A0A096LUG1_POEFO Loading...

Ubiquitin carboxyl-terminal hydrolase

AlphaFold DB , UniProt , Accession A0A096LUG1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 491 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	51.7	Low	72.6	Confident	203 Å²	203	61.1 Å²	61.1	100%	1	34%	0.341	S	S	*	.				0	96.4	0	-61.7	173.1	-169.6	0	0	106.9	V3	M1-V3 PolarHBondContact O-N 2.92Å
2	P	55.1	Low	72.4	Confident	54 Å²	54	73.8 Å²	73.8	35%	0.351	39%	0.39	S	S	.	.			trans	-82.4	75.8	-172.6	35.4	-33.7	0	0	0	109.4	F4 T22	P2-F4 HydrophobicContact CB-CD2 4.43Å; P2-F4 HydrophobicContact CB-CE2 3.61Å; P2-F4 HydrophobicContact CB-CZ 3.8Å; P2-F4 HydrophobicContact CG-CE2 4.38Å; P2-F4 VanDerWaalsContact O-CD2 3.22Å; P2-F4 WeakPolarHBondContact O-CD2 3.33Å; P2-F4 WeakPolarHBondContact O-CE2 3.28Å; P2-T22 WeakPolarHBondContact CG-OG1 3.27Å
3	V	69.6	Low	72.7	Confident	73 Å²	73	76.2 Å²	76.2	44%	0.442	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	118.4	164.7	-178.3	0	0	0	0	106.7	M1 E19	M1-V3 PolarHBondContact O-N 2.92Å; V3-E19 HydrophobicContact CG1-CB 4.32Å
4	F	75.1	Confident	73	Confident	43 Å²	43	78.5 Å²	78.5	19%	0.189	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	137.6	176.7	-60.1	-88.3	0	0	0	110.3	P2 V6 L20 T22 L63 N65	P2-F4 HydrophobicContact CB-CD2 4.43Å; P2-F4 HydrophobicContact CB-CE2 3.61Å; P2-F4 HydrophobicContact CB-CZ 3.8Å; P2-F4 HydrophobicContact CG-CE2 4.38Å; P2-F4 VanDerWaalsContact O-CD2 3.22Å; P2-F4 WeakPolarHBondContact O-CD2 3.33Å; P2-F4 WeakPolarHBondContact O-CE2 3.28Å; F4-V6 HydrophobicContact CB-CG1 4.46Å; F4-L20 HydrophobicContact CD2-CD2 4.41Å; F4-L20 PolarHBondContact N-O 3.15Å; F4-L20 PolarHBondContact O-N 3.4Å; F4-T22 HydrophobicContact CD2-CG2 3.8Å; F4-T22 HydrophobicContact CE2-CG2 3.65Å; F4-L63 HydrophobicContact CD1-CB 4.41Å; F4-L63 HydrophobicContact CD2-CB 4.3Å; F4-L63 HydrophobicContact CE1-CB 4.47Å; F4-L63 HydrophobicContact CE2-CB 4.33Å; F4-L63 HydrophobicContact CG-CB 4.33Å; F4-L63 HydrophobicContact CZ-CB 4.42Å; F4-N65 WeakPolarHBondContact CA-OD1 3.26Å; F4-N65 WeakPolarHBondContact CB-OD1 3.31Å; F4-N65 VanDerWaalsContact CD1-OD1 3.24Å; F4-N65 WeakPolarHBondContact CD1-OD1 3.46Å
5	T	76.7	Confident	73.4	Confident	57 Å²	57	76.3 Å²	76.3	35%	0.35	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	119.6	170.6	-5.3	0	0	0	0	108.7	A17 N65 G66	T5-A17 HydrophobicContact CG2-CB 3.86Å; T5-N65 PolarHBondContact N-OD1 3.15Å; T5-G66 PolarHBondContact O-N 3.08Å
6	V	80.3	Confident	73.4	Confident	0 Å²	0	77.4 Å²	77.4	0%	0	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	153.2	-177.3	-64.3	0	0	0	0	111	F4 V8 V18 L20 F29 M67 L69	F4-V6 HydrophobicContact CB-CG1 4.46Å; V6-V8 HydrophobicContact CG2-CG2 4.47Å; V6-V18 HydrophobicContact CG2-CB 4.31Å; V6-V18 WeakPolarHBondContact CG2-O 3.29Å; V6-V18 PolarHBondContact N-O 3.02Å; V6-V18 PolarHBondContact O-N 3.45Å; V6-L20 HydrophobicContact CG1-CB 4.47Å; V6-L20 HydrophobicContact CG1-CD1 4.26Å; V6-L20 HydrophobicContact CG2-CB 3.94Å; V6-L20 HydrophobicContact CG2-CD1 3.99Å; V6-F29 HydrophobicContact CG2-CE2 4.2Å; V6-F29 HydrophobicContact CG2-CZ 3.99Å; V6-M67 WeakPolarHBondContact CA-O 3.46Å; V6-L69 HydrophobicContact CB-CD1 3.95Å; V6-L69 HydrophobicContact CB-CG 4.38Å; V6-L69 HydrophobicContact CG1-CD1 4.38Å; V6-L69 HydrophobicContact CG2-CD1 3.61Å
7	N	80.1	Confident	73.3	Confident	31 Å²	31	76.6 Å²	76.6	17%	0.166	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	131.9	175.8	-61.7	-26.4	0	0	0	108.7	F15 D16 A17 M67 T68 L69	N7-F15 CarbonylContact C-O 3.5Å; N7-F15 WeakPolarHBondContact CA-O 3.3Å; N7-D16 WeakPolarHBondContact CB-OD1 3.08Å; N7-D16 VanDerWaalsContact OD1-CA 3.32Å; N7-D16 WeakPolarHBondContact OD1-CA 3.46Å; N7-D16 PolarHBondContact OD1-OD1 3.28Å; N7-A17 PolarHBondContact OD1-N 3.1Å; N7-M67 PolarHBondContact N-O 3.46Å; N7-T68 HydrophobicContact CB-CG2 4.46Å; N7-T68 CarbonylContact O-C 3.55Å; N7-T68 WeakPolarHBondContact O-CA 3.47Å; N7-L69 PolarHBondContact O-N 2.79Å
8	V	80.3	Confident	73.4	Confident	0 Å²	0	72.8 Å²	72.8	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	122.8	-177.7	-177.5	0	0	0	0	109.2	V6 F15 V18 F29 L33 L69 M71	V6-V8 HydrophobicContact CG2-CG2 4.47Å; V8-F15 PolarHBondContact N-O 2.99Å; V8-F15 PolarHBondContact O-N 3.28Å; V8-V18 HydrophobicContact CB-CG2 4.47Å; V8-V18 HydrophobicContact CG2-CB 4.33Å; V8-V18 HydrophobicContact CG2-CG2 4.03Å; V8-F29 HydrophobicContact CG2-CZ 4.15Å; V8-L33 HydrophobicContact CB-CD2 4.16Å; V8-L33 HydrophobicