241 HydrophobicContact CB-CG2 3.77Å; F222-V241 HydrophobicContact CD1-CG2 3.97Å; F222-V241 HydrophobicContact CG-CG2 4.23Å; F222-V241 PolarHBondContact N-O 2.91Å; F222-V241 PolarHBondContact O-N 3.28Å; V241-F287 HydrophobicContact CG1-CE2 4.21Å; V241-F287 HydrophobicContact CG1-CZ 4.32Å; V241-F287 HydrophobicContact CG2-CZ 4.14Å
242	Y	86.8	Confident	86.7	Confident	1 Å²	1	26.1 Å²	26.1	0%	0.004	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	151.8	177.8	54.9	-95.3	0	0	0	112.1	D130 I131 P132 I133 M215 K218 R219 K240 I244	D130-Y242 HydrophobicContact CB-CE1 3.79Å; I131-Y242 PolarHBondContact O-N 3.11Å; P132-Y242 HydrophobicContact CB-CD2 4.27Å; P132-Y242 HydrophobicContact CB-CE2 3.49Å; P132-Y242 VanDerWaalsContact CB-CE2 3.49Å; I133-Y242 PolarHBondContact N-O 3.42Å; M215-Y242 HydrophobicContact CE-CE2 4.5Å; K218-Y242 HydrophobicContact CB-CD2 3.57Å; K218-Y242 HydrophobicContact CB-CE2 4.22Å; K218-Y242 HydrophobicContact CB-CG 4.08Å; K218-Y242 HydrophobicContact CD-CD1 4.01Å; K218-Y242 HydrophobicContact CD-CD2 3.46Å; K218-Y242 VanDerWaalsContact CD-CD2 3.46Å; K218-Y242 HydrophobicContact CD-CE1 4.09Å; K218-Y242 HydrophobicContact CD-CE2 3.52Å; K218-Y242 HydrophobicContact CD-CG 3.69Å; K218-Y242 HydrophobicContact CG-CD2 3.97Å; K218-Y242 HydrophobicContact CG-CE2 4.45Å; K218-Y242 HydrophobicContact CG-CG 4.12Å; R219-Y242 CarbonylContact O-C 3.49Å; R219-Y242 WeakPolarHBondContact O-CA 3.36Å; R219-Y242 WeakPolarHBondContact O-CB 3.37Å; K240-Y242 HydrophobicContact CD-CD1 4.28Å; K240-Y242 HydrophobicContact CG-CD1 4.16Å; Y242-I244 HydrophobicContact CD2-CD1 4.1Å; Y242-I244 HydrophobicContact CD2-CG1 4.11Å; Y242-I244 HydrophobicContact CE2-CD1 3.79Å; Y242-I244 HydrophobicContact CE2-CG1 4.32Å
243	I	87	Confident	86.7	Confident	13 Å²	13	26.7 Å²	26.7	7%	0.067	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	137.7	177.8	-71.7	170.2	0	0	0	110.3	I133 I135 K218 R219 I221 I245 L279 V282	I133-I243 HydrophobicContact CB-CG1 3.88Å; I133-I243 HydrophobicContact CD1-CG1 4.32Å; I133-I243 HydrophobicContact CG2-CG1 4.15Å; I133-I243 CarbonylContact O-C 3.51Å; I133-I243 VanDerWaalsContact O-CA 3.3Å; I133-I243 WeakPolarHBondContact O-CA 3.48Å; I135-I243 HydrophobicContact CD1-CG2 3.64Å; I135-I243 HydrophobicContact CG1-CG2 4.21Å; K218-I243 CarbonylContact C-O 3.41Å; K218-I243 WeakPolarHBondContact CA-O 3.11Å; R219-I243 PolarHBondContact N-O 3.15Å; R219-I243 PolarHBondContact O-N 3.18Å; I221-I243 HydrophobicContact CD1-CD1 3.99Å; I221-I243 HydrophobicContact CD1-CG1 4.15Å; I221-I243 HydrophobicContact CG2-CD1 4.19Å; I243-I245 HydrophobicContact CG2-CG1 4.23Å; I243-L279 HydrophobicContact CD1-CD1 3.01Å; I243-L279 HydrophobicContact CD1-CG 4.47Å; I243-L279 HydrophobicContact CG1-CD1 4.48Å; I243-V282 HydrophobicContact CD1-CG1 4.34Å
244	I	87.2	Confident	86.1	Confident	2 Å²	2	30.4 Å²	30.4	1%	0.01	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	121.8	169.2	-61.1	165	0	0	0	107.9	I133 L134 I135 M215 K218 Y242 L252	I133-I244 PolarHBondContact O-N 3.5Å; L134-I244 WeakPolarHBondContact CA-O 3.42Å; L134-I244 HydrophobicContact CG-CB 4.41Å; I135-I244 PolarHBondContact N-O 2.9Å; M215-I244 HydrophobicContact CE-CD1 4.25Å; M215-I244 HydrophobicContact SD-CD1 3.4Å; M215-I244 WeakPolarHBondContact SD-CD1 3.35Å; K218-I244 HydrophobicContact CB-CD1 4.18Å; K218-I244 HydrophobicContact CB-CG1 3.59Å; Y242-I244 HydrophobicContact CD2-CD1 4.1Å; Y242-I244 HydrophobicContact CD2-CG1 4.11Å; Y242-I244 HydrophobicContact CE2-CD1 3.79Å; Y242-I244 HydrophobicContact CE2-CG1 4.32Å; I244-L252 HydrophobicContact CD1-CD1 4.21Å; I244-L252 HydrophobicContact CG2-CD1 3.72Å
245	I	85.2	Confident	85.9	Confident	103 Å²	103	30.7 Å²	30.7	53%	0.528	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	112	170.4	-57.8	175.1	0	0	0	106.3	I135 I243 P247	I135-I245 CarbonylContact O-C 3.39Å; I135-I245 WeakPolarHBondContact O-CA 3.48Å; I243-I245 HydrophobicContact CG2-CG1 4.23Å; I245-P247 WeakPolarHBondContact O-CD 3.49Å
246	A	87.4	Confident	85.7	Confident	1 Å²	1	32.7 Å²	32.7	1%	0.008	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	101.6	179.4	0	0	0	0	0	109.6	I135 R136 L252 Y253	I135-A246 PolarHBondContact O-N 2.95Å; R136-A246 HydrophobicContact CB-CB 4.29Å; R136-A246 WeakPolarHBondContact CB-O 3.32Å; A246-L252 HydrophobicContact CB-CB 4.11Å; A246-Y253 WeakPolarHBondContact O-CD2 3.38Å
247	P	84.2	Confident	85.6	Confident	69 Å²	69	32.7 Å²	32.7	45%	0.448	17%	0.17	S	C	.	.			trans	-67.9	165.7	169.6	29.4	-37.7	0	0	0	111.6	I245 N249 S250 Y253	I245-P247 WeakPolarHBondContact O-CD 3.49Å; P247-N249 WeakPolarHBondContact CB-OD1 3.31Å; P247-N249 VanDerWaalsContact CG-OD1 3.24Å; P247-N249 WeakPolarHBondContact CG-OD1 3.45Å; P247-N249 PolarHBondContact O-N 2.93Å; P247-S250 WeakPolarHBondContact O-CB 3.42Å; P247-S250 PolarHBondContact O-N 2.8Å; P247-Y253 WeakPolarHBondContact O-CB 3.46Å; P247-Y253 WeakPolarHBondContact O-CD2 3.35Å
248	E	83.3	Confident	85.5	Confident	136 Å²	136	42.2 Å²	42.2	64%	0.636	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-28.2	-176.8	-68.5	-174.2	172	0	0	114.9	Y253	E248-Y253 HydrophobicContact CB-CE1 4.45Å; E248-Y253 HydrophobicContact CB-CE2 4.37Å; E248-Y253 HydrophobicContact CG-CE1 4.2Å; E248-Y253 HydrophobicContact CG-CE2 3.83Å
249	N	83.7	Confident	85.4	Confident	114 Å²	114	41.1 Å²	41.1	61%	0.61	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-1.6	178.3	66.6	-16.6	0	0	0	114.5	K210 P247	K210-N249 PolarHBondContact NZ-O 2.82Å; K210-N249 VanDerWaalsContact NZ-O 3.11Å; P247-N249 WeakPolarHBondContact CB-OD1 3.31Å; P247-N249 VanDerWaalsContact CG-OD1 3.24Å; P247-N249 WeakPolarHBondContact CG-OD1 3.45Å; P247-N249 PolarHBondContact O-N 2.93Å
250	S	86.7	Confident	85.1	Confident	9 Å²	9	46.8 Å²	46.8	6%	0.063	25%	0.245	C	C	.	.	S	Bend	trans	-71	143.3	177.3	167.9	0	0	0	0	110.8	E214 P247 L252 Y253	E214-S250 WeakPolarHBondContact OE1-CA 3.49Å; E214-S250 WeakPolarHBondContact OE2-CA 3.48Å; E214-S250 WeakPolarHBondContact OE2-CB 3.33Å; E214-S250 PolarHBondContact OE2-OG 2.9Å; P247-S250 WeakPolarHBondContact O-CB 3.42Å; P247-S250 PolarHBondContact O-N 2.8Å; S250-L252 PolarHBondContact O-N 2.93Å; S250-L252 PolarHBondContact OG-N 2.98Å; S250-L252 VanDerWaalsContact OG-N 3.12Å; S250-Y253 VanDerWaalsContact O-CB 3.24Å; S250-Y253 WeakPolarHBondContact O-CB 3.2Å; S250-Y253 PolarHBondContact O-N 2.82Å; S250-Y253 VanDerWaalsContact O-N 3.14Å
251	C	84.8	Confident	85	Confident	6 Å²	6	48.9 Å²	48.9	4%	0.041	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-55.6	-44	169.5	-64	0	0	0	0	111.4	L198 C206 K210 E214 Y253 N254	L198-C251 HydrophobicContact CD1-CB 3.95Å; L198-C251 HydrophobicContact CD2-CB 4.24Å; L198-C251 WeakPolarHBondContact CD2-O 3.26Å; C206-C251 HydrophobicContact CB-CB 3.71Å; C206-C251 WeakPolarHBondContact CB-SG 3.44Å; C206-C251 WeakPolarHBondContact SG-CB 3.43Å; C206-C251 CovalentContact SG-SG 2.02Å; C206-C251 PolarHBondContact SG-SG 3.41Å; K210-C251 VanDerWaalsContact CD-SG 3.51Å; E214-C251 VanDerWaalsContact CD-N 3.31Å; E214-C251 PolarHBondContact OE1-N 3.47Å; E214-C251 PolarHBondContact OE1-SG 2.83Å; E214-C251 PolarHBondContact OE2-N 2.96Å; C251-Y253 PolarHBondContact O-N 2.7Å; C251-Y253 VanDerWaalsContact O-N 3.12Å; C251-N254 PolarHBondContact O-N 3.31Å
252	L	87.3	Confident	85	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-65.9	-15.8	-178.6	-60.5	172.7	0	0	0	113.1	L134 F194 L211 M215 I244 A246 S250 M255	L134-L252 HydrophobicContact CD2-CB 3.96Å; L134-L252 HydrophobicContact CD2-CD1 3.97Å; L134-L252 HydrophobicContact CD2-CD2 4.14Å; L134-L252 HydrophobicContact CD2-CG 4.25Å; F194-L252 HydrophobicContact CB-CD2 4Å; F194-L252 HydrophobicContact CD2-CD2 4.41Å; F194-L252 HydrophobicContact CG-CD2 4.18Å; L211-L252 HydrophobicContact CD1-CD2 3.68Å; L211-L252 HydrophobicContact CD1-CG 4.13Å; M215-L252 HydrophobicContact SD-CD1 4.21Å; I244-L252 HydrophobicContact CD1-CD1 4.21Å; I244-L252 HydrophobicContact CG2-CD1 3.72Å; A246-L252 HydrophobicContact CB-CB 4.11Å; S250-L252 PolarHBondContact O-N 2.93Å; S250-L252 PolarHBondContact OG-N 2.98Å; S250-L252 VanDerWaalsContact OG-N 3.12Å; L252-M255 HydrophobicContact CB-CE 4.26Å; L252-M255 HydrophobicContact CD2-CE 4.03Å; L252-M255 HydrophobicContact CD2-SD 3.7Å; L252-M255 WeakPolarHBondContact O-CE 3.48Å
253	Y	86.7	Confident	84.6	Confident	13 Å²	13	53.1 Å²	53.1	5%	0.051	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-66.4	-40.7	-179.6	-167.4	-93.4	0	0	0	112.5	R136 S137 Y138 A246 P247 E248 S250 C251	R136-Y253 HydrophobicContact CB-CD2 3.86Å; R136-Y253 HydrophobicContact CB-CE2 3.89Å; R136-Y253 HydrophobicContact CG-CD2 4.44Å; R136-Y253 HydrophobicContact CG-CE2 4.26Å; R136-Y253 PolarHBondContact NH1-O 2.93Å; S137-Y253 VanDerWaalsContact O-CE2 3.28Å; S137-Y253 WeakPolarHBondContact O-CE2 3.33Å; S137-Y253 PolarHBondContact O-OH 3.23Å; Y138-Y253 WeakPolarHBondContact CA-OH 3.18Å; Y138-Y253 HydrophobicContact CD2-CE1 4.17Å; Y138-Y253 AromaticContact CD2-CZ 3.99Å; Y138-Y253 WeakPolarHBondContact CD2-OH 3.32Å; A246-Y253 WeakPolarHBondContact O-CD2 3.38Å; P247-Y253 WeakPolarHBondContact O-CB 3.46Å; P247-Y253 WeakPolarHBondContact O-CD2 3.35Å; E248-Y253 HydrophobicContact CB-CE1 4.45Å; E248-Y253 HydrophobicContact CB-CE2 4.37Å; E248-Y253 HydrophobicContact CG-CE1 4.2Å; E248-Y253 HydrophobicContact CG-CE2 3.83Å; S250-Y253 VanDerWaalsContact O-CB 3.24Å; S250-Y253 WeakPolarHBondContact O-CB 3.2Å; S250-Y253 PolarHBondContact O-N 2.82Å; S250-Y253 VanDerWaalsContact O-N 3.14Å; C251-Y253 PolarHBondContact O-N 2.7Å; C251-Y253 VanDerWaalsContact O-N 3.12Å
254	N	78.9	Confident	84.2	Confident	78 Å²	78	53.2 Å²	53.2	42%	0.417	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-115.7	35.1	-172.1	-72.3	-38.8	0	0	0	113.3	S201 C251	S201-N254 PolarHBondContact OG-O 3.07Å; C251-N254 PolarHBondContact O-N 3.31Å
255	M	85.2	Confident	84	Confident	13 Å²	13	56 Å²	56	6%	0.064	29%	0.291	C	S	.	.			trans	-60	138.8	175.8	-71.3	-172.8	-69.4	0	0	112.1	L134 M145 F194 L197 L198 L252 L257 W268	L134-M255 HydrophobicContact CD2-CE 3.64Å; M145-M255 HydrophobicContact CE-CE 3.99Å; M145-M255 HydrophobicContact SD-CE 3.53Å; M145-M255 VanDerWaalsContact SD-CE 3.53Å; F194-M255 HydrophobicContact CB-SD 4.11Å; F194-M255 HydrophobicContact CD1-CE 4.24Å; F194-M255 HydrophobicContact CD1-SD 3.84Å; F194-M255 HydrophobicContact CG-SD 4.24Å; L197-M255 HydrophobicContact CB-CB 4.48Å; L197-M255 HydrophobicContact CB-SD 4.48Å; L197-M255 HydrophobicContact CD1-SD 4.41Å; L198-M255 HydrophobicContact CD2-CG 3.67Å; L198-M255 HydrophobicContact CG-CG 4.08Å; L252-M255 HydrophobicContact CB-CE 4.26Å; L252-M255 HydrophobicContact CD2-CE 4.03Å; L252-M255 HydrophobicContact CD2-SD 3.7Å; L252-M255 WeakPolarHBondContact O-CE 3.48Å; M255-L257 HydrophobicContact CB-CD2 4.09Å; M255-L257 PolarHBondContact O-N 2.83Å; M255-W268 HydrophobicContact CE-CZ2 4.39Å
256	N	84.8	Confident	84.1	Confident	42 Å²	42	51.7 Å²	51.7	23%	0.225	27%	0.268	C	S	.	.			trans	-80	84.7	176	-176.1	7.7	0	0	0	110.8	L197 S200 S201 K258 A259	L197-N256 PolarHBondContact O-N 2.91Å; S200-N256 PolarHBondContact O-ND2 3.4Å; S201-N256 WeakPolarHBondContact OG-CB 3.22Å; S201-N256 PolarHBondContact OG-N 2.86Å; N256-K258 PolarHBondContact O-N 3.11Å; N256-K258 VanDerWaalsContact O-N 3.14Å; N256-K258 PolarHBondContact OD1-N 2.99Å; N256-K258 VanDerWaalsContact OD1-N 3.13Å; N256-A259 HydrophobicContact CB-CB 4.29Å; N256-A259 VanDerWaalsContact O-CB 3.24Å; N256-A259 WeakPolarHBondContact O-CB 3.35Å; N256-A259 PolarHBondContact O-N 3.36Å; N256-A259 VanDerWaalsContact O-N 3.15Å; N256-A259 PolarHBondContact OD1-N 3.38Å
257	L	86.6	Confident	84.1	Confident	30 Å²	30	54.8 Å²	54.8	16%	0.157	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-0.5	177.2	-56.7	-172.7	0	0	0	113.9	M145 L197 M255 N262 W268	M145-L257 HydrophobicContact CG-CD1 4.4Å; M145-L257 HydrophobicContact SD-CD1 4.3Å; M145-L257 HydrophobicContact SD-CD2 4.22Å; L197-L257 HydrophobicContact CD1-CD2 3.97Å; M255-L257 HydrophobicContact CB-CD2 4.09Å; M255-L257 PolarHBondContact O-N 2.83Å; L257-N262 PolarHBondContact O-ND2 2.95Å; L257-W268 HydrophobicContact CD1-CG 4.14Å
258	K	85	Confident	84.3	Confident	199 Å²	199	53.3 Å²	53.3	87%	0.865	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	-3.6	172.3	-62.3	-177.2	178.4	-178.4	0	112.6	N256	N256-K258 PolarHBondContact O-N 3.11Å; N256-K258 VanDerWaalsContact O-N 3.14Å; N256-K258 PolarHBondContact OD1-N 2.99Å; N256-K258 VanDerWaalsContact OD1-N 3.13Å
259	A	84	Confident	84.4	Confident	8 Å²	8	50.2 Å²	50.2	7%	0.066	25%	0.252	C	S	.	.	S	Bend	trans	-68.9	146.8	-179.2	0	0	0	0	0	110.7	S200 N256 E261 N262	S200-A259 VanDerWaalsContact CB-CB 3.48Å; N256-A259 HydrophobicContact CB-CB 4.29Å; N256-A259 VanDerWaalsContact O-CB 3.24Å; N256-A259 WeakPolarHBondContact O-CB 3.35Å; N256-A259 PolarHBondContact O-N 3.36Å; N256-A259 VanDerWaalsContact O-N 3.15Å; N256-A259 PolarHBondContact OD1-N 3.38Å; A259-E261 WeakPolarHBondContact CB-OE2 3.36Å; A259-E261 PolarHBondContact O-N 3.32Å; A259-E261 VanDerWaalsContact O-N 3.15Å; A259-N262 WeakPolarHBondContact O-CB 3.35Å; A259-N262 PolarHBondContact O-N 2.77Å
260	P	79.9	Confident	84.5	Confident	119 Å²	119	47.9 Å²	47.9	77%	0.773	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-21.4	178.5	25.8	-33.6	0	0	0	112.8	N262	P260-N262 PolarHBondContact O-N 2.82Å
261	E	83.4	Confident	84.1	Confident	71 Å²	71	48.5 Å²	48.5	33%	0.332	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-17	174.1	-60.8	74	-156.6	0	0	112.9	L197 S200 A259 H263	L197-E261 HydrophobicContact CD2-CB 4.16Å; S200-E261 PolarHBondContact OG-OE2 3.5Å; A259-E261 WeakPolarHBondContact CB-OE2 3.36Å; A259-E261 PolarHBondContact O-N 3.32Å; A259-E261 VanDerWaalsContact O-N 3.15Å; E261-H263 PolarHBondContact O-CD2 3.19Å; E261-H263 PolarHBondContact O-N 2.68Å
262	N	86.1	Confident	83.6	Confident	11 Å²	11	53.7 Å²	53.7	6%	0.059	27%	0.273	C	S	.	.			trans	-76	53	175.8	-169.1	25.1	0	0	0	112.3	Y193 L197 L257 A259 P260 L264 D265 Y266	Y193-N262 WeakPolarHBondContact OH-CA 3.3Å; Y193-N262 PolarHBondContact OH-OD1 3.46Å; L197-N262 HydrophobicContact CD2-CB 3.6Å; L257-N262 PolarHBondContact O-ND2 2.95Å; A259-N262 WeakPolarHBondContact O-CB 3.35Å; A259-N262 PolarHBondContact O-N 2.77Å; P260-N262 PolarHBondContact O-N 2.82Å; N262-L264 PolarHBondContact O-N 3.02Å; N262-L264 VanDerWaalsContact O-N 3.11Å; N262-D265 PolarHBondContact O-N 3Å; N262-Y266 PolarHBondContact ND2-N 2.96Å; N262-Y266 PolarHBondContact ND2-O 3.11Å; N262-Y266 WeakPolarHBondContact OD1-CB 3.42Å; N262-Y266 PolarHBondContact OD1-N 3.2Å
263	H	78.8	Confident	82.7	Confident	78 Å²	78	57.9 Å²	57.9	36%	0.361	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-12.2	-177.8	68.2	72.6	0	0	0	113.6	Y164 Y193 E261 D265	Y164-H263 AromaticContact CD1-CE1 3.64Å; Y164-H263 AromaticContact CE1-CE1 3.11Å; Y164-H263 WeakPolarHBondContact CE1-CE1 3.31Å; Y164-H263 AromaticContact CE1-ND1 3.95Å; Y164-H263 AromaticContact CE1-NE2 3.71Å; Y164-H263 AromaticContact CZ-CE1 3.39Å; Y164-H263 AromaticContact CZ-ND1 3.98Å; Y164-H263 AromaticContact CZ-NE2 3.74Å; Y193-H263 AromaticContact CD2-NE2 3.61Å; Y193-H263 AromaticContact CE2-CD2 3.72Å; Y193-H263 AromaticContact CE2-CE1 3.81Å; Y193-H263 AromaticContact CE2-NE2 3.36Å; Y193-H263 WeakPolarHBondContact CE2-NE2 3.42Å; E261-H263 PolarHBondContact O-CD2 3.19Å; E261-H263 PolarHBondContact O-N 2.68Å; H263-D265 VanDerWaalsContact C-N 3.31Å
264	L	79.9	Confident	81.7	Confident	16 Å²	16	60.3 Å²	60.3	8%	0.084	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-1.1	172	-60.3	174.1	0	0	0	112.8	I147 Y164 A170 F172 Y193 N262 Y266	I147-L264 HydrophobicContact CG2-CB 4.22Å; I147-L264 WeakPolarHBondContact CG2-O 3.41Å; Y164-L264 HydrophobicContact CD1-CD2 4.38Å; A170-L264 HydrophobicContact CB-CD1 3.76Å; F172-L264 HydrophobicContact CE1-CD1 3.85Å; F172-L264 HydrophobicContact CZ-CD1 3.62Å; Y193-L264 HydrophobicContact CD1-CD1 4.39Å; Y193-L264 HydrophobicContact CD2-CD1 4.31Å; Y193-L264 HydrophobicContact CE1-CD1 3.95Å; Y193-L264 HydrophobicContact CE2-CD1 3.84Å; Y193-L264 HydrophobicContact CE2-CG 3.95Å; Y193-L264 WeakPolarHBondContact OH-CB 3.33Å; Y193-L264 PolarHBondContact OH-N 3.35Å; N262-L264 PolarHBondContact O-N 3.02Å; N262-L264 VanDerWaalsContact O-N 3.11Å; L264-Y266 VanDerWaalsContact C-N 3.28Å; L264-Y266 HydrophobicContact CB-CD2 3.98Å; L264-Y266 HydrophobicContact CB-CE2 4.09Å; L264-Y266 HydrophobicContact CD1-CD2 4.36Å; L264-Y266 HydrophobicContact CD1-CE2 3.72Å; L264-Y266 PolarHBondContact O-N 3.48Å
265	D	82	Confident	81	Confident	61 Å²	61	59.7 Å²	59.7	33%	0.326	31%	0.314	S	S	.	.			trans	55.3	40.2	-179.1	-65.2	-41.7	0	0	0	112.9	R148 K149 N262 H263	R148-D265 HydrophobicContact CB-CB 4.22Å; R148-D265 WeakPolarHBondContact CB-O 3.35Å; R148-D265 PolarHBondContact N-O 3.05Å; R148-D265 VanDerWaalsContact N-O 3.1Å; K149-D265 VanDerWaalsContact CE-OD2 3.25Å; K149-D265 WeakPolarHBondContact CE-OD2 3.27Å; K149-D265 IonicContact NZ-OD2 2.85Å; K149-D265 PolarHBondContact NZ-OD2 3.19Å; N262-D265 PolarHBondContact O-N 3Å; H263-D265 VanDerWaalsContact C-N 3.31Å
266	Y	87.3	Confident	80.3	Confident	11 Å²	11	59.5 Å²	59.5	4%	0.043	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	143.7	174.7	-85.1	-67.2	0	0	0	111.6	M145 V146 I147 A170 F172 Y193 F194 N262 L264	M145-Y266 HydrophobicContact CE-CD1 3.76Å; M145-Y266 HydrophobicContact CE-CD2 4.22Å; M145-Y266 HydrophobicContact CE-CE1 3.76Å; M145-Y266 HydrophobicContact CE-CE2 4.22Å; M145-Y266 HydrophobicContact CE-CG 3.96Å; M145-Y266 HydrophobicContact CG-CD1 3.72Å; M145-Y266 HydrophobicContact CG-CE1 4.38Å; M145-Y266 HydrophobicContact CG-CG 4.2Å; M145-Y266 HydrophobicContact SD-CD1 4.3Å; M145-Y266 HydrophobicContact SD-CG 4.33Å; V146-Y266 CarbonylContact O-C 3.6Å; V146-Y266 WeakPolarHBondContact O-CA 3.38Å; I147-Y266 HydrophobicContact CG2-CD1 3.73Å; I147-Y266 HydrophobicContact CG2-CE1 3.81Å; I147-Y266 HydrophobicContact CG2-CG 4.14Å; A170-Y266 HydrophobicContact CB-CE2 4.25Å; A170-Y266 WeakPolarHBondContact CB-OH 3.42Å; F172-Y266 HydrophobicContact CZ-CE2 4.29Å; Y193-Y266 HydrophobicContact CD1-CE2 4.33Å; Y193-Y266 AromaticContact CE1-CD2 3.6Å; Y193-Y266 HydrophobicContact CE1-CD2 3.6Å; Y193-Y266 AromaticContact CE1-CE2 3.56Å; Y193-Y266 HydrophobicContact CE1-CE2 3.56Å; F194-Y266 HydrophobicContact CE1-CE2 4.14Å; N262-Y266 PolarHBondContact ND2-N 2.96Å; N262-Y266 PolarHBondContact ND2-O 3.11Å; N262-Y266 WeakPolarHBondContact OD1-CB 3.42Å; N262-Y266 PolarHBondContact OD1-N 3.2Å; L264-Y266 VanDerWaalsContact C-N 3.28Å; L264-Y266 HydrophobicContact CB-CD2 3.98Å; L264-Y266 HydrophobicContact CB-CE2 4.09Å; L264-Y266 HydrophobicContact CD1-CD2 4.36Å; L264-Y266 HydrophobicContact CD1-CE2 3.72Å; L264-Y266 PolarHBondContact O-N 3.48Å
267	Q	86.6	Confident	79.5	Confident	67 Å²	67	67.1 Å²	67.1	31%	0.313	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	150.5	173.4	59.1	-179.4	-0.5	0	0	110.8	M145 V146 R148	M145-Q267 WeakPolarHBondContact CA-O 3.47Å; V146-Q267 HydrophobicContact CG2-CG 3.93Å; V146-Q267 PolarHBondContact N-O 3.29Å; V146-Q267 WeakPolarHBondContact O-CG 3.45Å; V146-Q267 PolarHBondContact O-N 3.39Å; R148-Q267 HydrophobicContact CB-CG 4.35Å
268	W	88.8	Confident	78.7	Confident	37 Å²	37	67.8 Å²	67.8	14%	0.14	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	120.8	168.9	-71.6	107.3	0	0	0	109.8	L134 R136 Q143 M145 M255 L257	L134-W268 HydrophobicContact CB-CH2 3.83Å; L134-W268 HydrophobicContact CB-CZ3 4.33Å; R136-W268 HydrophobicContact CB-CH2 4.1Å; R136-W268 HydrophobicContact CB-CZ3 4.12Å; R136-W268 HydrophobicContact CG-CD2 4.24Å; R136-W268 HydrophobicContact CG-CE3 3.81Å; R136-W268 HydrophobicContact CG-CH2 3.89Å; R136-W268 HydrophobicContact CG-CZ2 4.34Å; R136-W268 HydrophobicContact CG-CZ3 3.62Å; R136-W268 VanDerWaalsContact CZ-CG 3.4Å; R136-W268 VanDerWaalsContact NE-CD2 3.33Å; R136-W268 VanDerWaalsContact NH2-CD1 3.3Å; R136-W268 VanDerWaalsContact NH2-CG 3.31Å; Q143-W268 HydrophobicContact CB-CB 4.48Å; Q143-W268 HydrophobicContact CB-CE3 3.93Å; M145-W268 HydrophobicContact CB-CD2 4.21Å; M145-W268 HydrophobicContact CB-CE3 3.82Å; M145-W268 HydrophobicContact CB-CH2 4Å; M145-W268 HydrophobicContact CB-CZ2 4.33Å; M145-W268 HydrophobicContact CB-CZ3 3.72Å; M145-W268 HydrophobicContact CG-CD2 4.3Å; M145-W268 HydrophobicContact CG-CE3 4.41Å; M145-W268 HydrophobicContact CG-CZ2 4.46Å; M145-W268 HydrophobicContact SD-CH2 4.46Å; M145-W268 HydrophobicContact SD-CZ2 4Å; M255-W268 HydrophobicContact CE-CZ2 4.39Å; L257-W268 HydrophobicContact CD1-CG 4.14Å
269	K	86.1	Confident	78	Confident	71 Å²	71	59.9 Å²	59.9	31%	0.309	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	129.4	176.1	-170.4	163	-178.5	-179.2	0	110.9	Q143 I144 V146 Y271 E289	Q143-K269 CarbonylContact C-O 3.56Å; Q143-K269 WeakPolarHBondContact CA-O 3.18Å; Q143-K269 WeakPolarHBondContact CB-O 3.43Å; I144-K269 PolarHBondContact N-O 3.17Å; I144-K269 PolarHBondContact O-N 3.35Å; V146-K269 HydrophobicContact CG2-CB 3.77Å; V146-K269 HydrophobicContact CG2-CD 4.28Å; K269-Y271 HydrophobicContact CB-CE2 3.85Å; K269-Y271 HydrophobicContact CD-CE2 4.44Å; K269-Y271 WeakPolarHBondContact CD-OH 3.4Å; K269-Y271 HydrophobicContact CG-CE2 3.89Å; K269-Y271 VanDerWaalsContact O-CD2 3.27Å; K269-Y271 WeakPolarHBondContact O-CD2 3.25Å; K269-Y271 WeakPolarHBondContact O-CE2 3.1Å; K269-E289 WeakPolarHBondContact CD-OE2 3.41Å; K269-E289 WeakPolarHBondContact CE-OE1 3.44Å; K269-E289 IonicContact NZ-OE1 2.78Å; K269-E289 PolarHBondContact NZ-OE1 3.41Å; K269-E289 IonicContact NZ-OE2 3.2Å; K269-E289 PolarHBondContact NZ-OE2 2.93Å
270	S	86	Confident	77.5	Confident	65 Å²	65	63.8 Å²	63.8	46%	0.455	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	139.6	179.2	-51.1	0	0	0	0	111.2	Q143	Q143-S270 PolarHBondContact NE2-OG 2.9Å
271	Y	77.7	Confident	77.3	Confident	23 Å²	23	59.1 Å²	59.1	9%	0.09	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	145.9	175.1	-63.9	-85.8	0	0	0	109.7	K142 I144 K269 T275 L276 T285	K142-Y271 PolarHBondContact O-N 3.46Å; I144-Y271 HydrophobicContact CB-CD2 4.31Å; I144-Y271 HydrophobicContact CB-CE2 3.94Å; I144-Y271 HydrophobicContact CD1-CD2 4.29Å; I144-Y271 HydrophobicContact CD1-CE2 4.31Å; I144-Y271 HydrophobicContact CG1-CD2 4.22Å; I144-Y271 HydrophobicContact CG1-CE2 4.28Å; K269-Y271 HydrophobicContact CB-CE2 3.85Å; K269-Y271 HydrophobicContact CD-CE2 4.44Å; K269-Y271 WeakPolarHBondContact CD-OH 3.4Å; K269-Y271 HydrophobicContact CG-CE2 3.89Å; K269-Y271 VanDerWaalsContact O-CD2 3.27Å; K269-Y271 WeakPolarHBondContact O-CD2 3.25Å; K269-Y271 WeakPolarHBondContact O-CE2 3.1Å; Y271-T275 HydrophobicContact CD1-CG2 4.2Å; Y271-L276 HydrophobicContact CD2-CD1 4.11Å; Y271-L276 HydrophobicContact CG-CD1 4.17Å; Y271-L276 HydrophobicContact CG-CD2 4.41Å; Y271-L276 HydrophobicContact CG-CG 4.27Å; Y271-T285 HydrophobicContact CD1-CG2 3.98Å; Y271-T285 HydrophobicContact CD2-CG2 4.28Å; Y271-T285 HydrophobicContact CE1-CG2 3.31Å; Y271-T285 HydrophobicContact CE2-CG2 3.65Å; Y271-T285 HydrophobicContact CG-CG2 4.42Å; Y271-T285 WeakPolarHBondContact OH-CG2 3.19Å
272	N	74.9	Confident	77	Confident	114 Å²	114	56.3 Å²	56.3	61%	0.61	29%	0.287	S	S	*	.			trans	-64.4	147.3	173.3	-68.9	-8.6	0	0	0	109.5	S274 T275 L276	N272-S274 PolarHBondContact O-N 3.27Å; N272-T275 WeakPolarHBondContact O-CB 3.16Å; N272-T275 PolarHBondContact O-N 2.98Å; N272-L276 PolarHBondContact O-N 3.43Å
273	D	67.5	Low	76.5	Confident	89 Å²	89	55.8 Å²	55.8	48%	0.476	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-26.4	175.8	-91.5	-31.5	0	0	0	112.6	K142 T275 L276 R277	K142-D273 VanDerWaalsContact CD-OD1 3.31Å; K142-D273 WeakPolarHBondContact CD-OD1 3.36Å; K142-D273 WeakPolarHBondContact CE-OD1 3.36Å; K142-D273 IonicContact NZ-OD1 2.98Å; K142-D273 PolarHBondContact NZ-OD1 2.76Å; D273-T275 VanDerWaalsContact C-N 3.31Å; D273-T275 PolarHBondContact O-N 3.33Å; D273-L276 CarbonylContact O-C 3.58Å; D273-R277 VanDerWaalsContact O-CG 3.27Å; D273-R277 WeakPolarHBondContact O-CG 3.41Å
274	S	66.3	Low	76.4	Confident	63 Å²	63	54.2 Å²	54.2	44%	0.441	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-29.4	174.7	60.3	0	0	0	0	114.1	N272 R277	N272-S274 PolarHBondContact O-N 3.27Å; S274-R277 WeakPolarHBondContact O-CG 3.28Å; S274-R277 PolarHBondContact O-NE 3.17Å
275	T	63.8	Low	76.2	Confident	65 Å²	65	54.4 Å²	54.4	40%	0.399	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-38	179.5	-51.2	0	0	0	0	110.4	Y271 N272 D273 R277 S281	Y271-T275 HydrophobicContact CD1-CG2 4.2Å; N272-T275 WeakPolarHBondContact O-CB 3.16Å; N272-T275 PolarHBondContact O-N 2.98Å; D273-T275 VanDerWaalsContact C-N 3.31Å; D273-T275 PolarHBondContact O-N 3.33Å; T275-R277 PolarHBondContact O-N 2.94Å; T275-S281 WeakPolarHBondContact O-CB 3.34Å; T275-S281 PolarHBondContact O-OG 2.88Å
276	L	71.3	Confident	75.9	Confident	9 Å²	9	52 Å²	52	5%	0.047	27%	0.269	C	S	.	.	S	Bend	trans	-101.9	51.4	-179.4	-56.9	-175.2	0	0	0	112.3	K142 I144 Y271 N272 D273 S281 V282	K142-L276 HydrophobicContact CB-CD1 3.88Å; K142-L276 HydrophobicContact CD-CB 4.26Å; K142-L276 HydrophobicContact CD-CD1 4.47Å; I144-L276 HydrophobicContact CD1-CD1 3.67Å; I144-L276 HydrophobicContact CD1-CD2 3.53Å; I144-L276 HydrophobicContact CD1-CG 4.25Å; I144-L276 HydrophobicContact CG1-CD1 3.82Å; Y271-L276 HydrophobicContact CD2-CD1 4.11Å; Y271-L276 HydrophobicContact CG-CD1 4.17Å; Y271-L276 HydrophobicContact CG-CD2 4.41Å; Y271-L276 HydrophobicContact CG-CG 4.27Å; N272-L276 PolarHBondContact O-N 3.43Å; D273-L276 CarbonylContact O-C 3.58Å; L276-S281 WeakPolarHBondContact CA-OG 3.37Å; L276-V282 HydrophobicContact CB-CG2 4.28Å; L276-V282 HydrophobicContact CD2-CG2 3.95Å
277	R	67.4	Low	75.3	Confident	203 Å²	203	52.9 Å²	52.9	77%	0.766	27%	0.273	S	S	*	.	S	Bend	trans	-82.1	-27.8	178.1	-71.6	-177.1	-164.4	-99.9	-0.3	113	D273 S274 T275 S281	D273-R277 VanDerWaalsContact O-CG 3.27Å; D273-R277 WeakPolarHBondContact O-CG 3.41Å; S274-R277 WeakPolarHBondContact O-CG 3.28Å; S274-R277 PolarHBondContact O-NE 3.17Å; T275-R277 PolarHBondContact O-N 2.94Å; R277-S281 PolarHBondContact N-OG 3.2Å
278	S	70.3	Confident	74	Confident	43 Å²	43	53.6 Å²	53.6	30%	0.301	28%	0.279	S	S	.	.	S	Bend	trans	-128.5	157.7	-176.5	70.3	0	0	0	0	111.8	E280 S281 V282	S278-E280 VanDerWaalsContact C-N 3.25Å; S278-E280 PolarHBondContact O-N 2.84Å; S278-S281 PolarHBondContact N-OG 3.39Å; S278-S281 VanDerWaalsContact N-OG 3.11Å; S278-S281 PolarHBondContact O-N 3.16Å; S278-S281 VanDerWaalsContact O-N 3.17Å; S278-S281 PolarHBondContact O-OG 3.42Å; S278-S281 WeakPolarHBondContact OG-CB 3.29Å; S278-S281 PolarHBondContact OG-N 3.47Å; S278-S281 PolarHBondContact OG-OG 3.13Å; S278-V282 PolarHBondContact O-N 3.32Å; S278-V282 VanDerWaalsContact O-N 3.15Å
279	L	69.6	Low	72.2	Confident	33 Å²	33	56.4 Å²	56.4	17%	0.173	29%	0.294	C	S	.	.	H	α-helix	trans	-60.7	-38.8	172.7	175.2	56.8	0	0	0	111.4	I221 I243 S281 V282 V283 I311 I314 L315	I221-L279 HydrophobicContact CD1-CD1 4.48Å; I221-L279 HydrophobicContact CG2-CD1 4.33Å; I221-L279 HydrophobicContact CG2-CD2 3.91Å; I243-L279 HydrophobicContact CD1-CD1 3.01Å; I243-L279 HydrophobicContact CD1-CG 4.47Å; I243-L279 HydrophobicContact CG1-CD1 4.48Å; L279-S281 VanDerWaalsContact C-N 3.34Å; L279-S281 PolarHBondContact O-N 3.04Å; L279-V282 WeakPolarHBondContact O-CB 3.29Å; L279-V282 PolarHBondContact O-N 2.8Å; L279-V283 HydrophobicContact CD1-CG2 4.25Å; L279-V283 WeakPolarHBondContact O-CG2 3.34Å; L279-V283 PolarHBondContact O-N 3.18Å; L279-I311 HydrophobicContact CB-CG2 3.89Å; L279-I311 HydrophobicContact CD2-CG1 4.16Å; L279-I311 HydrophobicContact CD2-CG2 3.79Å; L279-I311 HydrophobicContact CG-CD1 4.14Å; L279-I311 HydrophobicContact CG-CG1 4.09Å; L279-I311 HydrophobicContact CG-CG2 3.73Å; L279-I314 HydrophobicContact CD2-CG2 4.04Å; L279-L315 HydrophobicContact CB-CD1 4.04Å; L279-L315 HydrophobicContact CB-CD2 4.32Å; L279-L315 HydrophobicContact CB-CG 4.42Å
280	E	73	Confident	70.1	Confident	90 Å²	90	60.5 Å²	60.5	42%	0.421	31%	0.312	S	S	.	.	H	α-helix	trans	-54	-48.7	171.1	167.2	176.6	-161.5	0	0	111.6	S278 V282 V283 N284 T308	S278-E280 VanDerWaalsContact C-N 3.25Å; S278-E280 PolarHBondContact O-N 2.84Å; E280-V282 VanDerWaalsContact C-N 3.29Å; E280-V282 PolarHBondContact O-N 2.81Å; E280-V283 PolarHBondContact O-N 3Å; E280-V283 VanDerWaalsContact O-N 3.17Å; E280-N284 WeakPolarHBondContact CG-ND2 3.43Å; E280-N284 WeakPolarHBondContact O-CB 3.42Å; E280-N284 VanDerWaalsContact O-CG 3.25Å; E280-N284 PolarHBondContact O-N 2.99Å; E280-T308 HydrophobicContact CB-CG2 4.07Å; E280-T308 VanDerWaalsContact CD-CG2 3.49Å; E280-T308 HydrophobicContact CG-CG2 3.47Å; E280-T308 VanDerWaalsContact CG-CG2 3.47Å; E280-T308 WeakPolarHBondContact OE1-CG2 3.37Å
281	S	76.5	Confident	67.7	Low	21 Å²	21	60.3 Å²	60.3	15%	0.147	30%	0.304	C	S	.	.	H	α-helix	trans	-63.1	-35.8	179.2	67.2	0	0	0	0	113	T275 L276 R277 S278 L279 T285	T275-S281 WeakPolarHBondContact O-CB 3.34Å; T275-S281 PolarHBondContact O-OG 2.88Å; L276-S281 WeakPolarHBondContact CA-OG 3.37Å; R277-S281 PolarHBondContact N-OG 3.2Å; S278-S281 PolarHBondContact N-OG 3.39Å; S278-S281 VanDerWaalsContact N-OG 3.11Å; S278-S281 PolarHBondContact O-N 3.16Å; S278-S281 VanDerWaalsContact O-N 3.17Å; S278-S281 PolarHBondContact O-OG 3.42Å; S278-S281 WeakPolarHBondContact OG-CB 3.29Å; S278-S281 PolarHBondContact OG-N 3.47Å; S278-S281 PolarHBondContact OG-OG 3.13Å; L279-S281 VanDerWaalsContact C-N 3.34Å; L279-S281 PolarHBondContact O-N 3.04Å; S281-T285 WeakPolarHBondContact O-CB 3.48Å; S281-T285 PolarHBondContact O-N 2.86Å; S281-T285 PolarHBondContact O-OG1 3.34Å
282	V	76.6	Confident	65.3	Low	13 Å²	13	64.7 Å²	64.7	8%	0.079	34%	0.338	C	S	.	.	H	α-helix	trans	-64.8	-45.7	174.3	169.1	0	0	0	0	110.8	I133 I135 I144 I243 L276 S278 L279 E280 T285 A286	I133-V282 HydrophobicContact CG2-CG1 4.08Å; I135-V282 HydrophobicContact CD1-CG1 3.59Å; I135-V282 HydrophobicContact CD1-CG2 4.33Å; I135-V282 HydrophobicContact CG1-CG1 4.32Å; I144-V282 HydrophobicContact CD1-CB 4.33Å; I144-V282 HydrophobicContact CD1-CG1 3.94Å; I144-V282 HydrophobicContact CD1-CG2 4.41Å; I243-V282 HydrophobicContact CD1-CG1 4.34Å; L276-V282 HydrophobicContact CB-CG2 4.28Å; L276-V282 HydrophobicContact CD2-CG2 3.95Å; S278-V282 PolarHBondContact O-N 3.32Å; S278-V282 VanDerWaalsContact O-N 3.15Å; L279-V282 WeakPolarHBondContact O-CB 3.29Å; L279-V282 PolarHBondContact O-N 2.8Å; E280-V282 VanDerWaalsContact C-N 3.29Å; E280-V282 PolarHBondContact O-N 2.81Å; V282-T285 PolarHBondContact O-N 2.86Å; V282-A286 WeakPolarHBondContact O-CB 3.33Å; V282-A286 PolarHBondContact O-N 3.02Å
283	V	76.7	Confident	63.1	Low	0 Å²	0	68.2 Å²	68.2	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-66.6	-51.1	179.7	169.8	0	0	0	0	110.4	I133 I221 L279 E280 T285 A286 F287 L304 V307 I311	I133-V283 HydrophobicContact CD1-CG2 4.1Å; I221-V283 HydrophobicContact CD1-CG2 3.48Å; I221-V283 VanDerWaalsContact CD1-CG2 3.48Å; L279-V283 HydrophobicContact CD1-CG2 4.25Å; L279-V283 WeakPolarHBondContact O-CG2 3.34Å; L279-V283 PolarHBondContact O-N 3.18Å; E280-V283 PolarHBondContact O-N 3Å; E280-V283 VanDerWaalsContact O-N 3.17Å; V283-T285 PolarHBondContact O-N 3.32Å; V283-A286 CarbonylContact O-C 3.59Å; V283-A286 PolarHBondContact O-N 3.23Å; V283-F287 HydrophobicContact CG1-CD2 3.75Å; V283-F287 HydrophobicContact CG1-CE2 4.01Å; V283-F287 WeakPolarHBondContact O-CB 2.83Å; V283-F287 VanDerWaalsContact O-CD2 3.31Å; V283-F287 WeakPolarHBondContact O-CD2 3.35Å; V283-F287 PolarHBondContact O-N 3.39Å; V283-L304 HydrophobicContact CG1-CD1 4.02Å; V283-V307 HydrophobicContact CG1-CB 4.44Å; V283-V307 HydrophobicContact CG1-CG1 3.66Å; V283-I311 HydrophobicContact CB-CD1 3.68Å; V283-I311 HydrophobicContact CG1-CD1 4.01Å; V283-I311 HydrophobicContact CG2-CD1 3.44Å; V283-I311 VanDerWaalsContact CG2-CD1 3.44Å
284	N	75.8	Confident	61.2	Low	44 Å²	44	72.1 Å²	72.1	24%	0.235	37%	0.369	C	S	.	.	H	α-helix	trans	-55.2	-43.8	175.7	-64.9	-11.2	0	0	0	110.5	E280 A286 F287 D288 L304 T308	E280-N284 WeakPolarHBondContact CG-ND2 3.43Å; E280-N284 WeakPolarHBondContact O-CB 3.42Å; E280-N284 VanDerWaalsContact O-CG 3.25Å; E280-N284 PolarHBondContact O-N 2.99Å; N284-A286 VanDerWaalsContact C-N 3.34Å; N284-A286 PolarHBondContact O-N 3.38Å; N284-F287 CarbonylContact O-C 3.56Å; N284-F287 PolarHBondContact O-N 2.81Å; N284-D288 WeakPolarHBondContact O-CA 3.48Å; N284-D288 WeakPolarHBondContact O-CB 3.44Å; N284-D288 PolarHBondContact O-N 2.78Å; N284-L304 HydrophobicContact CB-CD2 4.4Å; N284-L304 WeakPolarHBondContact OD1-CD1 3.47Å; N284-L304 WeakPolarHBondContact OD1-CG 3.34Å; N284-T308 PolarHBondContact OD1-OG1 2.79Å
285	T	76.4	Confident	59.6	Low	21 Å²	21	74.3 Å²	74.3	13%	0.129	37%	0.372	C	S	.	.	H	α-helix	trans	-62.9	-39	176.5	-59.9	0	0	0	0	113	I144 Y271 S281 V282 V283 F287	I144-T285 HydrophobicContact CD1-CG2 3.95Å; Y271-T285 HydrophobicContact CD1-CG2 3.98Å; Y271-T285 HydrophobicContact CD2-CG2 4.28Å; Y271-T285 HydrophobicContact CE1-CG2 3.31Å; Y271-T285 HydrophobicContact CE2-CG2 3.65Å; Y271-T285 HydrophobicContact CG-CG2 4.42Å; Y271-T285 WeakPolarHBondContact OH-CG2 3.19Å; S281-T285 WeakPolarHBondContact O-CB 3.48Å; S281-T285 PolarHBondContact O-N 2.86Å; S281-T285 PolarHBondContact O-OG1 3.34Å; V282-T285 PolarHBondContact O-N 2.86Å; V283-T285 PolarHBondContact O-N 3.32Å; T285-F287 VanDerWaalsContact C-N 3.31Å
286	A	76.4	Confident	57.9	Low	10 Å²	10	76.6 Å²	76.6	8%	0.083	39%	0.39	C	S	.	.	H	α-helix	trans	-71.9	-25.3	178	0	0	0	0	0	112.9	I133 I144 V282 V283 N284	I133-A286 HydrophobicContact CD1-CB 4.06Å; I133-A286 HydrophobicContact CG1-CB 4.19Å; I133-A286 HydrophobicContact CG2-CB 4.19Å; I144-A286 HydrophobicContact CG2-CB 4.5Å; V282-A286 WeakPolarHBondContact O-CB 3.33Å; V282-A286 PolarHBondContact O-N 3.02Å; V283-A286 CarbonylContact O-C 3.59Å; V283-A286 PolarHBondContact O-N 3.23Å; N284-A286 VanDerWaalsContact C-N 3.34Å; N284-A286 PolarHBondContact O-N 3.38Å
287	F	73.9	Confident	56.4	Low	29 Å²	29	77.8 Å²	77.8	13%	0.127	40%	0.399	C	S	.	.	H	α-helix	trans	-106.7	-10.3	-176.1	-80.2	-95.1	0	0	0	114.9	I131 I133 P168 V241 V283 N284 T285 L304	I131-F287 HydrophobicContact CD1-CZ 4.49Å; I131-F287 HydrophobicContact CG2-CZ 4.18Å; I133-F287 HydrophobicContact CD1-CE2 4.17Å; P168-F287 VanDerWaalsContact CB-C 3.49Å; P168-F287 WeakPolarHBondContact CB-O 3.46Å; P168-F287 HydrophobicContact CG-CB 4.3Å; P168-F287 HydrophobicContact CG-CD1 3.81Å; P168-F287 HydrophobicContact CG-CG 4.44Å; P168-F287 VanDerWaalsContact CG-O 3.26Å; P168-F287 WeakPolarHBondContact CG-O 3.25Å; V241-F287 HydrophobicContact CG1-CE2 4.21Å; V241-F287 HydrophobicContact CG1-CZ 4.32Å; V241-F287 HydrophobicContact CG2-CZ 4.14Å; V283-F287 HydrophobicContact CG1-CD2 3.75Å; V283-F287 HydrophobicContact CG1-CE2 4.01Å; V283-F287 WeakPolarHBondContact O-CB 2.83Å; V283-F287 VanDerWaalsContact O-CD2 3.31Å; V283-F287 WeakPolarHBondContact O-CD2 3.35Å; V283-F287 PolarHBondContact O-N 3.39Å; N284-F287 CarbonylContact O-C 3.56Å; N284-F287 PolarHBondContact O-N 2.81Å; T285-F287 VanDerWaalsContact C-N 3.31Å; F287-L304 HydrophobicContact CB-CD1 3.69Å; F287-L304 HydrophobicContact CD2-CD1 4.47Å; F287-L304 HydrophobicContact CG-CD1 4.13Å
288	D	60.2	Low	55.1	Low	83 Å²	83	72.5 Å²	72.5	44%	0.444	39%	0.394	S	S	.	.			trans	-129	15.3	-162.9	-154.8	12.1	0	0	0	115.6	N284 K290 L304	N284-D288 WeakPolarHBondContact O-CA 3.48Å; N284-D288 WeakPolarHBondContact O-CB 3.44Å; N284-D288 PolarHBondContact O-N 2.78Å; D288-K290 VanDerWaalsContact C-N 3.31Å; D288-K290 PolarHBondContact O-N 3.06Å; D288-L304 HydrophobicContact CB-CD2 4.3Å
289	E	50.3	Low	53.9	Low	96 Å²	96	74.6 Å²	74.6	45%	0.449	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	86.9	174.4	-86.9	-155.4	152.3	0	0	113.3	K269	K269-E289 WeakPolarHBondContact CD-OE2 3.41Å; K269-E289 WeakPolarHBondContact CE-OE1 3.44Å; K269-E289 IonicContact NZ-OE1 2.78Å; K269-E289 PolarHBondContact NZ-OE1 3.41Å; K269-E289 IonicContact NZ-OE2 3.2Å; K269-E289 PolarHBondContact NZ-OE2 2.93Å
290	K	42.3	Very low	52.6	Low	157 Å²	157	75.5 Å²	75.5	68%	0.683	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	101.2	78.9	163.1	-61.6	-173.4	-179	177.9	0	117.4	D288	D288-K290 VanDerWaalsContact C-N 3.31Å; D288-K290 PolarHBondContact O-N 3.06Å
291	Q	34	Very low	51.4	Low	60 Å²	60	76.3 Å²	76.3	28%	0.28	41%	0.409	S	S	.	.			trans	-124.5	16.5	141.1	-83.4	-170.3	33	0	0	113.9	K293 Q295	Q291-K293 PolarHBondContact O-N 3.08Å; Q291-Q295 HydrophobicContact CG-CB 4.38Å; Q291-Q295 PolarHBondContact OE1-O 3.49Å
292	S	28.8	Very low	50.3	Low	116 Å²	116	79.3 Å²	79.3	81%	0.811	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	16	-172.4	69.8	0	0	0	0	116.9
293	K	29.2	Very low	49.2	Very low	188 Å²	188	79.6 Å²	79.6	82%	0.817	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-143.4	-0.8	173.5	-104.9	-172.9	-171.6	-176.1	0	120.6	Q291	Q291-K293 PolarHBondContact O-N 3.08Å
294	N	27.4	Very low	48.1	Very low	171 Å²	171	80.7 Å²	80.7	91%	0.914	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-167.2	14.9	172.7	-102	-11.9	0	0	0	118.8
295	Q	31.8	Very low	47.4	Very low	109 Å²	109	84 Å²	84	51%	0.509	44%	0.44	S	S	.	.			trans	-123.1	101.7	175.5	-91.4	171.2	-38.1	0	0	111.1	Q291 S297	Q291-Q295 HydrophobicContact CG-CB 4.38Å; Q291-Q295 PolarHBondContact OE1-O 3.49Å; Q295-S297 PolarHBondContact O-N 3.05Å
296	S	27.3	Very low	46.4	Very low	112 Å²	112	85.2 Å²	85.2	78%	0.783	44%	0.444	S	S	*	.			trans	-73.1	69.5	168.9	169.3	0	0	0	0	109.5
297	S	40	Very low	45.3	Very low	34 Å²	34	84.8 Å²	84.8	24%	0.238	44%	0.44	C	S	.	.			trans	-94.3	89.6	165.3	173.9	0	0	0	0	108.1	Q295 E299 Q300	Q295-S297 PolarHBondContact O-N 3.05Å; S297-E299 PolarHBondContact O-N 3.38Å; S297-Q300 WeakPolarHBondContact OG-CG 3.39Å; S297-Q300 PolarHBondContact OG-N 3Å
298	S	40.4	Very low	44.4	Very low	92 Å²	92	84 Å²	84	64%	0.643	44%	0.437	S	S	*	.	H	α-helix	trans	-59.5	-22.7	174.6	56.5	0	0	0	0	112.4
299	E	44.9	Very low	44	Very low	87 Å²	87	83 Å²	83	41%	0.407	43%	0.432	S	S	.	.	H	α-helix	trans	-73.1	-44.1	-177.9	-57	-163.5	162.5	0	0	113	R111 S297 N301 E302 D303	R111-E299 IonicContact CZ-OE2 2.65Å; R111-E299 IonicContact NH1-OE1 3.06Å; R111-E299 PolarHBondContact NH1-OE1 2.84Å; R111-E299 VanDerWaalsContact NH1-OE1 3.07Å; R111-E299 IonicContact NH1-OE2 2.83Å; R111-E299 PolarHBondContact NH1-OE2 3.29Å; R111-E299 IonicContact NH2-OE2 2.75Å; R111-E299 PolarHBondContact NH2-OE2 2.98Å; S297-E299 PolarHBondContact O-N 3.38Å; E299-N301 VanDerWaalsContact C-N 3.29Å; E299-N301 PolarHBondContact O-N 2.88Å; E299-E302 WeakPolarHBondContact O-CB 3.19Å; E299-E302 PolarHBondContact O-N 3.32Å; E299-D303 PolarHBondContact O-N 2.79Å; E299-D303 VanDerWaalsContact O-OD2 3.13Å
300	Q	42	Very low	43.9	Very low	53 Å²	53	80.2 Å²	80.2	25%	0.248	42%	0.423	C	S	.	.	H	α-helix	trans	-64.5	-34.8	-179	-75	172.1	11.4	0	0	112.7	Y153 S297 E302 D303 L304	Y153-Q300 VanDerWaalsContact CE2-NE2 3.35Å; S297-Q300 WeakPolarHBondContact OG-CG 3.39Å; S297-Q300 PolarHBondContact OG-N 3Å; Q300-E302 VanDerWaalsContact C-N 3.26Å; Q300-E302 PolarHBondContact O-N 3.39Å; Q300-D303 PolarHBondContact O-N 3.31Å; Q300-L304 PolarHBondContact O-N 3.21Å
301	N	48.1	Very low	44.1	Very low	106 Å²	106	72.9 Å²	72.9	57%	0.567	39%	0.391	S	S	*	.	H	α-helix	trans	-64.4	-31.9	174.4	-90	-25.3	0	0	0	112	E299 K305	E299-N301 VanDerWaalsContact C-N 3.29Å; E299-N301 PolarHBondContact O-N 2.88Å; N301-K305 WeakPolarHBondContact O-CB 3.5Å; N301-K305 PolarHBondContact O-N 3.5Å
302	E	53.9	Low	44.4	Very low	85 Å²	85	73.2 Å²	73.2	40%	0.397	41%	0.405	S	S	.	.	H	α-helix	trans	-73	-32.9	176.4	-164.6	166.4	-162.5	0	0	111.7	E299 Q300 K305 K306 G371	E299-E302 WeakPolarHBondContact O-CB 3.19Å; E299-E302 PolarHBondContact O-N 3.32Å; Q300-E302 VanDerWaalsContact C-N 3.26Å; Q300-E302 PolarHBondContact O-N 3.39Å; E302-K305 CarbonylContact O-C 3.34Å; E302-K305 WeakPolarHBondContact O-CB 3.32Å; E302-K305 PolarHBondContact O-N 3.09Å; E302-K306 WeakPolarHBondContact O-CG 3.41Å; E302-K306 PolarHBondContact O-N 3.48Å; E302-G371 WeakPolarHBondContact OE1-CA 3.35Å; E302-G371 PolarHBondContact OE1-N 3.46Å
303	D	53.7	Low	44.8	Very low	18 Å²	18	74.6 Å²	74.6	10%	0.096	40%	0.398	C	S	.	.	H	α-helix	trans	-76.8	-41.8	177	-63.6	-57.6	0	0	0	113.3	S227 E299 Q300 K305 K306 V307	S227-D303 WeakPolarHBondContact CB-OD1 3.46Å; S227-D303 WeakPolarHBondContact CB-OD2 3.46Å; S227-D303 PolarHBondContact OG-OD2 3.39Å; S227-D303 VanDerWaalsContact OG-OD2 3.11Å; E299-D303 PolarHBondContact O-N 2.79Å; E299-D303 VanDerWaalsContact O-OD2 3.13Å; Q300-D303 PolarHBondContact O-N 3.31Å; D303-K305 PolarHBondContact O-N 2.93Å; D303-K306 WeakPolarHBondContact O-CA 3.48Å; D303-K306 WeakPolarHBondContact O-CB 3.13Å; D303-K306 PolarHBondContact O-N 3.16Å; D303-V307 WeakPolarHBondContact O-CG2 3.5Å; D303-V307 PolarHBondContact O-N 2.94Å
304	L	54	Low	45.1	Very low	23 Å²	23	67.6 Å²	67.6	12%	0.12	37%	0.369	C	S	.	.	H	α-helix	trans	-58.8	-39.8	168.8	-175.9	58.2	0	0	0	109.4	V283 N284 F287 D288 Q300 V307 T308	V283-L304 HydrophobicContact CG1-CD1 4.02Å; N284-L304 HydrophobicContact CB-CD2 4.4Å; N284-L304 WeakPolarHBondContact OD1-CD1 3.47Å; N284-L304 WeakPolarHBondContact OD1-CG 3.34Å; F287-L304 HydrophobicContact CB-CD1 3.69Å; F287-L304 HydrophobicContact CD2-CD1 4.47Å; F287-L304 HydrophobicContact CG-CD1 4.13Å; D288-L304 HydrophobicContact CB-CD2 4.3Å; Q300-L304 PolarHBondContact O-N 3.21Å; L304-V307 PolarHBondContact O-N 3.17Å; L304-T308 WeakPolarHBondContact O-CB 3.33Å; L304-T308 PolarHBondContact O-N 3Å; L304-T308 PolarHBondContact O-OG1 3.4Å
305	K	60.2	Low	45.1	Very low	113 Å²	113	62 Å²	62	49%	0.491	34%	0.339	S	S	.	.	H	α-helix	trans	-66.2	-33.3	171.1	-171.9	175.9	-179.6	-175.5	0	112.9	N301 E302 D303 T308 D309	N301-K305 WeakPolarHBondContact O-CB 3.5Å; N301-K305 PolarHBondContact O-N 3.5Å; E302-K305 CarbonylContact O-C 3.34Å; E302-K305 WeakPolarHBondContact O-CB 3.32Å; E302-K305 PolarHBondContact O-N 3.09Å; D303-K305 PolarHBondContact O-N 2.93Å; K305-T308 CarbonylContact O-C 3.54Å; K305-T308 PolarHBondContact O-N 3.31Å; K305-D309 WeakPolarHBondContact CG-OD2 3.35Å; K305-D309 WeakPolarHBondContact O-CA 3.48Å; K305-D309 WeakPolarHBondContact O-CB 3.43Å; K305-D309 PolarHBondContact O-N 3.1Å
306	K	56.6	Low	45.6	Very low	48 Å²	48	59.9 Å²	59.9	21%	0.209	34%	0.335	C	S	.	.	H	α-helix	trans	-65.8	-43.1	171.6	-77.3	178.5	-176.3	179.5	0	111.3	E110 E302 D303 T308 S310	E110-K306 IonicContact OE2-NZ 3.36Å; E110-K306 PolarHBondContact OE2-NZ 3.39Å; E302-K306 WeakPolarHBondContact O-CG 3.41Å; E302-K306 PolarHBondContact O-N 3.48Å; D303-K306 WeakPolarHBondContact O-CA 3.48Å; D303-K306 WeakPolarHBondContact O-CB 3.13Å; D303-K306 PolarHBondContact O-N 3.16Å; K306-T308 VanDerWaalsContact C-N 3.33Å; K306-S310 VanDerWaalsContact O-CB 3.28Å; K306-S310 WeakPolarHBondContact O-CB 3.3Å; K306-S310 PolarHBondContact O-N 2.9Å; K306-S310 PolarHBondContact O-OG 3.01Å
307	V	52.6	Low	45.8	Very low	1 Å²	1	61.4 Å²	61.4	1%	0.006	33%	0.33	C	S	.	.	H	α-helix	trans	-64.7	-41.7	174.9	-177.9	0	0	0	0	109.7	F222 L226 V283 D303 L304 S310 I311	F222-V307 HydrophobicContact CB-CG1 4.31Å; F222-V307 HydrophobicContact CD1-CG2 4.46Å; F222-V307 HydrophobicContact CD2-CB 4.38Å; F222-V307 HydrophobicContact CD2-CG1 4.47Å; F222-V307 HydrophobicContact CD2-CG2 4.06Å; F222-V307 HydrophobicContact CE2-CG2 4.14Å; F222-V307 HydrophobicContact CG-CG1 4.48Å; F222-V307 HydrophobicContact CG-CG2 4.21Å; F222-V307 HydrophobicContact CZ-CG2 4.36Å; L226-V307 HydrophobicContact CD1-CG2 3.92Å; V283-V307 HydrophobicContact CG1-CB 4.44Å; V283-V307 HydrophobicContact CG1-CG1 3.66Å; D303-V307 WeakPolarHBondContact O-CG2 3.5Å; D303-V307 PolarHBondContact O-N 2.94Å; L304-V307 PolarHBondContact O-N 3.17Å; V307-S310 WeakPolarHBondContact O-CB 3.28Å; V307-S310 PolarHBondContact O-N 3.24Å; V307-I311 VanDerWaalsContact O-CG1 3.28Å; V307-I311 WeakPolarHBondContact O-CG1 3.05Å; V307-I311 PolarHBondContact O-N 2.87Å
308	T	54	Low	45.4	Very low	12 Å²	12	64.9 Å²	64.9	7%	0.074	35%	0.346	C	S	.	.	H	α-helix	trans	-75.1	-33.9	179.7	-66.9	0	0	0	0	113.9	E280 N284 L304 K305 K306 S310 I311 A312	E280-T308 HydrophobicContact CB-CG2 4.07Å; E280-T308 VanDerWaalsContact CD-CG2 3.49Å; E280-T308 HydrophobicContact CG-CG2 3.47Å; E280-T308 VanDerWaalsContact CG-CG2 3.47Å; E280-T308 WeakPolarHBondContact OE1-CG2 3.37Å; N284-T308 PolarHBondContact OD1-OG1 2.79Å; L304-T308 WeakPolarHBondContact O-CB 3.33Å; L304-T308 PolarHBondContact O-N 3Å; L304-T308 PolarHBondContact O-OG1 3.4Å; K305-T308 CarbonylContact O-C 3.54Å; K305-T308 PolarHBondContact O-N 3.31Å; K306-T308 VanDerWaalsContact C-N 3.33Å; T308-S310 VanDerWaalsContact C-N 3.33Å; T308-I311 CarbonylContact O-C 3.59Å; T308-I311 VanDerWaalsContact O-CA 3.26Å; T308-I311 WeakPolarHBondContact O-CA 3.39Å; T308-I311 WeakPolarHBondContact O-CB 3.4Å; T308-I311 PolarHBondContact O-N 3.05Å; T308-A312 PolarHBondContact O-N 3.5Å
309	D	53	Low	45.2	Very low	63 Å²	63	68.9 Å²	68.9	34%	0.337	35%	0.354	S	S	.	.	H	α-helix	trans	-71.7	-35.2	172.7	-73.1	-11.3	0	0	0	109	K305 I311 A312 E313	K305-D309 WeakPolarHBondContact CG-OD2 3.35Å; K305-D309 WeakPolarHBondContact O-CA 3.48Å; K305-D309 WeakPolarHBondContact O-CB 3.43Å; K305-D309 PolarHBondContact O-N 3.1Å; D309-I311 PolarHBondContact O-N 2.83Å; D309-A312 WeakPolarHBondContact O-CA 3.5Å; D309-A312 WeakPolarHBondContact O-CB 3.18Å; D309-A312 PolarHBondContact O-N 3.46Å; D309-E313 PolarHBondContact O-N 3.41Å
310	S	47.8	Very low	44.9	Very low	37 Å²	37	73.5 Å²	73.5	26%	0.259	37%	0.373	S	S	.	.	H	α-helix	trans	-61.8	-28.5	166.1	-55.3	0	0	0	0	111.3	F222 K306 V307 T308 I314	F222-S310 WeakPolarHBondContact CD2-OG 3.07Å; K306-S310 VanDerWaalsContact O-CB 3.28Å; K306-S310 WeakPolarHBondContact O-CB 3.3Å; K306-S310 PolarHBondContact O-N 2.9Å; K306-S310 PolarHBondContact O-OG 3.01Å; V307-S310 WeakPolarHBondContact O-CB 3.28Å; V307-S310 PolarHBondContact O-N 3.24Å; T308-S310 VanDerWaalsContact C-N 3.33Å; S310-I314 WeakPolarHBondContact O-CD1 3.5Å; S310-I314 WeakPolarHBondContact O-CG1 3.46Å
311	I	47	Very low	44.5	Very low	2 Å²	2	75.3 Å²	75.3	1%	0.01	39%	0.388	C	S	.	.	H	α-helix	trans	-75.9	-31.3	170.5	-62.9	159.2	0	0	0	111.8	L279 V283 V307 T308 D309 E313 I314 L315	L279-I311 HydrophobicContact CB-CG2 3.89Å; L279-I311 HydrophobicContact CD2-CG1 4.16Å; L279-I311 HydrophobicContact CD2-CG2 3.79Å; L279-I311 HydrophobicContact CG-CD1 4.14Å; L279-I311 HydrophobicContact CG-CG1 4.09Å; L279-I311 HydrophobicContact CG-CG2 3.73Å; V283-I311 HydrophobicContact CB-CD1 3.68Å; V283-I311 HydrophobicContact CG1-CD1 4.01Å; V283-I311 HydrophobicContact CG2-CD1 3.44Å; V283-I311 VanDerWaalsContact CG2-CD1 3.44Å; V307-I311 VanDerWaalsContact O-CG1 3.28Å; V307-I311 WeakPolarHBondContact O-CG1 3.05Å; V307-I311 PolarHBondContact O-N 2.87Å; T308-I311 CarbonylContact O-C 3.59Å; T308-I311 VanDerWaalsContact O-CA 3.26Å; T308-I311 WeakPolarHBondContact O-CA 3.39Å; T308-I311 WeakPolarHBondContact O-CB 3.4Å; T308-I311 PolarHBondContact O-N 3.05Å; D309-I311 PolarHBondContact O-N 2.83Å; I311-E313 PolarHBondContact O-N 3.06Å; I311-I314 CarbonylContact O-C 3.46Å; I311-I314 VanDerWaalsContact O-CA 3.25Å; I311-I314 WeakPolarHBondContact O-CA 3.36Å; I311-I314 WeakPolarHBondContact O-CB 3.37Å; I311-I314 PolarHBondContact O-N 2.82Å; I311-L315 HydrophobicContact CG2-CD1 3.75Å; I311-L315 HydrophobicContact CG2-CG 3.92Å; I311-L315 PolarHBondContact O-N 2.77Å
312	A	39.9	Very low	43.7	Very low	68 Å²	68	78 Å²	78	56%	0.562	40%	0.397	S	S	*	.	H	α-helix	trans	-63.8	-29.1	175.4	0	0	0	0	0	111.3	T308 D309 I314	T308-A312 PolarHBondContact O-N 3.5Å; D309-A312 WeakPolarHBondContact O-CA 3.5Å; D309-A312 WeakPolarHBondContact O-CB 3.18Å; D309-A312 PolarHBondContact O-N 3.46Å; A312-I314 PolarHBondContact O-N 2.9Å
313	E	36.8	Very low	42.7	Very low	144 Å²	144	77.5 Å²	77.5	67%	0.673	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-16.1	166.5	-69.2	-168	159.5	0	0	113.6	D309 I311	D309-E313 PolarHBondContact O-N 3.41Å; I311-E313 PolarHBondContact O-N 3.06Å
314	I	35.1	Very low	41.6	Very low	42 Å²	42	84.6 Å²	84.6	22%	0.215	44%	0.435	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	-11.4	-175	-61.4	166.5	0	0	0	112.9	I221 L279 S310 I311 A312 K524	I221-I314 HydrophobicContact CB-CD1 4.4Å; I221-I314 VanDerWaalsContact O-CD1 3.26Å; I221-I314 WeakPolarHBondContact O-CD1 3.39Å; L279-I314 HydrophobicContact CD2-CG2 4.04Å; S310-I314 WeakPolarHBondContact O-CD1 3.5Å; S310-I314 WeakPolarHBondContact O-CG1 3.46Å; I311-I314 CarbonylContact O-C 3.46Å; I311-I314 VanDerWaalsContact O-CA 3.25Å; I311-I314 WeakPolarHBondContact O-CA 3.36Å; I311-I314 WeakPolarHBondContact O-CB 3.37Å; I311-I314 PolarHBondContact O-N 2.82Å; A312-I314 PolarHBondContact O-N 2.9Å; I314-K524 CarbonylContact C-O 3.55Å; I314-K524 VanDerWaalsContact CA-O 3.27Å; I314-K524 WeakPolarHBondContact CA-O 3.42Å; I314-K524 WeakPolarHBondContact O-CB 3.47Å; I314-K524 VanDerWaalsContact O-O 3.13Å
315	L	28.9	Very low	40.9	Very low	53 Å²	53	90.9 Å²	90.9	28%	0.277	47%	0.465	S	S	.	.	S	Bend	trans	-116.4	134.8	178.8	-69.3	179.6	0	0	0	112.1	L279 I311 Q317	L279-L315 HydrophobicContact CB-CD1 4.04Å; L279-L315 HydrophobicContact CB-CD2 4.32Å; L279-L315 HydrophobicContact CB-CG 4.42Å; I311-L315 HydrophobicContact CG2-CD1 3.75Å; I311-L315 HydrophobicContact CG2-CG 3.92Å; I311-L315 PolarHBondContact O-N 2.77Å; L315-Q317 PolarHBondContact O-N 3.11Å
316	P	41	Very low	40	Very low	65 Å²	65	95.2 Å²	95.2	42%	0.422	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-62.6	123.4	172.3	24.3	-29.7	0	0	0	109.2	D318	P316-D318 PolarHBondContact O-N 2.97Å
317	Q	31.5	Very low	39.6	Very low	144 Å²	144	101.7 Å²	101.7	67%	0.673	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-53.6	125.9	155.7	-84.1	-170.9	-29	0	0	106.8	L315 E319	L315-Q317 PolarHBondContact O-N 3.11Å; Q317-E319 PolarHBondContact O-N 2.97Å; Q317-E319 VanDerWaalsContact O-N 3.1Å
318	D	31.4	Very low	39.9	Very low	107 Å²	107	104.1 Å²	104.1	57%	0.572	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-48.4	120.3	170.6	-168.7	-13.2	0	0	0	107.8	P316 K320 T321	P316-D318 PolarHBondContact O-N 2.97Å; D318-K320 PolarHBondContact O-N 2.86Å; D318-K320 PolarHBondContact OD1-N 3.2Å; D318-T321 PolarHBondContact O-N 3.14Å; D318-T321 PolarHBondContact O-OG1 3.14Å
319	E	37.8	Very low	40.6	Very low	176 Å²	176	113 Å²	113	82%	0.822	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.8	-13.8	178.6	-79.7	-176.7	163	0	0	111.6	Q317	Q317-E319 PolarHBondContact O-N 2.97Å; Q317-E319 VanDerWaalsContact O-N 3.1Å
320	K	37.4	Very low	41.9	Very low	184 Å²	184	111.4 Å²	111.4	80%	0.8	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	-17.1	174.8	-70.3	-172.4	176.1	-178.1	0	115.3	D318 Q322	D318-K320 PolarHBondContact O-N 2.86Å; D318-K320 PolarHBondContact OD1-N 3.2Å; K320-Q322 PolarHBondContact O-N 2.75Å
321	T	34.5	Very low	43.7	Very low	91 Å²	91	112.5 Å²	112.5	56%	0.558	57%	0.573	S	S	*	*	S	Bend	trans	-81.3	81.7	159.2	19.1	0	0	0	0	107	D318 C323	D318-T321 PolarHBondContact O-N 3.14Å; D318-T321 PolarHBondContact O-OG1 3.14Å; T321-C323 VanDerWaalsContact C-N 3.3Å; T321-C323 PolarHBondContact O-N 3.4Å
322	Q	30.9	Very low	45.6	Very low	161 Å²	161	117.3 Å²	117.3	75%	0.752	60%	0.596	S	S	*	*			trans	-39.9	111.5	147.2	-82.6	-179.3	-12.6	0	0	105.3	K320 Q324	K320-Q322 PolarHBondContact O-N 2.75Å; Q322-Q324 PolarHBondContact O-N 3.3Å
323	C	33.4	Very low	47.8	Very low	76 Å²	76	121.6 Å²	121.6	51%	0.514	60%	0.604	S	S	.	*			trans	-67.9	80.1	178.7	-145	0	0	0	0	105.2	T321 M325	T321-C323 VanDerWaalsContact C-N 3.3Å; T321-C323 PolarHBondContact O-N 3.4Å; C323-M325 HydrophobicContact CB-CG 4.09Å; C323-M325 PolarHBondContact O-N 3.32Å; C323-M325 WeakPolarHBondContact SG-CG 3.31Å
324	Q	30.7	Very low	50.4	Low	167 Å²	167	120.3 Å²	120.3	78%	0.78	60%	0.596	S	S	*	*			trans	-64.7	72.9	146.5	-68	-166.8	1	0	0	103.9	Q322 K326	Q322-Q324 PolarHBondContact O-N 3.3Å; Q324-K326 PolarHBondContact O-N 2.91Å
325	M	38.5	Very low	52.9	Low	154 Å²	154	119.4 Å²	119.4	76%	0.759	59%	0.591	S	S	*	*			trans	-53.1	102.9	161.2	-68.9	-166.8	107.3	0	0	103	C323 K327	C323-M325 HydrophobicContact CB-CG 4.09Å; C323-M325 PolarHBondContact O-N 3.32Å; C323-M325 WeakPolarHBondContact SG-CG 3.31Å; M325-K327 PolarHBondContact O-N 2.93Å
326	K	41.1	Very low	55.9	Low	204 Å²	204	119.3 Å²	119.3	89%	0.887	59%	0.59	S	S	*	*			trans	-57.4	100.3	169.7	-84.4	-176.6	175.5	178.6	0	103.6	Q324 A328	Q324-K326 PolarHBondContact O-N 2.91Å; K326-A328 PolarHBondContact O-N 2.81Å
327	K	49	Very low	58.4	Low	184 Å²	184	119.7 Å²	119.7	80%	0.8	59%	0.589	S	S	*	*			trans	-53.8	110.4	169.9	-77.7	-178	177.1	177.7	0	104.1	M325 Q329	M325-K327 PolarHBondContact O-N 2.93Å; K327-Q329 PolarHBondContact O-N 3.29Å
328	A	59	Low	61.3	Low	53 Å²	53	112.8 Å²	112.8	44%	0.438	56%	0.557	S	S	.	*			trans	-52	119.6	173.3	0	0	0	0	0	106	K326 W330 K366	K326-A328 PolarHBondContact O-N 2.81Å; A328-W330 PolarHBondContact O-N 3.36Å; A328-K366 HydrophobicContact CB-CB 4.13Å
329	Q	68.1	Low	64.2	Low	199 Å²	199	107.7 Å²	107.7	93%	0.93	53%	0.529	S	S	*	.			trans	-59.9	115.7	-176.8	-79.5	-174.2	-22.1	0	0	108	K327	K327-Q329 PolarHBondContact O-N 3.29Å
330	W	80.7	Confident	66.9	Low	29 Å²	29	105 Å²	105	11%	0.11	51%	0.511	C	S	.	.			trans	-127.9	109.9	177.4	-167.7	9	0	0	0	107	A328 E332 K335 A338 K366 A375 L377 L412	A328-W330 PolarHBondContact O-N 3.36Å; W330-E332 PolarHBondContact O-N 3.39Å; W330-K335 HydrophobicContact CD2-CB 3.79Å; W330-K335 HydrophobicContact CD2-CG 3.83Å; W330-K335 HydrophobicContact CE3-CB 4.21Å; W330-K335 HydrophobicContact CE3-CG 3.7Å; W330-K335 HydrophobicContact CG-CB 4.13Å; W330-K335 HydrophobicContact CG-CG 4.5Å; W330-K335 HydrophobicContact CH2-CG 4.22Å; W330-K335 HydrophobicContact CZ2-CB 4.24Å; W330-K335 HydrophobicContact CZ2-CG 4.31Å; W330-K335 HydrophobicContact CZ3-CG 3.9Å; W330-A338 HydrophobicContact CH2-CB 4.09Å; W330-A338 HydrophobicContact CZ2-CB 3.57Å; W330-K366 HydrophobicContact CD2-CD 4.27Å; W330-K366 HydrophobicContact CD2-CG 3.96Å; W330-K366 HydrophobicContact CE3-CG 3.76Å; W330-K366 HydrophobicContact CG-CD 4.33Å; W330-K366 HydrophobicContact CG-CG 4.42Å; W330-K366 HydrophobicContact CZ3-CG 4.1Å; W330-A375 HydrophobicContact CH2-CB 3.99Å; W330-A375 HydrophobicContact CZ3-CB 4.16Å; W330-L377 HydrophobicContact CH2-CD2 3.66Å; W330-L377 HydrophobicContact CZ3-CD2 3.86Å; W330-L412 HydrophobicContact CH2-CD1 3.64Å; W330-L412 HydrophobicContact CZ2-CD1 3.76Å
331	A	85.7	Confident	69.5	Low	59 Å²	59	99 Å²	99	49%	0.488	49%	0.488	S	S	.	.			trans	-54.5	132.7	179.3	0	0	0	0	0	110.3	E333 K334 K335	A331-E333 VanDerWaalsContact C-N 3.26Å; A331-E333 PolarHBondContact O-N 3.44Å; A331-K334 HydrophobicContact CB-CB 4.39Å; A331-K334 HydrophobicContact CB-CG 4.35Å; A331-K334 PolarHBondContact O-N 2.89Å; A331-K334 VanDerWaalsContact O-N 3.15Å; A331-K335 WeakPolarHBondContact O-CB 3.28Å; A331-K335 PolarHBondContact O-N 3.49Å
332	E	85.3	Confident	72.2	Confident	103 Å²	103	94.7 Å²	94.7	48%	0.481	46%	0.462	S	S	.	.	H	α-helix	trans	-61.5	-35	-171.3	-163.9	64	-156.1	0	0	111.9	W330 K335 I336	W330-E332 PolarHBondContact O-N 3.39Å; E332-K335 WeakPolarHBondContact O-CB 3.25Å; E332-K335 PolarHBondContact O-N 3.06Å; E332-K335 WeakPolarHBondContact OE1-CD 3.27Å; E332-K335 IonicContact OE1-NZ 3.26Å; E332-K335 PolarHBondContact OE1-NZ 2.95Å; E332-K335 VanDerWaalsContact OE2-CD 3.3Å; E332-K335 WeakPolarHBondContact OE2-CD 3.08Å; E332-K335 IonicContact OE2-NZ 2.85Å; E332-K335 PolarHBondContact OE2-NZ 2.77Å; E332-I336 HydrophobicContact CG-CD1 4.33Å; E332-I336 VanDerWaalsContact O-CG1 3.31Å; E332-I336 WeakPolarHBondContact O-CG1 3.5Å; E332-I336 PolarHBondContact O-N 2.9Å
333	E	88.1	Confident	75.2	Confident	158 Å²	158	87.3 Å²	87.3	74%	0.738	43%	0.427	S	S	*	.	H	α-helix	trans	-61	-52.3	174.3	-64.7	177.8	-179.3	0	0	111.9	A331 K335 I336 D337	A331-E333 VanDerWaalsContact C-N 3.26Å; A331-E333 PolarHBondContact O-N 3.44Å; E333-K335 PolarHBondContact O-N 2.88Å; E333-I336 PolarHBondContact O-N 2.94Å; E333-I336 VanDerWaalsContact O-N 3.14Å; E333-D337 PolarHBondContact O-N 3.05Å
334	K	89.6	Confident	77.9	Confident	117 Å²	117	89.2 Å²	89.2	51%	0.509	43%	0.428	S	S	.	.	H	α-helix	trans	-58.8	-35.1	176.6	-71.7	-169.1	177.2	-174.2	0	112.3	A331 A338 E415	A331-K334 HydrophobicContact CB-CB 4.39Å; A331-K334 HydrophobicContact CB-CG 4.35Å; A331-K334 PolarHBondContact O-N 2.89Å; A331-K334 VanDerWaalsContact O-N 3.15Å; K334-A338 WeakPolarHBondContact O-CB 3.19Å; K334-A338 PolarHBondContact O-N 3.11Å; K334-E415 HydrophobicContact CB-CG 3.94Å; K334-E415 VanDerWaalsContact O-CG 3.32Å; K334-E415 WeakPolarHBondContact O-CG 3.35Å
335	K	89.1	Confident	80.6	Confident	23 Å²	23	85.6 Å²	85.6	10%	0.1	41%	0.41	C	S	.	.	H	α-helix	trans	-70.7	-40.8	178.7	-174.8	-151.7	-178.4	-171.3	0	111.5	W330 A331 E332 E333 A338 A339 L361 G364	W330-K335 HydrophobicContact CD2-CB 3.79Å; W330-K335 HydrophobicContact CD2-CG 3.83Å; W330-K335 HydrophobicContact CE3-CB 4.21Å; W330-K335 HydrophobicContact CE3-CG 3.7Å; W330-K335 HydrophobicContact CG-CB 4.13Å; W330-K335 HydrophobicContact CG-CG 4.5Å; W330-K335 HydrophobicContact CH2-CG 4.22Å; W330-K335 HydrophobicContact CZ2-CB 4.24Å; W330-K335 HydrophobicContact CZ2-CG 4.31Å; W330-K335 HydrophobicContact CZ3-CG 3.9Å; A331-K335 WeakPolarHBondContact O-CB 3.28Å; A331-K335 PolarHBondContact O-N 3.49Å; E332-K335 WeakPolarHBondContact O-CB 3.25Å; E332-K335 PolarHBondContact O-N 3.06Å; E332-K335 WeakPolarHBondContact OE1-CD 3.27Å; E332-K335 IonicContact OE1-NZ 3.26Å; E332-K335 PolarHBondContact OE1-NZ 2.95Å; E332-K335 VanDerWaalsContact OE2-CD 3.3Å; E332-K335 WeakPolarHBondContact OE2-CD 3.08Å; E332-K335 IonicContact OE2-NZ 2.85Å; E332-K335 PolarHBondContact OE2-NZ 2.77Å; E333-K335 PolarHBondContact O-N 2.88Å; K335-A338 PolarHBondContact O-N 2.65Å; K335-A339 PolarHBondContact O-N 3.5Å; K335-L361 HydrophobicContact CB-CD2 4.33Å; K335-L361 HydrophobicContact CD-CD2 3.5Å; K335-L361 HydrophobicContact CG-CD2 3.46Å; K335-L361 VanDerWaalsContact CG-CD2 3.46Å; K335-G364 WeakPolarHBondContact CE-O 3.46Å
336	I	92.3	Very high	82.9	Confident	51 Å²	51	78.3 Å²	78.3	26%	0.262	37%	0.374	S	S	.	.	H	α-helix	trans	-65.3	-42.2	172.7	-68.7	166	0	0	0	110.6	E332 E333 A338 A339 R340 L361	E332-I336 HydrophobicContact CG-CD1 4.33Å; E332-I336 VanDerWaalsContact O-CG1 3.31Å; E332-I336 WeakPolarHBondContact O-CG1 3.5Å; E332-I336 PolarHBondContact O-N 2.9Å; E333-I336 PolarHBondContact O-N 2.94Å; E333-I336 VanDerWaalsContact O-N 3.14Å; I336-A338 PolarHBondContact O-N 3.29Å; I336-A339 VanDerWaalsContact O-CB 3.32Å; I336-A339 WeakPolarHBondContact O-CB 3.39Å; I336-A339 PolarHBondContact O-N 3.2Å; I336-A339 VanDerWaalsContact O-N 3.12Å; I336-R340 WeakPolarHBondContact O-CG 3.26Å; I336-R340 PolarHBondContact O-N 3.49Å; I336-L361 HydrophobicContact CG1-CB 4.4Å; I336-L361 HydrophobicContact CG1-CD2 4.44Å
337	D	92.1	Very high	85.1	Confident	73 Å²	73	71 Å²	71	39%	0.39	34%	0.342	S	S	.	.	H	α-helix	trans	-64.5	-40.9	177.5	-73	-18.6	0	0	0	112	E333 A339 R340 N341	E333-D337 PolarHBondContact O-N 3.05Å; D337-A339 VanDerWaalsContact C-N 3.29Å; D337-A339 PolarHBondContact O-N 3.32Å; D337-R340 PolarHBondContact O-N 3.03Å; D337-R340 IonicContact OD1-NH1 3.27Å; D337-R340 PolarHBondContact OD1-NH1 3.38Å; D337-N341 WeakPolarHBondContact O-CB 3.45Å; D337-N341 VanDerWaalsContact O-CG 3.29Å; D337-N341 PolarHBondContact O-N 3.49Å; D337-N341 PolarHBondContact O-ND2 3.36Å
338	A	92	Very high	86.8	Confident	0 Å²	0	69.9 Å²	69.9	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-58.5	-42.4	170.7	0	0	0	0	0	112.4	W330 K334 K335 I336 N341 V342 L412 E415	W330-A338 HydrophobicContact CH2-CB 4.09Å; W330-A338 HydrophobicContact CZ2-CB 3.57Å; K334-A338 WeakPolarHBondContact O-CB 3.19Å; K334-A338 PolarHBondContact O-N 3.11Å; K335-A338 PolarHBondContact O-N 2.65Å; I336-A338 PolarHBondContact O-N 3.29Å; A338-N341 PolarHBondContact O-N 3.5Å; A338-V342 WeakPolarHBondContact O-CB 3.05Å; A338-V342 WeakPolarHBondContact O-CG2 3.27Å; A338-V342 PolarHBondContact O-N 2.78Å; A338-L412 HydrophobicContact CB-CD1 3.84Å; A338-E415 VanDerWaalsContact CA-O 3.29Å; A338-E415 WeakPolarHBondContact CA-O 3.15Å; A338-E415 HydrophobicContact CB-CB 4.02Å; A338-E415 HydrophobicContact CB-CG 4.19Å
339	A	93.3	Very high	87.9	Confident	0 Å²	0	71.4 Å²	71.4	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-62.1	-43.1	176.3	0	0	0	0	0	112.8	K335 I336 D337 V342 F343 F358 L361 M379	K335-A339 PolarHBondContact O-N 3.5Å; I336-A339 VanDerWaalsContact O-CB 3.32Å; I336-A339 WeakPolarHBondContact O-CB 3.39Å; I336-A339 PolarHBondContact O-N 3.2Å; I336-A339 VanDerWaalsContact O-N 3.12Å; D337-A339 VanDerWaalsContact C-N 3.29Å; D337-A339 PolarHBondContact O-N 3.32Å; A339-V342 PolarHBondContact O-N 3.02Å; A339-F343 VanDerWaalsContact O-CB 3.3Å; A339-F343 WeakPolarHBondContact O-CB 3.48Å; A339-F343 PolarHBondContact O-N 2.88Å; A339-F358 HydrophobicContact CB-CE2 3.82Å; A339-F358 HydrophobicContact CB-CZ 3.91Å; A339-L361 HydrophobicContact CB-CB 4.16Å; A339-L361 HydrophobicContact CB-CD1 3.68Å; A339-L361 HydrophobicContact CB-CD2 4.26Å; A339-L361 HydrophobicContact CB-CG 4.26Å; A339-M379 HydrophobicContact CB-CE 4.23Å
340	R	93.9	Very high	88.5	Confident	118 Å²	118	62.2 Å²	62.2	45%	0.445	30%	0.295	S	S	.	.	H	α-helix	trans	-62.8	-45.4	175.1	-70.5	175.9	-179.7	143.7	-6	111.5	I336 D337 V342 F343 H344 F358	I336-R340 WeakPolarHBondContact O-CG 3.26Å; I336-R340 PolarHBondContact O-N 3.49Å; D337-R340 PolarHBondContact O-N 3.03Å; D337-R340 IonicContact OD1-NH1 3.27Å; D337-R340 PolarHBondContact OD1-NH1 3.38Å; R340-V342 PolarHBondContact O-N 3.45Å; R340-F343 PolarHBondContact O-N 3.45Å; R340-H344 PolarHBondContact O-CD2 2.99Å; R340-H344 PolarHBondContact O-N 3.01Å; R340-F358 HydrophobicContact CG-CD1 4Å; R340-F358 HydrophobicContact CG-CE1 3.99Å; R340-F358 HydrophobicContact CG-CG 4.28Å; R340-F358 HydrophobicContact CG-CZ 4.27Å
341	N	92.2	Very high	88.1	Confident	59 Å²	59	65.9 Å²	65.9	32%	0.316	31%	0.312	S	S	.	.	H	α-helix	trans	-61.4	-44.2	177.6	-72.5	-32.3	0	0	0	112	D337 A338 H344 K345 E415	D337-N341 WeakPolarHBondContact O-CB 3.45Å; D337-N341 VanDerWaalsContact O-CG 3.29Å; D337-N341 PolarHBondContact O-N 3.49Å; D337-N341 PolarHBondContact O-ND2 3.36Å; A338-N341 PolarHBondContact O-N 3.5Å; N341-H344 PolarHBondContact O-N 3.4Å; N341-K345 PolarHBondContact O-N 2.96Å; N341-E415 PolarHBondContact ND2-O 3.16Å
342	V	92.4	Very high	87.4	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-65.1	-44.2	175.2	167.4	0	0	0	0	110.7	A338 A339 R340 H344 K345 L346 L377 M379 W408 L412 H417	A338-V342 WeakPolarHBondContact O-CB 3.05Å; A338-V342 WeakPolarHBondContact O-CG2 3.27Å; A338-V342 PolarHBondContact O-N 2.78Å; A339-V342 PolarHBondContact O-N 3.02Å; R340-V342 PolarHBondContact O-N 3.45Å; V342-H344 VanDerWaalsContact C-N 3.32Å; V342-H344 PolarHBondContact O-N 3.36Å; V342-K345 WeakPolarHBondContact O-CA 3.3Å; V342-K345 WeakPolarHBondContact O-CB 3.16Å; V342-K345 PolarHBondContact O-N 2.84Å; V342-L346 HydrophobicContact CG1-CD1 4.02Å; V342-L346 HydrophobicContact CG1-CG 4.1Å; V342-L346 WeakPolarHBondContact O-CG 3.4Å; V342-L346 PolarHBondContact O-N 2.75Å; V342-L377 HydrophobicContact CB-CD1 4.1Å; V342-L377 HydrophobicContact CG1-CD1 4.43Å; V342-L377 HydrophobicContact CG2-CD1 3.82Å; V342-M379 HydrophobicContact CB-CE 4.42Å; V342-M379 HydrophobicContact CG1-CE 4.05Å; V342-W408 HydrophobicContact CB-CD2 4.49Å; V342-W408 HydrophobicContact CG1-CB 3.84Å; V342-W408 HydrophobicContact CG1-CD2 3.54Å; V342-W408 HydrophobicContact CG1-CE3 4.06Å; V342-W408 HydrophobicContact CG1-CG 3.42Å; V342-W408 VanDerWaalsContact CG1-CG 3.42Å; V342-W408 HydrophobicContact CG2-CD2 4.09Å; V342-W408 HydrophobicContact CG2-CE3 4.02Å; V342-W408 HydrophobicContact CG2-CH2 4.14Å; V342-W408 HydrophobicContact CG2-CZ2 4.22Å; V342-W408 HydrophobicContact CG2-CZ3 4.05Å; V342-L412 HydrophobicContact CG2-CD2 3.79Å; V342-H417 HydrophobicContact CG2-CB 4.35Å
343	F	92.5	Very high	86.2	Confident	6 Å²	6	65.5 Å²	65.5	3%	0.026	31%	0.308	C	S	.	.	H	α-helix	trans	-57.9	-43.3	175.9	174	-109.4	0	0	0	112	A339 R340 K345 L346 K347 F356 F358 M379 I381	A339-F343 VanDerWaalsContact O-CB 3.3Å; A339-F343 WeakPolarHBondContact O-CB 3.48Å; A339-F343 PolarHBondContact O-N 2.88Å; R340-F343 PolarHBondContact O-N 3.45Å; F343-K345 PolarHBondContact O-N 2.86Å; F343-L346 PolarHBondContact O-N 3.15Å; F343-L346 VanDerWaalsContact O-N 3.16Å; F343-K347 HydrophobicContact CE1-CD 4.13Å; F343-K347 HydrophobicContact CZ-CB 4.4Å; F343-K347 HydrophobicContact CZ-CD 4.16Å; F343-K347 HydrophobicContact CZ-CG 4.44Å; F343-K347 VanDerWaalsContact O-CB 3.27Å; F343-K347 WeakPolarHBondContact O-CB 3.43Å; F343-K347 PolarHBondContact O-N 3.39Å; F343-F356 HydrophobicContact CZ-CB 4.23Å; F343-F358 HydrophobicContact CB-CD2 3.9Å; F343-F358 HydrophobicContact CD1-CB 3.64Å; F343-F358 HydrophobicContact CD1-CD2 4.36Å; F343-F358 HydrophobicContact CD1-CG 4.48Å; F343-F358 HydrophobicContact CE1-CB 3.9Å; F343-F358 VanDerWaalsContact CE1-N 3.32Å; F343-F358 HydrophobicContact CG-CB 4.16Å; F343-F358 HydrophobicContact CG-CD2 4.07Å; F343-M379 HydrophobicContact CB-SD 3.81Å; F343-M379 HydrophobicContact CD2-SD 4.44Å; F343-I381 HydrophobicContact CD2-CG2 3.62Å; F343-I381 HydrophobicContact CE2-CB 3.97Å; F343-I381 HydrophobicContact CE2-CD1 3.81Å; F343-I381 HydrophobicContact CE2-CG1 4.49Å; F343-I381 HydrophobicContact CE2-CG2 3.52Å; F343-I381 HydrophobicContact CZ-CG2 4.36Å
344	H	89.6	Confident	84.8	Confident	116 Å²	116	65.2 Å²	65.2	54%	0.537	31%	0.311	S	S	.	.	H	α-helix	trans	-57.4	-33.3	175	-82.6	-66.2	0	0	0	112.8	R340 N341 V342	R340-H344 PolarHBondContact O-CD2 2.99Å; R340-H344 PolarHBondContact O-N 3.01Å; N341-H344 PolarHBondContact O-N 3.4Å; V342-H344 VanDerWaalsContact C-N 3.32Å; V342-H344 PolarHBondContact O-N 3.36Å
345	K	88	Confident	84	Confident	92 Å²	92	64.2 Å²	64.2	40%	0.4	31%	0.308	S	S	.	.	H	α-helix	trans	-75.8	-45.8	173.8	-173.4	64.8	175	-179	0	112	N341 V342 F343 K347 K348	N341-K345 PolarHBondContact O-N 2.96Å; V342-K345 WeakPolarHBondContact O-CA 3.3Å; V342-K345 WeakPolarHBondContact O-CB 3.16Å; V342-K345 PolarHBondContact O-N 2.84Å; F343-K345 PolarHBondContact O-N 2.86Å; K345-K347 VanDerWaalsContact C-N 3.29Å; K345-K347 PolarHBondContact O-N 3.32Å; K345-K348 WeakPolarHBondContact O-CB 3.47Å; K345-K348 PolarHBondContact O-N 2.56Å
346	L	87.9	Confident	83.8	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-60.3	-39.2	177.6	-68.2	-178.8	0	0	0	112	V342 F343 K348 L349 I350 C406 W408 M420 A423 L453	V342-L346 HydrophobicContact CG1-CD1 4.02Å; V342-L346 HydrophobicContact CG1-CG 4.1Å; V342-L346 WeakPolarHBondContact O-CG 3.4Å; V342-L346 PolarHBondContact O-N 2.75Å; F343-L346 PolarHBondContact O-N 3.15Å; F343-L346 VanDerWaalsContact O-N 3.16Å; L346-K348 PolarHBondContact O-N 2.68Å; L346-K348 VanDerWaalsContact O-N 3.15Å; L346-L349 WeakPolarHBondContact O-CA 3.18Å; L346-L349 WeakPolarHBondContact O-CB 3.23Å; L346-L349 PolarHBondContact O-N 2.95Å; L346-I350 WeakPolarHBondContact O-CG1 3.44Å; L346-I350 PolarHBondContact O-N 3.47Å; L346-C406 HydrophobicContact CD1-CB 4.35Å; L346-W408 HydrophobicContact CD1-CB 4.28Å; L346-M420 HydrophobicContact CD2-SD 4.01Å; L346-A423 HydrophobicContact CD2-CB 3.61Å; L346-L453 HydrophobicContact CD2-CD2 3.68Å
347	K	86.2	Confident	83.5	Confident	51 Å²	51	63.1 Å²	63.1	22%	0.222	31%	0.306	C	S	.	.	H	α-helix	trans	-51.8	-39.4	178.1	-170.7	173.5	-177.7	171	0	111.1	F343 K345 L349 I350 P353 F356	F343-K347 HydrophobicContact CE1-CD 4.13Å; F343-K347 HydrophobicContact CZ-CB 4.4Å; F343-K347 HydrophobicContact CZ-CD 4.16Å; F343-K347 HydrophobicContact CZ-CG 4.44Å; F343-K347 VanDerWaalsContact O-CB 3.27Å; F343-K347 WeakPolarHBondContact O-CB 3.43Å; F343-K347 PolarHBondContact O-N 3.39Å; K345-K347 VanDerWaalsContact C-N 3.29Å; K345-K347 PolarHBondContact O-N 3.32Å; K347-L349 PolarHBondContact O-N 3.42Å; K347-I350 PolarHBondContact O-N 3.38Å; K347-P353 WeakPolarHBondContact CE-O 3.28Å; K347-P353 HydrophobicContact CG-CB 4.14Å; K347-P353 WeakPolarHBondContact CG-O 3.46Å; K347-P353 WeakPolarHBondContact O-CB 3.47Å; K347-F356 WeakPolarHBondContact CE-O 3.32Å; K347-F356 PolarHBondContact NZ-O 3.11Å
348	K	84.3	Confident	83.4	Confident	161 Å²	161	61.7 Å²	61.7	70%	0.7	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-17.4	177.9	-60.3	-179.8	-179.5	-174.8	0	114.3	K345 L346	K345-K348 WeakPolarHBondContact O-CB 3.47Å; K345-K348 PolarHBondContact O-N 2.56Å; L346-K348 PolarHBondContact O-N 2.68Å; L346-K348 VanDerWaalsContact O-N 3.15Å
349	L	81.9	Confident	83.3	Confident	84 Å²	84	63.8 Å²	63.8	44%	0.44	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	-17.5	-179.4	-59.6	176.5	0	0	0	113.1	L346 K347 M420 L453	L346-L349 WeakPolarHBondContact O-CA 3.18Å; L346-L349 WeakPolarHBondContact O-CB 3.23Å; L346-L349 PolarHBondContact O-N 2.95Å; K347-L349 PolarHBondContact O-N 3.42Å; L349-M420 HydrophobicContact CD1-CE 3.33Å; L349-M420 HydrophobicContact CD1-SD 4.45Å; L349-L453 HydrophobicContact CB-CD1 3.81Å; L349-L453 HydrophobicContact CB-CD2 4.2Å
350	I	82.4	Confident	83.2	Confident	6 Å²	6	69.4 Å²	69.4	3%	0.031	33%	0.332	C	S	.	.	S	Bend	trans	-70.6	138.6	176.1	-70.6	167.1	0	0	0	109.2	L346 K347 N352 F356 I381 L452 L453	L346-I350 WeakPolarHBondContact O-CG1 3.44Å; L346-I350 PolarHBondContact O-N 3.47Å; K347-I350 PolarHBondContact O-N 3.38Å; I350-N352 PolarHBondContact O-N 2.62Å; I350-F356 HydrophobicContact CG2-CD2 3.72Å; I350-F356 HydrophobicContact CG2-CE2 3.62Å; I350-F356 HydrophobicContact CG2-CZ 4.5Å; I350-I381 HydrophobicContact CD1-CD1 3.87Å; I350-L452 HydrophobicContact CG2-CB 4.18Å; I350-L453 HydrophobicContact CG1-CB 4.15Å
351	K	71.3	Confident	83.1	Confident	106 Å²	106	64.7 Å²	64.7	46%	0.461	32%	0.316	S	S	.	.	S	Bend	trans	-56.1	126	168.8	-62.5	178	-178.2	177.6	0	109.4	D450 L452	K351-D450 IonicContact NZ-OD1 3.81Å; K351-D450 PolarHBondContact NZ-OD1 2.97Å; K351-D450 IonicContact NZ-OD2 2.76Å; K351-D450 PolarHBondContact NZ-OD2 2.96Å; K351-L452 PolarHBondContact N-O 2.7Å
352	N	70.3	Confident	82.8	Confident	99 Å²	99	64.3 Å²	64.3	53%	0.529	31%	0.313	S	S	.	.	S	Bend	trans	60.7	68.2	-176	-56.6	-16.5	0	0	0	114.1	I350 L354 E355	I350-N352 PolarHBondContact O-N 2.62Å; N352-L354 VanDerWaalsContact C-N 3.28Å; N352-L354 PolarHBondContact O-N 3Å; N352-L354 VanDerWaalsContact O-N 3.13Å; N352-E355 HydrophobicContact CB-CG 4.1Å; N352-E355 PolarHBondContact O-N 2.91Å; N352-E355 VanDerWaalsContact O-N 3.16Å
353	P	60.7	Low	82.5	Confident	56 Å²	56	67.8 Å²	67.8	36%	0.364	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-54.6	-38.5	-173.6	21.2	-34.7	0	0	0	114	K347 E355 F356	K347-P353 WeakPolarHBondContact CE-O 3.28Å; K347-P353 HydrophobicContact CG-CB 4.14Å; K347-P353 WeakPolarHBondContact CG-O 3.46Å; K347-P353 WeakPolarHBondContact O-CB 3.47Å; P353-E355 PolarHBondContact O-N 3.38Å; P353-E355 VanDerWaalsContact O-N 3.15Å; P353-F356 PolarHBondContact O-N 2.63Å
354	L	59.4	Low	82.2	Confident	152 Å²	152	68.2 Å²	68.2	80%	0.796	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-65.2	-19.6	-173.9	-66.3	170.9	0	0	0	113.3	N352 F356 N384	N352-L354 VanDerWaalsContact C-N 3.28Å; N352-L354 PolarHBondContact O-N 3Å; N352-L354 VanDerWaalsContact O-N 3.13Å; L354-F356 VanDerWaalsContact C-N 3.32Å; L354-F356 PolarHBondContact O-N 3.25Å; L354-N384 PolarHBondContact O-ND2 3.37Å
355	E	73	Confident	82	Confident	96 Å²	96	64.8 Å²	64.8	45%	0.449	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-83.2	3.4	-175.5	-65.2	179.8	176.6	0	0	113.8	N352 P353 P383 N384	N352-E355 HydrophobicContact CB-CG 4.1Å; N352-E355 PolarHBondContact O-N 2.91Å; N352-E355 VanDerWaalsContact O-N 3.16Å; P353-E355 PolarHBondContact O-N 3.38Å; P353-E355 VanDerWaalsContact O-N 3.15Å; E355-P383 CarbonylContact O-C 3.34Å; E355-P383 WeakPolarHBondContact O-CA 3.27Å; E355-N384 PolarHBondContact O-N 3.49Å
356	F	83.2	Confident	81.8	Confident	9 Å²	9	63.7 Å²	63.7	4%	0.039	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	142.7	-176.2	-57.6	-81.3	0	0	0	114.5	F343 K347 I350 P353 L354 I381 K382 P383 V404 L452	F343-F356 HydrophobicContact CZ-CB 4.23Å; K347-F356 WeakPolarHBondContact CE-O 3.32Å; K347-F356 PolarHBondContact NZ-O 3.11Å; I350-F356 HydrophobicContact CG2-CD2 3.72Å; I350-F356 HydrophobicContact CG2-CE2 3.62Å; I350-F356 HydrophobicContact CG2-CZ 4.5Å; P353-F356 PolarHBondContact O-N 2.63Å; L354-F356 VanDerWaalsContact C-N 3.32Å; L354-F356 PolarHBondContact O-N 3.25Å; F356-I381 HydrophobicContact CB-CD1 4.16Å; F356-I381 HydrophobicContact CD1-CD1 4.14Å; F356-I381 HydrophobicContact CD1-CG1 4.43Å; F356-I381 HydrophobicContact CG-CD1 4.22Å; F356-K382 WeakPolarHBondContact CA-O 3.46Å; F356-P383 HydrophobicContact CD1-CB 4.13Å; F356-P383 HydrophobicContact CE1-CB 3.94Å; F356-V404 HydrophobicContact CD1-CG2 4.32Å; F356-V404 HydrophobicContact CE1-CG2 3.87Å; F356-L452 HydrophobicContact CE1-CD1 4Å; F356-L452 HydrophobicContact CZ-CD1 3.8Å; F356-L452 HydrophobicContact CZ-CD2 4.27Å
357	S	86.9	Confident	81	Confident	41 Å²	41	65.5 Å²	65.5	29%	0.287	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	149.6	172.1	51.5	0	0	0	0	111.5	D359 I381 K382 N384	S357-D359 PolarHBondContact O-N 3.33Å; S357-I381 CarbonylContact O-C 3.55Å; S357-I381 WeakPolarHBondContact O-CA 3.4Å; S357-I381 WeakPolarHBondContact O-CB 3.31Å; S357-K382 PolarHBondContact N-O 3.43Å; S357-K382 PolarHBondContact O-N 2.93Å; S357-K382 PolarHBondContact OG-O 2.94Å; S357-N384 VanDerWaalsContact CB-OD1 3.23Å; S357-N384 WeakPolarHBondContact CB-OD1 3.26Å; S357-N384 PolarHBondContact OG-OD1 2.81Å
358	F	89.8	Confident	80	Confident	44 Å²	44	69.6 Å²	69.6	19%	0.193	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	127.8	174.8	-178.5	-94.6	0	0	0	109.3	A339 R340 F343 L361 M379	A339-F358 HydrophobicContact CB-CE2 3.82Å; A339-F358 HydrophobicContact CB-CZ 3.91Å; R340-F358 HydrophobicContact CG-CD1 4Å; R340-F358 HydrophobicContact CG-CE1 3.99Å; R340-F358 HydrophobicContact CG-CG 4.28Å; R340-F358 HydrophobicContact CG-CZ 4.27Å; F343-F358 HydrophobicContact CB-CD2 3.9Å; F343-F358 HydrophobicContact CD1-CB 3.64Å; F343-F358 HydrophobicContact CD1-CD2 4.36Å; F343-F358 HydrophobicContact CD1-CG 4.48Å; F343-F358 HydrophobicContact CE1-CB 3.9Å; F343-F358 VanDerWaalsContact CE1-N 3.32Å; F343-F358 HydrophobicContact CG-CB 4.16Å; F343-F358 HydrophobicContact CG-CD2 4.07Å; F358-L361 HydrophobicContact CZ-CB 4.29Å; F358-M379 HydrophobicContact CD2-SD 4.18Å; F358-M379 HydrophobicContact CE2-CB 4.02Å; F358-M379 HydrophobicContact CE2-CG 4.5Å; F358-M379 HydrophobicContact CE2-SD 3.98Å
359	D	89.7	Confident	78.7	Confident	44 Å²	44	63.8 Å²	63.8	24%	0.235	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	-65.9	175.6	-174.5	24.9	0	0	0	110.2	S357 K380 K382	S357-D359 PolarHBondContact O-N 3.33Å; D359-K380 HydrophobicContact CB-CB 4.25Å; D359-K380 HydrophobicContact CB-CG 4.05Å; D359-K380 VanDerWaalsContact CB-O 3.3Å; D359-K380 WeakPolarHBondContact CB-O 3.35Å; D359-K380 PolarHBondContact N-O 3.35Å; D359-K380 WeakPolarHBondContact OD2-CD 3.49Å; D359-K380 WeakPolarHBondContact OD2-CE 3.05Å; D359-K380 WeakPolarHBondContact OD2-CG 3.43Å; D359-K380 IonicContact OD2-NZ 2.7Å; D359-K382 HydrophobicContact CB-CD 3.87Å; D359-K382 HydrophobicContact CB-CG 3.89Å; D359-K382 VanDerWaalsContact CG-NZ 3.33Å; D359-K382 WeakPolarHBondContact OD1-CE 3.44Å; D359-K382 IonicContact OD1-NZ 3.06Å; D359-K382 PolarHBondContact OD1-NZ 3.19Å; D359-K382 WeakPolarHBondContact OD2-CE 3.19Å; D359-K382 IonicContact OD2-NZ 2.69Å
360	K	91.5	Very high	77.2	Confident	117 Å²	117	64.4 Å²	64.4	51%	0.509	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	156.3	179.2	63.7	177.6	-175.8	176	0	112.8	M379 K380	K360-M379 WeakPolarHBondContact O-CA 3.26Å; K360-K380 HydrophobicContact CG-CB 4.06Å; K360-K380 PolarHBondContact N-O 3.15Å; K360-K380 PolarHBondContact O-N 3.19Å
361	L	91.2	Very high	75.6	Confident	20 Å²	20	66.4 Å²	66.4	11%	0.105	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	136	164	-176.6	67	0	0	0	109.7	K335 I336 A339 F358 V363 L377 H378 M379	K335-L361 HydrophobicContact CB-CD2 4.33Å; K335-L361 HydrophobicContact CD-CD2 3.5Å; K335-L361 HydrophobicContact CG-CD2 3.46Å; K335-L361 VanDerWaalsContact CG-CD2 3.46Å; I336-L361 HydrophobicContact CG1-CB 4.4Å; I336-L361 HydrophobicContact CG1-CD2 4.44Å; A339-L361 HydrophobicContact CB-CB 4.16Å; A339-L361 HydrophobicContact CB-CD1 3.68Å; A339-L361 HydrophobicContact CB-CD2 4.26Å; A339-L361 HydrophobicContact CB-CG 4.26Å; F358-L361 HydrophobicContact CZ-CB 4.29Å; L361-V363 VanDerWaalsContact CD1-O 3.27Å; L361-V363 WeakPolarHBondContact CD1-O 3.38Å; L361-L377 HydrophobicContact CD1-CB 4.44Å; L361-L377 HydrophobicContact CD1-CD2 4.13Å; L361-H378 WeakPolarHBondContact CD1-O 3.48Å; L361-M379 HydrophobicContact CD1-CB 4.34Å
362	I	87	Confident	74.7	Confident	51 Å²	51	62.9 Å²	62.9	26%	0.262	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	-53.3	175.9	-55.7	169.9	0	0	0	109.1	H378 K380 Y405 M431	I362-H378 WeakPolarHBondContact CA-O 3.39Å; I362-H378 WeakPolarHBondContact CB-O 3.27Å; I362-H378 VanDerWaalsContact CD1-CD2 3.44Å; I362-H378 WeakPolarHBondContact CD1-CD2 3.15Å; I362-H378 WeakPolarHBondContact CD1-NE2 3.17Å; I362-H378 PolarHBondContact N-O 3.17Å; I362-K380 HydrophobicContact CD1-CB 4.07Å; I362-K380 HydrophobicContact CG1-CB 4.34Å; I362-Y405 HydrophobicContact CD1-CD1 3.66Å; I362-Y405 HydrophobicContact CD1-CE1 3.77Å; I362-M431 HydrophobicContact CD1-SD 4.24Å; I362-M431 HydrophobicContact CG2-SD 4.04Å
363	V	86.1	Confident	74.6	Confident	73 Å²	73	64.9 Å²	64.9	44%	0.442	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	141.5	179.3	-179.6	0	0	0	0	109.4	L361 L377 H378	L361-V363 VanDerWaalsContact CD1-O 3.27Å; L361-V363 WeakPolarHBondContact CD1-O 3.38Å; V363-L377 CarbonylContact O-C 3.48Å; V363-L377 WeakPolarHBondContact O-CA 3.5Å; V363-H378 HydrophobicContact CB-CB 4.22Å; V363-H378 PolarHBondContact N-O 3.44Å; V363-H378 PolarHBondContact O-N 3.02Å
364	G	86.6	Confident	75.3	Confident	15 Å²	15	62.2 Å²	62.2	16%	0.155	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	136.4	170.4	0	0	0	0	0	109.6	K335 I376	K335-G364 WeakPolarHBondContact CE-O 3.46Å; G364-I376 CarbonylContact C-O 3.48Å; G364-I376 VanDerWaalsContact CA-O 3.26Å; G364-I376 WeakPolarHBondContact CA-O 3.37Å
365	S	85.7	Confident	76.6	Confident	44 Å²	44	55 Å²	55	31%	0.308	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	144.1	177.8	-165.3	0	0	0	0	110.2	A375 I376	S365-A375 CarbonylContact O-C 3.59Å; S365-A375 WeakPolarHBondContact O-CA 3.42Å; S365-I376 PolarHBondContact N-O 3.23Å; S365-I376 PolarHBondContact O-N 3.3Å
366	K	81.8	Confident	77.2	Confident	69 Å²	69	53.8 Å²	53.8	30%	0.3	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	135.8	163.8	-70.8	-176.5	178.7	180	0	108.2	A328 W330 G374 E415	A328-K366 HydrophobicContact CB-CB 4.13Å; W330-K366 HydrophobicContact CD2-CD 4.27Å; W330-K366 HydrophobicContact CD2-CG 3.96Å; W330-K366 HydrophobicContact CE3-CG 3.76Å; W330-K366 HydrophobicContact CG-CD 4.33Å; W330-K366 HydrophobicContact CG-CG 4.42Å; W330-K366 HydrophobicContact CZ3-CG 4.1Å; K366-G374 CarbonylContact C-O 3.54Å; K366-G374 WeakPolarHBondContact CA-O 2.98Å; K366-E415 IonicContact NZ-OE1 2.68Å; K366-E415 PolarHBondContact NZ-OE1 3.17Å
367	C	71.3	Confident	77.5	Confident	37 Å²	37	53.4 Å²	53.4	25%	0.25	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	141.9	-178.2	-61.3	0	0	0	0	108	I369 G374	C367-I369 HydrophobicContact CB-CG1 4.08Å; C367-I369 PolarHBondContact O-N 2.93Å; C367-G374 PolarHBondContact N-O 3.43Å; C367-G374 CarbonylContact O-C 3.59Å; C367-G374 WeakPolarHBondContact O-CA 3.42Å; C367-G374 PolarHBondContact O-N 2.93Å
368	N	65.3	Low	77.6	Confident	138 Å²	138	51.5 Å²	51.5	74%	0.738	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.2	112	164.9	-70.8	-12.2	0	0	0	106.7
369	I	58.4	Low	77.7	Confident	38 Å²	38	49.4 Å²	49.4	20%	0.195	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	150	174.5	-53.2	-175	0	0	0	106.4	C367 G371 G372 I409 I421	C367-I369 HydrophobicContact CB-CG1 4.08Å; C367-I369 PolarHBondContact O-N 2.93Å; I369-G371 PolarHBondContact O-N 3.18Å; I369-G372 PolarHBondContact N-O 2.91Å; I369-G372 PolarHBondContact O-N 2.77Å; I369-I409 HydrophobicContact CD1-CD1 4.05Å; I369-I409 HydrophobicContact CD1-CG1 3.9Å; I369-I421 HydrophobicContact CD1-CD1 4.17Å; I369-I421 HydrophobicContact CG2-CD1 3.96Å
370	T	49.5	Very low	77.7	Confident	97 Å²	97	49.4 Å²	49.4	60%	0.595	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.8	123.1	170.2	42.9	0	0	0	0	110
371	G	48.7	Very low	77.6	Confident	48 Å²	48	43.9 Å²	43.9	50%	0.495	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.4	5.5	-174.4	0	0	0	0	0	116.3	E302 I369	E302-G371 WeakPolarHBondContact OE1-CA 3.35Å; E302-G371 PolarHBondContact OE1-N 3.46Å; I369-G371 PolarHBondContact O-N 3.18Å
372	G	52.5	Low	77.2	Confident	32 Å²	32	47.7 Å²	47.7	33%	0.33	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	143.3	-162.4	165.1	0	0	0	0	0	116.9	I369 G374	I369-G372 PolarHBondContact N-O 2.91Å; I369-G372 PolarHBondContact O-N 2.77Å; G372-G374 PolarHBondContact O-N 3.39Å
373	H	68	Low	76.7	Confident	141 Å²	141	47 Å²	47	65%	0.653	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.5	89.3	177.2	-66.8	69.4	0	0	0	109.2
374	G	75.1	Confident	76	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	169.4	173	0	0	0	0	0	112.6	K366 C367 G372 G410	K366-G374 CarbonylContact C-O 3.54Å; K366-G374 WeakPolarHBondContact CA-O 2.98Å; C367-G374 PolarHBondContact N-O 3.43Å; C367-G374 CarbonylContact O-C 3.59Å; C367-G374 WeakPolarHBondContact O-CA 3.42Å; C367-G374 PolarHBondContact O-N 2.93Å; G372-G374 PolarHBondContact O-N 3.39Å; G374-G410 CarbonylContact C-O 3.49Å; G374-G410 WeakPolarHBondContact CA-O 3.44Å
375	A	86.5	Confident	74.8	Confident	1 Å²	1	50.9 Å²	50.9	1%	0.008	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	148.4	173.1	0	0	0	0	0	110.7	W330 S365 W408 I409 G410 L412	W330-A375 HydrophobicContact CH2-CB 3.99Å; W330-A375 HydrophobicContact CZ3-CB 4.16Å; S365-A375 CarbonylContact O-C 3.59Å; S365-A375 WeakPolarHBondContact O-CA 3.42Å; A375-W408 HydrophobicContact CB-CZ3 4.27Å; A375-I409 WeakPolarHBondContact O-CA 3.07Å; A375-G410 PolarHBondContact N-O 3.39Å; A375-G410 PolarHBondContact O-N 2.92Å; A375-G410 VanDerWaalsContact O-N 3.1Å; A375-L412 HydrophobicContact CB-CD1 3.52Å; A375-L412 HydrophobicContact CB-CG 3.97Å
376	I	86.9	Confident	73.1	Confident	71 Å²	71	54.9 Å²	54.9	36%	0.364	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	128.3	172.6	-57.9	176.5	0	0	0	106.9	G364 S365 W408 I409	G364-I376 CarbonylContact C-O 3.48Å; G364-I376 VanDerWaalsContact CA-O 3.26Å; G364-I376 WeakPolarHBondContact CA-O 3.37Å; S365-I376 PolarHBondContact N-O 3.23Å; S365-I376 PolarHBondContact O-N 3.3Å; I376-W408 WeakPolarHBondContact CA-O 3.49Å; I376-I409 HydrophobicContact CD1-CD1 4.12Å; I376-I409 HydrophobicContact CG1-CB 4.42Å; I376-I409 HydrophobicContact CG1-CD1 3.95Å; I376-I409 HydrophobicContact CG1-CG1 3.96Å
377	L	90	Very high	71.4	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	129.8	-179.4	-63	175.6	0	0	0	109.5	W330 V342 L361 V363 M379 S407 W408	W330-L377 HydrophobicContact CH2-CD2 3.66Å; W330-L377 HydrophobicContact CZ3-CD2 3.86Å; V342-L377 HydrophobicContact CB-CD1 4.1Å; V342-L377 HydrophobicContact CG1-CD1 4.43Å; V342-L377 HydrophobicContact CG2-CD1 3.82Å; L361-L377 HydrophobicContact CD1-CB 4.44Å; L361-L377 HydrophobicContact CD1-CD2 4.13Å; V363-L377 CarbonylContact O-C 3.48Å; V363-L377 WeakPolarHBondContact O-CA 3.5Å; L377-M379 HydrophobicContact CB-CE 4.02Å; L377-M379 HydrophobicContact CD1-CE 4.49Å; L377-S407 CarbonylContact O-C 3.57Å; L377-S407 WeakPolarHBondContact O-CA 2.87Å; L377-W408 HydrophobicContact CB-CE3 4.31Å; L377-W408 HydrophobicContact CD1-CE3 3.9Å; L377-W408 HydrophobicContact CD1-CZ3 4.18Å; L377-W408 HydrophobicContact CG-CE3 4.11Å; L377-W408 HydrophobicContact CG-CZ3 4.49Å; L377-W408 PolarHBondContact N-O 3.29Å; L377-W408 PolarHBondContact O-N 2.92Å
378	H	88.8	Confident	70.1	Confident	2 Å²	2	60.9 Å²	60.9	1%	0.009	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	121.3	170.3	-174.3	62.4	0	0	0	109.7	L361 I362 V363 Y405 C406 S407 E439	L361-H378 WeakPolarHBondContact CD1-O 3.48Å; I362-H378 WeakPolarHBondContact CA-O 3.39Å; I362-H378 WeakPolarHBondContact CB-O 3.27Å; I362-H378 VanDerWaalsContact CD1-CD2 3.44Å; I362-H378 WeakPolarHBondContact CD1-CD2 3.15Å; I362-H378 WeakPolarHBondContact CD1-NE2 3.17Å; I362-H378 PolarHBondContact N-O 3.17Å; V363-H378 HydrophobicContact CB-CB 4.22Å; V363-H378 PolarHBondContact N-O 3.44Å; V363-H378 PolarHBondContact O-N 3.02Å; H378-Y405 AromaticContact NE2-CD1 3.7Å; H378-C406 WeakPolarHBondContact CA-O 3.26Å; H378-C406 PolarHBondContact ND1-O 3.05Å; H378-S407 PolarHBondContact CE1-OG 2.89Å; H378-S407 PolarHBondContact ND1-OG 3.28Å; H378-E439 IonicContact CD2-OE2 2.75Å; H378-E439 PolarHBondContact CD2-OE2 3.35Å; H378-E439 IonicContact CE1-OE2 3.31Å; H378-E439 PolarHBondContact CE1-OE2 2.97Å; H378-E439 IonicContact CG-OE1 2.79Å; H378-E439 IonicContact CG-OE2 3.48Å; H378-E439 IonicContact ND1-OE2 2.67Å; H378-E439 PolarHBondContact ND1-OE2 2.78Å; H378-E439 IonicContact NE2-OE2 2.84Å; H378-E439 PolarHBondContact NE2-OE2 2.82Å; H378-E439 VanDerWaalsContact NE2-OE2 3.14Å
379	M	91.1	Very high	69	Low	0 Å²	0	62.2 Å²	62.2	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	151.2	-171.9	65.4	-169.6	76.8	0	0	112	A339 V342 F343 F358 K360 L361 L377 I381 C406	A339-M379 HydrophobicContact CB-CE 4.23Å; V342-M379 HydrophobicContact CB-CE 4.42Å; V342-M379 HydrophobicContact CG1-CE 4.05Å; F343-M379 HydrophobicContact CB-SD 3.81Å; F343-M379 HydrophobicContact CD2-SD 4.44Å; F358-M379 HydrophobicContact CD2-SD 4.18Å; F358-M379 HydrophobicContact CE2-CB 4.02Å; F358-M379 HydrophobicContact CE2-CG 4.5Å; F358-M379 HydrophobicContact CE2-SD 3.98Å; K360-M379 WeakPolarHBondContact O-CA 3.26Å; L361-M379 HydrophobicContact CD1-CB 4.34Å; L377-M379 HydrophobicContact CB-CE 4.02Å; L377-M379 HydrophobicContact CD1-CE 4.49Å; M379-I381 HydrophobicContact CG-CG2 4.27Å; M379-C406 HydrophobicContact CG-CB 3.91Å; M379-C406 PolarHBondContact N-O 2.76Å; M379-C406 PolarHBondContact O-N 2.97Å
380	K	89.6	Confident	68.2	Low	44 Å²	44	63.8 Å²	63.8	19%	0.191	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	136.3	170.4	-174.8	169.4	166.8	172	0	109.1	D359 K360 I362 V403	D359-K380 HydrophobicContact CB-CB 4.25Å; D359-K380 HydrophobicContact CB-CG 4.05Å; D359-K380 VanDerWaalsContact CB-O 3.3Å; D359-K380 WeakPolarHBondContact CB-O 3.35Å; D359-K380 PolarHBondContact N-O 3.35Å; D359-K380 WeakPolarHBondContact OD2-CD 3.49Å; D359-K380 WeakPolarHBondContact OD2-CE 3.05Å; D359-K380 WeakPolarHBondContact OD2-CG 3.43Å; D359-K380 IonicContact OD2-NZ 2.7Å; K360-K380 HydrophobicContact CG-CB 4.06Å; K360-K380 PolarHBondContact N-O 3.15Å; K360-K380 PolarHBondContact O-N 3.19Å; I362-K380 HydrophobicContact CD1-CB 4.07Å; I362-K380 HydrophobicContact CG1-CB 4.34Å; K380-V403 HydrophobicContact CD-CG1 3.56Å; K380-V403 HydrophobicContact CG-CG1 3.5Å; K380-V403 VanDerWaalsContact CG-CG1 3.5Å
381	I	89	Confident	68.1	Low	0 Å²	0	67.1 Å²	67.1	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	150	173.4	74.4	175.1	0	0	0	109.4	F343 I350 F356 S357 M379 V404 C406	F343-I381 HydrophobicContact CD2-CG2 3.62Å; F343-I381 HydrophobicContact CE2-CB 3.97Å; F343-I381 HydrophobicContact CE2-CD1 3.81Å; F343-I381 HydrophobicContact CE2-CG1 4.49Å; F343-I381 HydrophobicContact CE2-CG2 3.52Å; F343-I381 HydrophobicContact CZ-CG2 4.36Å; I350-I381 HydrophobicContact CD1-CD1 3.87Å; F356-I381 HydrophobicContact CB-CD1 4.16Å; F356-I381 HydrophobicContact CD1-CD1 4.14Å; F356-I381 HydrophobicContact CD1-CG1 4.43Å; F356-I381 HydrophobicContact CG-CD1 4.22Å; S357-I381 CarbonylContact O-C 3.55Å; S357-I381 WeakPolarHBondContact O-CA 3.4Å; S357-I381 WeakPolarHBondContact O-CB 3.31Å; M379-I381 HydrophobicContact CG-CG2 4.27Å; I381-V404 HydrophobicContact CD1-CB 4.17Å; I381-V404 HydrophobicContact CD1-CG1 3.66Å; I381-V404 HydrophobicContact CG1-CB 3.46Å; I381-V404 VanDerWaalsContact CG1-CB 3.46Å; I381-V404 HydrophobicContact CG1-CG1 3.47Å; I381-V404 VanDerWaalsContact CG1-CG1 3.47Å; I381-V404 HydrophobicContact CG1-CG2 4.41Å; I381-V404 PolarHBondContact N-O 3.45Å; I381-V404 PolarHBondContact O-N 3.16Å; I381-C406 VanDerWaalsContact CD1-SG 3.52Å
382	K	83.2	Confident	68.1	Low	101 Å²	101	73.9 Å²	73.9	44%	0.439	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	138.3	-177.3	-82.7	167.5	172.1	161.5	0	110	F356 S357 D359	F356-K382 WeakPolarHBondContact CA-O 3.46Å; S357-K382 PolarHBondContact N-O 3.43Å; S357-K382 PolarHBondContact O-N 2.93Å; S357-K382 PolarHBondContact OG-O 2.94Å; D359-K382 HydrophobicContact CB-CD 3.87Å; D359-K382 HydrophobicContact CB-CG 3.89Å; D359-K382 VanDerWaalsContact CG-NZ 3.33Å; D359-K382 WeakPolarHBondContact OD1-CE 3.44Å; D359-K382 IonicContact OD1-NZ 3.06Å; D359-K382 PolarHBondContact OD1-NZ 3.19Å; D359-K382 WeakPolarHBondContact OD2-CE 3.19Å; D359-K382 IonicContact OD2-NZ 2.69Å
383	P	76.9	Confident	67.4	Low	36 Å²	36	79.2 Å²	79.2	23%	0.234	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	130.5	170.8	30.8	-32.6	0	0	0	110.6	E355 F356 V385	E355-P383 CarbonylContact O-C 3.34Å; E355-P383 WeakPolarHBondContact O-CA 3.27Å; F356-P383 HydrophobicContact CD1-CB 4.13Å; F356-P383 HydrophobicContact CE1-CB 3.94Å; P383-V385 HydrophobicContact CB-CG2 4Å; P383-V385 HydrophobicContact CG-CG2 4.39Å; P383-V385 PolarHBondContact O-N 2.87Å
384	N	71.3	Confident	65.9	Low	79 Å²	79	81.3 Å²	81.3	42%	0.422	41%	0.411	S	S	.	.			trans	-76.4	61.8	170.9	-64.3	-15.8	0	0	0	109.7	L354 E355 S357 T386	L354-N384 PolarHBondContact O-ND2 3.37Å; E355-N384 PolarHBondContact O-N 3.49Å; S357-N384 VanDerWaalsContact CB-OD1 3.23Å; S357-N384 WeakPolarHBondContact CB-OD1 3.26Å; S357-N384 PolarHBondContact OG-OD1 2.81Å; N384-T386 PolarHBondContact O-N 2.92Å
385	V	61.1	Low	64.5	Low	90 Å²	90	86 Å²	86	55%	0.545	44%	0.444	S	S	.	.			trans	-81.8	116.5	172.7	-171	0	0	0	0	108.5	P383 C387	P383-V385 HydrophobicContact CB-CG2 4Å; P383-V385 HydrophobicContact CG-CG2 4.39Å; P383-V385 PolarHBondContact O-N 2.87Å; V385-C387 PolarHBondContact O-N 3.22Å
386	T	50.1	Low	62.8	Low	128 Å²	128	88.1 Å²	88.1	79%	0.785	46%	0.458	S	S	*	.			trans	-69.7	101.7	159.2	45.4	0	0	0	0	107.6	N384 K388	N384-T386 PolarHBondContact O-N 2.92Å; T386-K388 PolarHBondContact O-N 3.04Å; T386-K388 VanDerWaalsContact O-N 3.1Å
387	C	45.5	Very low	60.7	Low	54 Å²	54	89.5 Å²	89.5	37%	0.365	47%	0.467	S	S	.	.			trans	-58.8	117.8	171.2	-76	0	0	0	0	107.9	V385 E389 C396	V385-C387 PolarHBondContact O-N 3.22Å; C387-E389 PolarHBondContact O-N 2.82Å; C387-C396 HydrophobicContact CB-CB 4.25Å; C387-C396 WeakPolarHBondContact CB-SG 3.45Å; C387-C396 WeakPolarHBondContact SG-CB 3.48Å; C387-C396 CovalentContact SG-SG 2.06Å; C387-C396 PolarHBondContact SG-SG 3.29Å
388	K	45.6	Very low	58.8	Low	179 Å²	179	96 Å²	96	78%	0.778	50%	0.497	S	S	*	.			trans	-77.1	105.5	166.3	-78	-174.9	176.1	-179.1	0	106.8	T386 S390	T386-K388 PolarHBondContact O-N 3.04Å; T386-K388 VanDerWaalsContact O-N 3.1Å; K388-S390 PolarHBondContact O-N 3.31Å
389	E	42.2	Very low	56.9	Low	165 Å²	165	103.7 Å²	103.7	77%	0.771	54%	0.538	S	S	*	.			trans	-65.4	100	161.8	-69	-171.5	148.6	0	0	107.3	C387	C387-E389 PolarHBondContact O-N 2.82Å
390	S	41.2	Very low	54.9	Low	72 Å²	72	107.7 Å²	107.7	50%	0.503	56%	0.559	S	S	.	*	B	Isolated β-bridge	trans	-88.8	141.9	161.9	85.8	0	0	0	0	107.6	K388 F392 M393	K388-S390 PolarHBondContact O-N 3.31Å; S390-F392 PolarHBondContact O-N 2.96Å; S390-M393 PolarHBondContact O-N 2.89Å
391	L	47.5	Very low	53.5	Low	167 Å²	167	111 Å²	111	87%	0.874	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.6	-11	-173.2	-107.8	105.2	0	0	0	115.2
392	F	48.8	Very low	52.4	Low	189 Å²	189	114.6 Å²	114.6	83%	0.829	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124	-5.3	-173.9	-73.3	-80.4	0	0	0	116	S390	S390-F392 PolarHBondContact O-N 2.96Å
393	M	37.2	Very low	52.1	Low	145 Å²	145	110.9 Å²	110.9	71%	0.714	57%	0.574	S	S	*	*	B	Isolated β-bridge	trans	-153.7	118.4	167.2	-77.9	-161.5	171.5	0	0	110.2	S390 S395	S390-M393 PolarHBondContact O-N 2.89Å; M393-S395 PolarHBondContact O-N 2.9Å
394	K	37.2	Very low	52.5	Low	185 Å²	185	109.2 Å²	109.2	80%	0.804	56%	0.563	S	S	*	*			trans	-64.7	86.4	156.7	-80.5	-174.9	174.2	-178.1	0	107.3	C396	K394-C396 PolarHBondContact O-N 3.3Å; K394-C396 VanDerWaalsContact O-N 3.16Å
395	S	44.8	Very low	53.3	Low	97 Å²	97	106.3 Å²	106.3	68%	0.678	55%	0.546	S	S	*	.			trans	-76.9	7.8	-178	69.1	0	0	0	0	113.9	M393	M393-S395 PolarHBondContact O-N 2.9Å
396	C	50.3	Low	54.7	Low	47 Å²	47	102 Å²	102	32%	0.318	52%	0.52	S	S	.	.			trans	-103	93.4	175.4	-72.4	0	0	0	0	110.2	C387 K394 E398	C387-C396 HydrophobicContact CB-CB 4.25Å; C387-C396 WeakPolarHBondContact CB-SG 3.45Å; C387-C396 WeakPolarHBondContact SG-CB 3.48Å; C387-C396 CovalentContact SG-SG 2.06Å; C387-C396 PolarHBondContact SG-SG 3.29Å; K394-C396 PolarHBondContact O-N 3.3Å; K394-C396 VanDerWaalsContact O-N 3.16Å; C396-E398 PolarHBondContact O-N 2.86Å; C396-E398 VanDerWaalsContact O-N 3.16Å
397	D	44.4	Very low	56.6	Low	100 Å²	100	96.1 Å²	96.1	54%	0.535	48%	0.484	S	S	.	.			trans	-76	96.7	165.4	-168.5	3	0	0	0	108.6	N399 N400	D397-N399 PolarHBondContact O-N 3.5Å; D397-N400 HydrophobicContact CB-CB 4.11Å; D397-N400 PolarHBondContact O-N 3.27Å
398	E	48.3	Very low	58.8	Low	137 Å²	137	93.7 Å²	93.7	64%	0.64	47%	0.467	S	S	*	.	G	3₁₀ helix	trans	-58.1	-31.1	-177.1	-71	-160.7	129.8	0	0	112.7	C396 N400 R401	C396-E398 PolarHBondContact O-N 2.86Å; C396-E398 VanDerWaalsContact O-N 3.16Å; E398-N400 PolarHBondContact O-N 3.2Å; E398-R401 PolarHBondContact O-N 3.16Å; E398-R401 IonicContact OE1-NH1 3.71Å; E398-R401 PolarHBondContact OE1-NH1 3.18Å
399	N	48.9	Very low	60.7	Low	162 Å²	162	86.8 Å²	86.8	87%	0.866	44%	0.439	S	S	*	.	G	3₁₀ helix	trans	-70.5	-16.2	177.8	-79.3	-20.5	0	0	0	113.2	D397	D397-N399 PolarHBondContact O-N 3.5Å
400	N	49.9	Very low	62.8	Low	84 Å²	84	79 Å²	79	45%	0.449	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-105.5	10.6	-178.4	-142.3	5.3	0	0	0	112.9	D397 E398 M402 K429	D397-N400 HydrophobicContact CB-CB 4.11Å; D397-N400 PolarHBondContact O-N 3.27Å; E398-N400 PolarHBondContact O-N 3.2Å; N400-M402 PolarHBondContact O-N 3.43Å; N400-K429 WeakPolarHBondContact OD1-CE 3.37Å; N400-K429 PolarHBondContact OD1-NZ 2.79Å
401	R	59.6	Low	64.8	Low	115 Å²	115	76.9 Å²	76.9	43%	0.434	39%	0.385	S	S	.	.			trans	-63.1	107.9	177.5	-93.8	-177.6	171.3	141.8	-2.6	110.6	E398 V403	E398-R401 PolarHBondContact O-N 3.16Å; E398-R401 IonicContact OE1-NH1 3.71Å; E398-R401 PolarHBondContact OE1-NH1 3.18Å; R401-V403 PolarHBondContact O-N 3.41Å
402	M	66.2	Low	66.4	Low	75 Å²	75	70.2 Å²	70.2	37%	0.369	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-55	127.4	165.5	-70.5	-74.6	-104.8	0	0	109.2	N400 M427 K429	N400-M402 PolarHBondContact O-N 3.43Å; M402-M427 HydrophobicContact CB-CB 4.38Å; M402-M427 HydrophobicContact CB-CE 3.59Å; M402-M427 HydrophobicContact CE-CB 4.27Å; M402-M427 HydrophobicContact CG-CE 4.31Å; M402-K429 HydrophobicContact SD-CB 4.47Å; M402-K429 HydrophobicContact SD-CD 4.4Å; M402-K429 HydrophobicContact SD-CG 3.39Å; M402-K429 WeakPolarHBondContact SD-CG 3.46Å
403	V	77.3	Confident	68	Low	23 Å²	23	65.9 Å²	65.9	14%	0.139	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	142.6	175.3	170.5	0	0	0	0	108.6	K380 R401 Y405 M427 S428	K380-V403 HydrophobicContact CD-CG1 3.56Å; K380-V403 HydrophobicContact CG-CG1 3.5Å; K380-V403 VanDerWaalsContact CG-CG1 3.5Å; R401-V403 PolarHBondContact O-N 3.41Å; V403-Y405 HydrophobicContact CB-CD2 4.49Å; V403-Y405 HydrophobicContact CB-CE2 3.75Å; V403-Y405 HydrophobicContact CG1-CD1 4.41Å; V403-Y405 HydrophobicContact CG1-CD2 4.01Å; V403-Y405 HydrophobicContact CG1-CE1 3.93Å; V403-Y405 HydrophobicContact CG1-CE2 3.48Å; V403-Y405 VanDerWaalsContact CG1-CE2 3.48Å; V403-Y405 HydrophobicContact CG1-CG 4.44Å; V403-Y405 VanDerWaalsContact CG1-CZ 3.43Å; V403-M427 CarbonylContact O-C 3.59Å; V403-M427 WeakPolarHBondContact O-CA 3.25Å; V403-S428 WeakPolarHBondContact CB-O 3.43Å; V403-S428 PolarHBondContact N-O 2.97Å; V403-S428 PolarHBondContact O-N 2.92Å; V403-S428 VanDerWaalsContact O-O 3.05Å
404	V	85.9	Confident	70.1	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	127.6	172.2	-172.8	0	0	0	0	109.7	F356 I381 Y426 M427 L452	F356-V404 HydrophobicContact CD1-CG2 4.32Å; F356-V404 HydrophobicContact CE1-CG2 3.87Å; I381-V404 HydrophobicContact CD1-CB 4.17Å; I381-V404 HydrophobicContact CD1-CG1 3.66Å; I381-V404 HydrophobicContact CG1-CB 3.46Å; I381-V404 VanDerWaalsContact CG1-CB 3.46Å; I381-V404 HydrophobicContact CG1-CG1 3.47Å; I381-V404 VanDerWaalsContact CG1-CG1 3.47Å; I381-V404 HydrophobicContact CG1-CG2 4.41Å; I381-V404 PolarHBondContact N-O 3.45Å; I381-V404 PolarHBondContact O-N 3.16Å; V404-Y426 WeakPolarHBondContact CA-O 3.32Å; V404-M427 HydrophobicContact CG2-CG 4.06Å; V404-L452 HydrophobicContact CB-CD1 4.37Å; V404-L452 HydrophobicContact CG1-CD1 3.49Å; V404-L452 VanDerWaalsContact CG1-CD1 3.49Å; V404-L452 HydrophobicContact CG2-CD1 3.94Å
405	Y	88.3	Confident	72.3	Confident	19 Å²	19	60.5 Å²	60.5	8%	0.075	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	134.7	174.8	-62.9	-85.2	0	0	0	108.7	I362 H378 V403 C425 Y426 M431	I362-Y405 HydrophobicContact CD1-CD1 3.66Å; I362-Y405 HydrophobicContact CD1-CE1 3.77Å; H378-Y405 AromaticContact NE2-CD1 3.7Å; V403-Y405 HydrophobicContact CB-CD2 4.49Å; V403-Y405 HydrophobicContact CB-CE2 3.75Å; V403-Y405 HydrophobicContact CG1-CD1 4.41Å; V403-Y405 HydrophobicContact CG1-CD2 4.01Å; V403-Y405 HydrophobicContact CG1-CE1 3.93Å; V403-Y405 HydrophobicContact CG1-CE2 3.48Å; V403-Y405 VanDerWaalsContact CG1-CE2 3.48Å; V403-Y405 HydrophobicContact CG1-CG 4.44Å; V403-Y405 VanDerWaalsContact CG1-CZ 3.43Å; Y405-C425 CarbonylContact O-C 3.6Å; Y405-C425 VanDerWaalsContact O-CA 3.26Å; Y405-C425 WeakPolarHBondContact O-CA 3.35Å; Y405-Y426 HydrophobicContact CD2-CE2 4.01Å; Y405-Y426 HydrophobicContact CG-CE2 4.34Å; Y405-Y426 PolarHBondContact N-O 3.36Å; Y405-Y426 PolarHBondContact O-N 2.94Å; Y405-M431 HydrophobicContact CE1-CB 4.19Å; Y405-M431 HydrophobicContact CE1-CG 4.25Å
406	C	90	Very high	74.2	Confident	0 Å²	0	61 Å²	61	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	131.3	176.5	-71.2	0	0	0	0	110.3	L346 H378 M379 I381 V424 C425	L346-C406 HydrophobicContact CD1-CB 4.35Å; H378-C406 WeakPolarHBondContact CA-O 3.26Å; H378-C406 PolarHBondContact ND1-O 3.05Å; M379-C406 HydrophobicContact CG-CB 3.91Å; M379-C406 PolarHBondContact N-O 2.76Å; M379-C406 PolarHBondContact O-N 2.97Å; I381-C406 VanDerWaalsContact CD1-SG 3.52Å; C406-V424 CarbonylContact C-O 3.52Å; C406-V424 VanDerWaalsContact CA-O 3.22Å; C406-V424 WeakPolarHBondContact CA-O 3.33Å; C406-C425 HydrophobicContact CB-CB 4.2Å; C406-C425 WeakPolarHBondContact CB-SG 3.28Å; C406-C425 WeakPolarHBondContact SG-CB 3.33Å; C406-C425 CovalentContact SG-SG 2.04Å; C406-C425 PolarHBondContact SG-SG 3.48Å
407	S	90.3	Very high	75.8	Confident	4 Å²	4	61 Å²	61	3%	0.028	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	139.7	172.2	-57.4	0	0	0	0	109.4	L377 H378 A423 V424 E439	L377-S407 CarbonylContact O-C 3.57Å; L377-S407 WeakPolarHBondContact O-CA 2.87Å; H378-S407 PolarHBondContact CE1-OG 2.89Å; H378-S407 PolarHBondContact ND1-OG 3.28Å; S407-A423 CarbonylContact O-C 3.52Å; S407-A423 VanDerWaalsContact O-CA 3.24Å; S407-A423 WeakPolarHBondContact O-CA 3.39Å; S407-V424 PolarHBondContact N-O 3.22Å; S407-V424 PolarHBondContact O-N 2.71Å; S407-E439 WeakPolarHBondContact OG-CB 3.37Å
408	W	90.4	Very high	77.5	Confident	2 Å²	2	59.8 Å²	59.8	1%	0.008	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	139.8	-179	177.3	84.7	0	0	0	110.4	V342 L346 A375 I376 L377 G410 L412 H417 K419	V342-W408 HydrophobicContact CB-CD2 4.49Å; V342-W408 HydrophobicContact CG1-CB 3.84Å; V342-W408 HydrophobicContact CG1-CD2 3.54Å; V342-W408 HydrophobicContact CG1-CE3 4.06Å; V342-W408 HydrophobicContact CG1-CG 3.42Å; V342-W408 VanDerWaalsContact CG1-CG 3.42Å; V342-W408 HydrophobicContact CG2-CD2 4.09Å; V342-W408 HydrophobicContact CG2-CE3 4.02Å; V342-W408 HydrophobicContact CG2-CH2 4.14Å; V342-W408 HydrophobicContact CG2-CZ2 4.22Å; V342-W408 HydrophobicContact CG2-CZ3 4.05Å; L346-W408 HydrophobicContact CD1-CB 4.28Å; A375-W408 HydrophobicContact CB-CZ3 4.27Å; I376-W408 WeakPolarHBondContact CA-O 3.49Å; L377-W408 HydrophobicContact CB-CE3 4.31Å; L377-W408 HydrophobicContact CD1-CE3 3.9Å; L377-W408 HydrophobicContact CD1-CZ3 4.18Å; L377-W408 HydrophobicContact CG-CE3 4.11Å; L377-W408 HydrophobicContact CG-CZ3 4.49Å; L377-W408 PolarHBondContact N-O 3.29Å; L377-W408 PolarHBondContact O-N 2.92Å; W408-G410 VanDerWaalsContact CH2-CA 3.43Å; W408-G410 VanDerWaalsContact CZ2-CA 3.48Å; W408-L412 HydrophobicContact CH2-CD2 3.57Å; W408-L412 HydrophobicContact CH2-CG 3.96Å; W408-L412 HydrophobicContact CZ3-CD2 3.85Å; W408-L412 HydrophobicContact CZ3-CG 4.06Å; W408-H417 AromaticContact CE2-ND1 3.79Å; W408-H417 AromaticContact CZ2-CE1 3.76Å; W408-H417 AromaticContact CZ2-ND1 3.32Å; W408-H417 VanDerWaalsContact CZ2-ND1 3.32Å; W408-H417 WeakPolarHBondContact CZ2-ND1 3.48Å; W408-H417 AromaticContact NE1-CE1 3.93Å; W408-H417 AromaticContact NE1-ND1 3.89Å; W408-K419 WeakPolarHBondContact CZ2-O 3.18Å
409	I	87.2	Confident	79.1	Confident	35 Å²	35	57 Å²	57	18%	0.179	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	134.3	172.2	-175.2	167.8	0	0	0	109.2	I369 A375 I376 I421 G422 L438 P457	I369-I409 HydrophobicContact CD1-CD1 4.05Å; I369-I409 HydrophobicContact CD1-CG1 3.9Å; A375-I409 WeakPolarHBondContact O-CA 3.07Å; I376-I409 HydrophobicContact CD1-CD1 4.12Å; I376-I409 HydrophobicContact CG1-CB 4.42Å; I376-I409 HydrophobicContact CG1-CD1 3.95Å; I376-I409 HydrophobicContact CG1-CG1 3.96Å; I409-I421 HydrophobicContact CG2-CB 4.29Å; I409-I421 HydrophobicContact CG2-CG2 4.49Å; I409-I421 PolarHBondContact O-N 2.91Å; I409-G422 PolarHBondContact N-O 3.22Å; I409-G422 PolarHBondContact O-N 2.94Å; I409-L438 HydrophobicContact CG2-CD1 3.94Å; I409-L438 HydrophobicContact CG2-CG 4.43Å; I409-P457 HydrophobicContact CG2-CG 4.34Å
410	G	85.1	Confident	80.6	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.4	-163	179.4	0	0	0	0	0	113.5	G374 A375 W408 K419	G374-G410 CarbonylContact C-O 3.49Å; G374-G410 WeakPolarHBondContact CA-O 3.44Å; A375-G410 PolarHBondContact N-O 3.39Å; A375-G410 PolarHBondContact O-N 2.92Å; A375-G410 VanDerWaalsContact O-N 3.1Å; W408-G410 VanDerWaalsContact CH2-CA 3.43Å; W408-G410 VanDerWaalsContact CZ2-CA 3.48Å; G410-K419 CarbonylContact C-O 3.54Å; G410-K419 VanDerWaalsContact CA-O 3.27Å; G410-K419 WeakPolarHBondContact CA-O 3.43Å
411	I	83.3	Confident	82	Confident	29 Å²	29	48.3 Å²	48.3	15%	0.149	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	133.7	-179.6	-55.6	176.8	0	0	0	108.6	K418 K419 I421	I411-K418 HydrophobicContact CG2-CB 4.48Å; I411-K418 HydrophobicContact CG2-CD 4.33Å; I411-K418 WeakPolarHBondContact O-CB 3.21Å; I411-K418 PolarHBondContact O-N 3.18Å; I411-K419 HydrophobicContact CB-CB 4.19Å; I411-K419 HydrophobicContact CD1-CB 4.46Å; I411-K419 HydrophobicContact CD1-CD 4.32Å; I411-K419 HydrophobicContact CG1-CB 4.48Å; I411-K419 PolarHBondContact N-O 2.7Å; I411-K419 PolarHBondContact O-N 3.46Å; I411-I421 HydrophobicContact CG1-CD1 4.46Å
412	L	81.1	Confident	83.1	Confident	26 Å²	26	42.9 Å²	42.9	14%	0.136	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	146.3	174	-62.3	176.2	0	0	0	109.9	W330 A338 V342 A375 W408 K416	W330-L412 HydrophobicContact CH2-CD1 3.64Å; W330-L412 HydrophobicContact CZ2-CD1 3.76Å; A338-L412 HydrophobicContact CB-CD1 3.84Å; V342-L412 HydrophobicContact CG2-CD2 3.79Å; A375-L412 HydrophobicContact CB-CD1 3.52Å; A375-L412 HydrophobicContact CB-CG 3.97Å; W408-L412 HydrophobicContact CH2-CD2 3.57Å; W408-L412 HydrophobicContact CH2-CG 3.96Å; W408-L412 HydrophobicContact CZ3-CD2 3.85Å; W408-L412 HydrophobicContact CZ3-CG 4.06Å; L412-K416 WeakPolarHBondContact CA-O 3.38Å
413	E	82	Confident	84.2	Confident	99 Å²	99	39.3 Å²	39.3	46%	0.463	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	116.7	170.1	-179.8	171.9	-100.2	0	0	108.3	E415 K416 K418	E413-E415 PolarHBondContact O-N 3.49Å; E413-K416 PolarHBondContact N-O 3.5Å; E413-K416 WeakPolarHBondContact O-CB 3.43Å; E413-K416 PolarHBondContact O-N 2.83Å; E413-K418 HydrophobicContact CB-CB 4.06Å; E413-K418 HydrophobicContact CB-CD 3.82Å; E413-K418 HydrophobicContact CG-CD 4.48Å; E413-K418 IonicContact OE1-NZ 2.92Å; E413-K418 PolarHBondContact OE1-NZ 3.25Å
414	K	81.8	Confident	84.7	Confident	179 Å²	179	38.2 Å²	38.2	78%	0.778	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.2	48.8	-173.8	-58	178.4	-178.7	175.9	0	111.9	K416	K414-K416 PolarHBondContact O-N 2.78Å
415	E	83.4	Confident	84.8	Confident	38 Å²	38	38.2 Å²	38.2	18%	0.178	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	8.4	-179.7	-70.4	63.2	-144.6	0	0	114.7	K334 A338 N341 K366 E413	K334-E415 HydrophobicContact CB-CG 3.94Å; K334-E415 VanDerWaalsContact O-CG 3.32Å; K334-E415 WeakPolarHBondContact O-CG 3.35Å; A338-E415 VanDerWaalsContact CA-O 3.29Å; A338-E415 WeakPolarHBondContact CA-O 3.15Å; A338-E415 HydrophobicContact CB-CB 4.02Å; A338-E415 HydrophobicContact CB-CG 4.19Å; N341-E415 PolarHBondContact ND2-O 3.16Å; K366-E415 IonicContact NZ-OE1 2.68Å; K366-E415 PolarHBondContact NZ-OE1 3.17Å; E413-E415 PolarHBondContact O-N 3.49Å
416	K	85.1	Confident	84.6	Confident	108 Å²	108	37.4 Å²	37.4	47%	0.47	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	147.6	171.1	-66.7	-178.6	179.4	178.7	0	110.3	L412 E413 K414 K418	L412-K416 WeakPolarHBondContact CA-O 3.38Å; E413-K416 PolarHBondContact N-O 3.5Å; E413-K416 WeakPolarHBondContact O-CB 3.43Å; E413-K416 PolarHBondContact O-N 2.83Å; K414-K416 PolarHBondContact O-N 2.78Å; K416-K418 PolarHBondContact O-N 3.3Å
417	H	82.6	Confident	84.2	Confident	46 Å²	46	41.2 Å²	41.2	21%	0.213	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	119.7	174.3	175.2	74.6	0	0	0	110.6	V342 W408 M420	V342-H417 HydrophobicContact CG2-CB 4.35Å; W408-H417 AromaticContact CE2-ND1 3.79Å; W408-H417 AromaticContact CZ2-CE1 3.76Å; W408-H417 AromaticContact CZ2-ND1 3.32Å; W408-H417 VanDerWaalsContact CZ2-ND1 3.32Å; W408-H417 WeakPolarHBondContact CZ2-ND1 3.48Å; W408-H417 AromaticContact NE1-CE1 3.93Å; W408-H417 AromaticContact NE1-ND1 3.89Å; H417-M420 PolarHBondContact CE1-N 2.8Å; H417-M420 VanDerWaalsContact CE1-N 3.31Å
418	K	81.9	Confident	83.5	Confident	75 Å²	75	41.4 Å²	41.4	33%	0.326	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	-54.8	174	178.7	167.1	-178.4	166.7	0	111.9	I411 E413 K416	I411-K418 HydrophobicContact CG2-CB 4.48Å; I411-K418 HydrophobicContact CG2-CD 4.33Å; I411-K418 WeakPolarHBondContact O-CB 3.21Å; I411-K418 PolarHBondContact O-N 3.18Å; E413-K418 HydrophobicContact CB-CB 4.06Å; E413-K418 HydrophobicContact CB-CD 3.82Å; E413-K418 HydrophobicContact CG-CD 4.48Å; E413-K418 IonicContact OE1-NZ 2.92Å; E413-K418 PolarHBondContact OE1-NZ 3.25Å; K416-K418 PolarHBondContact O-N 3.3Å
419	K	80.3	Confident	82.5	Confident	78 Å²	78	47.4 Å²	47.4	34%	0.339	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	136.7	-178.8	-175.8	177.7	178.6	-179.6	0	110.4	W408 G410 I411	W408-K419 WeakPolarHBondContact CZ2-O 3.18Å; G410-K419 CarbonylContact C-O 3.54Å; G410-K419 VanDerWaalsContact CA-O 3.27Å; G410-K419 WeakPolarHBondContact CA-O 3.43Å; I411-K419 HydrophobicContact CB-CB 4.19Å; I411-K419 HydrophobicContact CD1-CB 4.46Å; I411-K419 HydrophobicContact CD1-CD 4.32Å; I411-K419 HydrophobicContact CG1-CB 4.48Å; I411-K419 PolarHBondContact N-O 2.7Å; I411-K419 PolarHBondContact O-N 3.46Å
420	M	82	Confident	81.5	Confident	34 Å²	34	49.5 Å²	49.5	17%	0.167	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	130.5	171.6	-177.8	147.1	38.4	0	0	108.7	L346 L349 H417 A423 Y455	L346-M420 HydrophobicContact CD2-SD 4.01Å; L349-M420 HydrophobicContact CD1-CE 3.33Å; L349-M420 HydrophobicContact CD1-SD 4.45Å; H417-M420 PolarHBondContact CE1-N 2.8Å; H417-M420 VanDerWaalsContact CE1-N 3.31Å; M420-A423 HydrophobicContact SD-CB 3.69Å; M420-Y455 HydrophobicContact CG-CD1 4.15Å; M420-Y455 HydrophobicContact CG-CE1 4.26Å; M420-Y455 HydrophobicContact SD-CD1 4.5Å
421	I	78.4	Confident	80.3	Confident	30 Å²	30	53.5 Å²	53.5	15%	0.154	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	-38.2	170.6	-61.6	166.7	0	0	0	108.8	I369 I409 I411 P457	I369-I421 HydrophobicContact CD1-CD1 4.17Å; I369-I421 HydrophobicContact CG2-CD1 3.96Å; I409-I421 HydrophobicContact CG2-CB 4.29Å; I409-I421 HydrophobicContact CG2-CG2 4.49Å; I409-I421 PolarHBondContact O-N 2.91Å; I411-I421 HydrophobicContact CG1-CD1 4.46Å; I421-P457 HydrophobicContact CG2-CB 3.68Å; I421-P457 WeakPolarHBondContact O-CA 3.44Å; I421-P457 WeakPolarHBondContact O-CB 3.45Å
422	G	83.7	Confident	79	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.8	156.4	176.4	0	0	0	0	0	113.7	I409 Y455	I409-G422 PolarHBondContact N-O 3.22Å; I409-G422 PolarHBondContact O-N 2.94Å; G422-Y455 CarbonylContact C-O 3.54Å; G422-Y455 WeakPolarHBondContact CA-O 3.33Å
423	A	88.6	Confident	77.5	Confident	0 Å²	0	61 Å²	61	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	147.7	174.8	0	0	0	0	0	112.2	L346 S407 M420 L453 Y455	L346-A423 HydrophobicContact CD2-CB 3.61Å; S407-A423 CarbonylContact O-C 3.52Å; S407-A423 VanDerWaalsContact O-CA 3.24Å; S407-A423 WeakPolarHBondContact O-CA 3.39Å; M420-A423 HydrophobicContact SD-CB 3.69Å; A423-L453 HydrophobicContact CB-CD2 3.86Å; A423-Y455 PolarHBondContact N-O 2.91Å; A423-Y455 CarbonylContact O-C 3.57Å; A423-Y455 WeakPolarHBondContact O-CA 3.39Å; A423-Y455 PolarHBondContact O-N 3.5Å
424	V	87.5	Confident	75.9	Confident	1 Å²	1	61.2 Å²	61.2	1%	0.006	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	138.9	169.5	63.8	0	0	0	0	110.2	C406 S407 Y426 L438 I440 F451 L453 Y454	C406-V424 CarbonylContact C-O 3.52Å; C406-V424 VanDerWaalsContact CA-O 3.22Å; C406-V424 WeakPolarHBondContact CA-O 3.33Å; S407-V424 PolarHBondContact N-O 3.22Å; S407-V424 PolarHBondContact O-N 2.71Å; V424-Y426 HydrophobicContact CG2-CD1 4.27Å; V424-L438 HydrophobicContact CB-CD2 4.24Å; V424-L438 HydrophobicContact CG1-CD2 3.57Å; V424-I440 HydrophobicContact CG1-CG1 4.14Å; V424-I440 HydrophobicContact CG2-CG1 4.1Å; V424-F451 HydrophobicContact CG2-CD1 3.43Å; V424-F451 VanDerWaalsContact CG2-CD1 3.43Å; V424-F451 HydrophobicContact CG2-CE1 3.61Å; V424-F451 HydrophobicContact CG2-CG 4.47Å; V424-L453 CarbonylContact C-O 3.51Å; V424-L453 WeakPolarHBondContact CA-O 3.42Å; V424-Y454 HydrophobicContact CB-CD2 4.28Å; V424-Y454 HydrophobicContact CG2-CD2 3.72Å; V424-Y454 HydrophobicContact CG2-CE2 4.28Å
425	C	87.7	Confident	74.2	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	128.3	170.7	-66.1	0	0	0	0	110.1	Y405 C406 L452 L453	Y405-C425 CarbonylContact O-C 3.6Å; Y405-C425 VanDerWaalsContact O-CA 3.26Å; Y405-C425 WeakPolarHBondContact O-CA 3.35Å; C406-C425 HydrophobicContact CB-CB 4.2Å; C406-C425 WeakPolarHBondContact CB-SG 3.28Å; C406-C425 WeakPolarHBondContact SG-CB 3.33Å; C406-C425 CovalentContact SG-SG 2.04Å; C406-C425 PolarHBondContact SG-SG 3.48Å; C425-L452 HydrophobicContact CB-CB 4.08Å; C425-L452 PolarHBondContact O-N 2.92Å; C425-L453 HydrophobicContact CB-CB 3.93Å; C425-L453 PolarHBondContact N-O 2.97Å; C425-L453 PolarHBondContact O-N 3.1Å
426	Y	84	Confident	72.3	Confident	1 Å²	1	60.6 Å²	60.6	0%	0.004	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	155.1	-178.3	61.2	-87.3	0	0	0	112.1	V404 Y405 V424 E439 P441 V444	V404-Y426 WeakPolarHBondContact CA-O 3.32Å; Y405-Y426 HydrophobicContact CD2-CE2 4.01Å; Y405-Y426 HydrophobicContact CG-CE2 4.34Å; Y405-Y426 PolarHBondContact N-O 3.36Å; Y405-Y426 PolarHBondContact O-N 2.94Å; V424-Y426 HydrophobicContact CG2-CD1 4.27Å; Y426-E439 WeakPolarHBondContact CE1-O 3.44Å; Y426-E439 PolarHBondContact OH-O 2.97Å; Y426-P441 HydrophobicContact CE2-CG 3.87Å; Y426-P441 VanDerWaalsContact OH-CD 3.29Å; Y426-P441 WeakPolarHBondContact OH-CD 3.49Å; Y426-P441 WeakPolarHBondContact OH-CG 3.32Å; Y426-V444 HydrophobicContact CD2-CB 4.44Å; Y426-V444 HydrophobicContact CD2-CG1 4.19Å; Y426-V444 HydrophobicContact CD2-CG2 3.77Å; Y426-V444 HydrophobicContact CE2-CG2 4.09Å; Y426-V444 HydrophobicContact CG-CG2 4.04Å
427	M	81.5	Confident	71	Confident	80 Å²	80	58.1 Å²	58.1	39%	0.394	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	130.7	175.4	-58.1	-175	65.3	0	0	110.1	M402 V403 V404 L452	M402-M427 HydrophobicContact CB-CB 4.38Å; M402-M427 HydrophobicContact CB-CE 3.59Å; M402-M427 HydrophobicContact CE-CB 4.27Å; M402-M427 HydrophobicContact CG-CE 4.31Å; V403-M427 CarbonylContact O-C 3.59Å; V403-M427 WeakPolarHBondContact O-CA 3.25Å; V404-M427 HydrophobicContact CG2-CG 4.06Å; M427-L452 HydrophobicContact CG-CD1 3.97Å; M427-L452 HydrophobicContact CG-CG 4.3Å
428	S	76.4	Confident	69.8	Low	9 Å²	9	57.3 Å²	57.3	6%	0.063	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	150	174.3	-164.1	0	0	0	0	112	V403 T430 Q443	V403-S428 WeakPolarHBondContact CB-O 3.43Å; V403-S428 PolarHBondContact N-O 2.97Å; V403-S428 PolarHBondContact O-N 2.92Å; V403-S428 VanDerWaalsContact O-O 3.05Å; S428-T430 PolarHBondContact OG-O 2.8Å; S428-T430 VanDerWaalsContact OG-O 3.06Å; S428-Q443 PolarHBondContact OG-NE2 2.71Å
429	K	69.2	Low	68.7	Low	127 Å²	127	55.3 Å²	55.3	55%	0.552	27%	0.265	S	S	*	.	S	Bend	trans	-74.4	-34.5	173.8	-60.8	-166.9	-175.4	-171.3	0	112	N400 M402	N400-K429 WeakPolarHBondContact OD1-CE 3.37Å; N400-K429 PolarHBondContact OD1-NZ 2.79Å; M402-K429 HydrophobicContact SD-CB 4.47Å; M402-K429 HydrophobicContact SD-CD 4.4Å; M402-K429 HydrophobicContact SD-CG 3.39Å; M402-K429 WeakPolarHBondContact SD-CG 3.46Å
430	T	66.3	Low	68.2	Low	80 Å²	80	52.4 Å²	52.4	49%	0.491	25%	0.253	S	S	.	.	S	Bend	trans	-130	142.9	-174.3	54	0	0	0	0	110.7	S428 S432 Q443	S428-T430 PolarHBondContact OG-O 2.8Å; S428-T430 VanDerWaalsContact OG-O 3.06Å; T430-S432 PolarHBondContact O-N 3.2Å; T430-Q443 PolarHBondContact O-NE2 2.87Å; T430-Q443 VanDerWaalsContact O-NE2 3.12Å
431	M	60.2	Low	67.5	Low	84 Å²	84	50.8 Å²	50.8	41%	0.414	25%	0.245	S	C	.	.			trans	-75	122.5	167	-162.1	-179.1	80.2	0	0	107.5	I362 Y405 F435	I362-M431 HydrophobicContact CD1-SD 4.24Å; I362-M431 HydrophobicContact CG2-SD 4.04Å; Y405-M431 HydrophobicContact CE1-CB 4.19Å; Y405-M431 HydrophobicContact CE1-CG 4.25Å; M431-F435 HydrophobicContact CG-CZ 4.16Å
432	S	54.3	Low	67	Low	26 Å²	26	54.9 Å²	54.9	18%	0.182	26%	0.259	C	S	.	.			trans	-70.8	150.5	172.8	-174.5	0	0	0	0	109.8	T430 E434 F435	T430-S432 PolarHBondContact O-N 3.2Å; S432-E434 PolarHBondContact OG-N 3.18Å; S432-F435 WeakPolarHBondContact O-CE2 3.46Å; S432-F435 WeakPolarHBondContact O-CZ 3.04Å
433	Q	51.5	Low	66.4	Low	185 Å²	185	59.8 Å²	59.8	86%	0.864	28%	0.281	S	S	*	.	S	Bend	trans	-92.8	-13.1	174.3	-67.9	178.7	-11.3	0	0	112.3
434	E	47.6	Very low	65.5	Low	105 Å²	105	60.4 Å²	60.4	49%	0.491	29%	0.285	S	S	.	.			trans	-100.2	106.5	179.4	-71.2	-170.9	-176	0	0	110.3	S432 R442	S432-E434 PolarHBondContact OG-N 3.18Å; E434-R442 IonicContact OE2-CZ 2.78Å; E434-R442 IonicContact OE2-NH1 3.4Å; E434-R442 PolarHBondContact OE2-NH1 3.34Å
435	F	46	Very low	65	Low	66 Å²	66	61.6 Å²	61.6	29%	0.289	29%	0.293	S	S	.	.			trans	-116.9	136.5	173.9	-54.1	-75.8	0	0	0	109.6	M431 S432 E439 P441	M431-F435 HydrophobicContact CG-CZ 4.16Å; S432-F435 WeakPolarHBondContact O-CE2 3.46Å; S432-F435 WeakPolarHBondContact O-CZ 3.04Å; F435-E439 HydrophobicContact CB-CG 4.46Å; F435-E439 HydrophobicContact CD1-CB 3.51Å; F435-E439 HydrophobicContact CD1-CG 3.69Å; F435-E439 HydrophobicContact CE1-CB 3.64Å; F435-E439 HydrophobicContact CE1-CG 3.97Å; F435-E439 HydrophobicContact CG-CB 4.34Å; F435-E439 HydrophobicContact CG-CG 4.04Å; F435-P441 HydrophobicContact CE1-CG 4.3Å
436	H	44.3	Very low	64.4	Low	137 Å²	137	64.4 Å²	64.4	63%	0.634	31%	0.313	S	S	*	.	S	Bend	trans	-107.2	-24.6	171.6	-73.4	-73.6	0	0	0	112.4	R442	H436-R442 PolarHBondContact NE2-NH2 3.47Å
437	R	56.4	Low	63.6	Low	56 Å²	56	69.1 Å²	69.1	21%	0.211	33%	0.334	C	S	.	.	S	Bend	trans	-157.2	-164.3	-170.7	-64.1	-172.6	-178.6	167.8	-9.3	111	E439 T485 P590 E592	R437-E439 WeakPolarHBondContact O-CA 3.34Å; R437-E439 PolarHBondContact O-N 3.21Å; R437-T485 WeakPolarHBondContact CD-O 3.19Å; R437-T485 PolarHBondContact NH1-OG1 3.22Å; R437-P590 VanDerWaalsContact NH2-C 3.32Å; R437-P590 PolarHBondContact NH2-O 3.37Å; R437-E592 PolarHBondContact NH1-O 3.34Å; R437-E592 PolarHBondContact NH2-O 3.32Å
438	L	57.7	Low	63.1	Low	29 Å²	29	69.8 Å²	69.8	15%	0.152	35%	0.352	C	S	.	.	S	Bend	trans	-31.5	110.1	165.3	-122.7	153.1	0	0	0	107.5	I409 V424 I440 P457	I409-L438 HydrophobicContact CG2-CD1 3.94Å; I409-L438 HydrophobicContact CG2-CG 4.43Å; V424-L438 HydrophobicContact CB-CD2 4.24Å; V424-L438 HydrophobicContact CG1-CD2 3.57Å; L438-I440 VanDerWaalsContact C-N 3.25Å; L438-I440 VanDerWaalsContact O-CG1 3.31Å; L438-I440 WeakPolarHBondContact O-CG1 3.43Å; L438-I440 PolarHBondContact O-N 2.74Å; L438-P457 HydrophobicContact CD1-CG 3.54Å
439	E	59.7	Low	63	Low	33 Å²	33	70.9 Å²	70.9	15%	0.154	36%	0.358	C	S	.	.	S	Bend	trans	-61.1	84	-148.6	-66.1	-179.6	-172.5	0	0	112.1	H378 S407 Y426 F435 R437 P441	H378-E439 IonicContact CD2-OE2 2.75Å; H378-E439 PolarHBondContact CD2-OE2 3.35Å; H378-E439 IonicContact CE1-OE2 3.31Å; H378-E439 PolarHBondContact CE1-OE2 2.97Å; H378-E439 IonicContact CG-OE1 2.79Å; H378-E439 IonicContact CG-OE2 3.48Å; H378-E439 IonicContact ND1-OE2 2.67Å; H378-E439 PolarHBondContact ND1-OE2 2.78Å; H378-E439 IonicContact NE2-OE2 2.84Å; H378-E439 PolarHBondContact NE2-OE2 2.82Å; H378-E439 VanDerWaalsContact NE2-OE2 3.14Å; S407-E439 WeakPolarHBondContact OG-CB 3.37Å; Y426-E439 WeakPolarHBondContact CE1-O 3.44Å; Y426-E439 PolarHBondContact OH-O 2.97Å; F435-E439 HydrophobicContact CB-CG 4.46Å; F435-E439 HydrophobicContact CD1-CB 3.51Å; F435-E439 HydrophobicContact CD1-CG 3.69Å; F435-E439 HydrophobicContact CE1-CB 3.64Å; F435-E439 HydrophobicContact CE1-CG 3.97Å; F435-E439 HydrophobicContact CG-CB 4.34Å; F435-E439 HydrophobicContact CG-CG 4.04Å; R437-E439 WeakPolarHBondContact O-CA 3.34Å; R437-E439 PolarHBondContact O-N 3.21Å; E439-P441 VanDerWaalsContact O-CD 3.24Å; E439-P441 WeakPolarHBondContact O-CD 3.48Å
440	I	69	Low	63.3	Low	18 Å²	18	70.3 Å²	70.3	9%	0.092	36%	0.361	C	S	.	.			trans	-108.2	100.3	175	-61.5	158.3	0	0	0	104.9	V424 L438 V444 F451 Y454	V424-I440 HydrophobicContact CG1-CG1 4.14Å; V424-I440 HydrophobicContact CG2-CG1 4.1Å; L438-I440 VanDerWaalsContact C-N 3.25Å; L438-I440 VanDerWaalsContact O-CG1 3.31Å; L438-I440 WeakPolarHBondContact O-CG1 3.43Å; L438-I440 PolarHBondContact O-N 2.74Å; I440-V444 HydrophobicContact CG2-CG2 4.11Å; I440-F451 HydrophobicContact CG1-CE1 4.43Å; I440-F451 HydrophobicContact CG2-CE1 4.27Å; I440-F451 HydrophobicContact CG2-CZ 4.02Å; I440-Y454 HydrophobicContact CD1-CE2 3.56Å
441	P	67.8	Low	63.9	Low	0 Å²	0	66.8 Å²	66.8	0%	0	34%	0.339	C	S	.	.			trans	-53.6	143.3	172.7	-29	34.8	0	0	0	111.7	Y426 F435 E439 Q443 V444 S445	Y426-P441 HydrophobicContact CE2-CG 3.87Å; Y426-P441 VanDerWaalsContact OH-CD 3.29Å; Y426-P441 WeakPolarHBondContact OH-CD 3.49Å; Y426-P441 WeakPolarHBondContact OH-CG 3.32Å; F435-P441 HydrophobicContact CE1-CG 4.3Å; E439-P441 VanDerWaalsContact O-CD 3.24Å; E439-P441 WeakPolarHBondContact O-CD 3.48Å; P441-Q443 HydrophobicContact CB-CG 3.65Å; P441-Q443 PolarHBondContact O-N 3.38Å; P441-V444 HydrophobicContact CB-CG2 4Å; P441-V444 HydrophobicContact CG-CG2 4.11Å; P441-V444 CarbonylContact O-C 3.55Å; P441-V444 WeakPolarHBondContact O-CG2 3.16Å; P441-V444 PolarHBondContact O-N 3.01Å; P441-S445 PolarHBondContact O-N 2.76Å; P441-S445 VanDerWaalsContact O-N 3.07Å
442	R	68.4	Low	64.9	Low	116 Å²	116	63.9 Å²	63.9	44%	0.438	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-30.1	173.4	-75.5	-174.6	178.7	146.5	4.8	113.6	E434 H436 V444 S445	E434-R442 IonicContact OE2-CZ 2.78Å; E434-R442 IonicContact OE2-NH1 3.4Å; E434-R442 PolarHBondContact OE2-NH1 3.34Å; H436-R442 PolarHBondContact NE2-NH2 3.47Å; R442-V444 VanDerWaalsContact C-N 3.29Å; R442-V444 PolarHBondContact O-N 2.66Å; R442-S445 PolarHBondContact O-OG 2.91Å
443	Q	69.2	Low	66.4	Low	102 Å²	102	63.6 Å²	63.6	48%	0.477	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-21.5	178.2	57.5	-174.5	13.2	0	0	114.4	S428 T430 P441	S428-Q443 PolarHBondContact OG-NE2 2.71Å; T430-Q443 PolarHBondContact O-NE2 2.87Å; T430-Q443 VanDerWaalsContact O-NE2 3.12Å; P441-Q443 HydrophobicContact CB-CG 3.65Å; P441-Q443 PolarHBondContact O-N 3.38Å
444	V	71.3	Confident	67.9	Low	13 Å²	13	56.2 Å²	56.2	8%	0.079	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.6	7.6	177	-63.7	0	0	0	0	112.4	Y426 I440 P441 R442 S446 T449 F451	Y426-V444 HydrophobicContact CD2-CB 4.44Å; Y426-V444 HydrophobicContact CD2-CG1 4.19Å; Y426-V444 HydrophobicContact CD2-CG2 3.77Å; Y426-V444 HydrophobicContact CE2-CG2 4.09Å; Y426-V444 HydrophobicContact CG-CG2 4.04Å; I440-V444 HydrophobicContact CG2-CG2 4.11Å; P441-V444 HydrophobicContact CB-CG2 4Å; P441-V444 HydrophobicContact CG-CG2 4.11Å; P441-V444 CarbonylContact O-C 3.55Å; P441-V444 WeakPolarHBondContact O-CG2 3.16Å; P441-V444 PolarHBondContact O-N 3.01Å; R442-V444 VanDerWaalsContact C-N 3.29Å; R442-V444 PolarHBondContact O-N 2.66Å; V444-S446 PolarHBondContact O-N 3.02Å; V444-T449 HydrophobicContact CB-CG2 4.11Å; V444-T449 WeakPolarHBondContact O-CB 3.5Å; V444-T449 WeakPolarHBondContact O-CG2 3.19Å; V444-T449 PolarHBondContact O-OG1 3.43Å; V444-T449 VanDerWaalsContact O-OG1 3.14Å; V444-F451 VanDerWaalsContact O-CZ 3.22Å; V444-F451 WeakPolarHBondContact O-CZ 3.26Å
445	S	75.8	Confident	69.5	Low	26 Å²	26	54.1 Å²	54.1	18%	0.182	27%	0.274	C	S	.	.			trans	-75.9	-5.7	178.1	65.7	0	0	0	0	112.8	P441 R442 G483 R484	P441-S445 PolarHBondContact O-N 2.76Å; P441-S445 VanDerWaalsContact O-N 3.07Å; R442-S445 PolarHBondContact O-OG 2.91Å; S445-G483 CarbonylContact O-C 3.5Å; S445-G483 WeakPolarHBondContact O-CA 3.37Å; S445-R484 WeakPolarHBondContact CB-O 3.33Å; S445-R484 PolarHBondContact O-N 2.94Å
446	S	75	Confident	71.4	Confident	59 Å²	59	51.5 Å²	51.5	41%	0.413	26%	0.263	S	S	.	.	S	Bend	trans	-56.9	142.8	178.4	178	0	0	0	0	111.6	V444 A448 T449	V444-S446 PolarHBondContact O-N 3.02Å; S446-A448 PolarHBondContact O-N 3.19Å; S446-A448 PolarHBondContact OG-N 2.74Å; S446-T449 VanDerWaalsContact O-CB 3.23Å; S446-T449 WeakPolarHBondContact O-CB 3.34Å; S446-T449 PolarHBondContact O-N 3.49Å; S446-T449 PolarHBondContact O-OG1 3.32Å
447	K	68.7	Low	73.1	Confident	101 Å²	101	45.6 Å²	45.6	44%	0.439	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-29.9	173.4	-179.8	-177.1	172.6	-174.8	0	112.5	T449 V479	K447-T449 PolarHBondContact O-N 3.18Å; K447-V479 HydrophobicContact CD-CG1 3.91Å
448	A	70.4	Confident	74	Confident	93 Å²	93	43.6 Å²	43.6	77%	0.769	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-9	178.8	0	0	0	0	0	113	S446 D450	S446-A448 PolarHBondContact O-N 3.19Å; S446-A448 PolarHBondContact OG-N 2.74Å; A448-D450 PolarHBondContact O-N 3.44Å
449	T	74.1	Confident	74.8	Confident	33 Å²	33	45 Å²	45	20%	0.202	24%	0.243	C	C	.	.			trans	-68	121.7	177.4	-61.3	0	0	0	0	110.1	V444 S446 K447 F451	V444-T449 HydrophobicContact CB-CG2 4.11Å; V444-T449 WeakPolarHBondContact O-CB 3.5Å; V444-T449 WeakPolarHBondContact O-CG2 3.19Å; V444-T449 PolarHBondContact O-OG1 3.43Å; V444-T449 VanDerWaalsContact O-OG1 3.14Å; S446-T449 VanDerWaalsContact O-CB 3.23Å; S446-T449 WeakPolarHBondContact O-CB 3.34Å; S446-T449 PolarHBondContact O-N 3.49Å; S446-T449 PolarHBondContact O-OG1 3.32Å; K447-T449 PolarHBondContact O-N 3.18Å; T449-F451 HydrophobicContact CG2-CD2 4.02Å; T449-F451 HydrophobicContact CG2-CE1 4.45Å; T449-F451 HydrophobicContact CG2-CE2 3.74Å; T449-F451 HydrophobicContact CG2-CG 4.49Å; T449-F451 HydrophobicContact CG2-CZ 3.99Å; T449-F451 WeakPolarHBondContact O-CD2 3.05Å; T449-F451 PolarHBondContact O-N 2.67Å
450	D	75.4	Confident	75.1	Confident	114 Å²	114	44.5 Å²	44.5	61%	0.61	24%	0.241	S	C	*	.			trans	-83.8	102.6	170.6	-168.4	22.8	0	0	0	109.9	K351 A448	K351-D450 IonicContact NZ-OD1 3.81Å; K351-D450 PolarHBondContact NZ-OD1 2.97Å; K351-D450 IonicContact NZ-OD2 2.76Å; K351-D450 PolarHBondContact NZ-OD2 2.96Å; A448-D450 PolarHBondContact O-N 3.44Å
451	F	80.2	Confident	74.5	Confident	7 Å²	7	46 Å²	46	3%	0.031	25%	0.249	C	C	.	.			trans	-76.8	139.8	175.1	-70.2	-93.4	0	0	0	110	V424 I440 V444 T449 L453 Y454 R484	V424-F451 HydrophobicContact CG2-CD1 3.43Å; V424-F451 VanDerWaalsContact CG2-CD1 3.43Å; V424-F451 HydrophobicContact CG2-CE1 3.61Å; V424-F451 HydrophobicContact CG2-CG 4.47Å; I440-F451 HydrophobicContact CG1-CE1 4.43Å; I440-F451 HydrophobicContact CG2-CE1 4.27Å; I440-F451 HydrophobicContact CG2-CZ 4.02Å; V444-F451 VanDerWaalsContact O-CZ 3.22Å; V444-F451 WeakPolarHBondContact O-CZ 3.26Å; T449-F451 HydrophobicContact CG2-CD2 4.02Å; T449-F451 HydrophobicContact CG2-CE1 4.45Å; T449-F451 HydrophobicContact CG2-CE2 3.74Å; T449-F451 HydrophobicContact CG2-CG 4.49Å; T449-F451 HydrophobicContact CG2-CZ 3.99Å; T449-F451 WeakPolarHBondContact O-CD2 3.05Å; T449-F451 PolarHBondContact O-N 2.67Å; F451-L453 VanDerWaalsContact C-N 3.26Å; F451-L453 PolarHBondContact O-N 3.08Å; F451-Y454 HydrophobicContact CD1-CD2 4.2Å; F451-Y454 HydrophobicContact CD2-CD2 4.42Å; F451-Y454 HydrophobicContact CE1-CD2 4.39Å; F451-Y454 HydrophobicContact CG-CD2 4.21Å; F451-Y454 HydrophobicContact CG-CG 4.43Å; F451-R484 VanDerWaalsContact CD2-NH1 3.29Å; F451-R484 HydrophobicContact CE2-CG 4.46Å
452	L	80.8	Confident	74.1	Confident	23 Å²	23	49.7 Å²	49.7	12%	0.12	27%	0.266	C	S	.	.	S	Bend	trans	-68.1	-32.5	172.4	-64.9	177.7	0	0	0	111.4	I350 K351 F356 V404 C425 M427	I350-L452 HydrophobicContact CG2-CB 4.18Å; K351-L452 PolarHBondContact N-O 2.7Å; F356-L452 HydrophobicContact CE1-CD1 4Å; F356-L452 HydrophobicContact CZ-CD1 3.8Å; F356-L452 HydrophobicContact CZ-CD2 4.27Å; V404-L452 HydrophobicContact CB-CD1 4.37Å; V404-L452 HydrophobicContact CG1-CD1 3.49Å; V404-L452 VanDerWaalsContact CG1-CD1 3.49Å; V404-L452 HydrophobicContact CG2-CD1 3.94Å; C425-L452 HydrophobicContact CB-CB 4.08Å; C425-L452 PolarHBondContact O-N 2.92Å; M427-L452 HydrophobicContact CG-CD1 3.97Å; M427-L452 HydrophobicContact CG-CG 4.3Å
453	L	84.2	Confident	73.7	Confident	19 Å²	19	45.1 Å²	45.1	10%	0.099	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	133.4	170.9	175.7	61.7	0	0	0	108.6	L346 L349 I350 A423 V424 C425 F451	L346-L453 HydrophobicContact CD2-CD2 3.68Å; L349-L453 HydrophobicContact CB-CD1 3.81Å; L349-L453 HydrophobicContact CB-CD2 4.2Å; I350-L453 HydrophobicContact CG1-CB 4.15Å; A423-L453 HydrophobicContact CB-CD2 3.86Å; V424-L453 CarbonylContact C-O 3.51Å; V424-L453 WeakPolarHBondContact CA-O 3.42Å; C425-L453 HydrophobicContact CB-CB 3.93Å; C425-L453 PolarHBondContact N-O 2.97Å; C425-L453 PolarHBondContact O-N 3.1Å; F451-L453 VanDerWaalsContact C-N 3.26Å; F451-L453 PolarHBondContact O-N 3.08Å
454	Y	83.4	Confident	73.3	Confident	30 Å²	30	43 Å²	43	12%	0.118	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	101.5	173.1	-170	-108.9	0	0	0	110.3	V424 I440 F451 P456 R484 G486 D594	V424-Y454 HydrophobicContact CB-CD2 4.28Å; V424-Y454 HydrophobicContact CG2-CD2 3.72Å; V424-Y454 HydrophobicContact CG2-CE2 4.28Å; I440-Y454 HydrophobicContact CD1-CE2 3.56Å; F451-Y454 HydrophobicContact CD1-CD2 4.2Å; F451-Y454 HydrophobicContact CD2-CD2 4.42Å; F451-Y454 HydrophobicContact CE1-CD2 4.39Å; F451-Y454 HydrophobicContact CG-CD2 4.21Å; F451-Y454 HydrophobicContact CG-CG 4.43Å; Y454-P456 HydrophobicContact CD1-CG 4.11Å; Y454-P456 HydrophobicContact CE1-CB 4.2Å; Y454-P456 HydrophobicContact CE1-CG 3.5Å; Y454-P456 VanDerWaalsContact CE1-CG 3.5Å; Y454-P456 HydrophobicContact CE2-CB 4.47Å; Y454-R484 HydrophobicContact CE1-CG 4.35Å; Y454-R484 HydrophobicContact CE2-CB 4.37Å; Y454-G486 VanDerWaalsContact OH-CA 3.24Å; Y454-G486 WeakPolarHBondContact OH-CA 3.43Å; Y454-G486 PolarHBondContact OH-N 3.26Å; Y454-D594 WeakPolarHBondContact CE1-OD2 3.09Å; Y454-D594 VanDerWaalsContact CZ-OD2 3.24Å; Y454-D594 VanDerWaalsContact OH-CG 3.3Å; Y454-D594 PolarHBondContact OH-OD1 2.63Å; Y454-D594 PolarHBondContact OH-OD2 2.73Å
455	Y	82.6	Confident	72.5	Confident	61 Å²	61	44.8 Å²	44.8	24%	0.239	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	75.5	179.8	-171.9	-99.4	0	0	0	108.4	M420 G422 A423 V467 D468	M420-Y455 HydrophobicContact CG-CD1 4.15Å; M420-Y455 HydrophobicContact CG-CE1 4.26Å; M420-Y455 HydrophobicContact SD-CD1 4.5Å; G422-Y455 CarbonylContact C-O 3.54Å; G422-Y455 WeakPolarHBondContact CA-O 3.33Å; A423-Y455 PolarHBondContact N-O 2.91Å; A423-Y455 CarbonylContact O-C 3.57Å; A423-Y455 WeakPolarHBondContact O-CA 3.39Å; A423-Y455 PolarHBondContact O-N 3.5Å; Y455-V467 HydrophobicContact CE2-CG1 4.11Å; Y455-D468 PolarHBondContact OH-OD1 2.77Å
456	P	84	Confident	71.6	Confident	11 Å²	11	45.5 Å²	45.5	7%	0.071	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-72.6	147.1	-177.2	30.9	-36	0	0	0	111.2	Y454 G486 I488	Y454-P456 HydrophobicContact CD1-CG 4.11Å; Y454-P456 HydrophobicContact CE1-CB 4.2Å; Y454-P456 HydrophobicContact CE1-CG 3.5Å; Y454-P456 VanDerWaalsContact CE1-CG 3.5Å; Y454-P456 HydrophobicContact CE2-CB 4.47Å; P456-G486 WeakPolarHBondContact CB-O 3.41Å; P456-I488 HydrophobicContact CB-CG2 4.21Å; P456-I488 HydrophobicContact CG-CB 4.3Å; P456-I488 HydrophobicContact CG-CD1 4.07Å; P456-I488 HydrophobicContact CG-CG1 4.11Å; P456-I488 HydrophobicContact CG-CG2 3.39Å; P456-I488 WeakPolarHBondContact O-CD1 3.42Å
457	P	80.1	Confident	70.8	Confident	13 Å²	13	43 Å²	43	8%	0.084	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-70.4	146.7	174.5	18.9	-18.8	0	0	0	110.9	I409 I421 L438 G486 L487 I488	I409-P457 HydrophobicContact CG2-CG 4.34Å; I421-P457 HydrophobicContact CG2-CB 3.68Å; I421-P457 WeakPolarHBondContact O-CA 3.44Å; I421-P457 WeakPolarHBondContact O-CB 3.45Å; L438-P457 HydrophobicContact CD1-CG 3.54Å; P457-G486 WeakPolarHBondContact CD-O 3.42Å; P457-L487 HydrophobicContact CB-CD2 4.4Å; P457-L487 HydrophobicContact CG-CD2 3.67Å; P457-L487 WeakPolarHBondContact O-CA 2.89Å; P457-I488 WeakPolarHBondContact O-CG1 3.42Å; P457-I488 PolarHBondContact O-N 3.02Å
458	A	76.1	Confident	70.3	Confident	15 Å²	15	42.6 Å²	42.6	12%	0.124	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-82.2	142.5	174	0	0	0	0	0	111.3	H464 I488	A458-H464 WeakPolarHBondContact CB-ND1 3.12Å; A458-I488 WeakPolarHBondContact CA-O 3.46Å; A458-I488 HydrophobicContact CB-CD1 4.49Å; A458-I488 HydrophobicContact CB-CG1 4Å
459	T	73.8	Confident	69.6	Low	58 Å²	58	46.2 Å²	46.2	36%	0.356	24%	0.239	S	C	.	.	S	Bend	trans	-85	-25.4	177.3	47.3	0	0	0	0	112.8	L487 I488 G491 T593	T459-L487 HydrophobicContact CG2-CB 4.05Å; T459-L487 HydrophobicContact CG2-CD1 3.87Å; T459-L487 HydrophobicContact CG2-CD2 4.4Å; T459-L487 HydrophobicContact CG2-CG 4.34Å; T459-I488 PolarHBondContact N-O 2.82Å; T459-I488 PolarHBondContact OG1-O 2.72Å; T459-G491 WeakPolarHBondContact OG1-CA 2.93Å; T459-G491 PolarHBondContact OG1-N 2.98Å; T459-T593 HydrophobicContact CG2-CG2 3.87Å
460	D	67.5	Low	68.5	Low	23 Å²	23	49 Å²	49	12%	0.123	25%	0.251	C	S	.	.	S	Bend	trans	-117.3	141.2	173.5	-34	-112.6	0	0	0	110	E462 Y463 H464 R490 G491	D460-E462 PolarHBondContact O-N 3.06Å; D460-Y463 HydrophobicContact CB-CD2 3.69Å; D460-Y463 HydrophobicContact CB-CE2 4.17Å; D460-Y463 PolarHBondContact O-N 3.22Å; D460-Y463 WeakPolarHBondContact OD2-CD2 3.47Å; D460-Y463 WeakPolarHBondContact OD2-CE2 3.31Å; D460-H464 PolarHBondContact O-N 2.59Å; D460-R490 IonicContact OD1-CZ 3.07Å; D460-R490 IonicContact OD1-NE 2.99Å; D460-R490 IonicContact OD1-NH2 2.96Å; D460-R490 PolarHBondContact OD1-NH2 3.14Å; D460-R490 WeakPolarHBondContact OD2-CA 3.06Å; D460-R490 PolarHBondContact OD2-N 2.81Å; D460-G491 PolarHBondContact OD2-N 2.72Å
461	L	56.8	Low	67.7	Low	48 Å²	48	44.5 Å²	44.5	25%	0.251	23%	0.232	S	C	.	.	H	α-helix	trans	-58.2	-36.1	177.8	-61.2	167.6	0	0	0	112.4	E110 Y463 H464	E110-L461 VanDerWaalsContact CD-CD1 3.49Å; E110-L461 HydrophobicContact CG-CD1 4.36Å; E110-L461 WeakPolarHBondContact OE1-CB 3.28Å; E110-L461 WeakPolarHBondContact OE1-CD1 3.24Å; E110-L461 WeakPolarHBondContact OE1-CD2 3.41Å; E110-L461 VanDerWaalsContact OE1-CG 3.28Å; E110-L461 WeakPolarHBondContact OE1-CG 3.46Å; L461-Y463 PolarHBondContact O-N 3.38Å; L461-H464 WeakPolarHBondContact O-CB 3.39Å; L461-H464 PolarHBondContact O-N 2.95Å
462	E	57.4	Low	66.6	Low	78 Å²	78	49.2 Å²	49.2	36%	0.364	26%	0.263	S	S	.	.	H	α-helix	trans	-56	-31.8	174.1	-173.5	177.3	164.1	0	0	112.2	K238 D460 S465 I466	K238-E462 IonicContact NZ-OE2 3.87Å; K238-E462 PolarHBondContact NZ-OE2 2.72Å; D460-E462 PolarHBondContact O-N 3.06Å; E462-S465 PolarHBondContact O-OG 3.46Å; E462-I466 WeakPolarHBondContact O-CD1 3.3Å; E462-I466 WeakPolarHBondContact O-CG1 3.11Å
463	Y	62	Low	65.5	Low	20 Å²	20	53.5 Å²	53.5	8%	0.078	28%	0.283	C	S	.	.	H	α-helix	trans	-90.5	-15.1	177.8	-63	-69.4	0	0	0	113.1	D460 L461 I466 V467 F474 R490 L496	D460-Y463 HydrophobicContact CB-CD2 3.69Å; D460-Y463 HydrophobicContact CB-CE2 4.17Å; D460-Y463 PolarHBondContact O-N 3.22Å; D460-Y463 WeakPolarHBondContact OD2-CD2 3.47Å; D460-Y463 WeakPolarHBondContact OD2-CE2 3.31Å; L461-Y463 PolarHBondContact O-N 3.38Å; Y463-I466 HydrophobicContact CD1-CD1 3.71Å; Y463-I466 HydrophobicContact CE1-CD1 4Å; Y463-I466 PolarHBondContact O-N 2.86Å; Y463-V467 VanDerWaalsContact O-CB 3.26Å; Y463-V467 WeakPolarHBondContact O-CB 3.45Å; Y463-V467 WeakPolarHBondContact O-CG2 3.16Å; Y463-V467 PolarHBondContact O-N 3.16Å; Y463-F474 AromaticContact CD1-CE1 3.96Å; Y463-F474 HydrophobicContact CD1-CE1 3.96Å; Y463-F474 AromaticContact CD1-CE2 3.97Å; Y463-F474 HydrophobicContact CD1-CE2 3.97Å; Y463-F474 AromaticContact CD1-CZ 3.3Å; Y463-F474 HydrophobicContact CD1-CZ 3.3Å; Y463-F474 HydrophobicContact CE1-CE2 4.23Å; Y463-F474 AromaticContact CE1-CZ 3.68Å; Y463-F474 HydrophobicContact CE1-CZ 3.68Å; Y463-F474 HydrophobicContact CG-CZ 4.24Å; Y463-R490 HydrophobicContact CE2-CB 3.81Å; Y463-L496 HydrophobicContact CE1-CD1 3.96Å; Y463-L496 HydrophobicContact CE1-CD2 4.47Å; Y463-L496 HydrophobicContact CE2-CD2 4.39Å; Y463-L496 WeakPolarHBondContact OH-CD1 3.26Å; Y463-L496 WeakPolarHBondContact OH-CG 3.49Å
464	H	59.9	Low	64.3	Low	59 Å²	59	53 Å²	53	27%	0.273	28%	0.28	S	S	.	.	H	α-helix	trans	-62.2	-46.5	170.1	-90.6	-29.9	0	0	0	110.9	A458 D460 L461 V467 D468	A458-H464 WeakPolarHBondContact CB-ND1 3.12Å; D460-H464 PolarHBondContact O-N 2.59Å; L461-H464 WeakPolarHBondContact O-CB 3.39Å; L461-H464 PolarHBondContact O-N 2.95Å; H464-V467 PolarHBondContact O-N 2.82Å; H464-D468 WeakPolarHBondContact O-CB 3.02Å; H464-D468 PolarHBondContact O-N 3.39Å
465	S	55.2	Low	63.1	Low	50 Å²	50	53.4 Å²	53.4	35%	0.35	29%	0.287	S	S	.	.	H	α-helix	trans	-64.4	-42.9	176.7	56.9	0	0	0	0	112.2	E462 V467 D468 E469	E462-S465 PolarHBondContact O-OG 3.46Å; S465-V467 VanDerWaalsContact C-N 3.28Å; S465-V467 PolarHBondContact O-N 3.11Å; S465-D468 PolarHBondContact O-N 2.84Å; S465-E469 WeakPolarHBondContact O-CB 3.28Å; S465-E469 PolarHBondContact O-N 3.07Å
466	I	56	Low	62.2	Low	40 Å²	40	57.1 Å²	57.1	21%	0.205	30%	0.304	C	S	.	.	H	α-helix	trans	-62.6	-36.6	178	-64.5	168.6	0	0	0	111.2	E462 Y463 E469 M470 F474	E462-I466 WeakPolarHBondContact O-CD1 3.3Å; E462-I466 WeakPolarHBondContact O-CG1 3.11Å; Y463-I466 HydrophobicContact CD1-CD1 3.71Å; Y463-I466 HydrophobicContact CE1-CD1 4Å; Y463-I466 PolarHBondContact O-N 2.86Å; I466-E469 PolarHBondContact O-N 2.74Å; I466-M470 HydrophobicContact CG2-CG 3.95Å; I466-M470 HydrophobicContact CG2-SD 3.51Å; I466-M470 VanDerWaalsContact CG2-SD 3.51Å; I466-M470 VanDerWaalsContact O-CB 3.24Å; I466-M470 WeakPolarHBondContact O-CB 3.48Å; I466-M470 WeakPolarHBondContact O-CG 3.37Å; I466-M470 PolarHBondContact O-N 2.57Å; I466-F474 HydrophobicContact CG2-CD2 3.33Å; I466-F474 HydrophobicContact CG2-CE2 3.63Å; I466-F474 HydrophobicContact CG2-CG 3.98Å; I466-F474 HydrophobicContact CG2-CZ 4.48Å
467	V	58.5	Low	61.3	Low	8 Å²	8	59.2 Å²	59.2	5%	0.048	32%	0.317	C	S	.	.	H	α-helix	trans	-76.5	-33.8	179.8	172	0	0	0	0	111.5	Y455 Y463 H464 S465 E469 G471 F474 I488	Y455-V467 HydrophobicContact CE2-CG1 4.11Å; Y463-V467 VanDerWaalsContact O-CB 3.26Å; Y463-V467 WeakPolarHBondContact O-CB 3.45Å; Y463-V467 WeakPolarHBondContact O-CG2 3.16Å; Y463-V467 PolarHBondContact O-N 3.16Å; H464-V467 PolarHBondContact O-N 2.82Å; S465-V467 VanDerWaalsContact C-N 3.28Å; S465-V467 PolarHBondContact O-N 3.11Å; V467-E469 VanDerWaalsContact C-N 3.3Å; V467-G471 WeakPolarHBondContact O-CA 3.32Å; V467-G471 PolarHBondContact O-N 3.03Å; V467-F474 HydrophobicContact CG2-CB 4.4Å; V467-F474 HydrophobicContact CG2-CD1 3.7Å; V467-F474 HydrophobicContact CG2-CE1 4.35Å; V467-F474 HydrophobicContact CG2-CG 4.21Å; V467-I488 HydrophobicContact CB-CD1 4.09Å; V467-I488 HydrophobicContact CG1-CD1 3.85Å; V467-I488 HydrophobicContact CG2-CD1 3.17Å; V467-I488 HydrophobicContact CG2-CG1 4.3Å
468	D	58	Low	60.8	Low	92 Å²	92	65.1 Å²	65.1	49%	0.492	34%	0.338	S	S	.	.	H	α-helix	trans	-67.3	-33.7	171.8	-74.1	-13.9	0	0	0	111.3	Y455 H464 S465	Y455-D468 PolarHBondContact OH-OD1 2.77Å; H464-D468 WeakPolarHBondContact O-CB 3.02Å; H464-D468 PolarHBondContact O-N 3.39Å; S465-D468 PolarHBondContact O-N 2.84Å
469	E	55.3	Low	60.8	Low	168 Å²	168	66 Å²	66	79%	0.785	34%	0.342	S	S	*	.	H	α-helix	trans	-82.4	-53.1	178.8	-170.7	179.3	-173.6	0	0	113.4	S465 I466 V467	S465-E469 WeakPolarHBondContact O-CB 3.28Å; S465-E469 PolarHBondContact O-N 3.07Å; I466-E469 PolarHBondContact O-N 2.74Å; V467-E469 VanDerWaalsContact C-N 3.3Å
470	M	52.2	Low	61.2	Low	92 Å²	92	63.4 Å²	63.4	45%	0.453	33%	0.326	S	S	.	.	H	α-helix	trans	-82.5	-15.7	-177.7	-58.7	-173.4	98.6	0	0	112.7	I466 E473 F474	I466-M470 HydrophobicContact CG2-CG 3.95Å; I466-M470 HydrophobicContact CG2-SD 3.51Å; I466-M470 VanDerWaalsContact CG2-SD 3.51Å; I466-M470 VanDerWaalsContact O-CB 3.24Å; I466-M470 WeakPolarHBondContact O-CB 3.48Å; I466-M470 WeakPolarHBondContact O-CG 3.37Å; I466-M470 PolarHBondContact O-N 2.57Å; M470-E473 WeakPolarHBondContact O-CB 3.4Å; M470-E473 PolarHBondContact O-N 2.72Å; M470-F474 HydrophobicContact CB-CB 4.04Å; M470-F474 HydrophobicContact SD-CB 4.28Å; M470-F474 HydrophobicContact SD-CD2 3.81Å
471	G	57.4	Low	61.8	Low	20 Å²	20	68 Å²	68	21%	0.206	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	58.1	-143.4	-176.8	0	0	0	0	0	112.9	V467 E473 F474	V467-G471 WeakPolarHBondContact O-CA 3.32Å; V467-G471 PolarHBondContact O-N 3.03Å; G471-E473 PolarHBondContact O-N 2.85Å; G471-F474 PolarHBondContact O-N 3.16Å
472	P	57.2	Low	62.8	Low	105 Å²	105	70.8 Å²	70.8	68%	0.682	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-59.2	-18.2	179.8	-21.7	31.9	0	0	0	114.6	F474 S475	P472-F474 VanDerWaalsContact C-N 3.33Å; P472-F474 PolarHBondContact O-N 3.1Å; P472-S475 WeakPolarHBondContact O-CB 3.37Å; P472-S475 PolarHBondContact O-N 2.9Å; P472-S475 PolarHBondContact O-OG 3.23Å
473	E	58.3	Low	63.7	Low	114 Å²	114	67.4 Å²	67.4	53%	0.533	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-67.9	-30.8	-177.6	-64.4	-118.7	110.2	0	0	113	M470 G471 S475 K476	M470-E473 WeakPolarHBondContact O-CB 3.4Å; M470-E473 PolarHBondContact O-N 2.72Å; G471-E473 PolarHBondContact O-N 2.85Å; E473-S475 PolarHBondContact O-N 3.35Å; E473-S475 VanDerWaalsContact O-N 3.15Å; E473-K476 VanDerWaalsContact O-CB 3.26Å; E473-K476 WeakPolarHBondContact O-CB 3.45Å; E473-K476 WeakPolarHBondContact O-CG 3.5Å; E473-K476 PolarHBondContact O-N 3.16Å; E473-K476 IonicContact OE1-NZ 2.84Å; E473-K476 PolarHBondContact OE1-NZ 2.87Å
474	F	58.1	Low	64.7	Low	9 Å²	9	69.5 Å²	69.5	4%	0.039	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-59.1	-30.1	178.7	-178.7	-104.8	0	0	0	112.2	Y463 I466 V467 M470 G471 P472 K476 V477	Y463-F474 AromaticContact CD1-CE1 3.96Å; Y463-F474 HydrophobicContact CD1-CE1 3.96Å; Y463-F474 AromaticContact CD1-CE2 3.97Å; Y463-F474 HydrophobicContact CD1-CE2 3.97Å; Y463-F474 AromaticContact CD1-CZ 3.3Å; Y463-F474 HydrophobicContact CD1-CZ 3.3Å; Y463-F474 HydrophobicContact CE1-CE2 4.23Å; Y463-F474 AromaticContact CE1-CZ 3.68Å; Y463-F474 HydrophobicContact CE1-CZ 3.68Å; Y463-F474 HydrophobicContact CG-CZ 4.24Å; I466-F474 HydrophobicContact CG2-CD2 3.33Å; I466-F474 HydrophobicContact CG2-CE2 3.63Å; I466-F474 HydrophobicContact CG2-CG 3.98Å; I466-F474 HydrophobicContact CG2-CZ 4.48Å; V467-F474 HydrophobicContact CG2-CB 4.4Å; V467-F474 HydrophobicContact CG2-CD1 3.7Å; V467-F474 HydrophobicContact CG2-CE1 4.35Å; V467-F474 HydrophobicContact CG2-CG 4.21Å; M470-F474 HydrophobicContact CB-CB 4.04Å; M470-F474 HydrophobicContact SD-CB 4.28Å; M470-F474 HydrophobicContact SD-CD2 3.81Å; G471-F474 PolarHBondContact O-N 3.16Å; P472-F474 VanDerWaalsContact C-N 3.33Å; P472-F474 PolarHBondContact O-N 3.1Å; F474-K476 PolarHBondContact O-N 2.89Å; F474-V477 HydrophobicContact CD2-CB 4.41Å; F474-V477 HydrophobicContact CD2-CG2 4.34Å; F474-V477 HydrophobicContact CE2-CB 4.41Å; F474-V477 PolarHBondContact O-N 2.84Å
475	S	59.6	Low	65.7	Low	38 Å²	38	68 Å²	68	27%	0.266	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-60	-11.8	175.3	71.9	0	0	0	0	114	P472 E473	P472-S475 WeakPolarHBondContact O-CB 3.37Å; P472-S475 PolarHBondContact O-N 2.9Å; P472-S475 PolarHBondContact O-OG 3.23Å; E473-S475 PolarHBondContact O-N 3.35Å; E473-S475 VanDerWaalsContact O-N 3.15Å
476	K	64	Low	66.9	Low	138 Å²	138	65.6 Å²	65.6	60%	0.6	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-90.4	-11.6	175.1	-56.2	175	-175	166.8	0	113.6	E473 F474 V479	E473-K476 VanDerWaalsContact O-CB 3.26Å; E473-K476 WeakPolarHBondContact O-CB 3.45Å; E473-K476 WeakPolarHBondContact O-CG 3.5Å; E473-K476 PolarHBondContact O-N 3.16Å; E473-K476 IonicContact OE1-NZ 2.84Å; E473-K476 PolarHBondContact OE1-NZ 2.87Å; F474-K476 PolarHBondContact O-N 2.89Å; K476-V479 VanDerWaalsContact O-CG2 3.31Å; K476-V479 WeakPolarHBondContact O-CG2 3.26Å
477	V	63.8	Low	68.2	Low	56 Å²	56	65.5 Å²	65.5	34%	0.339	33%	0.33	S	S	.	.	S	Bend	trans	-88.1	122.7	178.9	-170.8	0	0	0	0	109.1	F474 N595	F474-V477 HydrophobicContact CD2-CB 4.41Å; F474-V477 HydrophobicContact CD2-CG2 4.34Å; F474-V477 HydrophobicContact CE2-CB 4.41Å; F474-V477 PolarHBondContact O-N 2.84Å; V477-N595 PolarHBondContact O-ND2 2.83Å
478	Y	69.5	Low	69.3	Low	136 Å²	136	65.4 Å²	65.4	53%	0.533	33%	0.329	S	S	.	.	S	Bend	trans	48.9	75.3	-172.9	-62.1	-75.2	0	0	0	113.3	L496 N595 W597	Y478-L496 HydrophobicContact CD2-CB 3.61Å; Y478-L496 HydrophobicContact CD2-CD1 3.75Å; Y478-L496 HydrophobicContact CD2-CG 4.35Å; Y478-L496 HydrophobicContact CE2-CB 4.08Å; Y478-L496 HydrophobicContact CE2-CD1 4.08Å; Y478-L496 HydrophobicContact CG-CB 3.92Å; Y478-N595 VanDerWaalsContact O-CA 3.26Å; Y478-N595 WeakPolarHBondContact O-CA 3.38Å; Y478-W597 WeakPolarHBondContact O-CZ3 3.4Å
479	V	75.5	Confident	70.3	Confident	35 Å²	35	61 Å²	61	21%	0.212	31%	0.306	C	S	.	.			trans	-85.5	123.3	-175.3	-172.3	0	0	0	0	112	K447 K476 Q481 W597	K447-V479 HydrophobicContact CD-CG1 3.91Å; K476-V479 VanDerWaalsContact O-CG2 3.31Å; K476-V479 WeakPolarHBondContact O-CG2 3.26Å; V479-Q481 PolarHBondContact O-N 3.33Å; V479-Q481 VanDerWaalsContact O-N 3.16Å; V479-Q481 PolarHBondContact O-NE2 2.64Å; V479-W597 VanDerWaalsContact C-CZ3 3.43Å; V479-W597 WeakPolarHBondContact O-CH2 3.29Å
480	N	82.6	Confident	71.4	Confident	3 Å²	3	55.7 Å²	55.7	2%	0.016	28%	0.279	C	S	.	.			trans	-60.9	113.9	166.8	-173.9	-7.2	0	0	0	109.7	E482 D594 W597	N480-E482 PolarHBondContact O-N 3.41Å; N480-E482 PolarHBondContact OD1-N 3.43Å; N480-E482 VanDerWaalsContact OD1-N 3.1Å; N480-D594 WeakPolarHBondContact CB-O 3.48Å; N480-D594 PolarHBondContact N-O 3.03Å; N480-W597 VanDerWaalsContact CA-CE3 3.46Å; N480-W597 HydrophobicContact CB-CB 4.45Å; N480-W597 HydrophobicContact CB-CD2 3.97Å; N480-W597 HydrophobicContact CB-CE3 3.56Å; N480-W597 HydrophobicContact CB-CG 4.37Å; N480-W597 HydrophobicContact CB-CZ3 4.07Å; N480-W597 VanDerWaalsContact N-CZ3 3.29Å; N480-W597 WeakPolarHBondContact ND2-CB 3.27Å
481	Q	80	Confident	72.7	Confident	120 Å²	120	52.2 Å²	52.2	56%	0.561	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-17.4	-175	-59.1	-57.9	-47.4	0	0	113.1	V479	V479-Q481 PolarHBondContact O-N 3.33Å; V479-Q481 VanDerWaalsContact O-N 3.16Å; V479-Q481 PolarHBondContact O-NE2 2.64Å
482	E	78	Confident	73.4	Confident	106 Å²	106	53.1 Å²	53.1	50%	0.495	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-18.7	-174.6	-60.2	-79.5	162.8	0	0	111.6	N480 Y586	N480-E482 PolarHBondContact O-N 3.41Å; N480-E482 PolarHBondContact OD1-N 3.43Å; N480-E482 VanDerWaalsContact OD1-N 3.1Å; E482-Y586 HydrophobicContact CB-CD1 3.94Å; E482-Y586 HydrophobicContact CB-CD2 4.27Å; E482-Y586 HydrophobicContact CB-CE1 3.66Å; E482-Y586 HydrophobicContact CB-CE2 3.99Å; E482-Y586 HydrophobicContact CB-CG 4.21Å; E482-Y586 VanDerWaalsContact CD-CD1 3.47Å; E482-Y586 HydrophobicContact CG-CD1 3.44Å; E482-Y586 VanDerWaalsContact CG-CD1 3.44Å; E482-Y586 HydrophobicContact CG-CD2 3.67Å; E482-Y586 HydrophobicContact CG-CE1 3.73Å; E482-Y586 HydrophobicContact CG-CE2 3.93Å; E482-Y586 HydrophobicContact CG-CG 3.38Å
483	G	77.3	Confident	74.6	Confident	7 Å²	7	48.3 Å²	48.3	7%	0.072	23%	0.234	C	C	.	.			trans	151.2	176.6	171.6	0	0	0	0	0	114.6	S445	S445-G483 CarbonylContact O-C 3.5Å; S445-G483 WeakPolarHBondContact O-CA 3.37Å
484	R	82.2	Confident	75.4	Confident	64 Å²	64	46.4 Å²	46.4	24%	0.242	23%	0.227	C	C	.	.			trans	-84.1	127.1	171.1	-62.7	-167.9	-168.3	-173.9	1.8	109.8	S445 F451 Y454	S445-R484 WeakPolarHBondContact CB-O 3.33Å; S445-R484 PolarHBondContact O-N 2.94Å; F451-R484 VanDerWaalsContact CD2-NH1 3.29Å; F451-R484 HydrophobicContact CE2-CG 4.46Å; Y454-R484 HydrophobicContact CE1-CG 4.35Å; Y454-R484 HydrophobicContact CE2-CB 4.37Å
485	T	80.8	Confident	76.4	Confident	26 Å²	26	48.3 Å²	48.3	16%	0.16	24%	0.242	C	C	.	.			trans	-95.4	-13.5	-177.2	71	0	0	0	0	113.1	R437 L487 E592 T593 D594	R437-T485 WeakPolarHBondContact CD-O 3.19Å; R437-T485 PolarHBondContact NH1-OG1 3.22Å; T485-L487 PolarHBondContact OG1-N 2.97Å; T485-L487 PolarHBondContact OG1-O 3.37Å; T485-E592 HydrophobicContact CG2-CB 4.35Å; T485-T593 VanDerWaalsContact OG1-C 3.24Å; T485-T593 VanDerWaalsContact OG1-CA 3.29Å; T485-T593 WeakPolarHBondContact OG1-CA 3.38Å; T485-D594 WeakPolarHBondContact CA-OD1 3.44Å; T485-D594 WeakPolarHBondContact CB-OD1 3.48Å; T485-D594 PolarHBondContact N-OD1 3.05Å; T485-D594 PolarHBondContact OG1-N 2.93Å; T485-D594 VanDerWaalsContact OG1-N 3.14Å; T485-D594 PolarHBondContact OG1-OD1 2.78Å
486	G	80.8	Confident	77.4	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.237	C	C	.	.	S	Bend	trans	82.5	11.3	-175.9	0	0	0	0	0	114.4	Y454 P456 P457 D594	Y454-G486 VanDerWaalsContact OH-CA 3.24Å; Y454-G486 WeakPolarHBondContact OH-CA 3.43Å; Y454-G486 PolarHBondContact OH-N 3.26Å; P456-G486 WeakPolarHBondContact CB-O 3.41Å; P457-G486 WeakPolarHBondContact CD-O 3.42Å; G486-D594 PolarHBondContact N-OD1 2.87Å
487	L	82.6	Confident	78.5	Confident	38 Å²	38	41.7 Å²	41.7	20%	0.199	21%	0.21	C	C	.	.			trans	-138.1	145.7	174	-69.9	-179.3	0	0	0	109.7	P457 T459 T485 T593 D594	P457-L487 HydrophobicContact CB-CD2 4.4Å; P457-L487 HydrophobicContact CG-CD2 3.67Å; P457-L487 WeakPolarHBondContact O-CA 2.89Å; T459-L487 HydrophobicContact CG2-CB 4.05Å; T459-L487 HydrophobicContact CG2-CD1 3.87Å; T459-L487 HydrophobicContact CG2-CD2 4.4Å; T459-L487 HydrophobicContact CG2-CG 4.34Å; T485-L487 PolarHBondContact OG1-N 2.97Å; T485-L487 PolarHBondContact OG1-O 3.37Å; L487-T593 HydrophobicContact CB-CG2 4.23Å; L487-T593 WeakPolarHBondContact O-CB 3.44Å; L487-D594 WeakPolarHBondContact O-CB 3.23Å; L487-D594 VanDerWaalsContact O-CG 3.27Å; L487-D594 PolarHBondContact O-N 3.33Å
488	I	81.8	Confident	79.7	Confident	6 Å²	6	42.1 Å²	42.1	3%	0.031	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-120.2	167.8	175.8	53.2	178.7	0	0	0	111.2	P456 P457 A458 T459 V467 D594 N595	P456-I488 HydrophobicContact CB-CG2 4.21Å; P456-I488 HydrophobicContact CG-CB 4.3Å; P456-I488 HydrophobicContact CG-CD1 4.07Å; P456-I488 HydrophobicContact CG-CG1 4.11Å; P456-I488 HydrophobicContact CG-CG2 3.39Å; P456-I488 WeakPolarHBondContact O-CD1 3.42Å; P457-I488 WeakPolarHBondContact O-CG1 3.42Å; P457-I488 PolarHBondContact O-N 3.02Å; A458-I488 WeakPolarHBondContact CA-O 3.46Å; A458-I488 HydrophobicContact CB-CD1 4.49Å; A458-I488 HydrophobicContact CB-CG1 4Å; T459-I488 PolarHBondContact N-O 2.82Å; T459-I488 PolarHBondContact OG1-O 2.72Å; V467-I488 HydrophobicContact CB-CD1 4.09Å; V467-I488 HydrophobicContact CG1-CD1 3.85Å; V467-I488 HydrophobicContact CG2-CD1 3.17Å; V467-I488 HydrophobicContact CG2-CG1 4.3Å; I488-D594 HydrophobicContact CG2-CB 3.93Å; I488-N595 VanDerWaalsContact CA-OD1 3.32Å; I488-N595 WeakPolarHBondContact CA-OD1 3.23Å; I488-N595 VanDerWaalsContact CB-OD1 3.23Å; I488-N595 WeakPolarHBondContact CB-OD1 3.32Å; I488-N595 WeakPolarHBondContact CG2-OD1 3.42Å
489	G	79.2	Confident	80.7	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.184	C	C	.	.	S	Bend	trans	94.2	-170.5	-176.4	0	0	0	0	0	113.1	T593 N595	G489-T593 WeakPolarHBondContact O-CB 3.44Å; G489-T593 PolarHBondContact O-OG1 2.63Å; G489-N595 PolarHBondContact N-OD1 3.4Å
490	R	78.8	Confident	81.5	Confident	57 Å²	57	40.5 Å²	40.5	22%	0.215	20%	0.198	C	C	.	.			trans	-89.6	-34.7	-176.6	-174.5	-169.7	66.4	-135.3	-20.5	111.6	D460 Y463 I492 W493 L496	D460-R490 IonicContact OD1-CZ 3.07Å; D460-R490 IonicContact OD1-NE 2.99Å; D460-R490 IonicContact OD1-NH2 2.96Å; D460-R490 PolarHBondContact OD1-NH2 3.14Å; D460-R490 WeakPolarHBondContact OD2-CA 3.06Å; D460-R490 PolarHBondContact OD2-N 2.81Å; Y463-R490 HydrophobicContact CE2-CB 3.81Å; R490-I492 PolarHBondContact O-N 3.24Å; R490-W493 WeakPolarHBondContact CD-O 3.29Å; R490-W493 HydrophobicContact CG-CB 4.3Å; R490-W493 WeakPolarHBondContact CG-O 3.32Å; R490-W493 PolarHBondContact NE-O 3.11Å; R490-W493 WeakPolarHBondContact O-CB 3.31Å; R490-W493 PolarHBondContact O-N 3.23Å; R490-L496 HydrophobicContact CB-CD2 3.8Å; R490-L496 HydrophobicContact CB-CG 4.46Å; R490-L496 HydrophobicContact CG-CD2 4.48Å
491	G	79.2	Confident	81.9	Confident	18 Å²	18	40.3 Å²	40.3	19%	0.186	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	-134.7	-172.4	0	0	0	0	0	111.5	T459 D460 W493	T459-G491 WeakPolarHBondContact OG1-CA 2.93Å; T459-G491 PolarHBondContact OG1-N 2.98Å; D460-G491 PolarHBondContact OD2-N 2.72Å; G491-W493 PolarHBondContact O-N 3.38Å
492	I	72.9	Confident	82.5	Confident	40 Å²	40	35 Å²	35	21%	0.205	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-8.9	-177	67.3	168	0	0	0	114.1	R490 Q526 Y591	R490-I492 PolarHBondContact O-N 3.24Å; I492-Q526 HydrophobicContact CB-CG 4.25Å; I492-Q526 HydrophobicContact CD1-CB 3.92Å; I492-Q526 HydrophobicContact CD1-CG 4.01Å; I492-Q526 WeakPolarHBondContact CD1-O 3.49Å; I492-Q526 HydrophobicContact CG2-CG 4.36Å; I492-Y591 VanDerWaalsContact CD1-CB 3.44Å; I492-Y591 HydrophobicContact CD1-CD1 4.17Å; I492-Y591 HydrophobicContact CD1-CD2 3.63Å; I492-Y591 HydrophobicContact CD1-CE2 4.38Å; I492-Y591 HydrophobicContact CD1-CG 3.49Å; I492-Y591 VanDerWaalsContact CD1-CG 3.49Å; I492-Y591 HydrophobicContact CG1-CG 4.25Å
493	W	80.8	Confident	83.2	Confident	3 Å²	3	29.9 Å²	29.9	1%	0.011	15%	0.149	C	C	.	.	S	Bend	trans	-73.3	157.2	-175.9	-59.1	109.5	0	0	0	112.4	R490 G491 S495 N499 L527 Y535 H589 Y591 E592 A596 V598	R490-W493 WeakPolarHBondContact CD-O 3.29Å; R490-W493 HydrophobicContact CG-CB 4.3Å; R490-W493 WeakPolarHBondContact CG-O 3.32Å; R490-W493 PolarHBondContact NE-O 3.11Å; R490-W493 WeakPolarHBondContact O-CB 3.31Å; R490-W493 PolarHBondContact O-N 3.23Å; G491-W493 PolarHBondContact O-N 3.38Å; W493-S495 VanDerWaalsContact C-N 3.35Å; W493-N499 HydrophobicContact CD2-CB 4.49Å; W493-N499 HydrophobicContact CE3-CB 4.02Å; W493-L527 HydrophobicContact CH2-CD2 3.93Å; W493-L527 HydrophobicContact CZ3-CD2 3.7Å; W493-Y535 HydrophobicContact CE3-CE1 4.21Å; W493-Y535 VanDerWaalsContact CE3-OH 3.31Å; W493-H589 HydrophobicContact CH2-CB 4.19Å; W493-H589 AromaticContact CH2-CE1 3.47Å; W493-H589 VanDerWaalsContact CH2-CE1 3.47Å; W493-H589 WeakPolarHBondContact CH2-CE1 3.17Å; W493-H589 AromaticContact CH2-CG 3.62Å; W493-H589 AromaticContact CH2-ND1 3.23Å; W493-H589 WeakPolarHBondContact CH2-ND1 3.35Å; W493-H589 HydrophobicContact CZ2-CB 4.09Å; W493-H589 AromaticContact CZ2-CE1 3.81Å; W493-H589 AromaticContact CZ2-CG 3.77Å; W493-H589 AromaticContact CZ2-ND1 3.18Å; W493-H589 WeakPolarHBondContact CZ2-ND1 3.32Å; W493-Y591 PolarHBondContact NE1-O 3.26Å; W493-E592 HydrophobicContact CZ2-CG 4.23Å; W493-A596 HydrophobicContact CB-CB 4.14Å; W493-A596 HydrophobicContact CG-CB 4.08Å; W493-V598 HydrophobicContact CE3-CG2 4.18Å; W493-V598 HydrophobicContact CH2-CG2 3.06Å; W493-V598 HydrophobicContact CZ2-CG2 3.44Å; W493-V598 VanDerWaalsContact CZ2-CG2 3.44Å; W493-V598 HydrophobicContact CZ3-CG2 3.47Å; W493-V598 VanDerWaalsContact CZ3-CG2 3.47Å
494	I	76.5	Confident	84	Confident	74 Å²	74	29.8 Å²	29.8	38%	0.379	15%	0.146	S	C	.	.	S	Bend	trans	-74.1	-27.4	179.5	61.4	172.8	0	0	0	112.8	N499 Y535 W547 E549	I494-N499 WeakPolarHBondContact CG1-OD1 3.31Å; I494-N499 PolarHBondContact N-OD1 3.08Å; I494-Y535 HydrophobicContact CB-CE1 4.27Å; I494-Y535 HydrophobicContact CD1-CD1 3.54Å; I494-Y535 HydrophobicContact CD1-CE1 3.79Å; I494-Y535 HydrophobicContact CD1-CG 4.13Å; I494-Y535 HydrophobicContact CG1-CD1 3.89Å; I494-Y535 HydrophobicContact CG1-CE1 3.56Å; I494-Y535 HydrophobicContact CG2-CD1 4.4Å; I494-Y535 HydrophobicContact CG2-CD2 4.29Å; I494-Y535 HydrophobicContact CG2-CE1 3.94Å; I494-Y535 HydrophobicContact CG2-CE2 3.79Å; I494-Y535 PolarHBondContact N-OH 2.92Å; I494-W547 HydrophobicContact CD1-CZ3 4.24Å; I494-E549 HydrophobicContact CG2-CG 4.06Å
495	S	78.8	Confident	84.5	Confident	50 Å²	50	26.8 Å²	26.8	35%	0.35	14%	0.135	S	C	.	.	S	Bend	trans	-147	155.1	-177.6	60	0	0	0	0	111.9	W493 N499	W493-S495 VanDerWaalsContact C-N 3.35Å; S495-N499 PolarHBondContact N-OD1 3.07Å; S495-N499 PolarHBondContact O-ND2 2.94Å; S495-N499 PolarHBondContact OG-OD1 3.4Å
496	L	80.5	Confident	85.1	Confident	33 Å²	33	25.6 Å²	25.6	17%	0.173	13%	0.128	C	C	.	.	S	Bend	trans	-63.6	156.1	160.8	-63.3	176.6	0	0	0	110.1	Y463 Y478 R490 N595	Y463-L496 HydrophobicContact CE1-CD1 3.96Å; Y463-L496 HydrophobicContact CE1-CD2 4.47Å; Y463-L496 HydrophobicContact CE2-CD2 4.39Å; Y463-L496 WeakPolarHBondContact OH-CD1 3.26Å; Y463-L496 WeakPolarHBondContact OH-CG 3.49Å; Y478-L496 HydrophobicContact CD2-CB 3.61Å; Y478-L496 HydrophobicContact CD2-CD1 3.75Å; Y478-L496 HydrophobicContact CD2-CG 4.35Å; Y478-L496 HydrophobicContact CE2-CB 4.08Å; Y478-L496 HydrophobicContact CE2-CD1 4.08Å; Y478-L496 HydrophobicContact CG-CB 3.92Å; R490-L496 HydrophobicContact CB-CD2 3.8Å; R490-L496 HydrophobicContact CB-CG 4.46Å; R490-L496 HydrophobicContact CG-CD2 4.48Å; L496-N595 CarbonylContact C-O 3.53Å; L496-N595 WeakPolarHBondContact CA-O 3.31Å; L496-N595 HydrophobicContact CD2-CB 3.76Å
497	G	86.9	Confident	85.7	Confident	4 Å²	4	25.6 Å²	25.6	4%	0.041	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	82	-147.2	-178.1	0	0	0	0	0	114	N499 N595 A596 W597	G497-N499 PolarHBondContact O-N 2.71Å; G497-N499 PolarHBondContact O-ND2 2.99Å; G497-N499 VanDerWaalsContact O-ND2 3.16Å; G497-N595 PolarHBondContact N-O 2.69Å; G497-A596 WeakPolarHBondContact O-CA 3.38Å; G497-W597 PolarHBondContact O-N 3.17Å
498	E	89.4	Confident	86.2	Confident	65 Å²	65	24.7 Å²	24.7	30%	0.304	12%	0.122	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	109.3	-177	-176.3	-173.4	104.3	0	0	111.5	R500 W597 K599	E498-R500 HydrophobicContact CG-CG 4.31Å; E498-R500 IonicContact OE1-CZ 2.7Å; E498-R500 IonicContact OE1-NE 3.75Å; E498-R500 PolarHBondContact OE1-NE 2.7Å; E498-R500 IonicContact OE1-NH2 3.06Å; E498-R500 PolarHBondContact OE1-NH2 2.61Å; E498-R500 VanDerWaalsContact OE1-NH2 3.15Å; E498-W597 HydrophobicContact CB-CZ2 4.26Å; E498-K599 HydrophobicContact CG-CB 3.67Å; E498-K599 HydrophobicContact CG-CD 3.94Å; E498-K599 VanDerWaalsContact OE1-CD 3.28Å; E498-K599 WeakPolarHBondContact OE1-CD 3.26Å; E498-K599 IonicContact OE1-NZ 3.2Å; E498-K599 PolarHBondContact OE1-NZ 3.02Å; E498-K599 WeakPolarHBondContact OE2-CD 3.41Å; E498-K599 IonicContact OE2-NZ 2.82Å; E498-K599 PolarHBondContact OE2-NZ 2.85Å
499	N	90.1	Very high	86.7	Confident	2 Å²	2	28.3 Å²	28.3	1%	0.011	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	112.7	170.9	-72.3	-95.3	0	0	0	109.5	W493 I494 S495 G497 M501 Y535 W597 V598 K599	W493-N499 HydrophobicContact CD2-CB 4.49Å; W493-N499 HydrophobicContact CE3-CB 4.02Å; I494-N499 WeakPolarHBondContact CG1-OD1 3.31Å; I494-N499 PolarHBondContact N-OD1 3.08Å; S495-N499 PolarHBondContact N-OD1 3.07Å; S495-N499 PolarHBondContact O-ND2 2.94Å; S495-N499 PolarHBondContact OG-OD1 3.4Å; G497-N499 PolarHBondContact O-N 2.71Å; G497-N499 PolarHBondContact O-ND2 2.99Å; G497-N499 VanDerWaalsContact O-ND2 3.16Å; N499-M501 PolarHBondContact O-N 3.49Å; N499-Y535 HydrophobicContact CB-CE1 4.26Å; N499-W597 WeakPolarHBondContact CB-O 3.37Å; N499-W597 PolarHBondContact N-O 3.42Å; N499-V598 WeakPolarHBondContact O-CA 3.41Å; N499-K599 PolarHBondContact O-N 3.05Å
500	R	92.3	Very high	87.3	Confident	134 Å²	134	32.5 Å²	32.5	51%	0.506	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	118.3	-175.3	-68.2	179.7	172.7	173.5	4.8	110.6	E498 R536	E498-R500 HydrophobicContact CG-CG 4.31Å; E498-R500 IonicContact OE1-CZ 2.7Å; E498-R500 IonicContact OE1-NE 3.75Å; E498-R500 PolarHBondContact OE1-NE 2.7Å; E498-R500 IonicContact OE1-NH2 3.06Å; E498-R500 PolarHBondContact OE1-NH2 2.61Å; E498-R500 VanDerWaalsContact OE1-NH2 3.15Å; R500-R536 HydrophobicContact CB-CB 3.94Å; R500-R536 WeakPolarHBondContact O-CB 3.34Å; R500-R536 PolarHBondContact O-N 2.85Å
501	M	91.7	Very high	87.7	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	145.7	-176.8	-56	-58.9	-73.1	0	0	111.2	N499 L527 M533 F534 Y535 R536 V598 K599 A600 R601	N499-M501 PolarHBondContact O-N 3.49Å; M501-L527 HydrophobicContact CE-CD1 3.51Å; M501-L527 HydrophobicContact CE-CD2 3.42Å; M501-L527 VanDerWaalsContact CE-CD2 3.42Å; M501-L527 HydrophobicContact CE-CG 4.11Å; M501-M533 HydrophobicContact CB-CE 3.55Å; M501-M533 HydrophobicContact CE-CB 3.76Å; M501-M533 HydrophobicContact CE-CE 4.43Å; M501-M533 HydrophobicContact CG-CE 3.82Å; M501-F534 CarbonylContact C-O 3.58Å; M501-F534 VanDerWaalsContact CA-O 3.31Å; M501-F534 WeakPolarHBondContact CA-O 3.36Å; M501-Y535 HydrophobicContact CE-CD1 4.21Å; M501-Y535 HydrophobicContact CE-CD2 4.25Å; M501-Y535 HydrophobicContact CE-CE1 4.32Å; M501-Y535 HydrophobicContact CE-CE2 4.38Å; M501-Y535 HydrophobicContact CE-CG 4.15Å; M501-Y535 HydrophobicContact SD-CD1 3.25Å; M501-Y535 WeakPolarHBondContact SD-CD1 3.41Å; M501-Y535 HydrophobicContact SD-CD2 4.33Å; M501-Y535 HydrophobicContact SD-CE1 3.48Å; M501-Y535 WeakPolarHBondContact SD-CE1 3.47Å; M501-Y535 HydrophobicContact SD-CG 3.71Å; M501-R536 PolarHBondContact O-NH2 3.17Å; M501-V598 HydrophobicContact CB-CG1 4.04Å; M501-V598 HydrophobicContact CG-CG1 3.69Å; M501-V598 HydrophobicContact CG-CG2 4.38Å; M501-K599 PolarHBondContact N-O 2.95Å; M501-A600 CarbonylContact O-C 3.57Å; M501-A600 WeakPolarHBondContact O-CA 3.48Å; M501-R601 PolarHBondContact O-N 3.26Å
502	D	92.7	Very high	88	Confident	7 Å²	7	38.3 Å²	38.3	4%	0.037	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	131.2	173.9	-83	-6.6	0	0	0	109.6	P504 F534 R536 R601 Y603	D502-P504 WeakPolarHBondContact O-CD 3.28Å; D502-F534 PolarHBondContact N-O 3.26Å; D502-F534 PolarHBondContact O-N 3.14Å; D502-R536 IonicContact OD1-CZ 3.84Å; D502-R536 VanDerWaalsContact OD1-CZ 3.3Å; D502-R536 IonicContact OD1-NE 2.8Å; D502-R536 PolarHBondContact OD1-NE 3.3Å; D502-R536 IonicContact OD1-NH2 3.91Å; D502-R536 PolarHBondContact OD1-NH2 2.92Å; D502-R536 IonicContact OD2-NE 3.41Å; D502-R601 IonicContact OD1-CZ 3.44Å; D502-R601 VanDerWaalsContact OD1-CZ 3.23Å; D502-R601 IonicContact OD1-NE 2.96Å; D502-R601 PolarHBondContact OD1-NE 3.15Å; D502-R601 IonicContact OD1-NH2 3.98Å; D502-R601 PolarHBondContact OD1-NH2 3.35Å; D502-R601 IonicContact OD2-CZ 3.49Å; D502-R601 IonicContact OD2-NE 2.7Å; D502-R601 IonicContact OD2-NH2 2.72Å; D502-R601 PolarHBondContact OD2-NH2 3.25Å; D502-Y603 HydrophobicContact CB-CE1 3.9Å
503	I	92.4	Very high	88.7	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	93.8	177.5	-52.6	-174.7	0	0	0	107.5	L531 M533 L587 A600 R601 V602 Y603 F648	I503-L531 HydrophobicContact CG2-CB 3.75Å; I503-L531 HydrophobicContact CG2-CD1 4.19Å; I503-M533 HydrophobicContact CD1-CE 3.99Å; I503-M533 HydrophobicContact CD1-CG 4.07Å; I503-M533 HydrophobicContact CD1-SD 4.27Å; I503-M533 HydrophobicContact CG1-CE 4.3Å; I503-M533 HydrophobicContact CG1-CG 4.03Å; I503-L587 HydrophobicContact CD1-CD2 3.75Å; I503-A600 HydrophobicContact CD1-CB 3.9Å; I503-A600 HydrophobicContact CG1-CB 4.37Å; I503-R601 PolarHBondContact N-O 3.34Å; I503-V602 HydrophobicContact CB-CG2 4.13Å; I503-V602 HydrophobicContact CD1-CG2 4.2Å; I503-V602 WeakPolarHBondContact O-CA 3.28Å; I503-Y603 PolarHBondContact O-N 3.31Å; I503-Y603 VanDerWaalsContact O-N 3.17Å; I503-F648 HydrophobicContact CG2-CZ 4.34Å
504	P	93.4	Very high	89.2	Confident	4 Å²	4	40.3 Å²	40.3	3%	0.026	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	133.1	-178.9	29.2	-31.1	0	0	0	111.6	D502 L506 F534 A552 F556 Y603	D502-P504 WeakPolarHBondContact O-CD 3.28Å; P504-L506 HydrophobicContact CB-CD1 3.74Å; P504-F534 HydrophobicContact CG-CD2 3.97Å; P504-F534 HydrophobicContact CG-CE2 3.79Å; P504-A552 HydrophobicContact CG-CB 4.38Å; P504-F556 HydrophobicContact CB-CE2 3.86Å; P504-F556 HydrophobicContact CB-CZ 4.28Å; P504-F556 HydrophobicContact CG-CE2 3.61Å; P504-F556 HydrophobicContact CG-CZ 3.81Å; P504-Y603 HydrophobicContact CB-CD2 4.47Å; P504-Y603 HydrophobicContact CB-CE2 3.62Å
505	I	93	Very high	90	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	105.3	168.3	-54.6	178.9	0	0	0	107.6	I516 L531 L582 V602 Y603 I604 L605 L643 F648	I505-I516 HydrophobicContact CG2-CG2 4.15Å; I505-L531 HydrophobicContact CD1-CD1 4.1Å; I505-L531 HydrophobicContact CG1-CD1 3.67Å; I505-L582 HydrophobicContact CD1-CD1 4.31Å; I505-V602 HydrophobicContact CD1-CG1 3.78Å; I505-V602 HydrophobicContact CG1-CG1 4.33Å; I505-Y603 PolarHBondContact N-O 2.94Å; I505-I604 HydrophobicContact CB-CG1 4.32Å; I505-I604 CarbonylContact O-C 3.57Å; I505-I604 WeakPolarHBondContact O-CA 3.5Å; I505-L605 PolarHBondContact O-N 2.98Å; I505-L643 HydrophobicContact CD1-CD2 3.65Å; I505-L643 HydrophobicContact CG2-CD1 4.26Å; I505-L643 HydrophobicContact CG2-CD2 4.31Å; I505-F648 HydrophobicContact CD1-CE2 3.96Å; I505-F648 HydrophobicContact CD1-CZ 4.37Å
506	L	93.9	Very high	90.7	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.01	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	122.7	177.6	-79.6	66.8	0	0	0	108.7	P504 I516 L517 F556 V607 L613 W629	P504-L506 HydrophobicContact CB-CD1 3.74Å; L506-I516 WeakPolarHBondContact O-CA 3.14Å; L506-L517 HydrophobicContact CB-CB 3.93Å; L506-L517 HydrophobicContact CD2-CD2 3.91Å; L506-L517 PolarHBondContact O-N 2.95Å; L506-F556 HydrophobicContact CD1-CE2 3.99Å; L506-F556 HydrophobicContact CD1-CZ 4Å; L506-F556 HydrophobicContact CD2-CD1 4.47Å; L506-F556 HydrophobicContact CD2-CE1 4.39Å; L506-F556 HydrophobicContact CD2-CZ 4.48Å; L506-V607 HydrophobicContact CB-CG2 4.2Å; L506-V607 HydrophobicContact CG-CG2 4.28Å; L506-L613 HydrophobicContact CD2-CB 4.32Å; L506-L613 HydrophobicContact CD2-CD1 4.25Å; L506-L613 HydrophobicContact CD2-CD2 4.07Å; L506-L613 HydrophobicContact CD2-CG 4.47Å; L506-W629 HydrophobicContact CB-CH2 4Å; L506-W629 HydrophobicContact CB-CZ3 4.4Å
507	L	93.3	Very high	91.2	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	123.8	-177.5	176.1	68.2	0	0	0	109.2	R514 Q515 I516 L605 T606 V607 L637 I719 M721	L507-R514 HydrophobicContact CD1-CB 4.28Å; L507-Q515 WeakPolarHBondContact CA-O 3.39Å; L507-I516 HydrophobicContact CD1-CG1 3.78Å; L507-L605 PolarHBondContact N-O 3.07Å; L507-T606 HydrophobicContact CD2-CG2 4.4Å; L507-T606 CarbonylContact O-C 3.59Å; L507-T606 WeakPolarHBondContact O-CA 3.27Å; L507-V607 PolarHBondContact O-N 3.14Å; L507-L637 HydrophobicContact CD1-CD1 3.72Å; L507-I719 HydrophobicContact CD2-CG2 3.44Å; L507-I719 VanDerWaalsContact CD2-CG2 3.44Å; L507-M721 HydrophobicContact CD1-SD 4.12Å; L507-M721 HydrophobicContact CD2-CE 4.38Å; L507-M721 HydrophobicContact CD2-CG 4.24Å; L507-M721 HydrophobicContact CD2-SD 3.78Å; L507-M721 HydrophobicContact CG-CE 3.89Å; L507-M721 HydrophobicContact CG-SD 3.66Å
508	R	93.7	Very high	91.3	Very high	18 Å²	18	34.3 Å²	34.3	7%	0.068	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	158.5	174.9	76.7	178.8	-178.3	166.8	5.9	111.4	Q515 V607 Y614 N615 W629 M721	R508-Q515 HydrophobicContact CG-CB 4.04Å; R508-Q515 VanDerWaalsContact CZ-OE1 3.26Å; R508-Q515 PolarHBondContact N-O 3.2Å; R508-Q515 PolarHBondContact O-N 3.06Å; R508-V607 HydrophobicContact CB-CB 4.05Å; R508-Y614 HydrophobicContact CB-CD2 4.14Å; R508-Y614 HydrophobicContact CB-CE2 4.05Å; R508-Y614 HydrophobicContact CG-CE2 4.44Å; R508-Y614 PolarHBondContact NH1-O 3.35Å; R508-N615 PolarHBondContact NH1-OD1 3.12Å; R508-W629 HydrophobicContact CB-CH2 4.08Å; R508-W629 HydrophobicContact CB-CZ3 4.06Å; R508-W629 HydrophobicContact CG-CD2 4.27Å; R508-W629 HydrophobicContact CG-CE3 3.8Å; R508-W629 HydrophobicContact CG-CH2 3.89Å; R508-W629 HydrophobicContact CG-CZ2 4.35Å; R508-W629 HydrophobicContact CG-CZ3 3.59Å; R508-W629 VanDerWaalsContact CZ-CD1 3.41Å; R508-W629 VanDerWaalsContact NE-CD2 3.28Å; R508-M721 VanDerWaalsContact CA-CE 3.47Å
509	R	91.4	Very high	91	Very high	83 Å²	83	32.6 Å²	32.6	31%	0.313	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	124.1	165.7	-178.7	176.4	-85.9	152.5	-8.8	107.5	T513 Y614 M721	R509-T513 CarbonylContact C-O 3.49Å; R509-T513 WeakPolarHBondContact CA-O 3.3Å; R509-Y614 WeakPolarHBondContact O-CE2 3.25Å; R509-Y614 PolarHBondContact O-OH 2.99Å; R509-M721 HydrophobicContact CB-CE 4Å; R509-M721 HydrophobicContact CB-SD 4.29Å; R509-M721 PolarHBondContact NH1-O 3.1Å
510	Y	91.4	Very high	90.3	Very high	87 Å²	87	35.3 Å²	35.3	34%	0.341	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	123.6	-178.7	-173.4	-93.9	0	0	0	108.9	G512 T513 Y614	Y510-G512 VanDerWaalsContact C-N 3.31Å; Y510-G512 PolarHBondContact O-N 2.86Å; Y510-T513 PolarHBondContact N-O 2.94Å; Y510-T513 PolarHBondContact O-N 2.85Å; Y510-T513 PolarHBondContact O-OG1 3.21Å; Y510-Y614 HydrophobicContact CD2-CE1 4.04Å; Y510-Y614 AromaticContact CD2-CZ 3.95Å; Y510-Y614 WeakPolarHBondContact CD2-OH 3.45Å; Y510-Y614 HydrophobicContact CE2-CE1 4.47Å
511	N	87	Confident	88.8	Confident	138 Å²	138	29.7 Å²	29.7	74%	0.738	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.2	49.2	-175.4	-67.9	-2.9	0	0	0	113.1	T513	N511-T513 PolarHBondContact O-N 3.37Å; N511-T513 VanDerWaalsContact O-N 3.07Å
512	G	85.2	Confident	86.7	Confident	59 Å²	59	35.5 Å²	35.5	61%	0.608	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.9	-9.3	179.6	0	0	0	0	0	115.6	Y510	Y510-G512 VanDerWaalsContact C-N 3.31Å; Y510-G512 PolarHBondContact O-N 2.86Å
513	T	89.5	Confident	84.4	Confident	57 Å²	57	37.9 Å²	37.9	35%	0.35	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	149.4	179.4	66.2	0	0	0	0	112.1	R509 Y510 N511 S631	R509-T513 CarbonylContact C-O 3.49Å; R509-T513 WeakPolarHBondContact CA-O 3.3Å; Y510-T513 PolarHBondContact N-O 2.94Å; Y510-T513 PolarHBondContact O-N 2.85Å; Y510-T513 PolarHBondContact O-OG1 3.21Å; N511-T513 PolarHBondContact O-N 3.37Å; N511-T513 VanDerWaalsContact O-N 3.07Å; T513-S631 PolarHBondContact OG1-OG 2.76Å
514	R	91.4	Very high	82	Confident	28 Å²	28	43.5 Å²	43.5	11%	0.106	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	131.5	171.5	-65.6	-179.2	-173.7	-142.2	-10.7	110.1	L507 S631 F632 D634 L637 I719 M721	L507-R514 HydrophobicContact CD1-CB 4.28Å; R514-S631 WeakPolarHBondContact O-CA 3.48Å; R514-F632 PolarHBondContact O-N 3.3Å; R514-D634 VanDerWaalsContact CD-OD1 3.26Å; R514-D634 WeakPolarHBondContact CD-OD1 3.42Å; R514-D634 VanDerWaalsContact CG-OD1 3.26Å; R514-D634 WeakPolarHBondContact CG-OD1 3.43Å; R514-D634 IonicContact NE-OD1 2.97Å; R514-D634 PolarHBondContact NE-OD1 3.28Å; R514-L637 HydrophobicContact CB-CD1 3.81Å; R514-L637 PolarHBondContact NH1-O 2.56Å; R514-I719 PolarHBondContact NH1-O 2.95Å; R514-I719 PolarHBondContact NH2-O 2.88Å; R514-M721 HydrophobicContact CB-SD 4.45Å; R514-M721 HydrophobicContact CG-SD 3.76Å
515	Q	92.9	Very high	79.4	Confident	19 Å²	19	44.2 Å²	44.2	9%	0.089	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	139	179.7	-61	-170.8	-34	0	0	111.7	L507 R508 W629 R630 S631	L507-Q515 WeakPolarHBondContact CA-O 3.39Å; R508-Q515 HydrophobicContact CG-CB 4.04Å; R508-Q515 VanDerWaalsContact CZ-OE1 3.26Å; R508-Q515 PolarHBondContact N-O 3.2Å; R508-Q515 PolarHBondContact O-N 3.06Å; Q515-W629 HydrophobicContact CB-CB 4.41Å; Q515-W629 HydrophobicContact CB-CE3 3.95Å; Q515-R630 CarbonylContact C-O 3.57Å; Q515-R630 WeakPolarHBondContact CA-O 3.49Å; Q515-S631 WeakPolarHBondContact CG-OG 3.39Å; Q515-S631 PolarHBondContact NE2-OG 3.35Å
516	I	92	Very high	77	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	138.2	171.6	-64.1	176.2	0	0	0	109.1	I505 L506 L507 V518 R630 F632 L637 L643 M647	I505-I516 HydrophobicContact CG2-CG2 4.15Å; L506-I516 WeakPolarHBondContact O-CA 3.14Å; L507-I516 HydrophobicContact CD1-CG1 3.78Å; I516-V518 HydrophobicContact CB-CG1 4.34Å; I516-V518 HydrophobicContact CG2-CG1 3.88Å; I516-V518 PolarHBondContact O-N 3.19Å; I516-R630 PolarHBondContact N-O 2.87Å; I516-R630 PolarHBondContact O-N 2.87Å; I516-F632 HydrophobicContact CB-CD2 4.22Å; I516-F632 HydrophobicContact CB-CE2 3.89Å; I516-F632 HydrophobicContact CD1-CD2 4.3Å; I516-F632 HydrophobicContact CD1-CE2 4.31Å; I516-F632 HydrophobicContact CG1-CD2 4.24Å; I516-F632 HydrophobicContact CG1-CE2 4.31Å; I516-L637 HydrophobicContact CD1-CD1 3.83Å; I516-L637 HydrophobicContact CD1-CD2 3.56Å; I516-L637 HydrophobicContact CD1-CG 4.38Å; I516-L637 HydrophobicContact CG1-CD1 3.99Å; I516-L643 HydrophobicContact CD1-CD1 4.22Å; I516-L643 HydrophobicContact CD1-CG 4.44Å; I516-M647 HydrophobicContact CD1-CG 4.33Å; I516-M647 HydrophobicContact CD1-SD 3.82Å; I516-M647 HydrophobicContact CG2-CE 4.05Å; I516-M647 HydrophobicContact CG2-SD 4.37Å
517	L	92.3	Very high	74.7	Confident	3 Å²	3	49 Å²	49	2%	0.016	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	109.1	172.1	-167	69.3	0	0	0	109	L506 F556 L616 L618 Y627 E628 W629	L506-L517 HydrophobicContact CB-CB 3.93Å; L506-L517 HydrophobicContact CD2-CD2 3.91Å; L506-L517 PolarHBondContact O-N 2.95Å; L517-F556 HydrophobicContact CD2-CD1 4.27Å; L517-F556 HydrophobicContact CD2-CE1 3.71Å; L517-L616 HydrophobicContact CD2-CD1 3.9Å; L517-L618 HydrophobicContact CD1-CD1 4.07Å; L517-L618 HydrophobicContact CD1-CD2 3.9Å; L517-Y627 HydrophobicContact CB-CD1 4.5Å; L517-Y627 HydrophobicContact CD1-CD1 4.45Å; L517-Y627 HydrophobicContact CD2-CD1 4.03Å; L517-Y627 HydrophobicContact CD2-CG 4.23Å; L517-Y627 HydrophobicContact CG-CD1 3.61Å; L517-Y627 HydrophobicContact CG-CE1 4.34Å; L517-Y627 HydrophobicContact CG-CG 4.07Å; L517-E628 WeakPolarHBondContact CA-O 3.41Å; L517-W629 HydrophobicContact CB-CD2 4.18Å; L517-W629 HydrophobicContact CB-CE3 3.83Å; L517-W629 HydrophobicContact CB-CH2 3.87Å; L517-W629 HydrophobicContact CB-CZ2 4.2Å; L517-W629 HydrophobicContact CB-CZ3 3.67Å; L517-W629 HydrophobicContact CD1-CD2 3.72Å; L517-W629 HydrophobicContact CD1-CE3 4.26Å; L517-W629 HydrophobicContact CD1-CG 3.99Å; L517-W629 HydrophobicContact CD1-CZ2 4.08Å; L517-W629 HydrophobicContact CG-CZ2 4.48Å
518	V	88.7	Confident	72.5	Confident	13 Å²	13	56.5 Å²	56.5	8%	0.079	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	137.6	-176.6	-59.5	0	0	0	0	110.4	I516 T520 Y627 E628 R630 M647	I516-V518 HydrophobicContact CB-CG1 4.34Å; I516-V518 HydrophobicContact CG2-CG1 3.88Å; I516-V518 PolarHBondContact O-N 3.19Å; V518-T520 HydrophobicContact CG2-CG2 4.36Å; V518-T520 PolarHBondContact O-N 3.03Å; V518-Y627 CarbonylContact O-C 3.34Å; V518-Y627 VanDerWaalsContact O-CA 3.28Å; V518-Y627 WeakPolarHBondContact O-CA 3.44Å; V518-Y627 WeakPolarHBondContact O-CD1 3.47Å; V518-E628 HydrophobicContact CG2-CG 3.96Å; V518-E628 PolarHBondContact N-O 3.1Å; V518-E628 PolarHBondContact O-N 3.19Å; V518-R630 HydrophobicContact CG2-CB 4.1Å; V518-R630 HydrophobicContact CG2-CG 3.56Å; V518-M647 HydrophobicContact CG1-CE 3.86Å
519	A	83.8	Confident	70.4	Confident	30 Å²	30	56.6 Å²	56.6	25%	0.248	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	120.7	172.1	0	0	0	0	0	108.1	A532 L625 Y627	A519-A532 HydrophobicContact CB-CB 3.94Å; A519-L625 HydrophobicContact CB-CB 4.4Å; A519-Y627 HydrophobicContact CB-CD1 3.98Å; A519-Y627 HydrophobicContact CB-CE1 3.81Å; A519-Y627 HydrophobicContact CB-CE2 4.35Å; A519-Y627 HydrophobicContact CB-CG 4.39Å; A519-Y627 VanDerWaalsContact N-CD1 3.32Å
520	T	73.8	Confident	68.8	Low	58 Å²	58	54.4 Å²	54.4	36%	0.356	30%	0.3	S	S	.	.			trans	-101.6	-11.4	170.6	57.2	0	0	0	0	112.4	V518 Q522 H626 E628	V518-T520 HydrophobicContact CG2-CG2 4.36Å; V518-T520 PolarHBondContact O-N 3.03Å; T520-Q522 PolarHBondContact O-N 3.32Å; T520-H626 PolarHBondContact N-O 2.99Å; T520-H626 PolarHBondContact OG1-O 3.29Å; T520-E628 HydrophobicContact CG2-CG 3.7Å; T520-E628 WeakPolarHBondContact CG2-OE1 3.39Å
521	G	61.1	Low	67.9	Low	16 Å²	16	51 Å²	51	17%	0.165	29%	0.288	C	S	.	.	S	Bend	trans	-61	124.2	168.2	0	0	0	0	0	108.2	D523 L625	G521-D523 PolarHBondContact O-N 3.01Å; G521-L625 VanDerWaalsContact CA-O 3.32Å; G521-L625 WeakPolarHBondContact CA-O 3.45Å; G521-L625 PolarHBondContact N-O 3.02Å
522	Q	48.5	Very low	67.6	Low	123 Å²	123	44.9 Å²	44.9	58%	0.575	26%	0.257	S	S	*	.			trans	-61.2	107.8	156.7	-66.3	-173.7	-13.3	0	0	105.5	T520 K524	T520-Q522 PolarHBondContact O-N 3.32Å; Q522-K524 VanDerWaalsContact C-N 3.3Å; Q522-K524 WeakPolarHBondContact O-CG 3.43Å; Q522-K524 PolarHBondContact O-N 2.92Å
523	D	43.8	Very low	67.7	Low	56 Å²	56	42.6 Å²	42.6	30%	0.299	23%	0.23	S	C	.	.			trans	-60.7	107.2	162.7	-168.1	23.5	0	0	0	105.2	G521 G525 L527 L625	G521-D523 PolarHBondContact O-N 3.01Å; D523-G525 PolarHBondContact O-N 2.74Å; D523-L527 PolarHBondContact OD2-N 3.38Å; D523-L625 HydrophobicContact CB-CD2 4.14Å
524	K	41.6	Very low	67.7	Low	119 Å²	119	40.2 Å²	40.2	52%	0.517	22%	0.215	S	C	.	.	S	Bend	trans	-73.9	42.4	-163.7	-80.2	-166.1	179	-174.5	0	112.3	I314 Q522	I314-K524 CarbonylContact C-O 3.55Å; I314-K524 VanDerWaalsContact CA-O 3.27Å; I314-K524 WeakPolarHBondContact CA-O 3.42Å; I314-K524 WeakPolarHBondContact O-CB 3.47Å; I314-K524 VanDerWaalsContact O-O 3.13Å; Q522-K524 VanDerWaalsContact C-N 3.3Å; Q522-K524 WeakPolarHBondContact O-CG 3.43Å; Q522-K524 PolarHBondContact O-N 2.92Å
525	G	38.3	Very low	67.6	Low	19 Å²	19	39.8 Å²	39.8	20%	0.196	21%	0.213	C	C	.	.	S	Bend	trans	149.7	-4.3	161.1	0	0	0	0	0	119.6	D523	D523-G525 PolarHBondContact O-N 2.74Å
526	Q	43.7	Very low	67.6	Low	85 Å²	85	40.7 Å²	40.7	40%	0.397	22%	0.216	S	C	.	.	S	Bend	trans	-129.8	-28.1	-172.4	-70	-168.6	-12.3	0	0	117.3	I492 H589	I492-Q526 HydrophobicContact CB-CG 4.25Å; I492-Q526 HydrophobicContact CD1-CB 3.92Å; I492-Q526 HydrophobicContact CD1-CG 4.01Å; I492-Q526 WeakPolarHBondContact CD1-O 3.49Å; I492-Q526 HydrophobicContact CG2-CG 4.36Å; Q526-H589 PolarHBondContact O-CE1 2.83Å
527	L	46.1	Very low	67.4	Low	19 Å²	19	44.6 Å²	44.6	10%	0.099	23%	0.233	C	C	.	.			trans	-131.7	65.1	-179.2	-68.2	162.8	0	0	0	111	W493 M501 D523 G529 M533	W493-L527 HydrophobicContact CH2-CD2 3.93Å; W493-L527 HydrophobicContact CZ3-CD2 3.7Å; M501-L527 HydrophobicContact CE-CD1 3.51Å; M501-L527 HydrophobicContact CE-CD2 3.42Å; M501-L527 VanDerWaalsContact CE-CD2 3.42Å; M501-L527 HydrophobicContact CE-CG 4.11Å; D523-L527 PolarHBondContact OD2-N 3.38Å; L527-G529 PolarHBondContact O-N 3.34Å; L527-M533 HydrophobicContact CB-CB 4.15Å; L527-M533 HydrophobicContact CD1-CB 4.28Å; L527-M533 WeakPolarHBondContact CD1-O 3.24Å; L527-M533 HydrophobicContact CD2-CB 4.15Å; L527-M533 HydrophobicContact CD2-SD 4.34Å; L527-M533 HydrophobicContact CG-CB 4.41Å
528	K	46.5	Very low	67.1	Low	156 Å²	156	45.7 Å²	45.7	68%	0.678	24%	0.24	S	C	*	.			trans	-67.1	69.2	162.7	-83.4	-170.5	177.4	179	0	109.2
529	G	49.8	Very low	66.9	Low	20 Å²	20	55 Å²	55	21%	0.206	28%	0.279	C	S	.	.			trans	-84.3	163.6	160.6	0	0	0	0	0	110.5	L527 L531	L527-G529 PolarHBondContact O-N 3.34Å; G529-L531 CarbonylContact C-O 3.52Å; G529-L531 PolarHBondContact O-N 2.66Å; G529-L531 VanDerWaalsContact O-N 3.11Å
530	P	56.7	Low	66.9	Low	37 Å²	37	57.3 Å²	57.3	24%	0.24	29%	0.291	C	S	.	.	S	Bend	trans	-53.1	-28.7	170.1	19.1	-32.1	0	0	0	112.8	F648 E652	P530-F648 HydrophobicContact CB-CB 4.4Å; P530-F648 HydrophobicContact CB-CD1 3.42Å; P530-F648 VanDerWaalsContact CB-CD1 3.42Å; P530-F648 HydrophobicContact CB-CE1 3.79Å; P530-F648 HydrophobicContact CB-CG 4.03Å; P530-F648 HydrophobicContact CG-CD1 3.15Å; P530-F648 HydrophobicContact CG-CE1 3.19Å; P530-F648 HydrophobicContact CG-CG 4.21Å; P530-F648 HydrophobicContact CG-CZ 4.3Å; P530-E652 VanDerWaalsContact CB-OE2 3.28Å; P530-E652 WeakPolarHBondContact CB-OE2 3.45Å; P530-E652 WeakPolarHBondContact CG-OE2 3.44Å
531	L	72.8	Confident	67	Low	17 Å²	17	58.5 Å²	58.5	9%	0.089	30%	0.301	C	S	.	.	S	Bend	trans	-136.6	161.2	168.1	-68.9	168.9	0	0	0	108	I503 I505 G529 M533 M647 F648	I503-L531 HydrophobicContact CG2-CB 3.75Å; I503-L531 HydrophobicContact CG2-CD1 4.19Å; I505-L531 HydrophobicContact CD1-CD1 4.1Å; I505-L531 HydrophobicContact CG1-CD1 3.67Å; G529-L531 CarbonylContact C-O 3.52Å; G529-L531 PolarHBondContact O-N 2.66Å; G529-L531 VanDerWaalsContact O-N 3.11Å; L531-M533 WeakPolarHBondContact O-CG 3.31Å; L531-M533 PolarHBondContact O-N 2.79Å; L531-M647 HydrophobicContact CD1-CB 4.4Å; L531-M647 HydrophobicContact CD1-CE 3.95Å; L531-M647 HydrophobicContact CD2-CE 3.32Å; L531-M647 HydrophobicContact CG-CE 4.05Å; L531-F648 HydrophobicContact CD1-CE2 4.43Å; L531-F648 HydrophobicContact CD1-CZ 4.3Å
532	A	81.5	Confident	67.7	Low	9 Å²	9	65 Å²	65	7%	0.074	33%	0.327	C	S	.	.			trans	-55.8	132.4	176.4	0	0	0	0	0	111.1	A519 F534 L625 Y627	A519-A532 HydrophobicContact CB-CB 3.94Å; A532-F534 HydrophobicContact CB-CE2 4.43Å; A532-L625 HydrophobicContact CB-CD1 3.86Å; A532-Y627 WeakPolarHBondContact CB-OH 3.37Å
533	M	86.6	Confident	68.8	Low	10 Å²	10	63.4 Å²	63.4	5%	0.049	32%	0.322	C	S	.	.			trans	-106.9	142.7	-176.2	-51.3	-177.7	56.3	0	0	109.1	M501 I503 L527 L531 V598	M501-M533 HydrophobicContact CB-CE 3.55Å; M501-M533 HydrophobicContact CE-CB 3.76Å; M501-M533 HydrophobicContact CE-CE 4.43Å; M501-M533 HydrophobicContact CG-CE 3.82Å; I503-M533 HydrophobicContact CD1-CE 3.99Å; I503-M533 HydrophobicContact CD1-CG 4.07Å; I503-M533 HydrophobicContact CD1-SD 4.27Å; I503-M533 HydrophobicContact CG1-CE 4.3Å; I503-M533 HydrophobicContact CG1-CG 4.03Å; L527-M533 HydrophobicContact CB-CB 4.15Å; L527-M533 HydrophobicContact CD1-CB 4.28Å; L527-M533 WeakPolarHBondContact CD1-O 3.24Å; L527-M533 HydrophobicContact CD2-CB 4.15Å; L527-M533 HydrophobicContact CD2-SD 4.34Å; L527-M533 HydrophobicContact CG-CB 4.41Å; L531-M533 WeakPolarHBondContact O-CG 3.31Å; L531-M533 PolarHBondContact O-N 2.79Å; M533-V598 HydrophobicContact CE-CG1 3.79Å
534	F	90.1	Very high	70.4	Confident	7 Å²	7	64 Å²	64	3%	0.031	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	138.5	176.5	-61.6	-93.1	0	0	0	109.5	M501 D502 P504 A532 R536 A552 Y555 F556 L625 Y627	M501-F534 CarbonylContact C-O 3.58Å; M501-F534 VanDerWaalsContact CA-O 3.31Å; M501-F534 WeakPolarHBondContact CA-O 3.36Å; D502-F534 PolarHBondContact N-O 3.26Å; D502-F534 PolarHBondContact O-N 3.14Å; P504-F534 HydrophobicContact CG-CD2 3.97Å; P504-F534 HydrophobicContact CG-CE2 3.79Å; A532-F534 HydrophobicContact CB-CE2 4.43Å; F534-R536 PolarHBondContact O-N 2.77Å; F534-A552 HydrophobicContact CB-CB 3.94Å; F534-A552 HydrophobicContact CD1-CB 4.3Å; F534-A552 HydrophobicContact CD2-CB 3.72Å; F534-A552 HydrophobicContact CE2-CB 4.3Å; F534-A552 HydrophobicContact CG-CB 3.71Å; F534-Y555 AromaticContact CE1-CD1 3.7Å; F534-Y555 HydrophobicContact CE1-CD1 3.7Å; F534-Y555 HydrophobicContact CE1-CD2 4.06Å; F534-Y555 HydrophobicContact CE1-CE1 4.45Å; F534-Y555 AromaticContact CE1-CG 3.49Å; F534-Y555 HydrophobicContact CE1-CG 3.49Å; F534-Y555 VanDerWaalsContact CE1-CG 3.49Å; F534-Y555 AromaticContact CZ-CD1 3.63Å; F534-Y555 HydrophobicContact CZ-CD1 3.63Å; F534-Y555 HydrophobicContact CZ-CE1 4.16Å; F534-Y555 AromaticContact CZ-CG 3.94Å; F534-Y555 HydrophobicContact CZ-CG 3.94Å; F534-F556 HydrophobicContact CE2-CZ 4.44Å; F534-L625 HydrophobicContact CE1-CD1 3.87Å; F534-L625 HydrophobicContact CZ-CD1 3.56Å; F534-Y627 WeakPolarHBondContact CE2-OH 3.33Å; F534-Y627 HydrophobicContact CZ-CE2 4.22Å
535	Y	89.8	Confident	71.9	Confident	19 Å²	19	66.9 Å²	66.9	8%	0.075	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	134.7	167.5	-74.7	-80.1	0	0	0	109.3	W493 I494 N499 M501 K537 W547 E549 D551	W493-Y535 HydrophobicContact CE3-CE1 4.21Å; W493-Y535 VanDerWaalsContact CE3-OH 3.31Å; I494-Y535 HydrophobicContact CB-CE1 4.27Å; I494-Y535 HydrophobicContact CD1-CD1 3.54Å; I494-Y535 HydrophobicContact CD1-CE1 3.79Å; I494-Y535 HydrophobicContact CD1-CG 4.13Å; I494-Y535 HydrophobicContact CG1-CD1 3.89Å; I494-Y535 HydrophobicContact CG1-CE1 3.56Å; I494-Y535 HydrophobicContact CG2-CD1 4.4Å; I494-Y535 HydrophobicContact CG2-CD2 4.29Å; I494-Y535 HydrophobicContact CG2-CE1 3.94Å; I494-Y535 HydrophobicContact CG2-CE2 3.79Å; I494-Y535 PolarHBondContact N-OH 2.92Å; N499-Y535 HydrophobicContact CB-CE1 4.26Å; M501-Y535 HydrophobicContact CE-CD1 4.21Å; M501-Y535 HydrophobicContact CE-CD2 4.25Å; M501-Y535 HydrophobicContact CE-CE1 4.32Å; M501-Y535 HydrophobicContact CE-CE2 4.38Å; M501-Y535 HydrophobicContact CE-CG 4.15Å; M501-Y535 HydrophobicContact SD-CD1 3.25Å; M501-Y535 WeakPolarHBondContact SD-CD1 3.41Å; M501-Y535 HydrophobicContact SD-CD2 4.33Å; M501-Y535 HydrophobicContact SD-CE1 3.48Å; M501-Y535 WeakPolarHBondContact SD-CE1 3.47Å; M501-Y535 HydrophobicContact SD-CG 3.71Å; Y535-K537 PolarHBondContact O-N 2.72Å; Y535-W547 WeakPolarHBondContact O-CH2 3.44Å; Y535-E549 HydrophobicContact CD2-CB 4.39Å; Y535-E549 HydrophobicContact CD2-CG 4.09Å; Y535-D551 WeakPolarHBondContact O-CB 3.26Å
536	R	91.2	Very high	73.1	Confident	38 Å²	38	70 Å²	70	14%	0.143	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-79.1	120.5	176.7	-175.4	-176.8	-58.2	140	23	109.1	R500 M501 D502 F534 W547 R601	R500-R536 HydrophobicContact CB-CB 3.94Å; R500-R536 WeakPolarHBondContact O-CB 3.34Å; R500-R536 PolarHBondContact O-N 2.85Å; M501-R536 PolarHBondContact O-NH2 3.17Å; D502-R536 IonicContact OD1-CZ 3.84Å; D502-R536 VanDerWaalsContact OD1-CZ 3.3Å; D502-R536 IonicContact OD1-NE 2.8Å; D502-R536 PolarHBondContact OD1-NE 3.3Å; D502-R536 IonicContact OD1-NH2 3.91Å; D502-R536 PolarHBondContact OD1-NH2 2.92Å; D502-R536 IonicContact OD2-NE 3.41Å; F534-R536 PolarHBondContact O-N 2.77Å; R536-W547 VanDerWaalsContact C-CH2 3.47Å; R536-W547 WeakPolarHBondContact O-CH2 2.98Å; R536-R601 VanDerWaalsContact NE-NH2 3.16Å
537	K	89.3	Confident	74.5	Confident	83 Å²	83	68.2 Å²	68.2	36%	0.361	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-50.5	125.6	174.6	-165.2	168.4	-169	162	0	111.2	Y535 L544 W547 D551 D554	Y535-K537 PolarHBondContact O-N 2.72Å; K537-L544 HydrophobicContact CG-CD2 3.96Å; K537-W547 HydrophobicContact CB-CZ2 4.15Å; K537-W547 HydrophobicContact CG-CZ2 4.48Å; K537-D551 HydrophobicContact CB-CB 4.09Å; K537-D551 WeakPolarHBondContact CB-OD2 3.34Å; K537-D554 IonicContact NZ-OD2 2.84Å; K537-D554 PolarHBondContact NZ-OD2 3.37Å
538	P	86.3	Confident	76	Confident	26 Å²	26	72.2 Å²	72.2	17%	0.169	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-68.4	157.3	-179.3	26.1	-32.9	0	0	0	110.4	L543 L544 W547	P538-L543 HydrophobicContact CB-CB 3.6Å; P538-L543 HydrophobicContact CB-CD1 4.07Å; P538-L543 HydrophobicContact CG-CB 3.76Å; P538-L544 HydrophobicContact CG-CD2 3.98Å; P538-L544 HydrophobicContact CG-CG 4.11Å; P538-L544 WeakPolarHBondContact O-CD2 3.49Å; P538-W547 VanDerWaalsContact CD-CD2 3.49Å; P538-W547 VanDerWaalsContact CD-CZ3 3.45Å; P538-W547 HydrophobicContact CG-CB 4.39Å; P538-W547 HydrophobicContact CG-CD2 4.21Å; P538-W547 HydrophobicContact CG-CE3 3.81Å; P538-W547 HydrophobicContact CG-CG 4.49Å; P538-W547 HydrophobicContact CG-CZ3 4.42Å
539	K	83.9	Confident	77.6	Confident	207 Å²	207	67.4 Å²	67.4	90%	0.9	34%	0.34	S	S	*	.			trans	-98.2	-21.4	176.8	-65.7	-172.4	176.3	-171.2	0	113.2
540	T	82.6	Confident	79.3	Confident	79 Å²	79	69.6 Å²	69.6	49%	0.485	35%	0.35	S	S	.	.	S	Bend	trans	-81.7	137.3	-177.5	41	0	0	0	0	110.5	E542 L543 L544	T540-E542 VanDerWaalsContact C-N 3.29Å; T540-E542 PolarHBondContact O-N 2.96Å; T540-L543 PolarHBondContact O-N 2.76Å; T540-L543 WeakPolarHBondContact OG1-CD1 3.46Å; T540-L544 WeakPolarHBondContact O-CG 3.31Å; T540-L544 PolarHBondContact O-N 2.79Å
541	S	77.2	Confident	80.9	Confident	83 Å²	83	68.7 Å²	68.7	58%	0.58	34%	0.343	S	S	*	.	H	α-helix	trans	-58.9	-38.7	-177.5	53.1	0	0	0	0	112.6	L544 K545	S541-L544 PolarHBondContact O-N 3.2Å; S541-K545 WeakPolarHBondContact O-CG 3.45Å; S541-K545 PolarHBondContact O-N 3.01Å; S541-K545 VanDerWaalsContact O-N 3.09Å
542	E	75.7	Confident	81.8	Confident	152 Å²	152	67.9 Å²	67.9	71%	0.71	34%	0.339	S	S	*	.	H	α-helix	trans	-61.7	-48	178.3	-66.5	173.4	-179.2	0	0	112.7	T540 L544 K545	T540-E542 VanDerWaalsContact C-N 3.29Å; T540-E542 PolarHBondContact O-N 2.96Å; E542-L544 VanDerWaalsContact C-N 3.33Å; E542-K545 PolarHBondContact O-N 3.49Å
543	L	72.2	Confident	82.4	Confident	90 Å²	90	68.6 Å²	68.6	47%	0.471	34%	0.341	S	S	.	.	H	α-helix	trans	-70.3	-32	178	-67.2	-179.7	0	0	0	111.7	P538 T540 K545 I546 W547	P538-L543 HydrophobicContact CB-CB 3.6Å; P538-L543 HydrophobicContact CB-CD1 4.07Å; P538-L543 HydrophobicContact CG-CB 3.76Å; T540-L543 PolarHBondContact O-N 2.76Å; T540-L543 WeakPolarHBondContact OG1-CD1 3.46Å; L543-K545 VanDerWaalsContact C-N 3.32Å; L543-K545 PolarHBondContact O-N 3.48Å; L543-I546 HydrophobicContact CD2-CD1 4.13Å; L543-I546 WeakPolarHBondContact O-CG1 3.48Å; L543-I546 PolarHBondContact O-N 3.48Å; L543-W547 WeakPolarHBondContact O-CB 3.38Å; L543-W547 PolarHBondContact O-N 3.36Å; L543-W547 VanDerWaalsContact O-N 3.13Å
544	L	77.5	Confident	82.6	Confident	69 Å²	69	70.5 Å²	70.5	36%	0.361	35%	0.352	S	S	.	.	H	α-helix	trans	-65.4	-33	175.2	-78.5	168.8	0	0	0	112.5	K537 P538 T540 S541 E542 I546 W547	K537-L544 HydrophobicContact CG-CD2 3.96Å; P538-L544 HydrophobicContact CG-CD2 3.98Å; P538-L544 HydrophobicContact CG-CG 4.11Å; P538-L544 WeakPolarHBondContact O-CD2 3.49Å; T540-L544 WeakPolarHBondContact O-CG 3.31Å; T540-L544 PolarHBondContact O-N 2.79Å; S541-L544 PolarHBondContact O-N 3.2Å; E542-L544 VanDerWaalsContact C-N 3.33Å; L544-I546 PolarHBondContact O-N 2.96Å; L544-W547 PolarHBondContact O-N 3.18Å
545	K	71.9	Confident	82.7	Confident	180 Å²	180	70.2 Å²	70.2	78%	0.783	35%	0.351	S	S	*	.	H	α-helix	trans	-63.7	-28.2	176.5	-73	173.2	-177	-178	0	113.1	S541 E542 L543	S541-K545 WeakPolarHBondContact O-CG 3.45Å; S541-K545 PolarHBondContact O-N 3.01Å; S541-K545 VanDerWaalsContact O-N 3.09Å; E542-K545 PolarHBondContact O-N 3.49Å; L543-K545 VanDerWaalsContact C-N 3.32Å; L543-K545 PolarHBondContact O-N 3.48Å
546	I	63.8	Low	82.9	Confident	83 Å²	83	69.3 Å²	69.3	43%	0.426	35%	0.347	S	S	.	.	H	α-helix	trans	-102.2	-3.5	179.8	60.8	170.7	0	0	0	113.5	L543 L544 N548	L543-I546 HydrophobicContact CD2-CD1 4.13Å; L543-I546 WeakPolarHBondContact O-CG1 3.48Å; L543-I546 PolarHBondContact O-N 3.48Å; L544-I546 PolarHBondContact O-N 2.96Å; I546-N548 PolarHBondContact O-N 3.36Å
547	W	74.1	Confident	83	Confident	49 Å²	49	71.2 Å²	71.2	19%	0.186	36%	0.355	C	S	.	.			trans	-72	120.3	-175.9	177.2	-90.3	0	0	0	111.6	I494 Y535 R536 K537 P538 L543 L544 E549 D551	I494-W547 HydrophobicContact CD1-CZ3 4.24Å; Y535-W547 WeakPolarHBondContact O-CH2 3.44Å; R536-W547 VanDerWaalsContact C-CH2 3.47Å; R536-W547 WeakPolarHBondContact O-CH2 2.98Å; K537-W547 HydrophobicContact CB-CZ2 4.15Å; K537-W547 HydrophobicContact CG-CZ2 4.48Å; P538-W547 VanDerWaalsContact CD-CD2 3.49Å; P538-W547 VanDerWaalsContact CD-CZ3 3.45Å; P538-W547 HydrophobicContact CG-CB 4.39Å; P538-W547 HydrophobicContact CG-CD2 4.21Å; P538-W547 HydrophobicContact CG-CE3 3.81Å; P538-W547 HydrophobicContact CG-CG 4.49Å; P538-W547 HydrophobicContact CG-CZ3 4.42Å; L543-W547 WeakPolarHBondContact O-CB 3.38Å; L543-W547 PolarHBondContact O-N 3.36Å; L543-W547 VanDerWaalsContact O-N 3.13Å; L544-W547 PolarHBondContact O-N 3.18Å; W547-E549 HydrophobicContact CD2-CB 4.46Å; W547-E549 VanDerWaalsContact CE2-O 3.28Å; W547-E549 HydrophobicContact CH2-CB 4.03Å; W547-E549 HydrophobicContact CZ2-CB 3.79Å; W547-E549 HydrophobicContact CZ3-CB 4.4Å; W547-E549 PolarHBondContact NE1-O 2.75Å; W547-D551 HydrophobicContact CZ2-CB 4.14Å
548	N	76.4	Confident	83.2	Confident	103 Å²	103	69.8 Å²	69.8	55%	0.551	36%	0.355	S	S	*	.			trans	-126.8	9.1	179.9	69.2	-77.9	0	0	0	113.1	I546	I546-N548 PolarHBondContact O-N 3.36Å
549	E	81.3	Confident	83.4	Confident	54 Å²	54	68.6 Å²	68.6	25%	0.252	35%	0.347	S	S	.	.	S	Bend	trans	-95.1	152.3	-175.1	-60.7	-55	142	0	0	111.3	I494 Y535 W547	I494-E549 HydrophobicContact CG2-CG 4.06Å; Y535-E549 HydrophobicContact CD2-CB 4.39Å; Y535-E549 HydrophobicContact CD2-CG 4.09Å; W547-E549 HydrophobicContact CD2-CB 4.46Å; W547-E549 VanDerWaalsContact CE2-O 3.28Å; W547-E549 HydrophobicContact CH2-CB 4.03Å; W547-E549 HydrophobicContact CZ2-CB 3.79Å; W547-E549 HydrophobicContact CZ3-CB 4.4Å; W547-E549 PolarHBondContact NE1-O 2.75Å
550	T	84.9	Confident	83.7	Confident	67 Å²	67	59.8 Å²	59.8	41%	0.411	31%	0.311	S	S	.	.			trans	-88.7	115.6	175	-55.5	0	0	0	0	108.5	D554	T550-D554 HydrophobicContact CG2-CB 4.09Å
551	D	90.8	Very high	83.6	Confident	17 Å²	17	57.3 Å²	57.3	9%	0.091	30%	0.296	C	S	.	.			trans	-78.7	168.4	174	78.8	-15.2	0	0	0	111.2	Y535 K537 W547 N553 D554 Y555	Y535-D551 WeakPolarHBondContact O-CB 3.26Å; K537-D551 HydrophobicContact CB-CB 4.09Å; K537-D551 WeakPolarHBondContact CB-OD2 3.34Å; W547-D551 HydrophobicContact CZ2-CB 4.14Å; D551-N553 PolarHBondContact O-N 3.48Å; D551-N553 PolarHBondContact OD1-N 2.91Å; D551-D554 PolarHBondContact O-N 3.07Å; D551-D554 VanDerWaalsContact OD1-CB 3.25Å; D551-D554 WeakPolarHBondContact OD1-CB 3.19Å; D551-D554 PolarHBondContact OD1-N 3.06Å; D551-Y555 WeakPolarHBondContact O-CB 3.48Å; D551-Y555 PolarHBondContact O-N 3.07Å
552	A	91.6	Very high	83.3	Confident	1 Å²	1	57.4 Å²	57.4	1%	0.008	31%	0.31	C	S	.	.	H	α-helix	trans	-57.6	-36.9	-178.4	0	0	0	0	0	112.5	P504 F534 F556	P504-A552 HydrophobicContact CG-CB 4.38Å; F534-A552 HydrophobicContact CB-CB 3.94Å; F534-A552 HydrophobicContact CD1-CB 4.3Å; F534-A552 HydrophobicContact CD2-CB 3.72Å; F534-A552 HydrophobicContact CE2-CB 4.3Å; F534-A552 HydrophobicContact CG-CB 3.71Å; A552-F556 HydrophobicContact CB-CD2 4.41Å; A552-F556 HydrophobicContact CB-CE2 4.22Å; A552-F556 WeakPolarHBondContact O-CD2 3.43Å; A552-F556 PolarHBondContact O-N 3Å
553	N	93.2	Very high	82.8	Confident	24 Å²	24	57.1 Å²	57.1	13%	0.128	31%	0.313	C	S	.	.	H	α-helix	trans	-65.1	-50.7	180	-82.8	49.6	0	0	0	111.1	D551 Y555 Y557 F572 D573 M576 K579	D551-N553 PolarHBondContact O-N 3.48Å; D551-N553 PolarHBondContact OD1-N 2.91Å; N553-Y555 VanDerWaalsContact C-N 3.32Å; N553-Y555 PolarHBondContact O-N 3.34Å; N553-Y557 VanDerWaalsContact O-CB 3.27Å; N553-Y557 WeakPolarHBondContact O-CB 3.22Å; N553-Y557 PolarHBondContact O-N 3.11Å; N553-F572 HydrophobicContact CB-CE1 4.27Å; N553-F572 WeakPolarHBondContact O-CE1 3.49Å; N553-F572 VanDerWaalsContact O-CZ 3.26Å; N553-F572 WeakPolarHBondContact O-CZ 3.33Å; N553-D573 PolarHBondContact ND2-OD1 2.98Å; N553-M576 WeakPolarHBondContact OD1-CE 3.49Å; N553-K579 PolarHBondContact OD1-NZ 2.85Å
554	D	91.8	Very high	82.4	Confident	49 Å²	49	56.8 Å²	56.8	26%	0.262	31%	0.306	S	S	.	.	H	α-helix	trans	-65.5	-37.6	179.6	-67.7	-21.7	0	0	0	111.1	K537 T550 D551 S558 R569	K537-D554 IonicContact NZ-OD2 2.84Å; K537-D554 PolarHBondContact NZ-OD2 3.37Å; T550-D554 HydrophobicContact CG2-CB 4.09Å; D551-D554 PolarHBondContact O-N 3.07Å; D551-D554 VanDerWaalsContact OD1-CB 3.25Å; D551-D554 WeakPolarHBondContact OD1-CB 3.19Å; D551-D554 PolarHBondContact OD1-N 3.06Å; D554-S558 PolarHBondContact O-N 3.01Å; D554-S558 VanDerWaalsContact O-N 3.12Å; D554-R569 IonicContact OD1-CZ 3.28Å; D554-R569 VanDerWaalsContact OD1-CZ 3.28Å; D554-R569 IonicContact OD1-NH1 2.95Å; D554-R569 PolarHBondContact OD1-NH1 3.14Å; D554-R569 IonicContact OD1-NH2 3.07Å; D554-R569 PolarHBondContact OD1-NH2 2.87Å
555	Y	92.2	Very high	81.7	Confident	2 Å²	2	56.7 Å²	56.7	1%	0.008	32%	0.321	C	S	.	.	H	α-helix	trans	-60.6	-56.3	174.5	-177.6	-97.8	0	0	0	112.2	F534 D551 N553 Y557 S558 M559 S622 N623 Y624 L625 Y627	F534-Y555 AromaticContact CE1-CD1 3.7Å; F534-Y555 HydrophobicContact CE1-CD1 3.7Å; F534-Y555 HydrophobicContact CE1-CD2 4.06Å; F534-Y555 HydrophobicContact CE1-CE1 4.45Å; F534-Y555 AromaticContact CE1-CG 3.49Å; F534-Y555 HydrophobicContact CE1-CG 3.49Å; F534-Y555 VanDerWaalsContact CE1-CG 3.49Å; F534-Y555 AromaticContact CZ-CD1 3.63Å; F534-Y555 HydrophobicContact CZ-CD1 3.63Å; F534-Y555 HydrophobicContact CZ-CE1 4.16Å; F534-Y555 AromaticContact CZ-CG 3.94Å; F534-Y555 HydrophobicContact CZ-CG 3.94Å; D551-Y555 WeakPolarHBondContact O-CB 3.48Å; D551-Y555 PolarHBondContact O-N 3.07Å; N553-Y555 VanDerWaalsContact C-N 3.32Å; N553-Y555 PolarHBondContact O-N 3.34Å; Y555-Y557 VanDerWaalsContact C-N 3.32Å; Y555-Y557 PolarHBondContact O-N 3.23Å; Y555-S558 WeakPolarHBondContact O-CB 3.14Å; Y555-S558 PolarHBondContact O-N 3.36Å; Y555-S558 PolarHBondContact O-OG 3.07Å; Y555-M559 HydrophobicContact CD1-CE 3.75Å; Y555-M559 HydrophobicContact CE1-CE 3.32Å; Y555-M559 HydrophobicContact CE1-SD 4.21Å; Y555-S622 WeakPolarHBondContact CE2-O 3.49Å; Y555-N623 WeakPolarHBondContact OH-CA 3.35Å; Y555-N623 PolarHBondContact OH-OD1 3.37Å; Y555-Y624 HydrophobicContact CD2-CD1 4.42Å; Y555-Y624 AromaticContact CD2-CE1 3.59Å; Y555-Y624 HydrophobicContact CD2-CE1 3.59Å; Y555-Y624 HydrophobicContact CD2-CE2 4.5Å; Y555-Y624 AromaticContact CD2-CZ 3.61Å; Y555-Y624 WeakPolarHBondContact CD2-OH 3.47Å; Y555-Y624 AromaticContact CE2-CD1 3.73Å; Y555-Y624 HydrophobicContact CE2-CD1 3.73Å; Y555-Y624 HydrophobicContact CE2-CD2 4.34Å; Y555-Y624 AromaticContact CE2-CE1 3.31Å; Y555-Y624 HydrophobicContact CE2-CE1 3.31Å; Y555-Y624 AromaticContact CE2-CE2 3.95Å; Y555-Y624 HydrophobicContact CE2-CE2 3.95Å; Y555-Y624 HydrophobicContact CE2-CG 4.22Å; Y555-Y624 AromaticContact CE2-CZ 3.4Å; Y555-Y624 VanDerWaalsContact CE2-CZ 3.4Å; Y555-Y624 PolarHBondContact OH-N 2.79Å; Y555-L625 HydrophobicContact CE1-CD1 4.06Å; Y555-L625 HydrophobicContact CE2-CD1 4.07Å; Y555-L625 HydrophobicContact CE2-CG 4.21Å; Y555-L625 WeakPolarHBondContact OH-CB 3.4Å; Y555-L625 PolarHBondContact OH-N 2.73Å; Y555-L625 VanDerWaalsContact OH-N 3.12Å; Y555-Y627 HydrophobicContact CD1-CE2 4.27Å; Y555-Y627 AromaticContact CE1-CD2 3.57Å; Y555-Y627 HydrophobicContact CE1-CD2 3.57Å; Y555-Y627 AromaticContact CE1-CE2 3.45Å; Y555-Y627 HydrophobicContact CE1-CE2 3.45Å; Y555-Y627 VanDerWaalsContact CE1-CE2 3.45Å
556	F	93.7	Very high	82	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-66.5	-34.1	-178.5	-68.5	-58.3	0	0	0	112.6	P504 L506 L517 F534 A552 S558 M559 F572 M576 L613 L616 Y627	P504-F556 HydrophobicContact CB-CE2 3.86Å; P504-F556 HydrophobicContact CB-CZ 4.28Å; P504-F556 HydrophobicContact CG-CE2 3.61Å; P504-F556 HydrophobicContact CG-CZ 3.81Å; L506-F556 HydrophobicContact CD1-CE2 3.99Å; L506-F556 HydrophobicContact CD1-CZ 4Å; L506-F556 HydrophobicContact CD2-CD1 4.47Å; L506-F556 HydrophobicContact CD2-CE1 4.39Å; L506-F556 HydrophobicContact CD2-CZ 4.48Å; L517-F556 HydrophobicContact CD2-CD1 4.27Å; L517-F556 HydrophobicContact CD2-CE1 3.71Å; F534-F556 HydrophobicContact CE2-CZ 4.44Å; A552-F556 HydrophobicContact CB-CD2 4.41Å; A552-F556 HydrophobicContact CB-CE2 4.22Å; A552-F556 WeakPolarHBondContact O-CD2 3.43Å; A552-F556 PolarHBondContact O-N 3Å; F556-S558 VanDerWaalsContact C-N 3.27Å; F556-S558 PolarHBondContact O-N 2.63Å; F556-M559 HydrophobicContact CD1-CE 3.46Å; F556-M559 VanDerWaalsContact CD1-CE 3.46Å; F556-M559 HydrophobicContact CE1-CE 4.09Å; F556-M559 HydrophobicContact CG-CE 4.4Å; F556-M559 PolarHBondContact O-N 2.89Å; F556-M559 VanDerWaalsContact O-N 3.15Å; F556-F572 HydrophobicContact CB-CE2 4.12Å; F556-F572 HydrophobicContact CB-CZ 3.92Å; F556-M576 HydrophobicContact CD2-CE 4.38Å; F556-L613 HydrophobicContact CB-CD2 3.87Å; F556-L613 HydrophobicContact CG-CD2 4.39Å; F556-L616 HydrophobicContact CD1-CD1 4.12Å; F556-Y627 HydrophobicContact CE1-CD2 4.41Å; F556-Y627 HydrophobicContact CE1-CE2 4.06Å; F556-Y627 HydrophobicContact CZ-CE2 4.37Å
557	Y	93.5	Very high	83.2	Confident	78 Å²	78	51.5 Å²	51.5	31%	0.306	30%	0.304	S	S	.	.	H	α-helix	trans	-62.5	-35.7	176	-172.5	-108.3	0	0	0	112	N553 Y555 M559 V560 R569 F572	N553-Y557 VanDerWaalsContact O-CB 3.27Å; N553-Y557 WeakPolarHBondContact O-CB 3.22Å; N553-Y557 PolarHBondContact O-N 3.11Å; Y555-Y557 VanDerWaalsContact C-N 3.32Å; Y555-Y557 PolarHBondContact O-N 3.23Å; Y557-M559 PolarHBondContact O-N 3Å; Y557-M559 VanDerWaalsContact O-N 3.11Å; Y557-V560 HydrophobicContact CD2-CG2 4.16Å; Y557-V560 WeakPolarHBondContact O-CB 3.3Å; Y557-V560 PolarHBondContact O-N 2.91Å; Y557-R569 HydrophobicContact CE2-CB 4.11Å; Y557-R569 PolarHBondContact OH-N 3.23Å; Y557-F572 HydrophobicContact CD2-CB 3.79Å; Y557-F572 AromaticContact CD2-CD1 3.79Å; Y557-F572 HydrophobicContact CD2-CD1 3.79Å; Y557-F572 AromaticContact CD2-CD2 3.83Å; Y557-F572 HydrophobicContact CD2-CD2 3.83Å; Y557-F572 HydrophobicContact CD2-CE1 4.33Å; Y557-F572 HydrophobicContact CD2-CE2 4.32Å; Y557-F572 AromaticContact CD2-CG 3.52Å; Y557-F572 HydrophobicContact CD2-CG 3.52Å; Y557-F572 HydrophobicContact CE2-CB 4.03Å; Y557-F572 HydrophobicContact CE2-CG 4.27Å; Y557-F572 HydrophobicContact CG-CD1 4.34Å; Y557-F572 HydrophobicContact CG-CE1 4.5Å; Y557-F572 HydrophobicContact CG-CG 4.43Å
558	S	91.8	Very high	83.9	Confident	53 Å²	53	52.7 Å²	52.7	37%	0.371	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-14.3	177.1	80.4	0	0	0	0	114.4	D554 Y555 F556 S622	D554-S558 PolarHBondContact O-N 3.01Å; D554-S558 VanDerWaalsContact O-N 3.12Å; Y555-S558 WeakPolarHBondContact O-CB 3.14Å; Y555-S558 PolarHBondContact O-N 3.36Å; Y555-S558 PolarHBondContact O-OG 3.07Å; F556-S558 VanDerWaalsContact C-N 3.27Å; F556-S558 PolarHBondContact O-N 2.63Å; S558-S622 VanDerWaalsContact OG-CB 3.26Å; S558-S622 WeakPolarHBondContact OG-CB 3.26Å
559	M	91.4	Very high	84.5	Confident	1 Å²	1	51.2 Å²	51.2	1%	0.005	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	0.4	174.8	-64.3	-177	-72	0	0	113	Y555 F556 Y557 P561 L616 N617 L618 N623	Y555-M559 HydrophobicContact CD1-CE 3.75Å; Y555-M559 HydrophobicContact CE1-CE 3.32Å; Y555-M559 HydrophobicContact CE1-SD 4.21Å; F556-M559 HydrophobicContact CD1-CE 3.46Å; F556-M559 VanDerWaalsContact CD1-CE 3.46Å; F556-M559 HydrophobicContact CE1-CE 4.09Å; F556-M559 HydrophobicContact CG-CE 4.4Å; F556-M559 PolarHBondContact O-N 2.89Å; F556-M559 VanDerWaalsContact O-N 3.15Å; Y557-M559 PolarHBondContact O-N 3Å; Y557-M559 VanDerWaalsContact O-N 3.11Å; M559-P561 WeakPolarHBondContact O-CD 3.33Å; M559-L616 HydrophobicContact CB-CB 4.39Å; M559-L616 HydrophobicContact CB-CD2 4.14Å; M559-L616 HydrophobicContact CE-CD1 4.38Å; M559-N617 WeakPolarHBondContact O-CB 3.31Å; M559-N617 PolarHBondContact O-N 2.69Å; M559-L618 HydrophobicContact SD-CD2 4.38Å; M559-N623 HydrophobicContact CG-CB 4.27Å; M559-N623 HydrophobicContact SD-CB 3.48Å; M559-N623 WeakPolarHBondContact SD-CB 3.39Å; M559-N623 VanDerWaalsContact SD-CG 3.54Å; M559-N623 PolarHBondContact SD-OD1 2.87Å
560	V	91.3	Very high	84.9	Confident	21 Å²	21	56.3 Å²	56.3	13%	0.127	33%	0.327	C	S	.	.	S	Bend	trans	-70.7	125.2	173	177.2	0	0	0	0	108.2	Y557 G562 C567 F572 L616	Y557-V560 HydrophobicContact CD2-CG2 4.16Å; Y557-V560 WeakPolarHBondContact O-CB 3.3Å; Y557-V560 PolarHBondContact O-N 2.91Å; V560-G562 PolarHBondContact O-N 2.87Å; V560-C567 HydrophobicContact CG1-CB 3.82Å; V560-F572 HydrophobicContact CG2-CD2 3.9Å; V560-F572 HydrophobicContact CG2-CE2 4.13Å; V560-L616 HydrophobicContact CG2-CD2 4.06Å
561	P	80.3	Confident	85.2	Confident	28 Å²	28	56.1 Å²	56.1	18%	0.182	32%	0.321	C	S	.	.			trans	-60.7	123.9	179.1	-18.6	28.3	0	0	0	111.5	M559 N563 R564 N617	M559-P561 WeakPolarHBondContact O-CD 3.33Å; P561-N563 WeakPolarHBondContact CB-OD1 3.48Å; P561-N563 PolarHBondContact O-N 3.34Å; P561-R564 HydrophobicContact CB-CB 4.49Å; P561-R564 WeakPolarHBondContact O-CB 3.21Å; P561-R564 PolarHBondContact O-N 2.77Å; P561-R564 VanDerWaalsContact O-N 3.08Å; P561-N617 HydrophobicContact CG-CB 4.21Å
562	G	70.7	Confident	85.4	Confident	84 Å²	84	55.3 Å²	55.3	87%	0.866	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-22.8	-177.3	0	0	0	0	0	114.6	V560 R564	V560-G562 PolarHBondContact O-N 2.87Å; G562-R564 VanDerWaalsContact C-N 3.27Å; G562-R564 PolarHBondContact O-N 2.78Å
563	N	64.4	Low	85.4	Confident	147 Å²	147	57.6 Å²	57.6	79%	0.786	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-7.8	175.7	62.1	-14	0	0	0	113.8	P561 G565	P561-N563 WeakPolarHBondContact CB-OD1 3.48Å; P561-N563 PolarHBondContact O-N 3.34Å; N563-G565 VanDerWaalsContact C-N 3.32Å; N563-G565 PolarHBondContact O-N 2.72Å
564	R	63.5	Low	85.4	Confident	83 Å²	83	63.9 Å²	63.9	31%	0.313	36%	0.355	S	S	.	.			trans	-84.8	78.4	178.3	-138	178.9	-168	-160	-1.5	108.7	P561 G562 N566 C567 N615	P561-R564 HydrophobicContact CB-CB 4.49Å; P561-R564 WeakPolarHBondContact O-CB 3.21Å; P561-R564 PolarHBondContact O-N 2.77Å; P561-R564 VanDerWaalsContact O-N 3.08Å; G562-R564 VanDerWaalsContact C-N 3.27Å; G562-R564 PolarHBondContact O-N 2.78Å; R564-N566 PolarHBondContact O-N 2.95Å; R564-C567 PolarHBondContact O-N 2.93Å; R564-N615 PolarHBondContact NH2-ND2 3.37Å
565	G	64.2	Low	85.4	Confident	66 Å²	66	63.1 Å²	63.1	68%	0.68	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.4	-23.8	-173.4	0	0	0	0	0	115.4	N563 C567	N563-G565 VanDerWaalsContact C-N 3.32Å; N563-G565 PolarHBondContact O-N 2.72Å; G565-C567 VanDerWaalsContact C-N 3.31Å; G565-C567 PolarHBondContact O-N 3.5Å
566	N	77.3	Confident	85.5	Confident	139 Å²	139	63.1 Å²	63.1	74%	0.743	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-13.6	-178.9	-52.4	17	0	0	0	113.1	R564 T568 K571	R564-N566 PolarHBondContact O-N 2.95Å; N566-T568 PolarHBondContact O-N 3.32Å; N566-K571 WeakPolarHBondContact O-CD 3.41Å
567	C	87.8	Confident	85.3	Confident	15 Å²	15	71.3 Å²	71.3	10%	0.101	39%	0.386	C	S	.	.			trans	-101	72.7	-174.4	-84.5	0	0	0	0	112.9	V560 R564 G565 C612	V560-C567 HydrophobicContact CG1-CB 3.82Å; R564-C567 PolarHBondContact O-N 2.93Å; G565-C567 VanDerWaalsContact C-N 3.31Å; G565-C567 PolarHBondContact O-N 3.5Å; C567-C612 WeakPolarHBondContact CA-SG 3.37Å; C567-C612 HydrophobicContact CB-CB 3.9Å; C567-C612 WeakPolarHBondContact CB-SG 3.24Å; C567-C612 WeakPolarHBondContact SG-CA 3.44Å; C567-C612 WeakPolarHBondContact SG-CB 3.36Å; C567-C612 CovalentContact SG-SG 2.05Å; C567-C612 PolarHBondContact SG-SG 3.24Å
568	T	88.7	Confident	84.9	Confident	74 Å²	74	69.9 Å²	69.9	45%	0.454	40%	0.395	S	S	.	.			trans	-68.6	160.5	168.8	66.4	0	0	0	0	111.3	N566 E570 K571 F572	N566-T568 PolarHBondContact O-N 3.32Å; T568-E570 PolarHBondContact O-N 3.41Å; T568-K571 PolarHBondContact O-N 3.02Å; T568-K571 PolarHBondContact OG1-N 2.93Å; T568-F572 PolarHBondContact O-N 2.53Å
569	R	89.4	Confident	85	Confident	72 Å²	72	69.7 Å²	69.7	27%	0.272	39%	0.388	S	S	.	.	H	α-helix	trans	-56	-38.3	174.3	-177.7	59.6	-171.4	-138.9	-5.8	112.3	D554 Y557 F572 D573	D554-R569 IonicContact OD1-CZ 3.28Å; D554-R569 VanDerWaalsContact OD1-CZ 3.28Å; D554-R569 IonicContact OD1-NH1 2.95Å; D554-R569 PolarHBondContact OD1-NH1 3.14Å; D554-R569 IonicContact OD1-NH2 3.07Å; D554-R569 PolarHBondContact OD1-NH2 2.87Å; Y557-R569 HydrophobicContact CE2-CB 4.11Å; Y557-R569 PolarHBondContact OH-N 3.23Å; R569-F572 PolarHBondContact O-N 3Å; R569-D573 IonicContact CZ-OD1 3.83Å; R569-D573 IonicContact CZ-OD2 3.91Å; R569-D573 IonicContact NE-OD1 3.43Å; R569-D573 PolarHBondContact NE-OD1 3.31Å; R569-D573 IonicContact NE-OD2 2.98Å; R569-D573 PolarHBondContact NE-OD2 2.96Å; R569-D573 IonicContact NH2-OD1 3.06Å; R569-D573 IonicContact NH2-OD2 3.58Å; R569-D573 WeakPolarHBondContact O-CB 3.47Å; R569-D573 PolarHBondContact O-N 3.06Å
570	E	90.5	Very high	85.1	Confident	161 Å²	161	73.3 Å²	73.3	75%	0.752	40%	0.401	S	S	*	.	H	α-helix	trans	-63.9	-43.7	177.6	-65.5	-177	168.7	0	0	112.7	T568 D573 K574	T568-E570 PolarHBondContact O-N 3.41Å; E570-D573 PolarHBondContact O-N 2.92Å; E570-K574 WeakPolarHBondContact O-CB 3.32Å; E570-K574 PolarHBondContact O-N 3.31Å
571	K	91.7	Very high	85.3	Confident	64 Å²	64	74.2 Å²	74.2	28%	0.278	40%	0.404	S	S	.	.	H	α-helix	trans	-63.8	-44.1	175.1	-178.1	-176.8	164.8	68.9	0	110.7	N566 T568 D573 K574 D575 T610	N566-K571 WeakPolarHBondContact O-CD 3.41Å; T568-K571 PolarHBondContact O-N 3.02Å; T568-K571 PolarHBondContact OG1-N 2.93Å; K571-D573 PolarHBondContact O-N 3Å; K571-K574 WeakPolarHBondContact O-CB 3.23Å; K571-K574 PolarHBondContact O-N 3.18Å; K571-D575 PolarHBondContact O-N 2.98Å; K571-T610 WeakPolarHBondContact CE-O 3.45Å; K571-T610 PolarHBondContact NZ-O 3.02Å
572	F	93.8	Very high	85.9	Confident	0 Å²	0	72.9 Å²	72.9	0%	0	40%	0.395	C	S	.	.	H	α-helix	trans	-58.7	-46.9	175.7	172.9	-88.5	0	0	0	112.1	N553 F556 Y557 V560 T568 R569 K574 D575 M576 C612 L613	N553-F572 HydrophobicContact CB-CE1 4.27Å; N553-F572 WeakPolarHBondContact O-CE1 3.49Å; N553-F572 VanDerWaalsContact O-CZ 3.26Å; N553-F572 WeakPolarHBondContact O-CZ 3.33Å; F556-F572 HydrophobicContact CB-CE2 4.12Å; F556-F572 HydrophobicContact CB-CZ 3.92Å; Y557-F572 HydrophobicContact CD2-CB 3.79Å; Y557-F572 AromaticContact CD2-CD1 3.79Å; Y557-F572 HydrophobicContact CD2-CD1 3.79Å; Y557-F572 AromaticContact CD2-CD2 3.83Å; Y557-F572 HydrophobicContact CD2-CD2 3.83Å; Y557-F572 HydrophobicContact CD2-CE1 4.33Å; Y557-F572 HydrophobicContact CD2-CE2 4.32Å; Y557-F572 AromaticContact CD2-CG 3.52Å; Y557-F572 HydrophobicContact CD2-CG 3.52Å; Y557-F572 HydrophobicContact CE2-CB 4.03Å; Y557-F572 HydrophobicContact CE2-CG 4.27Å; Y557-F572 HydrophobicContact CG-CD1 4.34Å; Y557-F572 HydrophobicContact CG-CE1 4.5Å; Y557-F572 HydrophobicContact CG-CG 4.43Å; V560-F572 HydrophobicContact CG2-CD2 3.9Å; V560-F572 HydrophobicContact CG2-CE2 4.13Å; T568-F572 PolarHBondContact O-N 2.53Å; R569-F572 PolarHBondContact O-N 3Å; F572-K574 VanDerWaalsContact C-N 3.27Å; F572-K574 PolarHBondContact O-N 2.86Å; F572-D575 WeakPolarHBondContact O-CB 3.48Å; F572-D575 PolarHBondContact O-N 3.36Å; F572-D575 VanDerWaalsContact O-N 3.16Å; F572-M576 HydrophobicContact CD1-CG 4.19Å; F572-M576 HydrophobicContact CE1-CG 3.67Å; F572-M576 HydrophobicContact CE2-CG 4.42Å; F572-M576 HydrophobicContact CZ-CG 3.8Å; F572-M576 HydrophobicContact CZ-SD 4.35Å; F572-M576 PolarHBondContact O-N 3.38Å; F572-C612 HydrophobicContact CB-CB 4.44Å; F572-C612 HydrophobicContact CD2-CB 4.24Å; F572-L613 HydrophobicContact CD2-CD2 4.27Å; F572-L613 HydrophobicContact CE2-CD2 3.49Å; F572-L613 VanDerWaalsContact CE2-CD2 3.49Å; F572-L613 HydrophobicContact CE2-CG 4.17Å; F572-L613 HydrophobicContact CZ-CD2 4.24Å
573	D	93	Very high	87.1	Confident	48 Å²	48	69 Å²	69	26%	0.257	36%	0.355	S	S	.	.	H	α-helix	trans	-66.5	-31	178.8	-77.1	-35.9	0	0	0	111.7	N553 R569 E570 K571 M576 K577	N553-D573 PolarHBondContact ND2-OD1 2.98Å; R569-D573 IonicContact CZ-OD1 3.83Å; R569-D573 IonicContact CZ-OD2 3.91Å; R569-D573 IonicContact NE-OD1 3.43Å; R569-D573 PolarHBondContact NE-OD1 3.31Å; R569-D573 IonicContact NE-OD2 2.98Å; R569-D573 PolarHBondContact NE-OD2 2.96Å; R569-D573 IonicContact NH2-OD1 3.06Å; R569-D573 IonicContact NH2-OD2 3.58Å; R569-D573 WeakPolarHBondContact O-CB 3.47Å; R569-D573 PolarHBondContact O-N 3.06Å; E570-D573 PolarHBondContact O-N 2.92Å; K571-D573 PolarHBondContact O-N 3Å; D573-M576 PolarHBondContact O-N 3.36Å; D573-K577 WeakPolarHBondContact O-CG 3.05Å; D573-K577 PolarHBondContact O-N 3.28Å; D573-K577 VanDerWaalsContact O-N 3.11Å
574	K	92.2	Very high	88.5	Confident	157 Å²	157	64.6 Å²	64.6	68%	0.683	33%	0.331	S	S	*	.	H	α-helix	trans	-65.2	-43.8	170.4	-173.1	179.7	178.4	179.6	0	111.8	E570 K571 F572 M576 K577	E570-K574 WeakPolarHBondContact O-CB 3.32Å; E570-K574 PolarHBondContact O-N 3.31Å; K571-K574 WeakPolarHBondContact O-CB 3.23Å; K571-K574 PolarHBondContact O-N 3.18Å; F572-K574 VanDerWaalsContact C-N 3.27Å; F572-K574 PolarHBondContact O-N 2.86Å; K574-M576 VanDerWaalsContact C-N 3.33Å; K574-M576 PolarHBondContact O-N 3.05Å; K574-K577 WeakPolarHBondContact O-CB 3.43Å; K574-K577 PolarHBondContact O-N 3.05Å; K574-K577 VanDerWaalsContact O-N 3.17Å
575	D	92.7	Very high	89.8	Confident	32 Å²	32	63.3 Å²	63.3	17%	0.171	33%	0.334	C	S	.	.	H	α-helix	trans	-60.7	-44.6	174.5	-69.1	-7.1	0	0	0	110.5	K571 F572 K577 G578 L605 S611 C612	K571-D575 PolarHBondContact O-N 2.98Å; F572-D575 WeakPolarHBondContact O-CB 3.48Å; F572-D575 PolarHBondContact O-N 3.36Å; F572-D575 VanDerWaalsContact O-N 3.16Å; D575-K577 PolarHBondContact O-N 2.77Å; D575-G578 PolarHBondContact O-N 3.44Å; D575-G578 VanDerWaalsContact O-N 3.07Å; D575-L605 WeakPolarHBondContact O-CD1 3.26Å; D575-S611 WeakPolarHBondContact OD2-CA 3.39Å; D575-S611 WeakPolarHBondContact OD2-CB 3.35Å; D575-S611 PolarHBondContact OD2-OG 3.15Å; D575-C612 PolarHBondContact OD2-N 2.75Å
576	M	93.3	Very high	91.1	Very high	2 Å²	2	62.1 Å²	62.1	1%	0.01	31%	0.31	C	S	.	.	H	α-helix	trans	-65.5	-18.7	177.3	-73.1	-63.6	-80.7	0	0	114.1	N553 F556 F572 D573 K574 G578 K579 L605 L613	N553-M576 WeakPolarHBondContact OD1-CE 3.49Å; F556-M576 HydrophobicContact CD2-CE 4.38Å; F572-M576 HydrophobicContact CD1-CG 4.19Å; F572-M576 HydrophobicContact CE1-CG 3.67Å; F572-M576 HydrophobicContact CE2-CG 4.42Å; F572-M576 HydrophobicContact CZ-CG 3.8Å; F572-M576 HydrophobicContact CZ-SD 4.35Å; F572-M576 PolarHBondContact O-N 3.38Å; D573-M576 PolarHBondContact O-N 3.36Å; K574-M576 VanDerWaalsContact C-N 3.33Å; K574-M576 PolarHBondContact O-N 3.05Å; M576-G578 VanDerWaalsContact C-N 3.29Å; M576-K579 VanDerWaalsContact O-CD 3.25Å; M576-K579 WeakPolarHBondContact O-CD 2.88Å; M576-K579 VanDerWaalsContact O-CE 3.25Å; M576-K579 WeakPolarHBondContact O-CE 3.14Å; M576-K579 VanDerWaalsContact O-CG 3.22Å; M576-K579 WeakPolarHBondContact O-CG 3.45Å; M576-L605 HydrophobicContact SD-CD2 3.59Å; M576-L605 VanDerWaalsContact SD-CD2 3.59Å; M576-L613 HydrophobicContact CG-CD1 4.46Å; M576-L613 HydrophobicContact SD-CD1 3.7Å
577	K	89.3	Confident	91.5	Very high	172 Å²	172	55.8 Å²	55.8	75%	0.748	28%	0.276	S	S	*	.	H	α-helix	trans	-72.7	-20.8	173.3	-77	171.6	-174.2	174.6	0	112.8	D573 K574 D575 K579	D573-K577 WeakPolarHBondContact O-CG 3.05Å; D573-K577 PolarHBondContact O-N 3.28Å; D573-K577 VanDerWaalsContact O-N 3.11Å; K574-K577 WeakPolarHBondContact O-CB 3.43Å; K574-K577 PolarHBondContact O-N 3.05Å; K574-K577 VanDerWaalsContact O-N 3.17Å; D575-K577 PolarHBondContact O-N 2.77Å; K577-K579 PolarHBondContact O-N 3.39Å
578	G	86.4	Confident	91.3	Very high	49 Å²	49	58.4 Å²	58.4	51%	0.505	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-6.8	178.8	0	0	0	0	0	114.7	D575 M576	D575-G578 PolarHBondContact O-N 3.44Å; D575-G578 VanDerWaalsContact O-N 3.07Å; M576-G578 VanDerWaalsContact C-N 3.29Å
579	K	93.3	Very high	91	Very high	49 Å²	49	55.3 Å²	55.3	21%	0.213	28%	0.275	C	S	.	.			trans	-66.7	135.9	-177.6	65	-168.2	162.5	-165.3	0	112.6	N553 M576 K577 Y603 I604 L605	N553-K579 PolarHBondContact OD1-NZ 2.85Å; M576-K579 VanDerWaalsContact O-CD 3.25Å; M576-K579 WeakPolarHBondContact O-CD 2.88Å; M576-K579 VanDerWaalsContact O-CE 3.25Å; M576-K579 WeakPolarHBondContact O-CE 3.14Å; M576-K579 VanDerWaalsContact O-CG 3.22Å; M576-K579 WeakPolarHBondContact O-CG 3.45Å; K577-K579 PolarHBondContact O-N 3.39Å; K579-Y603 HydrophobicContact CB-CD2 3.57Å; K579-Y603 HydrophobicContact CB-CE2 4.12Å; K579-Y603 HydrophobicContact CB-CG 4.17Å; K579-Y603 HydrophobicContact CD-CD1 4.27Å; K579-Y603 HydrophobicContact CD-CD2 3.56Å; K579-Y603 HydrophobicContact CD-CE1 4.17Å; K579-Y603 HydrophobicContact CD-CE2 3.43Å; K579-Y603 VanDerWaalsContact CD-CE2 3.43Å; K579-Y603 HydrophobicContact CD-CG 3.96Å; K579-Y603 HydrophobicContact CG-CD2 4.05Å; K579-Y603 HydrophobicContact CG-CE2 4.37Å; K579-Y603 HydrophobicContact CG-CG 4.35Å; K579-I604 WeakPolarHBondContact CA-O 3.47Å; K579-L605 HydrophobicContact CB-CB 4.28Å; K579-L605 HydrophobicContact CB-CD1 4.09Å
580	R	93.8	Very high	90.4	Very high	76 Å²	76	55.3 Å²	55.3	29%	0.287	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	136.2	176.3	-62.3	172.6	69.2	-167	-2	109.7	Y603 I604 Q709 W712 I713	R580-Y603 CarbonylContact O-C 3.56Å; R580-Y603 VanDerWaalsContact O-CA 3.27Å; R580-Y603 WeakPolarHBondContact O-CA 3.31Å; R580-Y603 WeakPolarHBondContact O-CB 3.45Å; R580-I604 PolarHBondContact N-O 2.96Å; R580-I604 PolarHBondContact O-N 2.96Å; R580-Q709 PolarHBondContact NE-O 3.27Å; R580-Q709 PolarHBondContact NH2-O 3.45Å; R580-W712 PolarHBondContact NE-O 3.26Å; R580-W712 PolarHBondContact NH2-O 3.23Å; R580-I713 HydrophobicContact CB-CD1 3.67Å; R580-I713 HydrophobicContact CB-CG1 3.58Å; R580-I713 HydrophobicContact CG-CG1 4.32Å
581	K	95	Very high	89.8	Confident	41 Å²	41	51.3 Å²	51.3	18%	0.178	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	139.9	-176	-65	174	-73.1	161.8	0	110.9	N584 R601 R711 W712 I713	K581-N584 HydrophobicContact CD-CB 4.37Å; K581-R601 HydrophobicContact CD-CG 4.25Å; K581-R601 HydrophobicContact CG-CG 4.1Å; K581-R711 WeakPolarHBondContact CB-O 3.41Å; K581-R711 VanDerWaalsContact CE-O 3.24Å; K581-R711 WeakPolarHBondContact CE-O 2.78Å; K581-R711 PolarHBondContact N-O 2.83Å; K581-W712 HydrophobicContact CB-CD2 3.86Å; K581-W712 HydrophobicContact CB-CE3 3.51Å; K581-W712 HydrophobicContact CB-CH2 4.36Å; K581-W712 HydrophobicContact CB-CZ3 3.79Å; K581-W712 HydrophobicContact CD-CH2 4.42Å; K581-W712 HydrophobicContact CD-CZ2 4.25Å; K581-W712 VanDerWaalsContact NZ-NE1 3.15Å; K581-W712 CarbonylContact O-C 3.56Å; K581-W712 VanDerWaalsContact O-CA 3.28Å; K581-W712 WeakPolarHBondContact O-CA 3.34Å; K581-I713 PolarHBondContact O-N 3.24Å
582	L	93.3	Very high	89.4	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	-37.1	162.1	-72.1	175.1	0	0	0	110.9	I505 V602 I604 A640 L643 V644 N660 I713	I505-L582 HydrophobicContact CD1-CD1 4.31Å; L582-V602 HydrophobicContact CB-CB 4.41Å; L582-V602 HydrophobicContact CB-CG1 4.39Å; L582-V602 HydrophobicContact CD1-CG1 4.19Å; L582-V602 PolarHBondContact N-O 3.43Å; L582-I604 HydrophobicContact CD1-CD1 3.62Å; L582-I604 HydrophobicContact CD1-CG1 3.62Å; L582-I604 HydrophobicContact CD2-CD1 3.93Å; L582-I604 HydrophobicContact CG-CD1 3.89Å; L582-I604 HydrophobicContact CG-CG1 3.98Å; L582-A640 HydrophobicContact CD2-CB 3.72Å; L582-L643 HydrophobicContact CD1-CD2 4.25Å; L582-V644 HydrophobicContact CD1-CG2 3.86Å; L582-N660 WeakPolarHBondContact O-CB 3.48Å; L582-N660 PolarHBondContact O-ND2 3.16Å; L582-I713 HydrophobicContact CD2-CB 4.03Å; L582-I713 HydrophobicContact CD2-CG2 4.09Å
583	F	94.8	Very high	89	Confident	3 Å²	3	48.5 Å²	48.5	1%	0.013	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	149.1	-172.7	-173.3	-105.3	0	0	0	110.7	S585 Y586 L587 A600 R601 V602 T655 I656	F583-S585 VanDerWaalsContact CE1-O 3.32Å; F583-S585 WeakPolarHBondContact CE1-O 3.47Å; F583-Y586 WeakPolarHBondContact CE1-O 3.38Å; F583-Y586 WeakPolarHBondContact CZ-O 3.37Å; F583-L587 HydrophobicContact CE1-CB 4.15Å; F583-L587 HydrophobicContact CE1-CD1 4.46Å; F583-A600 WeakPolarHBondContact CD1-O 3.27Å; F583-R601 CarbonylContact O-C 3.55Å; F583-R601 VanDerWaalsContact O-CA 3.26Å; F583-R601 WeakPolarHBondContact O-CA 3.31Å; F583-V602 HydrophobicContact CB-CB 3.95Å; F583-V602 HydrophobicContact CB-CG2 3.99Å; F583-V602 HydrophobicContact CD1-CG2 4.31Å; F583-V602 PolarHBondContact N-O 3.46Å; F583-V602 PolarHBondContact O-N 2.87Å; F583-T655 HydrophobicContact CE2-CG2 4.32Å; F583-T655 WeakPolarHBondContact CE2-O 3.38Å; F583-T655 HydrophobicContact CZ-CG2 4.02Å; F583-I656 HydrophobicContact CB-CG1 4.31Å; F583-I656 HydrophobicContact CB-CG2 4.13Å; F583-I656 HydrophobicContact CD1-CG1 4.38Å; F583-I656 HydrophobicContact CD2-CB 4.36Å; F583-I656 HydrophobicContact CD2-CG1 4.28Å; F583-I656 HydrophobicContact CG-CG1 4.09Å
584	N	94.6	Very high	88.6	Confident	54 Å²	54	46.7 Å²	46.7	29%	0.289	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	68.1	175.4	-177.5	50	0	0	0	110.3	K581 A600 R601 W712	K581-N584 HydrophobicContact CD-CB 4.37Å; N584-A600 WeakPolarHBondContact CA-O 3.5Å; N584-R601 HydrophobicContact CB-CB 4.48Å; N584-R601 HydrophobicContact CB-CG 4.34Å; N584-W712 HydrophobicContact CB-CH2 3.76Å; N584-W712 HydrophobicContact CB-CZ2 4.44Å
585	S	91.8	Very high	88.3	Confident	55 Å²	55	39.2 Å²	39.2	39%	0.385	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	-172.3	179	-154.8	0	0	0	0	110.1	F583 L587 K599 A600	F583-S585 VanDerWaalsContact CE1-O 3.32Å; F583-S585 WeakPolarHBondContact CE1-O 3.47Å; S585-L587 PolarHBondContact O-N 3.32Å; S585-K599 CarbonylContact O-C 3.44Å; S585-K599 WeakPolarHBondContact O-CA 3.22Å; S585-A600 PolarHBondContact N-O 3.2Å; S585-A600 PolarHBondContact O-N 3.02Å; S585-A600 VanDerWaalsContact O-O 3.08Å
586	Y	89.7	Confident	88.1	Confident	41 Å²	41	37.7 Å²	37.7	16%	0.161	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.9	135.9	169.7	170.1	-107.4	0	0	0	111.8	E482 F583 E592 W597 V598	E482-Y586 HydrophobicContact CB-CD1 3.94Å; E482-Y586 HydrophobicContact CB-CD2 4.27Å; E482-Y586 HydrophobicContact CB-CE1 3.66Å; E482-Y586 HydrophobicContact CB-CE2 3.99Å; E482-Y586 HydrophobicContact CB-CG 4.21Å; E482-Y586 VanDerWaalsContact CD-CD1 3.47Å; E482-Y586 HydrophobicContact CG-CD1 3.44Å; E482-Y586 VanDerWaalsContact CG-CD1 3.44Å; E482-Y586 HydrophobicContact CG-CD2 3.67Å; E482-Y586 HydrophobicContact CG-CE1 3.73Å; E482-Y586 HydrophobicContact CG-CE2 3.93Å; E482-Y586 HydrophobicContact CG-CG 3.38Å; F583-Y586 WeakPolarHBondContact CE1-O 3.38Å; F583-Y586 WeakPolarHBondContact CZ-O 3.37Å; Y586-E592 WeakPolarHBondContact CE2-OE1 3.05Å; Y586-E592 PolarHBondContact OH-OE2 3.22Å; Y586-E592 VanDerWaalsContact OH-OE2 3.06Å; Y586-W597 HydrophobicContact CE2-CB 4.29Å; Y586-V598 WeakPolarHBondContact CA-O 3.15Å; Y586-V598 VanDerWaalsContact CD2-O 3.27Å; Y586-V598 WeakPolarHBondContact CD2-O 3.2Å
587	L	87.5	Confident	88	Confident	6 Å²	6	39.1 Å²	39.1	3%	0.031	21%	0.205	C	C	.	.			trans	-136.5	115.9	170.8	-173.7	70.4	0	0	0	107.1	I503 F583 S585 H589 V598 A600 E652 T655 I656	I503-L587 HydrophobicContact CD1-CD2 3.75Å; F583-L587 HydrophobicContact CE1-CB 4.15Å; F583-L587 HydrophobicContact CE1-CD1 4.46Å; S585-L587 PolarHBondContact O-N 3.32Å; L587-H589 PolarHBondContact O-N 3.16Å; L587-V598 PolarHBondContact N-O 3.29Å; L587-A600 HydrophobicContact CB-CB 3.55Å; L587-A600 HydrophobicContact CD2-CB 3.69Å; L587-A600 HydrophobicContact CG-CB 4.28Å; L587-E652 HydrophobicContact CD1-CB 4.47Å; L587-E652 HydrophobicContact CD1-CG 4.38Å; L587-T655 HydrophobicContact CD1-CG2 4.36Å; L587-I656 HydrophobicContact CD1-CG1 4.32Å
588	S	82.5	Confident	88	Confident	70 Å²	70	31 Å²	31	49%	0.49	17%	0.17	S	C	.	.			trans	-57.2	139.4	-175.5	-171.8	0	0	0	0	111.5	E592	S588-E592 WeakPolarHBondContact CA-OE2 3.29Å; S588-E592 PolarHBondContact OG-OE2 2.99Å
589	H	82.5	Confident	88.3	Confident	10 Å²	10	31 Å²	31	5%	0.046	16%	0.156	C	C	.	.			trans	-134.5	142	-179	-172.1	-89.4	0	0	0	110.8	W493 Q526 L587 Y591 E592 V598	W493-H589 HydrophobicContact CH2-CB 4.19Å; W493-H589 AromaticContact CH2-CE1 3.47Å; W493-H589 VanDerWaalsContact CH2-CE1 3.47Å; W493-H589 WeakPolarHBondContact CH2-CE1 3.17Å; W493-H589 AromaticContact CH2-CG 3.62Å; W493-H589 AromaticContact CH2-ND1 3.23Å; W493-H589 WeakPolarHBondContact CH2-ND1 3.35Å; W493-H589 HydrophobicContact CZ2-CB 4.09Å; W493-H589 AromaticContact CZ2-CE1 3.81Å; W493-H589 AromaticContact CZ2-CG 3.77Å; W493-H589 AromaticContact CZ2-ND1 3.18Å; W493-H589 WeakPolarHBondContact CZ2-ND1 3.32Å; Q526-H589 PolarHBondContact O-CE1 2.83Å; L587-H589 PolarHBondContact O-N 3.16Å; H589-Y591 AromaticContact CE1-CD2 3.58Å; H589-Y591 AromaticContact ND1-CD2 3.9Å; H589-Y591 PolarHBondContact ND1-N 3.29Å; H589-Y591 PolarHBondContact O-N 3.22Å; H589-E592 HydrophobicContact CB-CG 3.83Å; H589-E592 VanDerWaalsContact N-CD 3.26Å; H589-E592 PolarHBondContact N-OE2 2.97Å; H589-E592 VanDerWaalsContact O-CG 3.32Å; H589-E592 WeakPolarHBondContact O-CG 3.24Å; H589-E592 PolarHBondContact O-N 3.06Å; H589-E592 VanDerWaalsContact O-N 3.14Å; H589-V598 HydrophobicContact CB-CB 4.41Å; H589-V598 HydrophobicContact CB-CG2 3.87Å
590	P	76	Confident	88.2	Confident	71 Å²	71	28.7 Å²	28.7	46%	0.461	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-12.5	-172.4	23.1	-36.1	0	0	0	115.2	R437	R437-P590 VanDerWaalsContact NH2-C 3.32Å; R437-P590 PolarHBondContact NH2-O 3.37Å
591	Y	78.9	Confident	88.2	Confident	78 Å²	78	27.9 Å²	27.9	31%	0.306	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.8	11.2	-178.7	-61.1	-75.4	0	0	0	114.1	I492 W493 H589	I492-Y591 VanDerWaalsContact CD1-CB 3.44Å; I492-Y591 HydrophobicContact CD1-CD1 4.17Å; I492-Y591 HydrophobicContact CD1-CD2 3.63Å; I492-Y591 HydrophobicContact CD1-CE2 4.38Å; I492-Y591 HydrophobicContact CD1-CG 3.49Å; I492-Y591 VanDerWaalsContact CD1-CG 3.49Å; I492-Y591 HydrophobicContact CG1-CG 4.25Å; W493-Y591 PolarHBondContact NE1-O 3.26Å; H589-Y591 AromaticContact CE1-CD2 3.58Å; H589-Y591 AromaticContact ND1-CD2 3.9Å; H589-Y591 PolarHBondContact ND1-N 3.29Å; H589-Y591 PolarHBondContact O-N 3.22Å
592	E	82.8	Confident	88.2	Confident	4 Å²	4	25.9 Å²	25.9	2%	0.019	13%	0.134	C	C	.	.			trans	-59.5	165.6	173.9	-66.3	180	133.1	0	0	111.4	R437 T485 W493 Y586 S588 H589 A596 W597 V598	R437-E592 PolarHBondContact NH1-O 3.34Å; R437-E592 PolarHBondContact NH2-O 3.32Å; T485-E592 HydrophobicContact CG2-CB 4.35Å; W493-E592 HydrophobicContact CZ2-CG 4.23Å; Y586-E592 WeakPolarHBondContact CE2-OE1 3.05Å; Y586-E592 PolarHBondContact OH-OE2 3.22Å; Y586-E592 VanDerWaalsContact OH-OE2 3.06Å; S588-E592 WeakPolarHBondContact CA-OE2 3.29Å; S588-E592 PolarHBondContact OG-OE2 2.99Å; H589-E592 HydrophobicContact CB-CG 3.83Å; H589-E592 VanDerWaalsContact N-CD 3.26Å; H589-E592 PolarHBondContact N-OE2 2.97Å; H589-E592 VanDerWaalsContact O-CG 3.32Å; H589-E592 WeakPolarHBondContact O-CG 3.24Å; H589-E592 PolarHBondContact O-N 3.06Å; H589-E592 VanDerWaalsContact O-N 3.14Å; E592-A596 CarbonylContact C-O 3.5Å; E592-A596 WeakPolarHBondContact CA-O 3.13Å; E592-W597 HydrophobicContact CG-CB 4.34Å; E592-V598 HydrophobicContact CG-CG2 4.42Å; E592-V598 PolarHBondContact OE1-N 3.32Å
593	T	85.3	Confident	88.3	Confident	0 Å²	0	26 Å²	26	0%	0	13%	0.134	C	C	.	.			trans	-135	176.3	168.9	65.9	0	0	0	0	107.4	T459 T485 L487 G489 N595 A596	T459-T593 HydrophobicContact CG2-CG2 3.87Å; T485-T593 VanDerWaalsContact OG1-C 3.24Å; T485-T593 VanDerWaalsContact OG1-CA 3.29Å; T485-T593 WeakPolarHBondContact OG1-CA 3.38Å; L487-T593 HydrophobicContact CB-CG2 4.23Å; L487-T593 WeakPolarHBondContact O-CB 3.44Å; G489-T593 WeakPolarHBondContact O-CB 3.44Å; G489-T593 PolarHBondContact O-OG1 2.63Å; T593-N595 PolarHBondContact O-N 3.39Å; T593-N595 PolarHBondContact OG1-N 3.46Å; T593-N595 VanDerWaalsContact OG1-N 3.16Å; T593-A596 PolarHBondContact N-O 3.12Å; T593-A596 PolarHBondContact OG1-N 2.95Å
594	D	85.5	Confident	88.3	Confident	10 Å²	10	26 Å²	26	5%	0.053	14%	0.135	C	C	.	.	S	Bend	trans	-61.7	-24.4	171.1	-68.1	12.5	0	0	0	111.4	Y454 N480 T485 G486 L487 I488	Y454-D594 WeakPolarHBondContact CE1-OD2 3.09Å; Y454-D594 VanDerWaalsContact CZ-OD2 3.24Å; Y454-D594 VanDerWaalsContact OH-CG 3.3Å; Y454-D594 PolarHBondContact OH-OD1 2.63Å; Y454-D594 PolarHBondContact OH-OD2 2.73Å; N480-D594 WeakPolarHBondContact CB-O 3.48Å; N480-D594 PolarHBondContact N-O 3.03Å; T485-D594 WeakPolarHBondContact CA-OD1 3.44Å; T485-D594 WeakPolarHBondContact CB-OD1 3.48Å; T485-D594 PolarHBondContact N-OD1 3.05Å; T485-D594 PolarHBondContact OG1-N 2.93Å; T485-D594 VanDerWaalsContact OG1-N 3.14Å; T485-D594 PolarHBondContact OG1-OD1 2.78Å; G486-D594 PolarHBondContact N-OD1 2.87Å; L487-D594 WeakPolarHBondContact O-CB 3.23Å; L487-D594 VanDerWaalsContact O-CG 3.27Å; L487-D594 PolarHBondContact O-N 3.33Å; I488-D594 HydrophobicContact CG2-CB 3.93Å
595	N	85.9	Confident	88.2	Confident	1 Å²	1	23.6 Å²	23.6	1%	0.005	12%	0.122	C	C	.	.	S	Bend	trans	-108.8	-6.9	-175.3	-46.3	105.3	0	0	0	114.7	V477 Y478 I488 G489 L496 G497 T593	V477-N595 PolarHBondContact O-ND2 2.83Å; Y478-N595 VanDerWaalsContact O-CA 3.26Å; Y478-N595 WeakPolarHBondContact O-CA 3.38Å; I488-N595 VanDerWaalsContact CA-OD1 3.32Å; I488-N595 WeakPolarHBondContact CA-OD1 3.23Å; I488-N595 VanDerWaalsContact CB-OD1 3.23Å; I488-N595 WeakPolarHBondContact CB-OD1 3.32Å; I488-N595 WeakPolarHBondContact CG2-OD1 3.42Å; G489-N595 PolarHBondContact N-OD1 3.4Å; L496-N595 CarbonylContact C-O 3.53Å; L496-N595 WeakPolarHBondContact CA-O 3.31Å; L496-N595 HydrophobicContact CD2-CB 3.76Å; G497-N595 PolarHBondContact N-O 2.69Å; T593-N595 PolarHBondContact O-N 3.39Å; T593-N595 PolarHBondContact OG1-N 3.46Å; T593-N595 VanDerWaalsContact OG1-N 3.16Å
596	A	88.4	Confident	88.2	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	118.1	-179.1	0	0	0	0	0	110.8	W493 G497 E592 T593	W493-A596 HydrophobicContact CB-CB 4.14Å; W493-A596 HydrophobicContact CG-CB 4.08Å; G497-A596 WeakPolarHBondContact O-CA 3.38Å; E592-A596 CarbonylContact C-O 3.5Å; E592-A596 WeakPolarHBondContact CA-O 3.13Å; T593-A596 PolarHBondContact N-O 3.12Å; T593-A596 PolarHBondContact OG1-N 2.95Å
597	W	89.9	Confident	88.4	Confident	32 Å²	32	22.6 Å²	22.6	12%	0.121	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	169.5	-174.2	65.7	92.9	0	0	0	112.3	Y478 V479 N480 G497 E498 N499 Y586 E592	Y478-W597 WeakPolarHBondContact O-CZ3 3.4Å; V479-W597 VanDerWaalsContact C-CZ3 3.43Å; V479-W597 WeakPolarHBondContact O-CH2 3.29Å; N480-W597 VanDerWaalsContact CA-CE3 3.46Å; N480-W597 HydrophobicContact CB-CB 4.45Å; N480-W597 HydrophobicContact CB-CD2 3.97Å; N480-W597 HydrophobicContact CB-CE3 3.56Å; N480-W597 HydrophobicContact CB-CG 4.37Å; N480-W597 HydrophobicContact CB-CZ3 4.07Å; N480-W597 VanDerWaalsContact N-CZ3 3.29Å; N480-W597 WeakPolarHBondContact ND2-CB 3.27Å; G497-W597 PolarHBondContact O-N 3.17Å; E498-W597 HydrophobicContact CB-CZ2 4.26Å; N499-W597 WeakPolarHBondContact CB-O 3.37Å; N499-W597 PolarHBondContact N-O 3.42Å; Y586-W597 HydrophobicContact CE2-CB 4.29Å; E592-W597 HydrophobicContact CG-CB 4.34Å
598	V	89.7	Confident	88.6	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	133	-173.1	174	0	0	0	0	112.1	W493 N499 M501 M533 Y586 L587 H589 E592 A600	W493-V598 HydrophobicContact CE3-CG2 4.18Å; W493-V598 HydrophobicContact CH2-CG2 3.06Å; W493-V598 HydrophobicContact CZ2-CG2 3.44Å; W493-V598 VanDerWaalsContact CZ2-CG2 3.44Å; W493-V598 HydrophobicContact CZ3-CG2 3.47Å; W493-V598 VanDerWaalsContact CZ3-CG2 3.47Å; N499-V598 WeakPolarHBondContact O-CA 3.41Å; M501-V598 HydrophobicContact CB-CG1 4.04Å; M501-V598 HydrophobicContact CG-CG1 3.69Å; M501-V598 HydrophobicContact CG-CG2 4.38Å; M533-V598 HydrophobicContact CE-CG1 3.79Å; Y586-V598 WeakPolarHBondContact CA-O 3.15Å; Y586-V598 VanDerWaalsContact CD2-O 3.27Å; Y586-V598 WeakPolarHBondContact CD2-O 3.2Å; L587-V598 PolarHBondContact N-O 3.29Å; H589-V598 HydrophobicContact CB-CB 4.41Å; H589-V598 HydrophobicContact CB-CG2 3.87Å; E592-V598 HydrophobicContact CG-CG2 4.42Å; E592-V598 PolarHBondContact OE1-N 3.32Å; V598-A600 HydrophobicContact CG1-CB 4.22Å
599	K	92.4	Very high	88.9	Confident	50 Å²	50	28.4 Å²	28.4	22%	0.217	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	100.6	160.5	-176.8	173.5	-173	169.9	0	110.3	E498 N499 M501 S585	E498-K599 HydrophobicContact CG-CB 3.67Å; E498-K599 HydrophobicContact CG-CD 3.94Å; E498-K599 VanDerWaalsContact OE1-CD 3.28Å; E498-K599 WeakPolarHBondContact OE1-CD 3.26Å; E498-K599 IonicContact OE1-NZ 3.2Å; E498-K599 PolarHBondContact OE1-NZ 3.02Å; E498-K599 WeakPolarHBondContact OE2-CD 3.41Å; E498-K599 IonicContact OE2-NZ 2.82Å; E498-K599 PolarHBondContact OE2-NZ 2.85Å; N499-K599 PolarHBondContact O-N 3.05Å; M501-K599 PolarHBondContact N-O 2.95Å; S585-K599 CarbonylContact O-C 3.44Å; S585-K599 WeakPolarHBondContact O-CA 3.22Å
600	A	92.6	Very high	89.2	Confident	0 Å²	0	33 Å²	33	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	140	-179.1	0	0	0	0	0	111.6	M501 I503 F583 N584 S585 L587 V598	M501-A600 CarbonylContact O-C 3.57Å; M501-A600 WeakPolarHBondContact O-CA 3.48Å; I503-A600 HydrophobicContact CD1-CB 3.9Å; I503-A600 HydrophobicContact CG1-CB 4.37Å; F583-A600 WeakPolarHBondContact CD1-O 3.27Å; N584-A600 WeakPolarHBondContact CA-O 3.5Å; S585-A600 PolarHBondContact N-O 3.2Å; S585-A600 PolarHBondContact O-N 3.02Å; S585-A600 VanDerWaalsContact O-O 3.08Å; L587-A600 HydrophobicContact CB-CB 3.55Å; L587-A600 HydrophobicContact CD2-CB 3.69Å; L587-A600 HydrophobicContact CG-CB 4.28Å; V598-A600 HydrophobicContact CG1-CB 4.22Å
601	R	94.3	Very high	90	Very high	59 Å²	59	29.9 Å²	29.9	22%	0.223	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	108.7	164.2	178.4	175.9	60.3	178.8	4.2	108.7	M501 D502 I503 R536 K581 F583 N584 Y603	M501-R601 PolarHBondContact O-N 3.26Å; D502-R601 IonicContact OD1-CZ 3.44Å; D502-R601 VanDerWaalsContact OD1-CZ 3.23Å; D502-R601 IonicContact OD1-NE 2.96Å; D502-R601 PolarHBondContact OD1-NE 3.15Å; D502-R601 IonicContact OD1-NH2 3.98Å; D502-R601 PolarHBondContact OD1-NH2 3.35Å; D502-R601 IonicContact OD2-CZ 3.49Å; D502-R601 IonicContact OD2-NE 2.7Å; D502-R601 IonicContact OD2-NH2 2.72Å; D502-R601 PolarHBondContact OD2-NH2 3.25Å; I503-R601 PolarHBondContact N-O 3.34Å; R536-R601 VanDerWaalsContact NE-NH2 3.16Å; K581-R601 HydrophobicContact CD-CG 4.25Å; K581-R601 HydrophobicContact CG-CG 4.1Å; F583-R601 CarbonylContact O-C 3.55Å; F583-R601 VanDerWaalsContact O-CA 3.26Å; F583-R601 WeakPolarHBondContact O-CA 3.31Å; N584-R601 HydrophobicContact CB-CB 4.48Å; N584-R601 HydrophobicContact CB-CG 4.34Å; R601-Y603 HydrophobicContact CG-CD1 4.23Å
602	V	94.5	Very high	90.6	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	129.5	173.1	-170.7	0	0	0	0	107.9	I503 I505 L582 F583 F648 I656	I503-V602 HydrophobicContact CB-CG2 4.13Å; I503-V602 HydrophobicContact CD1-CG2 4.2Å; I503-V602 WeakPolarHBondContact O-CA 3.28Å; I505-V602 HydrophobicContact CD1-CG1 3.78Å; I505-V602 HydrophobicContact CG1-CG1 4.33Å; L582-V602 HydrophobicContact CB-CB 4.41Å; L582-V602 HydrophobicContact CB-CG1 4.39Å; L582-V602 HydrophobicContact CD1-CG1 4.19Å; L582-V602 PolarHBondContact N-O 3.43Å; F583-V602 HydrophobicContact CB-CB 3.95Å; F583-V602 HydrophobicContact CB-CG2 3.99Å; F583-V602 HydrophobicContact CD1-CG2 4.31Å; F583-V602 PolarHBondContact N-O 3.46Å; F583-V602 PolarHBondContact O-N 2.87Å; V602-F648 HydrophobicContact CG1-CE2 4.32Å; V602-F648 HydrophobicContact CG1-CZ 3.81Å; V602-F648 HydrophobicContact CG2-CE1 4.38Å; V602-F648 HydrophobicContact CG2-CZ 4.16Å; V602-I656 HydrophobicContact CG2-CD1 4.18Å
603	Y	94.9	Very high	91.1	Very high	1 Å²	1	26 Å²	26	0%	0.004	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	147.2	177	57.9	-97.7	0	0	0	111.6	D502 I503 P504 I505 K579 R580 R601	D502-Y603 HydrophobicContact CB-CE1 3.9Å; I503-Y603 PolarHBondContact O-N 3.31Å; I503-Y603 VanDerWaalsContact O-N 3.17Å; P504-Y603 HydrophobicContact CB-CD2 4.47Å; P504-Y603 HydrophobicContact CB-CE2 3.62Å; I505-Y603 PolarHBondContact N-O 2.94Å; K579-Y603 HydrophobicContact CB-CD2 3.57Å; K579-Y603 HydrophobicContact CB-CE2 4.12Å; K579-Y603 HydrophobicContact CB-CG 4.17Å; K579-Y603 HydrophobicContact CD-CD1 4.27Å; K579-Y603 HydrophobicContact CD-CD2 3.56Å; K579-Y603 HydrophobicContact CD-CE1 4.17Å; K579-Y603 HydrophobicContact CD-CE2 3.43Å; K579-Y603 VanDerWaalsContact CD-CE2 3.43Å; K579-Y603 HydrophobicContact CD-CG 3.96Å; K579-Y603 HydrophobicContact CG-CD2 4.05Å; K579-Y603 HydrophobicContact CG-CE2 4.37Å; K579-Y603 HydrophobicContact CG-CG 4.35Å; R580-Y603 CarbonylContact O-C 3.56Å; R580-Y603 VanDerWaalsContact O-CA 3.27Å; R580-Y603 WeakPolarHBondContact O-CA 3.31Å; R580-Y603 WeakPolarHBondContact O-CB 3.45Å; R601-Y603 HydrophobicContact CG-CD1 4.23Å
604	I	93.9	Very high	91.4	Very high	3 Å²	3	26.7 Å²	26.7	2%	0.015	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	137.9	171	-60.8	169.3	0	0	0	108.2	I505 K579 R580 L582 T606 L643 I713 I719	I505-I604 HydrophobicContact CB-CG1 4.32Å; I505-I604 CarbonylContact O-C 3.57Å; I505-I604 WeakPolarHBondContact O-CA 3.5Å; K579-I604 WeakPolarHBondContact CA-O 3.47Å; R580-I604 PolarHBondContact N-O 2.96Å; R580-I604 PolarHBondContact O-N 2.96Å; L582-I604 HydrophobicContact CD1-CD1 3.62Å; L582-I604 HydrophobicContact CD1-CG1 3.62Å; L582-I604 HydrophobicContact CD2-CD1 3.93Å; L582-I604 HydrophobicContact CG-CD1 3.89Å; L582-I604 HydrophobicContact CG-CG1 3.98Å; I604-T606 HydrophobicContact CG2-CG2 4.46Å; I604-L643 HydrophobicContact CD1-CD1 4.03Å; I604-L643 HydrophobicContact CD1-CD2 4.25Å; I604-L643 HydrophobicContact CG1-CD1 4.49Å; I604-I713 HydrophobicContact CB-CD1 3.9Å; I604-I713 HydrophobicContact CD1-CD1 3.92Å; I604-I713 HydrophobicContact CG1-CD1 4.39Å; I604-I713 HydrophobicContact CG2-CD1 4.47Å; I604-I719 HydrophobicContact CD1-CD1 4.2Å
605	L	93.9	Very high	91.6	Very high	5 Å²	5	29.4 Å²	29.4	3%	0.026	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	113	166.2	-176.6	63.5	0	0	0	108.9	I505 L507 D575 M576 K579 V607 L613	I505-L605 PolarHBondContact O-N 2.98Å; L507-L605 PolarHBondContact N-O 3.07Å; D575-L605 WeakPolarHBondContact O-CD1 3.26Å; M576-L605 HydrophobicContact SD-CD2 3.59Å; M576-L605 VanDerWaalsContact SD-CD2 3.59Å; K579-L605 HydrophobicContact CB-CB 4.28Å; K579-L605 HydrophobicContact CB-CD1 4.09Å; L605-V607 HydrophobicContact CG-CG2 4.45Å; L605-L613 HydrophobicContact CD2-CD1 3.24Å; L605-L613 HydrophobicContact CG-CD1 4.41Å
606	T	92.2	Very high	91.9	Very high	70 Å²	70	30 Å²	30	43%	0.429	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	120.6	171.2	45.3	0	0	0	0	109	L507 I604 I719	L507-T606 HydrophobicContact CD2-CG2 4.4Å; L507-T606 CarbonylContact O-C 3.59Å; L507-T606 WeakPolarHBondContact O-CA 3.27Å; I604-T606 HydrophobicContact CG2-CG2 4.46Å; T606-I719 HydrophobicContact CG2-CG2 4.43Å
607	V	93.6	Very high	92.1	Very high	5 Å²	5	33.5 Å²	33.5	3%	0.03	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	110	-172.4	-175.8	0	0	0	0	108.7	L506 L507 R508 L605 L613 Y614	L506-V607 HydrophobicContact CB-CG2 4.2Å; L506-V607 HydrophobicContact CG-CG2 4.28Å; L507-V607 PolarHBondContact O-N 3.14Å; R508-V607 HydrophobicContact CB-CB 4.05Å; L605-V607 HydrophobicContact CG-CG2 4.45Å; V607-L613 HydrophobicContact CG1-CB 3.76Å; V607-L613 HydrophobicContact CG2-CB 4.16Å; V607-Y614 VanDerWaalsContact CG1-CA 3.49Å; V607-Y614 HydrophobicContact CG1-CD2 4.14Å
608	S	90.8	Very high	92.1	Very high	58 Å²	58	34 Å²	34	41%	0.406	18%	0.181	S	C	.	.			trans	-79.6	161.2	174.2	67.6	0	0	0	0	111.8	T610 S611 Y614	S608-T610 PolarHBondContact O-N 2.99Å; S608-T610 VanDerWaalsContact O-N 3.17Å; S608-T610 PolarHBondContact OG-OG1 3.18Å; S608-S611 WeakPolarHBondContact O-CB 3.32Å; S608-S611 PolarHBondContact O-N 2.7Å; S608-Y614 WeakPolarHBondContact O-CB 3.44Å; S608-Y614 WeakPolarHBondContact O-CD2 3.49Å
609	E	89.1	Confident	92	Very high	140 Å²	140	43.6 Å²	43.6	65%	0.654	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-30.7	178.6	-62	-173.1	175.5	0	0	113.4	S611 Y614	E609-S611 VanDerWaalsContact C-N 3.26Å; E609-S611 PolarHBondContact O-N 3.48Å; E609-Y614 HydrophobicContact CB-CE2 4.41Å; E609-Y614 HydrophobicContact CG-CD2 4.39Å; E609-Y614 HydrophobicContact CG-CE1 4.19Å; E609-Y614 HydrophobicContact CG-CE2 3.78Å
610	T	89.2	Confident	91.7	Very high	105 Å²	105	42.1 Å²	42.1	64%	0.644	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-6	177.5	61	0	0	0	0	113.8	K571 S608	K571-T610 WeakPolarHBondContact CE-O 3.45Å; K571-T610 PolarHBondContact NZ-O 3.02Å; S608-T610 PolarHBondContact O-N 2.99Å; S608-T610 VanDerWaalsContact O-N 3.17Å; S608-T610 PolarHBondContact OG-OG1 3.18Å
611	S	91.9	Very high	91.1	Very high	6 Å²	6	48.1 Å²	48.1	4%	0.042	26%	0.258	C	S	.	.	S	Bend	trans	-78.4	145.9	-179.2	180	0	0	0	0	111.9	D575 S608 E609 L613 Y614	D575-S611 WeakPolarHBondContact OD2-CA 3.39Å; D575-S611 WeakPolarHBondContact OD2-CB 3.35Å; D575-S611 PolarHBondContact OD2-OG 3.15Å; S608-S611 WeakPolarHBondContact O-CB 3.32Å; S608-S611 PolarHBondContact O-N 2.7Å; E609-S611 VanDerWaalsContact C-N 3.26Å; E609-S611 PolarHBondContact O-N 3.48Å; S611-L613 PolarHBondContact O-N 3.25Å; S611-L613 PolarHBondContact OG-N 2.9Å; S611-Y614 WeakPolarHBondContact O-CB 3.46Å; S611-Y614 PolarHBondContact O-N 2.77Å; S611-Y614 VanDerWaalsContact O-N 3.15Å
612	C	92.4	Very high	90.7	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-22.9	171.6	-63.8	0	0	0	0	113.2	C567 F572 D575 Y614	C567-C612 WeakPolarHBondContact CA-SG 3.37Å; C567-C612 HydrophobicContact CB-CB 3.9Å; C567-C612 WeakPolarHBondContact CB-SG 3.24Å; C567-C612 WeakPolarHBondContact SG-CA 3.44Å; C567-C612 WeakPolarHBondContact SG-CB 3.36Å; C567-C612 CovalentContact SG-SG 2.05Å; C567-C612 PolarHBondContact SG-SG 3.24Å; F572-C612 HydrophobicContact CB-CB 4.44Å; F572-C612 HydrophobicContact CD2-CB 4.24Å; D575-C612 PolarHBondContact OD2-N 2.75Å; C612-Y614 VanDerWaalsContact C-N 3.34Å
613	L	92.9	Very high	90.3	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-9.9	177.9	-64	165.7	0	0	0	113.2	L506 F556 F572 M576 L605 V607 S611 L616	L506-L613 HydrophobicContact CD2-CB 4.32Å; L506-L613 HydrophobicContact CD2-CD1 4.25Å; L506-L613 HydrophobicContact CD2-CD2 4.07Å; L506-L613 HydrophobicContact CD2-CG 4.47Å; F556-L613 HydrophobicContact CB-CD2 3.87Å; F556-L613 HydrophobicContact CG-CD2 4.39Å; F572-L613 HydrophobicContact CD2-CD2 4.27Å; F572-L613 HydrophobicContact CE2-CD2 3.49Å; F572-L613 VanDerWaalsContact CE2-CD2 3.49Å; F572-L613 HydrophobicContact CE2-CG 4.17Å; F572-L613 HydrophobicContact CZ-CD2 4.24Å; M576-L613 HydrophobicContact CG-CD1 4.46Å; M576-L613 HydrophobicContact SD-CD1 3.7Å; L605-L613 HydrophobicContact CD2-CD1 3.24Å; L605-L613 HydrophobicContact CG-CD1 4.41Å; V607-L613 HydrophobicContact CG1-CB 3.76Å; V607-L613 HydrophobicContact CG2-CB 4.16Å; S611-L613 PolarHBondContact O-N 3.25Å; S611-L613 PolarHBondContact OG-N 2.9Å; L613-L616 HydrophobicContact CD2-CD1 4.27Å; L613-L616 HydrophobicContact CD2-CD2 4.18Å
614	Y	92.4	Very high	89.6	Confident	16 Å²	16	52.5 Å²	52.5	6%	0.063	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-46.7	-172.9	-168.3	-98.9	0	0	0	111.9	R508 R509 Y510 V607 S608 E609 S611 C612	R508-Y614 HydrophobicContact CB-CD2 4.14Å; R508-Y614 HydrophobicContact CB-CE2 4.05Å; R508-Y614 HydrophobicContact CG-CE2 4.44Å; R508-Y614 PolarHBondContact NH1-O 3.35Å; R509-Y614 WeakPolarHBondContact O-CE2 3.25Å; R509-Y614 PolarHBondContact O-OH 2.99Å; Y510-Y614 HydrophobicContact CD2-CE1 4.04Å; Y510-Y614 AromaticContact CD2-CZ 3.95Å; Y510-Y614 WeakPolarHBondContact CD2-OH 3.45Å; Y510-Y614 HydrophobicContact CE2-CE1 4.47Å; V607-Y614 VanDerWaalsContact CG1-CA 3.49Å; V607-Y614 HydrophobicContact CG1-CD2 4.14Å; S608-Y614 WeakPolarHBondContact O-CB 3.44Å; S608-Y614 WeakPolarHBondContact O-CD2 3.49Å; E609-Y614 HydrophobicContact CB-CE2 4.41Å; E609-Y614 HydrophobicContact CG-CD2 4.39Å; E609-Y614 HydrophobicContact CG-CE1 4.19Å; E609-Y614 HydrophobicContact CG-CE2 3.78Å; S611-Y614 WeakPolarHBondContact O-CB 3.46Å; S611-Y614 PolarHBondContact O-N 2.77Å; S611-Y614 VanDerWaalsContact O-N 3.15Å; C612-Y614 VanDerWaalsContact C-N 3.34Å
615	N	89.2	Confident	89	Confident	67 Å²	67	52.7 Å²	52.7	36%	0.358	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120	61.8	-178.6	-69.9	-30.5	0	0	0	111	R508 R564	R508-N615 PolarHBondContact NH1-OD1 3.12Å; R564-N615 PolarHBondContact NH2-ND2 3.37Å
616	L	91.8	Very high	88.6	Confident	13 Å²	13	57.8 Å²	57.8	7%	0.068	31%	0.306	C	S	.	.			trans	-58.4	142.4	172.2	-68.3	173.6	0	0	0	111.1	L517 F556 M559 V560 L613 L618	L517-L616 HydrophobicContact CD2-CD1 3.9Å; F556-L616 HydrophobicContact CD1-CD1 4.12Å; M559-L616 HydrophobicContact CB-CB 4.39Å; M559-L616 HydrophobicContact CB-CD2 4.14Å; M559-L616 HydrophobicContact CE-CD1 4.38Å; V560-L616 HydrophobicContact CG2-CD2 4.06Å; L613-L616 HydrophobicContact CD2-CD1 4.27Å; L613-L616 HydrophobicContact CD2-CD2 4.18Å; L616-L618 VanDerWaalsContact C-N 3.31Å; L616-L618 HydrophobicContact CB-CD2 3.9Å; L616-L618 HydrophobicContact CB-CG 4.44Å; L616-L618 PolarHBondContact O-N 3.18Å
617	N	92.3	Very high	88.5	Confident	73 Å²	73	54.9 Å²	54.9	39%	0.39	29%	0.288	S	S	.	.			trans	-77.1	82.9	172.1	-177.5	9.8	0	0	0	109.9	M559 P561 K619 S620	M559-N617 WeakPolarHBondContact O-CB 3.31Å; M559-N617 PolarHBondContact O-N 2.69Å; P561-N617 HydrophobicContact CG-CB 4.21Å; N617-K619 PolarHBondContact O-N 2.81Å; N617-K619 PolarHBondContact OD1-N 3.22Å; N617-S620 WeakPolarHBondContact O-CB 3.37Å; N617-S620 PolarHBondContact O-N 2.9Å; N617-S620 PolarHBondContact OD1-N 2.57Å
618	L	90.6	Very high	88.3	Confident	44 Å²	44	58.1 Å²	58.1	23%	0.23	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-12	-179.3	-57.5	-180	0	0	0	113.9	L517 M559 L616 S620 N623 W629	L517-L618 HydrophobicContact CD1-CD1 4.07Å; L517-L618 HydrophobicContact CD1-CD2 3.9Å; M559-L618 HydrophobicContact SD-CD2 4.38Å; L616-L618 VanDerWaalsContact C-N 3.31Å; L616-L618 HydrophobicContact CB-CD2 3.9Å; L616-L618 HydrophobicContact CB-CG 4.44Å; L616-L618 PolarHBondContact O-N 3.18Å; L618-S620 VanDerWaalsContact C-N 3.31Å; L618-N623 PolarHBondContact O-ND2 3.18Å; L618-W629 VanDerWaalsContact CD1-CD1 3.47Å; L618-W629 HydrophobicContact CD1-CG 4.35Å
619	K	88.2	Confident	88.4	Confident	201 Å²	201	56.9 Å²	56.9	87%	0.874	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-3.1	171.1	-62.2	-176.7	179.2	-178.3	0	112.8	N617	N617-K619 PolarHBondContact O-N 2.81Å; N617-K619 PolarHBondContact OD1-N 3.22Å
620	S	85.6	Confident	88.5	Confident	19 Å²	19	56.1 Å²	56.1	13%	0.133	28%	0.28	C	S	.	.	S	Bend	trans	-59.7	139.6	177.3	179.3	0	0	0	0	110.6	N617 L618 S622 N623	N617-S620 WeakPolarHBondContact O-CB 3.37Å; N617-S620 PolarHBondContact O-N 2.9Å; N617-S620 PolarHBondContact OD1-N 2.57Å; L618-S620 VanDerWaalsContact C-N 3.31Å; S620-S622 PolarHBondContact O-N 3.47Å; S620-S622 VanDerWaalsContact O-N 3.12Å; S620-S622 WeakPolarHBondContact OG-CB 3.22Å; S620-S622 PolarHBondContact OG-N 2.65Å; S620-S622 PolarHBondContact OG-OG 3.3Å; S620-N623 WeakPolarHBondContact O-CB 3.24Å; S620-N623 PolarHBondContact O-N 3.35Å
621	P	80.2	Confident	88.6	Confident	126 Å²	126	54.4 Å²	54.4	82%	0.818	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-20.6	171.1	26	-34.8	0	0	0	112.6	N623	P621-N623 PolarHBondContact O-N 2.75Å
622	S	85.2	Confident	88.5	Confident	43 Å²	43	56.7 Å²	56.7	30%	0.301	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-18.3	173.3	-49.8	0	0	0	0	113.4	Y555 S558 S620 Y624	Y555-S622 WeakPolarHBondContact CE2-O 3.49Å; S558-S622 VanDerWaalsContact OG-CB 3.26Å; S558-S622 WeakPolarHBondContact OG-CB 3.26Å; S620-S622 PolarHBondContact O-N 3.47Å; S620-S622 VanDerWaalsContact O-N 3.12Å; S620-S622 WeakPolarHBondContact OG-CB 3.22Å; S620-S622 PolarHBondContact OG-N 2.65Å; S620-S622 PolarHBondContact OG-OG 3.3Å; S622-Y624 VanDerWaalsContact O-CD1 3.25Å; S622-Y624 WeakPolarHBondContact O-CD1 3.44Å; S622-Y624 PolarHBondContact O-N 2.89Å
623	N	86.1	Confident	88.1	Confident	8 Å²	8	64.3 Å²	64.3	4%	0.043	32%	0.315	C	S	.	.			trans	-77.8	54.8	176	-170.1	21	0	0	0	111.7	Y555 M559 L618 S620 P621 L625 H626 Y627	Y555-N623 WeakPolarHBondContact OH-CA 3.35Å; Y555-N623 PolarHBondContact OH-OD1 3.37Å; M559-N623 HydrophobicContact CG-CB 4.27Å; M559-N623 HydrophobicContact SD-CB 3.48Å; M559-N623 WeakPolarHBondContact SD-CB 3.39Å; M559-N623 VanDerWaalsContact SD-CG 3.54Å; M559-N623 PolarHBondContact SD-OD1 2.87Å; L618-N623 PolarHBondContact O-ND2 3.18Å; S620-N623 WeakPolarHBondContact O-CB 3.24Å; S620-N623 PolarHBondContact O-N 3.35Å; P621-N623 PolarHBondContact O-N 2.75Å; N623-L625 PolarHBondContact O-N 3Å; N623-H626 WeakPolarHBondContact O-CA 3.11Å; N623-H626 PolarHBondContact O-N 2.99Å; N623-H626 PolarHBondContact OD1-N 2.88Å; N623-Y627 PolarHBondContact ND2-N 2.9Å; N623-Y627 VanDerWaalsContact ND2-N 3.15Å; N623-Y627 PolarHBondContact ND2-O 3.43Å; N623-Y627 WeakPolarHBondContact OD1-CB 3.09Å; N623-Y627 PolarHBondContact OD1-N 2.95Å
624	Y	79.2	Confident	87.7	Confident	100 Å²	100	68.2 Å²	68.2	39%	0.392	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-15.1	-176.3	62.3	-102.7	0	0	0	113.6	Y555 S622 H626	Y555-Y624 HydrophobicContact CD2-CD1 4.42Å; Y555-Y624 AromaticContact CD2-CE1 3.59Å; Y555-Y624 HydrophobicContact CD2-CE1 3.59Å; Y555-Y624 HydrophobicContact CD2-CE2 4.5Å; Y555-Y624 AromaticContact CD2-CZ 3.61Å; Y555-Y624 WeakPolarHBondContact CD2-OH 3.47Å; Y555-Y624 AromaticContact CE2-CD1 3.73Å; Y555-Y624 HydrophobicContact CE2-CD1 3.73Å; Y555-Y624 HydrophobicContact CE2-CD2 4.34Å; Y555-Y624 AromaticContact CE2-CE1 3.31Å; Y555-Y624 HydrophobicContact CE2-CE1 3.31Å; Y555-Y624 AromaticContact CE2-CE2 3.95Å; Y555-Y624 HydrophobicContact CE2-CE2 3.95Å; Y555-Y624 HydrophobicContact CE2-CG 4.22Å; Y555-Y624 AromaticContact CE2-CZ 3.4Å; Y555-Y624 VanDerWaalsContact CE2-CZ 3.4Å; Y555-Y624 PolarHBondContact OH-N 2.79Å; S622-Y624 VanDerWaalsContact O-CD1 3.25Å; S622-Y624 WeakPolarHBondContact O-CD1 3.44Å; S622-Y624 PolarHBondContact O-N 2.89Å; Y624-H626 PolarHBondContact O-CD2 2.77Å
625	L	82.1	Confident	87.2	Confident	7 Å²	7	71 Å²	71	4%	0.037	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85	2.7	169.9	-60.8	171.2	0	0	0	112.6	A519 G521 D523 A532 F534 Y555 N623 Y627	A519-L625 HydrophobicContact CB-CB 4.4Å; G521-L625 VanDerWaalsContact CA-O 3.32Å; G521-L625 WeakPolarHBondContact CA-O 3.45Å; G521-L625 PolarHBondContact N-O 3.02Å; D523-L625 HydrophobicContact CB-CD2 4.14Å; A532-L625 HydrophobicContact CB-CD1 3.86Å; F534-L625 HydrophobicContact CE1-CD1 3.87Å; F534-L625 HydrophobicContact CZ-CD1 3.56Å; Y555-L625 HydrophobicContact CE1-CD1 4.06Å; Y555-L625 HydrophobicContact CE2-CD1 4.07Å; Y555-L625 HydrophobicContact CE2-CG 4.21Å; Y555-L625 WeakPolarHBondContact OH-CB 3.4Å; Y555-L625 PolarHBondContact OH-N 2.73Å; Y555-L625 VanDerWaalsContact OH-N 3.12Å; N623-L625 PolarHBondContact O-N 3Å; L625-Y627 VanDerWaalsContact C-N 3.27Å; L625-Y627 HydrophobicContact CB-CD2 3.82Å; L625-Y627 HydrophobicContact CB-CE2 3.79Å; L625-Y627 HydrophobicContact CD1-CD2 4.48Å; L625-Y627 HydrophobicContact CD1-CE2 3.7Å; L625-Y627 HydrophobicContact CG-CE2 4.39Å; L625-Y627 PolarHBondContact O-N 3.03Å
626	H	85.4	Confident	86.9	Confident	113 Å²	113	69.7 Å²	69.7	52%	0.523	35%	0.352	S	S	.	.			trans	47.9	49.3	179.2	-53.8	-74.5	0	0	0	112.1	T520 N623 Y624 E628	T520-H626 PolarHBondContact N-O 2.99Å; T520-H626 PolarHBondContact OG1-O 3.29Å; N623-H626 WeakPolarHBondContact O-CA 3.11Å; N623-H626 PolarHBondContact O-N 2.99Å; N623-H626 PolarHBondContact OD1-N 2.88Å; Y624-H626 PolarHBondContact O-CD2 2.77Å; H626-E628 PolarHBondContact O-N 2.84Å
627	Y	89.4	Confident	86.6	Confident	8 Å²	8	69 Å²	69	3%	0.031	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	138.6	174.8	-84	-80.4	0	0	0	111.4	L517 V518 A519 A532 F534 Y555 F556 N623 L625	L517-Y627 HydrophobicContact CB-CD1 4.5Å; L517-Y627 HydrophobicContact CD1-CD1 4.45Å; L517-Y627 HydrophobicContact CD2-CD1 4.03Å; L517-Y627 HydrophobicContact CD2-CG 4.23Å; L517-Y627 HydrophobicContact CG-CD1 3.61Å; L517-Y627 HydrophobicContact CG-CE1 4.34Å; L517-Y627 HydrophobicContact CG-CG 4.07Å; V518-Y627 CarbonylContact O-C 3.34Å; V518-Y627 VanDerWaalsContact O-CA 3.28Å; V518-Y627 WeakPolarHBondContact O-CA 3.44Å; V518-Y627 WeakPolarHBondContact O-CD1 3.47Å; A519-Y627 HydrophobicContact CB-CD1 3.98Å; A519-Y627 HydrophobicContact CB-CE1 3.81Å; A519-Y627 HydrophobicContact CB-CE2 4.35Å; A519-Y627 HydrophobicContact CB-CG 4.39Å; A519-Y627 VanDerWaalsContact N-CD1 3.32Å; A532-Y627 WeakPolarHBondContact CB-OH 3.37Å; F534-Y627 WeakPolarHBondContact CE2-OH 3.33Å; F534-Y627 HydrophobicContact CZ-CE2 4.22Å; Y555-Y627 HydrophobicContact CD1-CE2 4.27Å; Y555-Y627 AromaticContact CE1-CD2 3.57Å; Y555-Y627 HydrophobicContact CE1-CD2 3.57Å; Y555-Y627 AromaticContact CE1-CE2 3.45Å; Y555-Y627 HydrophobicContact CE1-CE2 3.45Å; Y555-Y627 VanDerWaalsContact CE1-CE2 3.45Å; F556-Y627 HydrophobicContact CE1-CD2 4.41Å; F556-Y627 HydrophobicContact CE1-CE2 4.06Å; F556-Y627 HydrophobicContact CZ-CE2 4.37Å; N623-Y627 PolarHBondContact ND2-N 2.9Å; N623-Y627 VanDerWaalsContact ND2-N 3.15Å; N623-Y627 PolarHBondContact ND2-O 3.43Å; N623-Y627 WeakPolarHBondContact OD1-CB 3.09Å; N623-Y627 PolarHBondContact OD1-N 2.95Å; L625-Y627 VanDerWaalsContact C-N 3.27Å; L625-Y627 HydrophobicContact CB-CD2 3.82Å; L625-Y627 HydrophobicContact CB-CE2 3.79Å; L625-Y627 HydrophobicContact CD1-CD2 4.48Å; L625-Y627 HydrophobicContact CD1-CE2 3.7Å; L625-Y627 HydrophobicContact CG-CE2 4.39Å; L625-Y627 PolarHBondContact O-N 3.03Å
628	E	90.3	Very high	86.3	Confident	74 Å²	74	69.8 Å²	69.8	35%	0.346	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	151.5	171.8	68	-176.6	-160.4	0	0	111.3	L517 V518 T520 H626 R630	L517-E628 WeakPolarHBondContact CA-O 3.41Å; V518-E628 HydrophobicContact CG2-CG 3.96Å; V518-E628 PolarHBondContact N-O 3.1Å; V518-E628 PolarHBondContact O-N 3.19Å; T520-E628 HydrophobicContact CG2-CG 3.7Å; T520-E628 WeakPolarHBondContact CG2-OE1 3.39Å; H626-E628 PolarHBondContact O-N 2.84Å; E628-R630 HydrophobicContact CG-CG 4.21Å; E628-R630 IonicContact OE1-CZ 3.67Å; E628-R630 IonicContact OE1-NE 3.66Å; E628-R630 PolarHBondContact OE1-NE 2.8Å; E628-R630 IonicContact OE1-NH2 3.8Å; E628-R630 PolarHBondContact OE1-NH2 3.47Å
629	W	93.3	Very high	86.4	Confident	32 Å²	32	68.6 Å²	68.6	12%	0.121	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	117.9	171.6	-71.4	108.5	0	0	0	109.4	L506 R508 Q515 L517 L618	L506-W629 HydrophobicContact CB-CH2 4Å; L506-W629 HydrophobicContact CB-CZ3 4.4Å; R508-W629 HydrophobicContact CB-CH2 4.08Å; R508-W629 HydrophobicContact CB-CZ3 4.06Å; R508-W629 HydrophobicContact CG-CD2 4.27Å; R508-W629 HydrophobicContact CG-CE3 3.8Å; R508-W629 HydrophobicContact CG-CH2 3.89Å; R508-W629 HydrophobicContact CG-CZ2 4.35Å; R508-W629 HydrophobicContact CG-CZ3 3.59Å; R508-W629 VanDerWaalsContact CZ-CD1 3.41Å; R508-W629 VanDerWaalsContact NE-CD2 3.28Å; Q515-W629 HydrophobicContact CB-CB 4.41Å; Q515-W629 HydrophobicContact CB-CE3 3.95Å; L517-W629 HydrophobicContact CB-CD2 4.18Å; L517-W629 HydrophobicContact CB-CE3 3.83Å; L517-W629 HydrophobicContact CB-CH2 3.87Å; L517-W629 HydrophobicContact CB-CZ2 4.2Å; L517-W629 HydrophobicContact CB-CZ3 3.67Å; L517-W629 HydrophobicContact CD1-CD2 3.72Å; L517-W629 HydrophobicContact CD1-CE3 4.26Å; L517-W629 HydrophobicContact CD1-CG 3.99Å; L517-W629 HydrophobicContact CD1-CZ2 4.08Å; L517-W629 HydrophobicContact CG-CZ2 4.48Å; L618-W629 VanDerWaalsContact CD1-CD1 3.47Å; L618-W629 HydrophobicContact CD1-CG 4.35Å
630	R	91	Very high	86.5	Confident	123 Å²	123	59 Å²	59	46%	0.464	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	133.5	172.6	-74.9	-166.2	-172.9	-179.8	-6	111.4	Q515 I516 V518 E628 F632	Q515-R630 CarbonylContact C-O 3.57Å; Q515-R630 WeakPolarHBondContact CA-O 3.49Å; I516-R630 PolarHBondContact N-O 2.87Å; I516-R630 PolarHBondContact O-N 2.87Å; V518-R630 HydrophobicContact CG2-CB 4.1Å; V518-R630 HydrophobicContact CG2-CG 3.56Å; E628-R630 HydrophobicContact CG-CG 4.21Å; E628-R630 IonicContact OE1-CZ 3.67Å; E628-R630 IonicContact OE1-NE 3.66Å; E628-R630 PolarHBondContact OE1-NE 2.8Å; E628-R630 IonicContact OE1-NH2 3.8Å; E628-R630 PolarHBondContact OE1-NH2 3.47Å; R630-F632 HydrophobicContact CB-CD2 4.47Å; R630-F632 HydrophobicContact CB-CE2 3.79Å; R630-F632 HydrophobicContact CB-CZ 4.45Å; R630-F632 VanDerWaalsContact O-CD2 3.28Å; R630-F632 WeakPolarHBondContact O-CD2 3.36Å
631	S	91.6	Very high	86.8	Confident	69 Å²	69	60.4 Å²	60.4	48%	0.483	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	139.4	173.2	-63.4	0	0	0	0	111.2	T513 R514 Q515	T513-S631 PolarHBondContact OG1-OG 2.76Å; R514-S631 WeakPolarHBondContact O-CA 3.48Å; Q515-S631 WeakPolarHBondContact CG-OG 3.39Å; Q515-S631 PolarHBondContact NE2-OG 3.35Å
632	F	88.4	Confident	87.3	Confident	55 Å²	55	57 Å²	57	24%	0.241	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	156.1	175.6	-71.3	-97.3	0	0	0	109.9	R514 I516 R630 T636 L637 M647	R514-F632 PolarHBondContact O-N 3.3Å; I516-F632 HydrophobicContact CB-CD2 4.22Å; I516-F632 HydrophobicContact CB-CE2 3.89Å; I516-F632 HydrophobicContact CD1-CD2 4.3Å; I516-F632 HydrophobicContact CD1-CE2 4.31Å; I516-F632 HydrophobicContact CG1-CD2 4.24Å; I516-F632 HydrophobicContact CG1-CE2 4.31Å; R630-F632 HydrophobicContact CB-CD2 4.47Å; R630-F632 HydrophobicContact CB-CE2 3.79Å; R630-F632 HydrophobicContact CB-CZ 4.45Å; R630-F632 VanDerWaalsContact O-CD2 3.28Å; R630-F632 WeakPolarHBondContact O-CD2 3.36Å; F632-T636 HydrophobicContact CD1-CG2 4.17Å; F632-L637 HydrophobicContact CB-CD1 3.62Å; F632-L637 HydrophobicContact CB-CD2 4.43Å; F632-L637 HydrophobicContact CB-CG 3.84Å; F632-L637 HydrophobicContact CD2-CD1 4.4Å; F632-L637 HydrophobicContact CG-CD1 4.19Å; F632-L637 HydrophobicContact CG-CG 4.45Å; F632-M647 HydrophobicContact CZ-SD 4.2Å
633	K	85.8	Confident	87.6	Confident	160 Å²	160	55 Å²	55	70%	0.696	27%	0.267	S	S	*	.			trans	-67.5	145	172.7	-64.5	-178.3	179.9	-179.6	0	109.7	S635 T636 L637	K633-S635 VanDerWaalsContact C-N 3.25Å; K633-S635 PolarHBondContact O-N 2.84Å; K633-T636 VanDerWaalsContact O-CB 3.27Å; K633-T636 WeakPolarHBondContact O-CB 3.24Å; K633-T636 PolarHBondContact O-N 3.2Å; K633-L637 PolarHBondContact O-N 3.07Å
634	D	82.8	Confident	87.8	Confident	82 Å²	82	54.6 Å²	54.6	44%	0.439	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-60	-35.2	-179.8	-85.5	-2.6	0	0	0	112.9	R514 T636 L637 Q638	R514-D634 VanDerWaalsContact CD-OD1 3.26Å; R514-D634 WeakPolarHBondContact CD-OD1 3.42Å; R514-D634 VanDerWaalsContact CG-OD1 3.26Å; R514-D634 WeakPolarHBondContact CG-OD1 3.43Å; R514-D634 IonicContact NE-OD1 2.97Å; R514-D634 PolarHBondContact NE-OD1 3.28Å; D634-T636 VanDerWaalsContact C-N 3.29Å; D634-T636 PolarHBondContact O-N 2.6Å; D634-L637 CarbonylContact O-C 3.42Å; D634-L637 PolarHBondContact O-N 3.31Å; D634-L637 VanDerWaalsContact O-N 3.15Å; D634-Q638 PolarHBondContact O-N 2.82Å
635	S	82.2	Confident	88.3	Confident	73 Å²	73	53.6 Å²	53.6	51%	0.51	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-62.1	-35.1	175.1	55.8	0	0	0	0	113	K633 L637 N642	K633-S635 VanDerWaalsContact C-N 3.25Å; K633-S635 PolarHBondContact O-N 2.84Å; S635-L637 VanDerWaalsContact C-N 3.26Å; S635-L637 PolarHBondContact O-N 2.89Å; S635-N642 PolarHBondContact O-ND2 2.83Å
636	T	83.8	Confident	88.6	Confident	40 Å²	40	55.9 Å²	55.9	25%	0.245	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-66.7	-29.4	177.1	-51.2	0	0	0	0	111.8	F632 K633 D634 N642 S646	F632-T636 HydrophobicContact CD1-CG2 4.17Å; K633-T636 VanDerWaalsContact O-CB 3.27Å; K633-T636 WeakPolarHBondContact O-CB 3.24Å; K633-T636 PolarHBondContact O-N 3.2Å; D634-T636 VanDerWaalsContact C-N 3.29Å; D634-T636 PolarHBondContact O-N 2.6Å; T636-N642 CarbonylContact O-C 3.58Å; T636-N642 WeakPolarHBondContact O-CB 3.46Å; T636-S646 WeakPolarHBondContact CG2-OG 3.35Å
637	L	85.1	Confident	88.6	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-115.3	22.5	-175.9	-56.6	-173.5	0	0	0	113	L507 R514 I516 F632 K633 D634 S635 L643	L507-L637 HydrophobicContact CD1-CD1 3.72Å; R514-L637 HydrophobicContact CB-CD1 3.81Å; R514-L637 PolarHBondContact NH1-O 2.56Å; I516-L637 HydrophobicContact CD1-CD1 3.83Å; I516-L637 HydrophobicContact CD1-CD2 3.56Å; I516-L637 HydrophobicContact CD1-CG 4.38Å; I516-L637 HydrophobicContact CG1-CD1 3.99Å; F632-L637 HydrophobicContact CB-CD1 3.62Å; F632-L637 HydrophobicContact CB-CD2 4.43Å; F632-L637 HydrophobicContact CB-CG 3.84Å; F632-L637 HydrophobicContact CD2-CD1 4.4Å; F632-L637 HydrophobicContact CG-CD1 4.19Å; F632-L637 HydrophobicContact CG-CG 4.45Å; K633-L637 PolarHBondContact O-N 3.07Å; D634-L637 CarbonylContact O-C 3.42Å; D634-L637 PolarHBondContact O-N 3.31Å; D634-L637 VanDerWaalsContact O-N 3.15Å; S635-L637 VanDerWaalsContact C-N 3.26Å; S635-L637 PolarHBondContact O-N 2.89Å; L637-L643 HydrophobicContact CD2-CB 4.19Å; L637-L643 HydrophobicContact CD2-CD1 4.29Å; L637-L643 HydrophobicContact CD2-CG 4.22Å
638	Q	87.1	Confident	88.5	Confident	88 Å²	88	51.7 Å²	51.7	41%	0.411	27%	0.265	S	S	.	.	S	Bend	trans	-68.6	-48.1	-175.9	-173	176.3	24.2	0	0	111.5	D634 Y718 I719	D634-Q638 PolarHBondContact O-N 2.82Å; Q638-Y718 HydrophobicContact CG-CD1 3.74Å; Q638-Y718 HydrophobicContact CG-CE1 3.59Å; Q638-Y718 WeakPolarHBondContact O-CA 3.07Å; Q638-I719 PolarHBondContact O-N 2.91Å
639	T	91	Very high	88.2	Confident	19 Å²	19	52 Å²	52	12%	0.117	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-119.1	160.4	-179.9	63.3	0	0	0	0	111	E641 N642 L643 D717	T639-E641 PolarHBondContact O-N 2.85Å; T639-N642 PolarHBondContact O-N 2.95Å; T639-N642 VanDerWaalsContact OG1-CG 3.29Å; T639-N642 PolarHBondContact OG1-N 2.91Å; T639-N642 PolarHBondContact OG1-OD1 2.76Å; T639-L643 PolarHBondContact O-N 2.81Å; T639-L643 VanDerWaalsContact O-N 3.11Å; T639-D717 WeakPolarHBondContact CA-O 3.3Å
640	A	90.3	Very high	87.6	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-58.3	-35.4	171.8	0	0	0	0	0	112.4	L582 L643 V644 I713 I715 D717	L582-A640 HydrophobicContact CD2-CB 3.72Å; A640-L643 PolarHBondContact O-N 2.9Å; A640-V644 VanDerWaalsContact O-CG2 3.32Å; A640-V644 WeakPolarHBondContact O-CG2 3.48Å; A640-V644 PolarHBondContact O-N 3Å; A640-I713 HydrophobicContact CB-CG2 3.75Å; A640-I715 HydrophobicContact CB-CD1 4.28Å; A640-D717 PolarHBondContact N-O 2.93Å
641	E	92.4	Very high	87.1	Confident	48 Å²	48	55.8 Å²	55.8	22%	0.224	30%	0.295	C	S	.	.	H	α-helix	trans	-60.1	-50.7	174.2	-165	166.3	-177.1	0	0	112.8	T639 L643 V644 N645 I657 I715 H716	T639-E641 PolarHBondContact O-N 2.85Å; E641-L643 VanDerWaalsContact C-N 3.28Å; E641-L643 PolarHBondContact O-N 3.41Å; E641-V644 PolarHBondContact O-N 3.17Å; E641-N645 PolarHBondContact O-N 3.37Å; E641-N645 PolarHBondContact O-ND2 2.99Å; E641-I657 HydrophobicContact CG-CD1 3.96Å; E641-I715 HydrophobicContact CB-CD1 4.3Å; E641-I715 HydrophobicContact CB-CG1 3.85Å; E641-I715 HydrophobicContact CG-CG1 4.17Å; E641-I715 PolarHBondContact N-O 3.06Å; E641-H716 IonicContact OE2-CE1 3.07Å; E641-H716 PolarHBondContact OE2-CE1 3.47Å; E641-H716 IonicContact OE2-ND1 2.68Å; E641-H716 PolarHBondContact OE2-ND1 2.86Å
642	N	91.1	Very high	86.8	Confident	55 Å²	55	54.1 Å²	54.1	29%	0.294	28%	0.28	S	S	.	.	H	α-helix	trans	-62.6	-40.3	-179.4	-67.6	0.6	0	0	0	110.8	S635 T636 T639 N645 S646	S635-N642 PolarHBondContact O-ND2 2.83Å; T636-N642 CarbonylContact O-C 3.58Å; T636-N642 WeakPolarHBondContact O-CB 3.46Å; T639-N642 PolarHBondContact O-N 2.95Å; T639-N642 VanDerWaalsContact OG1-CG 3.29Å; T639-N642 PolarHBondContact OG1-N 2.91Å; T639-N642 PolarHBondContact OG1-OD1 2.76Å; N642-N645 PolarHBondContact O-N 2.91Å; N642-S646 WeakPolarHBondContact O-CB 3.42Å; N642-S646 PolarHBondContact O-N 2.82Å; N642-S646 PolarHBondContact O-OG 2.82Å
643	L	90.7	Very high	86.8	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-60.8	-48.7	174.8	178.5	154.2	0	0	0	111.2	I505 I516 L582 I604 L637 T639 A640 E641 N645 S646 M647 I719	I505-L643 HydrophobicContact CD1-CD2 3.65Å; I505-L643 HydrophobicContact CG2-CD1 4.26Å; I505-L643 HydrophobicContact CG2-CD2 4.31Å; I516-L643 HydrophobicContact CD1-CD1 4.22Å; I516-L643 HydrophobicContact CD1-CG 4.44Å; L582-L643 HydrophobicContact CD1-CD2 4.25Å; I604-L643 HydrophobicContact CD1-CD1 4.03Å; I604-L643 HydrophobicContact CD1-CD2 4.25Å; I604-L643 HydrophobicContact CG1-CD1 4.49Å; L637-L643 HydrophobicContact CD2-CB 4.19Å; L637-L643 HydrophobicContact CD2-CD1 4.29Å; L637-L643 HydrophobicContact CD2-CG 4.22Å; T639-L643 PolarHBondContact O-N 2.81Å; T639-L643 VanDerWaalsContact O-N 3.11Å; A640-L643 PolarHBondContact O-N 2.9Å; E641-L643 VanDerWaalsContact C-N 3.28Å; E641-L643 PolarHBondContact O-N 3.41Å; L643-N645 PolarHBondContact O-N 2.77Å; L643-S646 PolarHBondContact O-N 3.23Å; L643-M647 HydrophobicContact CD2-CG 4.31Å; L643-M647 HydrophobicContact CG-CG 4.37Å; L643-M647 WeakPolarHBondContact O-CB 3.47Å; L643-M647 VanDerWaalsContact O-CG 3.24Å; L643-M647 WeakPolarHBondContact O-CG 3.4Å; L643-M647 PolarHBondContact O-N 3.38Å; L643-I719 HydrophobicContact CB-CD1 3.9Å; L643-I719 HydrophobicContact CD1-CD1 3.55Å; L643-I719 HydrophobicContact CG-CD1 4.36Å
644	V	90.9	Very high	87	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-60	-49.5	178.2	169.7	0	0	0	0	110.7	L582 A640 E641 S646 M647 F648 S653 I656 I657 I715	L582-V644 HydrophobicContact CD1-CG2 3.86Å; A640-V644 VanDerWaalsContact O-CG2 3.32Å; A640-V644 WeakPolarHBondContact O-CG2 3.48Å; A640-V644 PolarHBondContact O-N 3Å; E641-V644 PolarHBondContact O-N 3.17Å; V644-S646 PolarHBondContact O-N 2.98Å; V644-S646 VanDerWaalsContact O-N 3.14Å; V644-M647 PolarHBondContact O-N 2.71Å; V644-M647 VanDerWaalsContact O-N 3.14Å; V644-F648 HydrophobicContact CG1-CD2 4.14Å; V644-F648 WeakPolarHBondContact O-CB 3.33Å; V644-F648 WeakPolarHBondContact O-CD2 3.41Å; V644-F648 PolarHBondContact O-N 2.83Å; V644-S653 PolarHBondContact O-OG 2.83Å; V644-I656 HydrophobicContact CB-CG2 4.45Å; V644-I656 HydrophobicContact CG1-CB 4.03Å; V644-I656 HydrophobicContact CG1-CD1 4.36Å; V644-I656 HydrophobicContact CG1-CG2 3.73Å; V644-I656 HydrophobicContact CG2-CG2 3.8Å; V644-I657 HydrophobicContact CG1-CG1 4.34Å; V644-I715 HydrophobicContact CG2-CD1 4.27Å
645	N	90.2	Very high	87.3	Confident	80 Å²	80	49.3 Å²	49.3	43%	0.428	26%	0.26	S	S	.	.	H	α-helix	trans	-62.8	-22.8	179.7	-71.1	-32.1	0	0	0	113.5	E641 N642 L643 S653	E641-N645 PolarHBondContact O-N 3.37Å; E641-N645 PolarHBondContact O-ND2 2.99Å; N642-N645 PolarHBondContact O-N 2.91Å; L643-N645 PolarHBondContact O-N 2.77Å; N645-S653 WeakPolarHBondContact OD1-CB 3.42Å
646	S	87.4	Confident	87.7	Confident	55 Å²	55	45.9 Å²	45.9	39%	0.385	24%	0.236	S	C	.	.	H	α-helix	trans	-87.1	-28.7	177.8	-56.8	0	0	0	0	113.1	T636 N642 L643 V644	T636-S646 WeakPolarHBondContact CG2-OG 3.35Å; N642-S646 WeakPolarHBondContact O-CB 3.42Å; N642-S646 PolarHBondContact O-N 2.82Å; N642-S646 PolarHBondContact O-OG 2.82Å; L643-S646 PolarHBondContact O-N 3.23Å; V644-S646 PolarHBondContact O-N 2.98Å; V644-S646 VanDerWaalsContact O-N 3.14Å
647	M	86.6	Confident	88.1	Confident	21 Å²	21	44.8 Å²	44.8	10%	0.103	23%	0.228	C	C	.	.	H	α-helix	trans	-98.4	-17.5	-174.5	-63.3	-53.4	-58.2	0	0	113.5	I516 V518 L531 F632 L643 V644	I516-M647 HydrophobicContact CD1-CG 4.33Å; I516-M647 HydrophobicContact CD1-SD 3.82Å; I516-M647 HydrophobicContact CG2-CE 4.05Å; I516-M647 HydrophobicContact CG2-SD 4.37Å; V518-M647 HydrophobicContact CG1-CE 3.86Å; L531-M647 HydrophobicContact CD1-CB 4.4Å; L531-M647 HydrophobicContact CD1-CE 3.95Å; L531-M647 HydrophobicContact CD2-CE 3.32Å; L531-M647 HydrophobicContact CG-CE 4.05Å; F632-M647 HydrophobicContact CZ-SD 4.2Å; L643-M647 HydrophobicContact CD2-CG 4.31Å; L643-M647 HydrophobicContact CG-CG 4.37Å; L643-M647 WeakPolarHBondContact O-CB 3.47Å; L643-M647 VanDerWaalsContact O-CG 3.24Å; L643-M647 WeakPolarHBondContact O-CG 3.4Å; L643-M647 PolarHBondContact O-N 3.38Å; V644-M647 PolarHBondContact O-N 2.71Å; V644-M647 VanDerWaalsContact O-N 3.14Å
648	F	86.8	Confident	88.4	Confident	12 Å²	12	47.6 Å²	47.6	5%	0.053	25%	0.251	C	S	.	.	S	Bend	trans	-126	154.3	-173	-65.5	-100.1	0	0	0	110.7	I503 I505 P530 L531 V602 V644 E652 S653 I656	I503-F648 HydrophobicContact CG2-CZ 4.34Å; I505-F648 HydrophobicContact CD1-CE2 3.96Å; I505-F648 HydrophobicContact CD1-CZ 4.37Å; P530-F648 HydrophobicContact CB-CB 4.4Å; P530-F648 HydrophobicContact CB-CD1 3.42Å; P530-F648 VanDerWaalsContact CB-CD1 3.42Å; P530-F648 HydrophobicContact CB-CE1 3.79Å; P530-F648 HydrophobicContact CB-CG 4.03Å; P530-F648 HydrophobicContact CG-CD1 3.15Å; P530-F648 HydrophobicContact CG-CE1 3.19Å; P530-F648 HydrophobicContact CG-CG 4.21Å; P530-F648 HydrophobicContact CG-CZ 4.3Å; L531-F648 HydrophobicContact CD1-CE2 4.43Å; L531-F648 HydrophobicContact CD1-CZ 4.3Å; V602-F648 HydrophobicContact CG1-CE2 4.32Å; V602-F648 HydrophobicContact CG1-CZ 3.81Å; V602-F648 HydrophobicContact CG2-CE1 4.38Å; V602-F648 HydrophobicContact CG2-CZ 4.16Å; V644-F648 HydrophobicContact CG1-CD2 4.14Å; V644-F648 WeakPolarHBondContact O-CB 3.33Å; V644-F648 WeakPolarHBondContact O-CD2 3.41Å; V644-F648 PolarHBondContact O-N 2.83Å; F648-E652 HydrophobicContact CB-CB 4.06Å; F648-E652 HydrophobicContact CD1-CB 4.12Å; F648-S653 WeakPolarHBondContact CB-OG 3.44Å; F648-S653 PolarHBondContact O-OG 3.32Å; F648-I656 HydrophobicContact CD1-CD1 3.31Å; F648-I656 HydrophobicContact CD2-CD1 4.08Å; F648-I656 HydrophobicContact CE1-CD1 3.37Å; F648-I656 HydrophobicContact CE2-CD1 4.12Å; F648-I656 HydrophobicContact CG-CD1 3.73Å; F648-I656 HydrophobicContact CZ-CD1 3.81Å
649	N	83.2	Confident	88.5	Confident	81 Å²	81	44.3 Å²	44.3	43%	0.433	24%	0.241	S	C	.	.			trans	-68.8	169.1	172.8	70.3	46.6	0	0	0	111	V651 E652 S653	N649-V651 VanDerWaalsContact C-N 3.26Å; N649-V651 PolarHBondContact O-N 3.31Å; N649-V651 PolarHBondContact OD1-N 2.75Å; N649-E652 VanDerWaalsContact CG-CD 3.44Å; N649-E652 PolarHBondContact N-OE2 3.49Å; N649-E652 PolarHBondContact ND2-OE1 3.27Å; N649-E652 PolarHBondContact ND2-OE2 2.94Å; N649-E652 VanDerWaalsContact ND2-OE2 3.16Å; N649-E652 PolarHBondContact O-N 3.14Å; N649-E652 WeakPolarHBondContact OD1-CG 3.41Å; N649-E652 PolarHBondContact OD1-N 3.04Å; N649-S653 VanDerWaalsContact O-CB 3.28Å; N649-S653 WeakPolarHBondContact O-CB 3.34Å; N649-S653 PolarHBondContact O-N 3.25Å; N649-S653 PolarHBondContact O-OG 2.67Å
650	K	80.8	Confident	88.6	Confident	164 Å²	164	43.4 Å²	43.4	71%	0.713	24%	0.236	S	C	*	.	H	α-helix	trans	-59.4	-34.3	-175.3	-171.3	175.9	-176	176.7	0	113.5	K654	K650-K654 VanDerWaalsContact O-CG 3.32Å; K650-K654 WeakPolarHBondContact O-CG 3.33Å; K650-K654 PolarHBondContact O-N 3.25Å
651	V	81.3	Confident	88.6	Confident	70 Å²	70	49.3 Å²	49.3	42%	0.424	26%	0.258	S	S	.	.	H	α-helix	trans	-73.4	-50.6	-178.3	177.4	0	0	0	0	109.8	N649 S653 K654 T655	N649-V651 VanDerWaalsContact C-N 3.26Å; N649-V651 PolarHBondContact O-N 3.31Å; N649-V651 PolarHBondContact OD1-N 2.75Å; V651-S653 PolarHBondContact O-N 3.09Å; V651-K654 PolarHBondContact O-N 3.47Å; V651-T655 PolarHBondContact O-N 3.49Å; V651-T655 PolarHBondContact O-OG1 3.37Å
652	E	85.2	Confident	88.5	Confident	34 Å²	34	51.8 Å²	51.8	16%	0.159	27%	0.272	C	S	.	.	H	α-helix	trans	-63	-42.3	178.4	-70.2	158.7	-175.7	0	0	112	P530 L587 F648 N649 K654 T655 I656	P530-E652 VanDerWaalsContact CB-OE2 3.28Å; P530-E652 WeakPolarHBondContact CB-OE2 3.45Å; P530-E652 WeakPolarHBondContact CG-OE2 3.44Å; L587-E652 HydrophobicContact CD1-CB 4.47Å; L587-E652 HydrophobicContact CD1-CG 4.38Å; F648-E652 HydrophobicContact CB-CB 4.06Å; F648-E652 HydrophobicContact CD1-CB 4.12Å; N649-E652 VanDerWaalsContact CG-CD 3.44Å; N649-E652 PolarHBondContact N-OE2 3.49Å; N649-E652 PolarHBondContact ND2-OE1 3.27Å; N649-E652 PolarHBondContact ND2-OE2 2.94Å; N649-E652 VanDerWaalsContact ND2-OE2 3.16Å; N649-E652 PolarHBondContact O-N 3.14Å; N649-E652 WeakPolarHBondContact OD1-CG 3.41Å; N649-E652 PolarHBondContact OD1-N 3.04Å; E652-K654 VanDerWaalsContact C-N 3.33Å; E652-K654 PolarHBondContact O-N 3.4Å; E652-T655 WeakPolarHBondContact O-CB 3.17Å; E652-T655 PolarHBondContact O-N 2.85Å; E652-T655 VanDerWaalsContact O-N 3.16Å; E652-I656 WeakPolarHBondContact O-CB 3.28Å; E652-I656 WeakPolarHBondContact O-CG1 3.21Å; E652-I656 PolarHBondContact O-N 2.79Å
653	S	89	Confident	88.3	Confident	2 Å²	2	49.7 Å²	49.7	1%	0.014	26%	0.262	C	S	.	.	H	α-helix	trans	-57.5	-47	177.8	-63.3	0	0	0	0	111.3	V644 N645 F648 N649 V651 T655 I656 I657	V644-S653 PolarHBondContact O-OG 2.83Å; N645-S653 WeakPolarHBondContact OD1-CB 3.42Å; F648-S653 WeakPolarHBondContact CB-OG 3.44Å; F648-S653 PolarHBondContact O-OG 3.32Å; N649-S653 VanDerWaalsContact O-CB 3.28Å; N649-S653 WeakPolarHBondContact O-CB 3.34Å; N649-S653 PolarHBondContact O-N 3.25Å; N649-S653 PolarHBondContact O-OG 2.67Å; V651-S653 PolarHBondContact O-N 3.09Å; S653-T655 VanDerWaalsContact C-N 3.34Å; S653-T655 PolarHBondContact O-N 3.48Å; S653-I656 PolarHBondContact O-N 2.91Å; S653-I657 WeakPolarHBondContact O-CB 3.26Å; S653-I657 WeakPolarHBondContact O-CD1 3.46Å; S653-I657 WeakPolarHBondContact O-CG1 3.41Å; S653-I657 PolarHBondContact O-N 2.76Å
654	K	89.4	Confident	88.2	Confident	137 Å²	137	51 Å²	51	60%	0.596	27%	0.272	S	S	*	.	H	α-helix	trans	-58.6	-45.4	176	-77.7	179.2	176.3	-169.8	0	111.9	K650 V651 E652 A658	K650-K654 VanDerWaalsContact O-CG 3.32Å; K650-K654 WeakPolarHBondContact O-CG 3.33Å; K650-K654 PolarHBondContact O-N 3.25Å; V651-K654 PolarHBondContact O-N 3.47Å; E652-K654 VanDerWaalsContact C-N 3.33Å; E652-K654 PolarHBondContact O-N 3.4Å; K654-A658 VanDerWaalsContact O-CB 3.26Å; K654-A658 WeakPolarHBondContact O-CB 3.44Å; K654-A658 PolarHBondContact O-N 3.45Å
655	T	89.1	Confident	88.1	Confident	57 Å²	57	53.4 Å²	53.4	35%	0.35	29%	0.292	S	S	.	.	H	α-helix	trans	-61.5	-44.7	177.8	-59.2	0	0	0	0	111.6	F583 L587 V651 E652 S653 G659	F583-T655 HydrophobicContact CE2-CG2 4.32Å; F583-T655 WeakPolarHBondContact CE2-O 3.38Å; F583-T655 HydrophobicContact CZ-CG2 4.02Å; L587-T655 HydrophobicContact CD1-CG2 4.36Å; V651-T655 PolarHBondContact O-N 3.49Å; V651-T655 PolarHBondContact O-OG1 3.37Å; E652-T655 WeakPolarHBondContact O-CB 3.17Å; E652-T655 PolarHBondContact O-N 2.85Å; E652-T655 VanDerWaalsContact O-N 3.16Å; S653-T655 VanDerWaalsContact C-N 3.34Å; S653-T655 PolarHBondContact O-N 3.48Å; T655-G659 PolarHBondContact O-N 2.84Å
656	I	90.7	Very high	88.1	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-64.2	-48.3	179.6	-73.1	166.5	0	0	0	111.1	F583 L587 V602 V644 F648 E652 S653 G659 N660	F583-I656 HydrophobicContact CB-CG1 4.31Å; F583-I656 HydrophobicContact CB-CG2 4.13Å; F583-I656 HydrophobicContact CD1-CG1 4.38Å; F583-I656 HydrophobicContact CD2-CB 4.36Å; F583-I656 HydrophobicContact CD2-CG1 4.28Å; F583-I656 HydrophobicContact CG-CG1 4.09Å; L587-I656 HydrophobicContact CD1-CG1 4.32Å; V602-I656 HydrophobicContact CG2-CD1 4.18Å; V644-I656 HydrophobicContact CB-CG2 4.45Å; V644-I656 HydrophobicContact CG1-CB 4.03Å; V644-I656 HydrophobicContact CG1-CD1 4.36Å; V644-I656 HydrophobicContact CG1-CG2 3.73Å; V644-I656 HydrophobicContact CG2-CG2 3.8Å; F648-I656 HydrophobicContact CD1-CD1 3.31Å; F648-I656 HydrophobicContact CD2-CD1 4.08Å; F648-I656 HydrophobicContact CE1-CD1 3.37Å; F648-I656 HydrophobicContact CE2-CD1 4.12Å; F648-I656 HydrophobicContact CG-CD1 3.73Å; F648-I656 HydrophobicContact CZ-CD1 3.81Å; E652-I656 WeakPolarHBondContact O-CB 3.28Å; E652-I656 WeakPolarHBondContact O-CG1 3.21Å; E652-I656 PolarHBondContact O-N 2.79Å; S653-I656 PolarHBondContact O-N 2.91Å; I656-G659 PolarHBondContact O-N 2.81Å; I656-N660 WeakPolarHBondContact O-CB 3.03Å; I656-N660 PolarHBondContact O-N 2.81Å
657	I	92.6	Very high	88.2	Confident	17 Å²	17	55.4 Å²	55.4	9%	0.087	29%	0.289	C	S	.	.	H	α-helix	trans	-61.8	-46.7	179.2	-68.5	165.1	0	0	0	110.5	E641 V644 S653 G659 N660 R661 I715	E641-I657 HydrophobicContact CG-CD1 3.96Å; V644-I657 HydrophobicContact CG1-CG1 4.34Å; S653-I657 WeakPolarHBondContact O-CB 3.26Å; S653-I657 WeakPolarHBondContact O-CD1 3.46Å; S653-I657 WeakPolarHBondContact O-CG1 3.41Å; S653-I657 PolarHBondContact O-N 2.76Å; I657-G659 PolarHBondContact O-N 3.23Å; I657-N660 WeakPolarHBondContact O-CB 3.06Å; I657-N660 PolarHBondContact O-N 2.98Å; I657-R661 PolarHBondContact O-N 2.85Å; I657-I715 HydrophobicContact CB-CG1 4.38Å; I657-I715 HydrophobicContact CG1-CD1 3.85Å; I657-I715 HydrophobicContact CG1-CG1 3.9Å; I657-I715 HydrophobicContact CG2-CG1 4.15Å
658	A	89.9	Confident	88.3	Confident	59 Å²	59	59.3 Å²	59.3	49%	0.488	31%	0.31	S	S	.	.	H	α-helix	trans	-62.3	-44.3	177.8	0	0	0	0	0	111.7	K654 N660 R661 L662	K654-A658 VanDerWaalsContact O-CB 3.26Å; K654-A658 WeakPolarHBondContact O-CB 3.44Å; K654-A658 PolarHBondContact O-N 3.45Å; A658-N660 VanDerWaalsContact C-N 3.33Å; A658-N660 PolarHBondContact O-N 3Å; A658-R661 PolarHBondContact O-N 3.02Å; A658-L662 WeakPolarHBondContact O-CB 3.45Å; A658-L662 PolarHBondContact O-N 2.81Å
659	G	89.2	Confident	88.5	Confident	19 Å²	19	61.2 Å²	61.2	20%	0.196	33%	0.328	C	S	.	.	H	α-helix	trans	-65.1	-34.5	176.7	0	0	0	0	0	113.5	T655 I656 I657 L662 S663	T655-G659 PolarHBondContact O-N 2.84Å; I656-G659 PolarHBondContact O-N 2.81Å; I657-G659 PolarHBondContact O-N 3.23Å; G659-L662 PolarHBondContact O-N 2.83Å; G659-S663 PolarHBondContact O-N 2.89Å
660	N	93.3	Very high	88.8	Confident	0 Å²	0	62 Å²	62	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-62.5	-50.2	173.1	-172.7	-87	0	0	0	111	L582 I656 I657 A658 L662 S663 A664 I713 I715	L582-N660 WeakPolarHBondContact O-CB 3.48Å; L582-N660 PolarHBondContact O-ND2 3.16Å; I656-N660 WeakPolarHBondContact O-CB 3.03Å; I656-N660 PolarHBondContact O-N 2.81Å; I657-N660 WeakPolarHBondContact O-CB 3.06Å; I657-N660 PolarHBondContact O-N 2.98Å; A658-N660 VanDerWaalsContact C-N 3.33Å; A658-N660 PolarHBondContact O-N 3Å; N660-L662 VanDerWaalsContact C-N 3.32Å; N660-L662 PolarHBondContact O-N 3.38Å; N660-S663 WeakPolarHBondContact O-CA 3.48Å; N660-S663 WeakPolarHBondContact O-CB 3.39Å; N660-S663 PolarHBondContact O-N 2.86Å; N660-S663 PolarHBondContact O-OG 2.04Å; N660-A664 PolarHBondContact O-N 2.89Å; N660-A664 VanDerWaalsContact O-N 3.11Å; N660-I713 PolarHBondContact ND2-O 2.62Å; N660-I715 HydrophobicContact CB-CB 4.5Å; N660-I715 PolarHBondContact OD1-N 2.77Å
661	R	91	Very high	89.2	Confident	124 Å²	124	56.5 Å²	56.5	47%	0.468	31%	0.307	S	S	.	.	H	α-helix	trans	-58.9	-42.2	176.8	-70.8	179.4	177.7	167	1.9	112.1	I657 A658 S663 A664 A665 I715 H716	I657-R661 PolarHBondContact O-N 2.85Å; A658-R661 PolarHBondContact O-N 3.02Å; R661-S663 VanDerWaalsContact C-N 3.28Å; R661-S663 PolarHBondContact O-N 3.27Å; R661-A664 PolarHBondContact O-N 3.25Å; R661-A665 PolarHBondContact O-N 3.23Å; R661-I715 HydrophobicContact CG-CG2 4.49Å; R661-H716 PolarHBondContact NH2-NE2 3.04Å
662	L	89.2	Confident	89.6	Confident	101 Å²	101	57.1 Å²	57.1	53%	0.529	31%	0.307	S	S	.	.	H	α-helix	trans	-62.8	-36.3	175.6	-173.4	66.2	0	0	0	112	A658 G659 N660 A665 K666	A658-L662 WeakPolarHBondContact O-CB 3.45Å; A658-L662 PolarHBondContact O-N 2.81Å; G659-L662 PolarHBondContact O-N 2.83Å; N660-L662 VanDerWaalsContact C-N 3.32Å; N660-L662 PolarHBondContact O-N 3.38Å; L662-A665 PolarHBondContact O-N 2.92Å; L662-K666 WeakPolarHBondContact O-CG 3.29Å; L662-K666 PolarHBondContact O-N 2.85Å
663	S	88.5	Confident	89.9	Confident	11 Å²	11	59.5 Å²	59.5	8%	0.077	32%	0.324	C	S	.	.	H	α-helix	trans	-64.9	-40.7	176.1	82.2	0	0	0	0	111.9	G659 N660 R661 K666 Y667	G659-S663 PolarHBondContact O-N 2.89Å; N660-S663 WeakPolarHBondContact O-CA 3.48Å; N660-S663 WeakPolarHBondContact O-CB 3.39Å; N660-S663 PolarHBondContact O-N 2.86Å; N660-S663 PolarHBondContact O-OG 2.04Å; R661-S663 VanDerWaalsContact C-N 3.28Å; R661-S663 PolarHBondContact O-N 3.27Å; S663-K666 PolarHBondContact O-N 2.05Å; S663-Y667 WeakPolarHBondContact O-CD2 3.18Å; S663-Y667 PolarHBondContact O-N 2.81Å
664	A	88.1	Confident	89.9	Confident	26 Å²	26	60.7 Å²	60.7	22%	0.215	33%	0.334	C	S	.	.	H	α-helix	trans	-64.8	-44.2	174.4	0	0	0	0	0	111.4	N660 R661 K666 Y667 L668 Y708	N660-A664 PolarHBondContact O-N 2.89Å; N660-A664 VanDerWaalsContact O-N 3.11Å; R661-A664 PolarHBondContact O-N 3.25Å; A664-K666 VanDerWaalsContact C-N 3.28Å; A664-K666 PolarHBondContact O-N 2.78Å; A664-Y667 PolarHBondContact O-N 2.84Å; A664-Y667 VanDerWaalsContact O-N 3.08Å; A664-L668 PolarHBondContact O-N 3.31Å; A664-Y708 HydrophobicContact CB-CE2 4.2Å
665	A	89.5	Confident	89.9	Confident	51 Å²	51	54.8 Å²	54.8	42%	0.421	31%	0.311	S	S	.	.	H	α-helix	trans	-59.5	-36.3	176.5	0	0	0	0	0	112.8	R661 L662 Y667 L668 A669	R661-A665 PolarHBondContact O-N 3.23Å; L662-A665 PolarHBondContact O-N 2.92Å; A665-Y667 PolarHBondContact O-N 3.31Å; A665-L668 WeakPolarHBondContact O-CB 3.06Å; A665-L668 PolarHBondContact O-N 2.99Å; A665-A669 PolarHBondContact O-N 3.4Å
666	K	89.8	Confident	89.8	Confident	130 Å²	130	56.5 Å²	56.5	57%	0.565	32%	0.317	S	S	*	.	H	α-helix	trans	-62.9	-40	174.2	-74.9	177	-178.7	-177.2	0	112.6	L662 S663 A664 A669 I670	L662-K666 WeakPolarHBondContact O-CG 3.29Å; L662-K666 PolarHBondContact O-N 2.85Å; S663-K666 PolarHBondContact O-N 2.05Å; A664-K666 VanDerWaalsContact C-N 3.28Å; A664-K666 PolarHBondContact O-N 2.78Å; K666-A669 PolarHBondContact O-N 3.01Å; K666-I670 VanDerWaalsContact O-CG1 3.32Å; K666-I670 WeakPolarHBondContact O-CG1 3.48Å; K666-I670 PolarHBondContact O-N 3.15Å
667	Y	88.7	Confident	89.7	Confident	48 Å²	48	61.6 Å²	61.6	19%	0.188	34%	0.343	C	S	.	.	H	α-helix	trans	-69.9	-35.5	175.9	-83.9	-107.3	0	0	0	111.7	S663 A664 A665 I670 F671 I704 Y708 W712	S663-Y667 WeakPolarHBondContact O-CD2 3.18Å; S663-Y667 PolarHBondContact O-N 2.81Å; A664-Y667 PolarHBondContact O-N 2.84Å; A664-Y667 VanDerWaalsContact O-N 3.08Å; A665-Y667 PolarHBondContact O-N 3.31Å; Y667-I670 PolarHBondContact O-N 3.01Å; Y667-F671 PolarHBondContact O-N 3.4Å; Y667-I704 HydrophobicContact CD1-CG2 3.9Å; Y667-Y708 HydrophobicContact CD1-CD2 4.2Å; Y667-Y708 HydrophobicContact CD1-CG 4.47Å; Y667-Y708 AromaticContact CD2-CD2 3.76Å; Y667-Y708 HydrophobicContact CD2-CD2 3.76Å; Y667-Y708 HydrophobicContact CD2-CE2 4.47Å; Y667-Y708 HydrophobicContact CE1-CD2 4.46Å; Y667-Y708 HydrophobicContact CE2-CD2 4.04Å; Y667-Y708 AromaticContact CG-CD2 3.83Å; Y667-Y708 HydrophobicContact CG-CD2 3.83Å; Y667-Y708 HydrophobicContact CG-CG 4.46Å; Y667-W712 AromaticContact CE2-NE1 3.88Å
668	L	89.2	Confident	89.4	Confident	103 Å²	103	62.6 Å²	62.6	54%	0.539	35%	0.348	S	S	.	.	H	α-helix	trans	-63.3	-42	171.6	-177.4	64	0	0	0	111.7	A664 A665 I670 F671 I672	A664-L668 PolarHBondContact O-N 3.31Å; A665-L668 WeakPolarHBondContact O-CB 3.06Å; A665-L668 PolarHBondContact O-N 2.99Å; L668-I670 PolarHBondContact O-N 3.42Å; L668-F671 HydrophobicContact CD1-CD1 4.36Å; L668-F671 WeakPolarHBondContact O-CB 3.41Å; L668-F671 PolarHBondContact O-N 2.94Å; L668-I672 HydrophobicContact CG-CD1 4.1Å; L668-I672 WeakPolarHBondContact O-CG1 3.37Å; L668-I672 PolarHBondContact O-N 3.23Å
669	A	89.9	Confident	89.1	Confident	51 Å²	51	61.7 Å²	61.7	42%	0.421	34%	0.339	S	S	.	.	H	α-helix	trans	-62.1	-43.3	175.5	0	0	0	0	0	111.9	A665 K666 F671 I672 T673	A665-A669 PolarHBondContact O-N 3.4Å; K666-A669 PolarHBondContact O-N 3.01Å; A669-F671 VanDerWaalsContact C-N 3.28Å; A669-F671 PolarHBondContact O-N 3.38Å; A669-I672 PolarHBondContact O-N 3.31Å; A669-T673 PolarHBondContact O-N 3.28Å; A669-T673 PolarHBondContact O-OG1 3.31Å; A669-T673 VanDerWaalsContact O-OG1 3.09Å
670	I	89.4	Confident	88.9	Confident	97 Å²	97	66.3 Å²	66.3	50%	0.497	36%	0.358	S	S	.	.	H	α-helix	trans	-58.1	-42.9	173.4	-67	165.1	0	0	0	110.6	K666 Y667 L668 A674 I704	K666-I670 VanDerWaalsContact O-CG1 3.32Å; K666-I670 WeakPolarHBondContact O-CG1 3.48Å; K666-I670 PolarHBondContact O-N 3.15Å; Y667-I670 PolarHBondContact O-N 3.01Å; L668-I670 PolarHBondContact O-N 3.42Å; I670-A674 WeakPolarHBondContact O-CB 3.48Å; I670-A674 PolarHBondContact O-N 2.68Å; I670-I704 HydrophobicContact CG2-CD1 4.17Å
671	F	90.5	Very high	88.2	Confident	49 Å²	49	69 Å²	69	22%	0.215	38%	0.38	C	S	.	.	H	α-helix	trans	-61.3	-48.1	175.5	172.1	-98.9	0	0	0	111.9	Y667 L668 A669 T673 A674 A675 L700 A701 I704	Y667-F671 PolarHBondContact O-N 3.4Å; L668-F671 HydrophobicContact CD1-CD1 4.36Å; L668-F671 WeakPolarHBondContact O-CB 3.41Å; L668-F671 PolarHBondContact O-N 2.94Å; A669-F671 VanDerWaalsContact C-N 3.28Å; A669-F671 PolarHBondContact O-N 3.38Å; F671-T673 PolarHBondContact O-N 3.28Å; F671-A674 PolarHBondContact O-N 2.99Å; F671-A675 VanDerWaalsContact O-CB 3.22Å; F671-A675 WeakPolarHBondContact O-CB 3.49Å; F671-A675 PolarHBondContact O-N 3.45Å; F671-L700 HydrophobicContact CD2-CD2 3.87Å; F671-L700 HydrophobicContact CD2-CG 3.92Å; F671-L700 HydrophobicContact CE2-CB 4.3Å; F671-L700 HydrophobicContact CE2-CD2 3.97Å; F671-L700 HydrophobicContact CE2-CG 4.1Å; F671-A701 HydrophobicContact CD2-CB 4.17Å; F671-A701 HydrophobicContact CE2-CB 3.57Å; F671-A701 HydrophobicContact CZ-CB 4.09Å; F671-I704 HydrophobicContact CB-CD1 3.78Å; F671-I704 HydrophobicContact CD2-CD1 4.13Å; F671-I704 HydrophobicContact CG-CD1 4.48Å
672	I	90.1	Very high	87.6	Confident	84 Å²	84	65.3 Å²	65.3	43%	0.431	37%	0.367	S	S	.	.	H	α-helix	trans	-60.5	-46.4	179.4	-67.3	166	0	0	0	110.8	L668 A669 A674 A675 I676	L668-I672 HydrophobicContact CG-CD1 4.1Å; L668-I672 WeakPolarHBondContact O-CG1 3.37Å; L668-I672 PolarHBondContact O-N 3.23Å; A669-I672 PolarHBondContact O-N 3.31Å; I672-A674 PolarHBondContact O-N 2.91Å; I672-A675 PolarHBondContact O-N 3.24Å; I672-I676 HydrophobicContact CG2-CD1 3.91Å; I672-I676 VanDerWaalsContact O-CG1 3.3Å; I672-I676 WeakPolarHBondContact O-CG1 3.45Å; I672-I676 PolarHBondContact O-N 2.99Å
673	T	90.1	Very high	86.7	Confident	84 Å²	84	68.3 Å²	68.3	52%	0.515	38%	0.376	S	S	.	.	H	α-helix	trans	-61	-46.2	178.1	-55.6	0	0	0	0	111.6	A669 F671 I676 I677	A669-T673 PolarHBondContact O-N 3.28Å; A669-T673 PolarHBondContact O-OG1 3.31Å; A669-T673 VanDerWaalsContact O-OG1 3.09Å; F671-T673 PolarHBondContact O-N 3.28Å; T673-I676 PolarHBondContact O-N 3.15Å; T673-I677 HydrophobicContact CG2-CD1 4.29Å; T673-I677 WeakPolarHBondContact O-CG1 3.31Å; T673-I677 PolarHBondContact O-N 3.25Å; T673-I677 VanDerWaalsContact O-N 3.16Å
674	A	89.5	Confident	85.7	Confident	26 Å²	26	72.4 Å²	72.4	22%	0.215	41%	0.405	C	S	.	.	H	α-helix	trans	-66.3	-37.9	177.6	0	0	0	0	0	112.2	I670 F671 I672 I677 I678 L700	I670-A674 WeakPolarHBondContact O-CB 3.48Å; I670-A674 PolarHBondContact O-N 2.68Å; F671-A674 PolarHBondContact O-N 2.99Å; I672-A674 PolarHBondContact O-N 2.91Å; A674-I677 PolarHBondContact O-N 3.21Å; A674-I678 WeakPolarHBondContact O-CG1 3.44Å; A674-I678 PolarHBondContact O-N 2.91Å; A674-L700 HydrophobicContact CB-CD1 4.21Å; A674-L700 HydrophobicContact CB-CD2 3.6Å; A674-L700 HydrophobicContact CB-CG 4.49Å
675	A	88.8	Confident	84.8	Confident	14 Å²	14	75.1 Å²	75.1	12%	0.116	42%	0.415	C	S	.	.	H	α-helix	trans	-62.3	-42	175.3	0	0	0	0	0	112	F671 I672 I678 S679 L697	F671-A675 VanDerWaalsContact O-CB 3.22Å; F671-A675 WeakPolarHBondContact O-CB 3.49Å; F671-A675 PolarHBondContact O-N 3.45Å; I672-A675 PolarHBondContact O-N 3.24Å; A675-I678 PolarHBondContact O-N 2.98Å; A675-S679 WeakPolarHBondContact O-CB 3.32Å; A675-S679 PolarHBondContact O-N 2.94Å; A675-S679 PolarHBondContact O-OG 3.49Å; A675-L697 HydrophobicContact CB-CD2 3.5Å
676	I	88.1	Confident	83.6	Confident	93 Å²	93	79.5 Å²	79.5	48%	0.477	44%	0.437	S	S	.	.	H	α-helix	trans	-61.1	-45.7	175	-69	164.8	0	0	0	110.6	I672 T673 I678 S679 I680	I672-I676 HydrophobicContact CG2-CD1 3.91Å; I672-I676 VanDerWaalsContact O-CG1 3.3Å; I672-I676 WeakPolarHBondContact O-CG1 3.45Å; I672-I676 PolarHBondContact O-N 2.99Å; T673-I676 PolarHBondContact O-N 3.15Å; I676-I678 VanDerWaalsContact C-N 3.34Å; I676-I678 PolarHBondContact O-N 2.92Å; I676-S679 PolarHBondContact O-N 3.03Å; I676-I680 HydrophobicContact CG2-CD1 3.83Å; I676-I680 HydrophobicContact CG2-CG1 4.49Å; I676-I680 VanDerWaalsContact O-CG1 3.31Å; I676-I680 WeakPolarHBondContact O-CG1 3.29Å; I676-I680 PolarHBondContact O-N 3.48Å
677	I	88.5	Confident	82.3	Confident	106 Å²	106	78.5 Å²	78.5	54%	0.544	45%	0.446	S	S	.	.	H	α-helix	trans	-60.8	-44.3	178.5	-66	166.2	0	0	0	110.9	T673 A674 I680 A681	T673-I677 HydrophobicContact CG2-CD1 4.29Å; T673-I677 WeakPolarHBondContact O-CG1 3.31Å; T673-I677 PolarHBondContact O-N 3.25Å; T673-I677 VanDerWaalsContact O-N 3.16Å; A674-I677 PolarHBondContact O-N 3.21Å; I677-I680 PolarHBondContact O-N 3.49Å; I677-A681 WeakPolarHBondContact O-CB 3.49Å; I677-A681 PolarHBondContact O-N 2.92Å
678	I	86.5	Confident	80.9	Confident	39 Å²	39	78 Å²	78	20%	0.2	45%	0.451	C	S	.	.	H	α-helix	trans	-62.7	-47	176.7	-67.7	173.2	0	0	0	110.2	A674 A675 I676 I680 A681 F682 L693 A696 L700	A674-I678 WeakPolarHBondContact O-CG1 3.44Å; A674-I678 PolarHBondContact O-N 2.91Å; A675-I678 PolarHBondContact O-N 2.98Å; I676-I678 VanDerWaalsContact C-N 3.34Å; I676-I678 PolarHBondContact O-N 2.92Å; I678-I680 VanDerWaalsContact C-N 3.31Å; I678-I680 PolarHBondContact O-N 3.45Å; I678-A681 PolarHBondContact O-N 3.12Å; I678-A681 VanDerWaalsContact O-N 3.11Å; I678-F682 HydrophobicContact CG2-CD2 3.63Å; I678-F682 HydrophobicContact CG2-CE2 3.73Å; I678-F682 WeakPolarHBondContact O-CD2 3.32Å; I678-F682 PolarHBondContact O-N 3.14Å; I678-L693 HydrophobicContact CG2-CD1 3.71Å; I678-A696 HydrophobicContact CG2-CB 4.13Å; I678-L700 HydrophobicContact CD1-CB 4.48Å; I678-L700 HydrophobicContact CD1-CD2 3.81Å
679	S	83.6	Confident	79.6	Confident	40 Å²	40	76.1 Å²	76.1	28%	0.28	44%	0.439	S	S	.	.	H	α-helix	trans	-59.2	-40.2	178.8	-64.3	0	0	0	0	112.6	A675 I676 F682 F683	A675-S679 WeakPolarHBondContact O-CB 3.32Å; A675-S679 PolarHBondContact O-N 2.94Å; A675-S679 PolarHBondContact O-OG 3.49Å; I676-S679 PolarHBondContact O-N 3.03Å; S679-F682 PolarHBondContact O-N 2.94Å; S679-F683 PolarHBondContact O-N 2.88Å
680	I	83.9	Confident	78.5	Confident	116 Å²	116	80.7 Å²	80.7	60%	0.595	46%	0.455	S	S	*	.	H	α-helix	trans	-64.6	-43.4	174.9	-66.6	165.8	0	0	0	110.7	I676 I677 I678 F682 F683	I676-I680 HydrophobicContact CG2-CD1 3.83Å; I676-I680 HydrophobicContact CG2-CG1 4.49Å; I676-I680 VanDerWaalsContact O-CG1 3.31Å; I676-I680 WeakPolarHBondContact O-CG1 3.29Å; I676-I680 PolarHBondContact O-N 3.48Å; I677-I680 PolarHBondContact O-N 3.49Å; I678-I680 VanDerWaalsContact C-N 3.31Å; I678-I680 PolarHBondContact O-N 3.45Å; I680-F682 VanDerWaalsContact C-N 3.3Å; I680-F682 PolarHBondContact O-N 2.92Å; I680-F683 PolarHBondContact O-N 3.22Å
681	A	80.2	Confident	77.6	Confident	56 Å²	56	82.4 Å²	82.4	46%	0.463	46%	0.463	S	S	.	.	H	α-helix	trans	-67.1	-28.8	179.2	0	0	0	0	0	113.3	I677 I678 S684	I677-A681 WeakPolarHBondContact O-CB 3.49Å; I677-A681 PolarHBondContact O-N 2.92Å; I678-A681 PolarHBondContact O-N 3.12Å; I678-A681 VanDerWaalsContact O-N 3.11Å; A681-S684 PolarHBondContact O-OG 3.36Å
682	F	77.4	Confident	77.1	Confident	46 Å²	46	81.3 Å²	81.3	20%	0.202	47%	0.466	C	S	.	.	H	α-helix	trans	-79.4	-27.4	172.9	-88.7	-90.9	0	0	0	112.2	I678 S679 I680 S684 I685 A688 F689 L693 A696	I678-F682 HydrophobicContact CG2-CD2 3.63Å; I678-F682 HydrophobicContact CG2-CE2 3.73Å; I678-F682 WeakPolarHBondContact O-CD2 3.32Å; I678-F682 PolarHBondContact O-N 3.14Å; S679-F682 PolarHBondContact O-N 2.94Å; I680-F682 VanDerWaalsContact C-N 3.3Å; I680-F682 PolarHBondContact O-N 2.92Å; F682-S684 PolarHBondContact O-N 3.26Å; F682-S684 VanDerWaalsContact O-N 3.15Å; F682-I685 PolarHBondContact O-N 3.4Å; F682-A688 HydrophobicContact CD1-CB 4.32Å; F682-A688 HydrophobicContact CE1-CB 4.25Å; F682-F689 VanDerWaalsContact C-CD2 3.49Å; F682-F689 VanDerWaalsContact C-CE2 3.5Å; F682-F689 HydrophobicContact CB-CD2 3.66Å; F682-F689 HydrophobicContact CB-CE2 3.62Å; F682-F689 VanDerWaalsContact O-CD2 3.3Å; F682-F689 WeakPolarHBondContact O-CD2 3.4Å; F682-L693 HydrophobicContact CD1-CB 4.47Å; F682-L693 HydrophobicContact CD2-CD1 4.14Å; F682-L693 HydrophobicContact CG-CB 4.35Å; F682-L693 HydrophobicContact CG-CD1 4.41Å; F682-A696 HydrophobicContact CE2-CB 4.21Å; F682-A696 HydrophobicContact CZ-CB 4.48Å
683	F	71.1	Confident	76.7	Confident	164 Å²	164	78.2 Å²	78.2	72%	0.719	45%	0.45	S	S	*	.	H	α-helix	trans	-64.5	-22.6	-176	-144	-91.5	0	0	0	112.7	S679 I680 I685 F689	S679-F683 PolarHBondContact O-N 2.88Å; I680-F683 PolarHBondContact O-N 3.22Å; F683-I685 VanDerWaalsContact C-N 3.28Å; F683-I685 PolarHBondContact O-N 2.81Å; F683-F689 HydrophobicContact CB-CE2 4.16Å; F683-F689 AromaticContact CD2-CE2 3.79Å; F683-F689 HydrophobicContact CD2-CE2 3.79Å; F683-F689 AromaticContact CD2-CZ 3.85Å; F683-F689 HydrophobicContact CD2-CZ 3.85Å; F683-F689 HydrophobicContact CE2-CZ 4.45Å; F683-F689 HydrophobicContact CG-CE2 4.35Å
684	S	66.2	Low	76.5	Confident	97 Å²	97	77.5 Å²	77.5	68%	0.678	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-4.5	172.9	48.2	0	0	0	0	114.3	A681 F682	A681-S684 PolarHBondContact O-OG 3.36Å; F682-S684 PolarHBondContact O-N 3.26Å; F682-S684 VanDerWaalsContact O-N 3.15Å
685	I	69	Low	76.4	Confident	84 Å²	84	81 Å²	81	43%	0.431	47%	0.466	S	S	.	.			trans	-124.8	91.5	-175.9	-47.9	174.9	0	0	0	109.4	F682 F683 S687 A688	F682-I685 PolarHBondContact O-N 3.4Å; F683-I685 VanDerWaalsContact C-N 3.28Å; F683-I685 PolarHBondContact O-N 2.81Å; I685-S687 VanDerWaalsContact C-N 3.28Å; I685-S687 PolarHBondContact O-N 3.2Å; I685-S687 VanDerWaalsContact O-N 3.16Å; I685-A688 HydrophobicContact CB-CB 4.26Å; I685-A688 HydrophobicContact CG2-CB 3.61Å; I685-A688 PolarHBondContact O-N 2.69Å
686	T	65.4	Low	76.2	Confident	143 Å²	143	81.9 Å²	81.9	88%	0.877	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-28.5	-170	46.5	0	0	0	0	115.1
687	S	62.6	Low	76.3	Confident	109 Å²	109	79.5 Å²	79.5	76%	0.762	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-20	-177.2	56.4	0	0	0	0	115	I685	I685-S687 VanDerWaalsContact C-N 3.28Å; I685-S687 PolarHBondContact O-N 3.2Å; I685-S687 VanDerWaalsContact O-N 3.16Å
688	A	58.8	Low	76.4	Confident	36 Å²	36	79.4 Å²	79.4	30%	0.298	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-8.2	-176	0	0	0	0	0	113.8	F682 I685 I690 G692	F682-A688 HydrophobicContact CD1-CB 4.32Å; F682-A688 HydrophobicContact CE1-CB 4.25Å; I685-A688 HydrophobicContact CB-CB 4.26Å; I685-A688 HydrophobicContact CG2-CB 3.61Å; I685-A688 PolarHBondContact O-N 2.69Å; A688-I690 PolarHBondContact O-N 3.35Å; A688-G692 PolarHBondContact O-N 3Å; A688-G692 VanDerWaalsContact O-N 3.11Å
689	F	61.3	Low	76.6	Confident	64 Å²	64	79.6 Å²	79.6	28%	0.281	48%	0.476	S	S	.	.	H	α-helix	trans	-67.5	-36.7	-167.5	-147.7	-89.8	0	0	0	113.8	F682 F683 I691 L693	F682-F689 VanDerWaalsContact C-CD2 3.49Å; F682-F689 VanDerWaalsContact C-CE2 3.5Å; F682-F689 HydrophobicContact CB-CD2 3.66Å; F682-F689 HydrophobicContact CB-CE2 3.62Å; F682-F689 VanDerWaalsContact O-CD2 3.3Å; F682-F689 WeakPolarHBondContact O-CD2 3.4Å; F683-F689 HydrophobicContact CB-CE2 4.16Å; F683-F689 AromaticContact CD2-CE2 3.79Å; F683-F689 HydrophobicContact CD2-CE2 3.79Å; F683-F689 AromaticContact CD2-CZ 3.85Å; F683-F689 HydrophobicContact CD2-CZ 3.85Å; F683-F689 HydrophobicContact CE2-CZ 4.45Å; F683-F689 HydrophobicContact CG-CE2 4.35Å; F689-I691 PolarHBondContact O-N 3.24Å; F689-L693 HydrophobicContact CD1-CD2 4.22Å; F689-L693 HydrophobicContact CE1-CD2 3.53Å; F689-L693 HydrophobicContact CE2-CD2 4.31Å; F689-L693 HydrophobicContact CZ-CD2 3.59Å
690	I	67.2	Low	76.9	Confident	148 Å²	148	79.4 Å²	79.4	76%	0.759	47%	0.472	S	S	*	.	H	α-helix	trans	-69.6	-39.7	-167.4	-59.9	178	0	0	0	112.3	A688	A688-I690 PolarHBondContact O-N 3.35Å
691	I	71.7	Confident	77.2	Confident	132 Å²	132	75.9 Å²	75.9	68%	0.677	46%	0.461	S	S	*	.	H	α-helix	trans	-110.3	-35.8	-176.1	-56.2	176.1	0	0	0	111.7	F689 L693 P694 V695	F689-I691 PolarHBondContact O-N 3.24Å; I691-L693 PolarHBondContact O-N 2.9Å; I691-P694 WeakPolarHBondContact O-CD 3.47Å; I691-V695 HydrophobicContact CG2-CG2 4.47Å; I691-V695 WeakPolarHBondContact O-CG2 3.45Å
692	G	79.4	Confident	77.7	Confident	26 Å²	26	76.2 Å²	76.2	27%	0.268	46%	0.463	S	S	.	.	H	α-helix	trans	-67.3	-39.8	-173.8	0	0	0	0	0	113.3	A688 A696	A688-G692 PolarHBondContact O-N 3Å; A688-G692 VanDerWaalsContact O-N 3.11Å; G692-A696 VanDerWaalsContact O-CB 3.29Å; G692-A696 WeakPolarHBondContact O-CB 3.16Å; G692-A696 PolarHBondContact O-N 3.34Å
693	L	82	Confident	78.4	Confident	19 Å²	19	77 Å²	77	10%	0.099	48%	0.478	C	S	.	.	H	α-helix	trans	-67.9	-50.3	-176.3	179.4	66.1	0	0	0	112.8	I678 F682 F689 I691 V695 A696 L697	I678-L693 HydrophobicContact CG2-CD1 3.71Å; F682-L693 HydrophobicContact CD1-CB 4.47Å; F682-L693 HydrophobicContact CD2-CD1 4.14Å; F682-L693 HydrophobicContact CG-CB 4.35Å; F682-L693 HydrophobicContact CG-CD1 4.41Å; F689-L693 HydrophobicContact CD1-CD2 4.22Å; F689-L693 HydrophobicContact CE1-CD2 3.53Å; F689-L693 HydrophobicContact CE2-CD2 4.31Å; F689-L693 HydrophobicContact CZ-CD2 3.59Å; I691-L693 PolarHBondContact O-N 2.9Å; L693-V695 VanDerWaalsContact C-N 3.33Å; L693-V695 PolarHBondContact O-N 2.92Å; L693-A696 PolarHBondContact O-N 3.21Å; L693-L697 HydrophobicContact CD1-CD1 4.09Å; L693-L697 HydrophobicContact CD1-CD2 4.48Å; L693-L697 HydrophobicContact CD1-CG 4.04Å; L693-L697 HydrophobicContact CG-CD1 4.05Å; L693-L697 HydrophobicContact CG-CG 4.38Å; L693-L697 WeakPolarHBondContact O-CG 3.3Å; L693-L697 PolarHBondContact O-N 3.43Å
694	P	85.2	Confident	79.2	Confident	70 Å²	70	70.4 Å²	70.4	46%	0.455	45%	0.45	S	S	.	.	H	α-helix	trans	-57.5	-43.5	176.6	-26.3	34.8	0	0	0	113.2	I691 L697 V698	I691-P694 WeakPolarHBondContact O-CD 3.47Å; P694-L697 PolarHBondContact O-N 3.02Å; P694-V698 VanDerWaalsContact O-CG2 3.31Å; P694-V698 WeakPolarHBondContact O-CG2 3.03Å; P694-V698 PolarHBondContact O-N 2.91Å
695	V	87.1	Confident	80.4	Confident	99 Å²	99	67.2 Å²	67.2	60%	0.6	43%	0.432	S	S	*	.	H	α-helix	trans	-63.5	-43.9	178.8	175.8	0	0	0	0	110.9	I691 L693 V698 G699	I691-V695 HydrophobicContact CG2-CG2 4.47Å; I691-V695 WeakPolarHBondContact O-CG2 3.45Å; L693-V695 VanDerWaalsContact C-N 3.33Å; L693-V695 PolarHBondContact O-N 2.92Å; V695-V698 PolarHBondContact O-N 3.14Å; V695-G699 PolarHBondContact O-N 3.27Å
696	A	86	Confident	81.4	Confident	32 Å²	32	65.8 Å²	65.8	26%	0.264	43%	0.433	S	S	.	.	H	α-helix	trans	-62.6	-42.4	176.8	0	0	0	0	0	112.2	I678 F682 G692 L693 G699 L700	I678-A696 HydrophobicContact CG2-CB 4.13Å; F682-A696 HydrophobicContact CE2-CB 4.21Å; F682-A696 HydrophobicContact CZ-CB 4.48Å; G692-A696 VanDerWaalsContact O-CB 3.29Å; G692-A696 WeakPolarHBondContact O-CB 3.16Å; G692-A696 PolarHBondContact O-N 3.34Å; L693-A696 PolarHBondContact O-N 3.21Å; A696-G699 PolarHBondContact O-N 2.77Å; A696-L700 WeakPolarHBondContact O-CB 3.17Å; A696-L700 PolarHBondContact O-N 3.16Å
697	L	90	Very high	82.5	Confident	44 Å²	44	61.2 Å²	61.2	23%	0.23	41%	0.41	C	S	.	.	H	α-helix	trans	-66.6	-41.6	178.2	-69.5	177.7	0	0	0	112.3	A675 L693 P694 L700 A701	A675-L697 HydrophobicContact CB-CD2 3.5Å; L693-L697 HydrophobicContact CD1-CD1 4.09Å; L693-L697 HydrophobicContact CD1-CD2 4.48Å; L693-L697 HydrophobicContact CD1-CG 4.04Å; L693-L697 HydrophobicContact CG-CD1 4.05Å; L693-L697 HydrophobicContact CG-CG 4.38Å; L693-L697 WeakPolarHBondContact O-CG 3.3Å; L693-L697 PolarHBondContact O-N 3.43Å; P694-L697 PolarHBondContact O-N 3.02Å; L697-L700 PolarHBondContact O-N 3.04Å; L697-A701 WeakPolarHBondContact O-CB 3.46Å; L697-A701 PolarHBondContact O-N 2.87Å
698	V	89.6	Confident	83.8	Confident	104 Å²	104	57 Å²	57	63%	0.63	38%	0.377	S	S	*	.	H	α-helix	trans	-63.6	-45.2	174.8	171.7	0	0	0	0	110.6	P694 V695 L700 A701 A702	P694-V698 VanDerWaalsContact O-CG2 3.31Å; P694-V698 WeakPolarHBondContact O-CG2 3.03Å; P694-V698 PolarHBondContact O-N 2.91Å; V695-V698 PolarHBondContact O-N 3.14Å; V698-L700 VanDerWaalsContact C-N 3.34Å; V698-L700 PolarHBondContact O-N 3.45Å; V698-A701 PolarHBondContact O-N 3.44Å; V698-A702 WeakPolarHBondContact O-CB 3.45Å; V698-A702 PolarHBondContact O-N 2.89Å
699	G	90.1	Very high	85.3	Confident	42 Å²	42	60.7 Å²	60.7	43%	0.433	39%	0.388	S	S	.	.	H	α-helix	trans	-59.8	-42.8	175.9	0	0	0	0	0	112.7	V695 A696 A702 A703	V695-G699 PolarHBondContact O-N 3.27Å; A696-G699 PolarHBondContact O-N 2.77Å; G699-A702 PolarHBondContact O-N 3.38Å; G699-A703 WeakPolarHBondContact O-CB 3.27Å; G699-A703 PolarHBondContact O-N 3.41Å
700	L	91.6	Very high	86.6	Confident	36 Å²	36	67.9 Å²	67.9	19%	0.188	41%	0.413	C	S	.	.	H	α-helix	trans	-64	-45.9	175.6	180	68.6	0	0	0	111.9	F671 A674 I678 A696 L697 V698 A702 A703 I704	F671-L700 HydrophobicContact CD2-CD2 3.87Å; F671-L700 HydrophobicContact CD2-CG 3.92Å; F671-L700 HydrophobicContact CE2-CB 4.3Å; F671-L700 HydrophobicContact CE2-CD2 3.97Å; F671-L700 HydrophobicContact CE2-CG 4.1Å; A674-L700 HydrophobicContact CB-CD1 4.21Å; A674-L700 HydrophobicContact CB-CD2 3.6Å; A674-L700 HydrophobicContact CB-CG 4.49Å; I678-L700 HydrophobicContact CD1-CB 4.48Å; I678-L700 HydrophobicContact CD1-CD2 3.81Å; A696-L700 WeakPolarHBondContact O-CB 3.17Å; A696-L700 PolarHBondContact O-N 3.16Å; L697-L700 PolarHBondContact O-N 3.04Å; V698-L700 VanDerWaalsContact C-N 3.34Å; V698-L700 PolarHBondContact O-N 3.45Å; L700-A702 VanDerWaalsContact C-N 3.33Å; L700-A702 PolarHBondContact O-N 3.44Å; L700-A703 PolarHBondContact O-N 3.21Å; L700-I704 HydrophobicContact CD1-CD1 3.84Å; L700-I704 HydrophobicContact CD1-CG1 4.24Å; L700-I704 HydrophobicContact CG-CD1 3.97Å; L700-I704 WeakPolarHBondContact O-CG1 3.07Å; L700-I704 PolarHBondContact O-N 3.16Å
701	A	90	Very high	87.7	Confident	43 Å²	43	68.2 Å²	68.2	36%	0.355	41%	0.405	S	S	.	.	H	α-helix	trans	-59.8	-44.8	177.7	0	0	0	0	0	111.1	F671 L697 V698 I704 G705	F671-A701 HydrophobicContact CD2-CB 4.17Å; F671-A701 HydrophobicContact CE2-CB 3.57Å; F671-A701 HydrophobicContact CZ-CB 4.09Å; L697-A701 WeakPolarHBondContact O-CB 3.46Å; L697-A701 PolarHBondContact O-N 2.87Å; V698-A701 PolarHBondContact O-N 3.44Å; A701-I704 PolarHBondContact O-N 3.13Å; A701-G705 PolarHBondContact O-N 3.15Å
702	A	90.4	Very high	88.7	Confident	63 Å²	63	62.9 Å²	62.9	52%	0.521	38%	0.377	S	S	.	.	H	α-helix	trans	-62.3	-44.1	176.6	0	0	0	0	0	111.9	V698 G699 L700 G705 A706	V698-A702 WeakPolarHBondContact O-CB 3.45Å; V698-A702 PolarHBondContact O-N 2.89Å; G699-A702 PolarHBondContact O-N 3.38Å; L700-A702 VanDerWaalsContact C-N 3.33Å; L700-A702 PolarHBondContact O-N 3.44Å; A702-G705 PolarHBondContact O-N 3.16Å; A702-A706 VanDerWaalsContact O-CB 3.22Å; A702-A706 WeakPolarHBondContact O-CB 3.37Å; A702-A706 PolarHBondContact O-N 2.89Å
703	A	90.8	Very high	89.3	Confident	61 Å²	61	62.3 Å²	62.3	50%	0.504	37%	0.367	S	S	.	.	H	α-helix	trans	-64.4	-45.2	178.7	0	0	0	0	0	112.5	G699 L700 A707	G699-A703 WeakPolarHBondContact O-CB 3.27Å; G699-A703 PolarHBondContact O-N 3.41Å; L700-A703 PolarHBondContact O-N 3.21Å; A703-A707 WeakPolarHBondContact O-CB 3.3Å; A703-A707 PolarHBondContact O-N 2.9Å
704	I	89.8	Confident	89.8	Confident	26 Å²	26	63.8 Å²	63.8	13%	0.133	37%	0.373	C	S	.	.	H	α-helix	trans	-68.5	-42.5	178	-67.6	178.9	0	0	0	110.7	Y667 I670 F671 L700 A701 A707 Y708	Y667-I704 HydrophobicContact CD1-CG2 3.9Å; I670-I704 HydrophobicContact CG2-CD1 4.17Å; F671-I704 HydrophobicContact CB-CD1 3.78Å; F671-I704 HydrophobicContact CD2-CD1 4.13Å; F671-I704 HydrophobicContact CG-CD1 4.48Å; L700-I704 HydrophobicContact CD1-CD1 3.84Å; L700-I704 HydrophobicContact CD1-CG1 4.24Å; L700-I704 HydrophobicContact CG-CD1 3.97Å; L700-I704 WeakPolarHBondContact O-CG1 3.07Å; L700-I704 PolarHBondContact O-N 3.16Å; A701-I704 PolarHBondContact O-N 3.13Å; I704-A707 PolarHBondContact O-N 3.3Å; I704-Y708 WeakPolarHBondContact O-CB 3.45Å; I704-Y708 PolarHBondContact O-N 2.77Å
705	G	89.7	Confident	90	Very high	30 Å²	30	60.4 Å²	60.4	31%	0.309	35%	0.352	S	S	.	.	H	α-helix	trans	-59.1	-47.4	174.9	0	0	0	0	0	112	A701 A702 A707 Y708 Q709	A701-G705 PolarHBondContact O-N 3.15Å; A702-G705 PolarHBondContact O-N 3.16Å; G705-A707 PolarHBondContact O-N 3.06Å; G705-Y708 WeakPolarHBondContact O-CB 3.39Å; G705-Y708 PolarHBondContact O-N 2.84Å; G705-Q709 WeakPolarHBondContact O-CB 3.4Å; G705-Q709 WeakPolarHBondContact O-CG 3.11Å; G705-Q709 PolarHBondContact O-N 2.66Å
706	A	89.8	Confident	90.1	Very high	55 Å²	55	60.1 Å²	60.1	46%	0.455	34%	0.344	S	S	.	.	H	α-helix	trans	-62.6	-41.5	175.1	0	0	0	0	0	112	A702 Y708 Q709 R710	A702-A706 VanDerWaalsContact O-CB 3.22Å; A702-A706 WeakPolarHBondContact O-CB 3.37Å; A702-A706 PolarHBondContact O-N 2.89Å; A706-Y708 VanDerWaalsContact C-N 3.33Å; A706-Y708 PolarHBondContact O-N 2.88Å; A706-Q709 PolarHBondContact O-N 3.01Å; A706-R710 WeakPolarHBondContact O-CB 3.2Å; A706-R710 PolarHBondContact O-N 2.06Å
707	A	89.4	Confident	90.2	Very high	46 Å²	46	61 Å²	61	38%	0.38	34%	0.344	S	S	.	.	H	α-helix	trans	-64.4	-36.8	176.2	0	0	0	0	0	112.6	A703 I704 G705	A703-A707 WeakPolarHBondContact O-CB 3.3Å; A703-A707 PolarHBondContact O-N 2.9Å; I704-A707 PolarHBondContact O-N 3.3Å; G705-A707 PolarHBondContact O-N 3.06Å
708	Y	90.9	Very high	90.1	Very high	22 Å²	22	65.2 Å²	65.2	9%	0.086	36%	0.358	C	S	.	.	H	α-helix	trans	-65.8	-57.7	172.5	176.5	-94.7	0	0	0	110.6	A664 Y667 I704 G705 A706 R710 R711 W712 H714	A664-Y708 HydrophobicContact CB-CE2 4.2Å; Y667-Y708 HydrophobicContact CD1-CD2 4.2Å; Y667-Y708 HydrophobicContact CD1-CG 4.47Å; Y667-Y708 AromaticContact CD2-CD2 3.76Å; Y667-Y708 HydrophobicContact CD2-CD2 3.76Å; Y667-Y708 HydrophobicContact CD2-CE2 4.47Å; Y667-Y708 HydrophobicContact CE1-CD2 4.46Å; Y667-Y708 HydrophobicContact CE2-CD2 4.04Å; Y667-Y708 AromaticContact CG-CD2 3.83Å; Y667-Y708 HydrophobicContact CG-CD2 3.83Å; Y667-Y708 HydrophobicContact CG-CG 4.46Å; I704-Y708 WeakPolarHBondContact O-CB 3.45Å; I704-Y708 PolarHBondContact O-N 2.77Å; G705-Y708 WeakPolarHBondContact O-CB 3.39Å; G705-Y708 PolarHBondContact O-N 2.84Å; A706-Y708 VanDerWaalsContact C-N 3.33Å; A706-Y708 PolarHBondContact O-N 2.88Å; Y708-R710 PolarHBondContact O-N 3.16Å; Y708-R711 PolarHBondContact O-N 3.1Å; Y708-W712 HydrophobicContact CD1-CB 4.38Å; Y708-W712 HydrophobicContact CD2-CB 4.03Å; Y708-W712 AromaticContact CD2-CD1 3.88Å; Y708-W712 HydrophobicContact CD2-CG 4.12Å; Y708-W712 HydrophobicContact CE1-CB 4.01Å; Y708-W712 HydrophobicContact CE2-CB 3.63Å; Y708-W712 AromaticContact CE2-CG 3.82Å; Y708-W712 HydrophobicContact CE2-CG 3.82Å; Y708-W712 HydrophobicContact CG-CB 4.38Å; Y708-W712 WeakPolarHBondContact O-CB 3.21Å; Y708-W712 PolarHBondContact O-N 3.37Å; Y708-H714 HydrophobicContact CE1-CB 4.16Å
709	Q	88.6	Confident	89.8	Confident	112 Å²	112	60.7 Å²	60.7	52%	0.523	33%	0.33	S	S	.	.	H	α-helix	trans	-60.8	-32.6	-176.4	-73.2	-175.7	-21.1	0	0	112.4	R580 G705 A706 R711	R580-Q709 PolarHBondContact NE-O 3.27Å; R580-Q709 PolarHBondContact NH2-O 3.45Å; G705-Q709 WeakPolarHBondContact O-CB 3.4Å; G705-Q709 WeakPolarHBondContact O-CG 3.11Å; G705-Q709 PolarHBondContact O-N 2.66Å; A706-Q709 PolarHBondContact O-N 3.01Å; Q709-R711 PolarHBondContact O-N 3.18Å
710	R	88.8	Confident	89.2	Confident	215 Å²	215	65.9 Å²	65.9	81%	0.811	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-25.9	174.2	-172.5	173.1	-177	177	3.6	113.6	A706 Y708	A706-R710 WeakPolarHBondContact O-CB 3.2Å; A706-R710 PolarHBondContact O-N 2.06Å; Y708-R710 PolarHBondContact O-N 3.16Å
711	R	90.5	Very high	88.1	Confident	155 Å²	155	65.1 Å²	65.1	59%	0.585	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.1	-20.3	-173.5	-68.3	-178.1	176.8	-178.9	1.7	114.1	K581 Y708 Q709	K581-R711 WeakPolarHBondContact CB-O 3.41Å; K581-R711 VanDerWaalsContact CE-O 3.24Å; K581-R711 WeakPolarHBondContact CE-O 2.78Å; K581-R711 PolarHBondContact N-O 2.83Å; Y708-R711 PolarHBondContact O-N 3.1Å; Q709-R711 PolarHBondContact O-N 3.18Å
712	W	93.4	Very high	86.6	Confident	21 Å²	21	71.5 Å²	71.5	8%	0.08	38%	0.378	C	S	.	.	B	Isolated β-bridge	trans	-134.5	148.4	-170.8	-66	96.4	0	0	0	111	R580 K581 N584 Y667 Y708	R580-W712 PolarHBondContact NE-O 3.26Å; R580-W712 PolarHBondContact NH2-O 3.23Å; K581-W712 HydrophobicContact CB-CD2 3.86Å; K581-W712 HydrophobicContact CB-CE3 3.51Å; K581-W712 HydrophobicContact CB-CH2 4.36Å; K581-W712 HydrophobicContact CB-CZ3 3.79Å; K581-W712 HydrophobicContact CD-CH2 4.42Å; K581-W712 HydrophobicContact CD-CZ2 4.25Å; K581-W712 VanDerWaalsContact NZ-NE1 3.15Å; K581-W712 CarbonylContact O-C 3.56Å; K581-W712 VanDerWaalsContact O-CA 3.28Å; K581-W712 WeakPolarHBondContact O-CA 3.34Å; N584-W712 HydrophobicContact CB-CH2 3.76Å; N584-W712 HydrophobicContact CB-CZ2 4.44Å; Y667-W712 AromaticContact CE2-NE1 3.88Å; Y708-W712 HydrophobicContact CD1-CB 4.38Å; Y708-W712 HydrophobicContact CD2-CB 4.03Å; Y708-W712 AromaticContact CD2-CD1 3.88Å; Y708-W712 HydrophobicContact CD2-CG 4.12Å; Y708-W712 HydrophobicContact CE1-CB 4.01Å; Y708-W712 HydrophobicContact CE2-CB 3.63Å; Y708-W712 AromaticContact CE2-CG 3.82Å; Y708-W712 HydrophobicContact CE2-CG 3.82Å; Y708-W712 HydrophobicContact CG-CB 4.38Å; Y708-W712 WeakPolarHBondContact O-CB 3.21Å; Y708-W712 PolarHBondContact O-N 3.37Å
713	I	91.4	Very high	86.4	Confident	14 Å²	14	72 Å²	72	7%	0.072	37%	0.371	C	S	.	.			trans	-104.7	128.7	163.9	-70.4	161.5	0	0	0	106.4	R580 K581 L582 I604 A640 N660 D717	R580-I713 HydrophobicContact CB-CD1 3.67Å; R580-I713 HydrophobicContact CB-CG1 3.58Å; R580-I713 HydrophobicContact CG-CG1 4.32Å; K581-I713 PolarHBondContact O-N 3.24Å; L582-I713 HydrophobicContact CD2-CB 4.03Å; L582-I713 HydrophobicContact CD2-CG2 4.09Å; I604-I713 HydrophobicContact CB-CD1 3.9Å; I604-I713 HydrophobicContact CD1-CD1 3.92Å; I604-I713 HydrophobicContact CG1-CD1 4.39Å; I604-I713 HydrophobicContact CG2-CD1 4.47Å; A640-I713 HydrophobicContact CB-CG2 3.75Å; N660-I713 PolarHBondContact ND2-O 2.62Å; I713-D717 HydrophobicContact CG2-CB 4.09Å
714	H	91.9	Very high	86.1	Confident	49 Å²	49	72.5 Å²	72.5	23%	0.227	36%	0.364	C	S	.	.			trans	-76.9	149.5	174.2	-174.5	-102.9	0	0	0	110.3	Y708 H716 D717	Y708-H714 HydrophobicContact CE1-CB 4.16Å; H714-H716 AromaticContact CE1-CD2 3.76Å; H714-H716 PolarHBondContact ND1-N 3.04Å; H714-H716 PolarHBondContact O-N 3.27Å; H714-H716 VanDerWaalsContact O-N 3.16Å; H714-D717 WeakPolarHBondContact CB-OD2 3.14Å; H714-D717 PolarHBondContact N-OD2 2.98Å; H714-D717 WeakPolarHBondContact O-CB 3.23Å; H714-D717 PolarHBondContact O-N 2.84Å
715	I	89.6	Confident	85.9	Confident	0 Å²	0	75.1 Å²	75.1	0%	0	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-28.8	-169.6	-156.9	61.2	0	0	0	113.9	A640 E641 V644 I657 N660 R661	A640-I715 HydrophobicContact CB-CD1 4.28Å; E641-I715 HydrophobicContact CB-CD1 4.3Å; E641-I715 HydrophobicContact CB-CG1 3.85Å; E641-I715 HydrophobicContact CG-CG1 4.17Å; E641-I715 PolarHBondContact N-O 3.06Å; V644-I715 HydrophobicContact CG2-CD1 4.27Å; I657-I715 HydrophobicContact CB-CG1 4.38Å; I657-I715 HydrophobicContact CG1-CD1 3.85Å; I657-I715 HydrophobicContact CG1-CG1 3.9Å; I657-I715 HydrophobicContact CG2-CG1 4.15Å; N660-I715 HydrophobicContact CB-CB 4.5Å; N660-I715 PolarHBondContact OD1-N 2.77Å; R661-I715 HydrophobicContact CG-CG2 4.49Å
716	H	89.2	Confident	85.7	Confident	93 Å²	93	77.8 Å²	77.8	43%	0.431	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	0.2	177.2	-60.8	-50.8	0	0	0	113.8	E641 R661 H714	E641-H716 IonicContact OE2-CE1 3.07Å; E641-H716 PolarHBondContact OE2-CE1 3.47Å; E641-H716 IonicContact OE2-ND1 2.68Å; E641-H716 PolarHBondContact OE2-ND1 2.86Å; R661-H716 PolarHBondContact NH2-NE2 3.04Å; H714-H716 AromaticContact CE1-CD2 3.76Å; H714-H716 PolarHBondContact ND1-N 3.04Å; H714-H716 PolarHBondContact O-N 3.27Å; H714-H716 VanDerWaalsContact O-N 3.16Å
717	D	88.5	Confident	85.4	Confident	50 Å²	50	79.2 Å²	79.2	27%	0.267	38%	0.377	S	S	.	.	S	Bend	trans	-68.3	138.5	177.1	-69.3	-14.1	0	0	0	110.1	T639 A640 I713 H714	T639-D717 WeakPolarHBondContact CA-O 3.3Å; A640-D717 PolarHBondContact N-O 2.93Å; I713-D717 HydrophobicContact CG2-CB 4.09Å; H714-D717 WeakPolarHBondContact CB-OD2 3.14Å; H714-D717 PolarHBondContact N-OD2 2.98Å; H714-D717 WeakPolarHBondContact O-CB 3.23Å; H714-D717 PolarHBondContact O-N 2.84Å
718	Y	87.5	Confident	85.2	Confident	133 Å²	133	81.4 Å²	81.4	52%	0.522	38%	0.376	S	S	.	.	B	Isolated β-bridge	trans	-65.9	134	167.6	-74.3	-83.8	0	0	0	110	Q638 H720	Q638-Y718 HydrophobicContact CG-CD1 3.74Å; Q638-Y718 HydrophobicContact CG-CE1 3.59Å; Q638-Y718 WeakPolarHBondContact O-CA 3.07Å; Y718-H720 VanDerWaalsContact C-N 3.35Å; Y718-H720 PolarHBondContact O-CD2 3.31Å; Y718-H720 PolarHBondContact O-N 2.92Å
719	I	84.1	Confident	84.8	Confident	9 Å²	9	85.6 Å²	85.6	5%	0.046	40%	0.397	C	S	.	.			trans	-81.1	91	173.7	-52.9	174.5	0	0	0	107.5	L507 R514 I604 T606 Q638 L643	L507-I719 HydrophobicContact CD2-CG2 3.44Å; L507-I719 VanDerWaalsContact CD2-CG2 3.44Å; R514-I719 PolarHBondContact NH1-O 2.95Å; R514-I719 PolarHBondContact NH2-O 2.88Å; I604-I719 HydrophobicContact CD1-CD1 4.2Å; T606-I719 HydrophobicContact CG2-CG2 4.43Å; Q638-I719 PolarHBondContact O-N 2.91Å; L643-I719 HydrophobicContact CB-CD1 3.9Å; L643-I719 HydrophobicContact CD1-CD1 3.55Å; L643-I719 HydrophobicContact CG-CD1 4.36Å
720	H	77.3	Confident	84.5	Confident	150 Å²	150	83.6 Å²	83.6	69%	0.694	39%	0.387	S	S	*	.			trans	-71	128.8	172.9	-65.6	-76.9	0	0	0	110	Y718	Y718-H720 VanDerWaalsContact C-N 3.35Å; Y718-H720 PolarHBondContact O-CD2 3.31Å; Y718-H720 PolarHBondContact O-N 2.92Å
721	M	68.9	Low	84.1	Confident	20 Å²	20	72.7 Å²	72.7	10%	0.099	35%	0.352	C	S	.	.			trans	-115	116.1	168.5	-59.1	-159	68.1	0	0	106.8	L507 R508 R509 R514	L507-M721 HydrophobicContact CD1-SD 4.12Å; L507-M721 HydrophobicContact CD2-CE 4.38Å; L507-M721 HydrophobicContact CD2-CG 4.24Å; L507-M721 HydrophobicContact CD2-SD 3.78Å; L507-M721 HydrophobicContact CG-CE 3.89Å; L507-M721 HydrophobicContact CG-SD 3.66Å; R508-M721 VanDerWaalsContact CA-CE 3.47Å; R509-M721 HydrophobicContact CB-CE 4Å; R509-M721 HydrophobicContact CB-SD 4.29Å; R509-M721 PolarHBondContact NH1-O 3.1Å; R514-M721 HydrophobicContact CB-SD 4.45Å; R514-M721 HydrophobicContact CG-SD 3.76Å
722	C	57.2	Low	83.5	Confident	178 Å²	178	65.2 Å²	65.2	100%	1.203	33%	0.331	S	S	*	.			trans	-65.4	0	166.9	-59.3	0	0	0	0	109

Retrieved 722 of 722 residues in 260.9 ms (Link to these results)

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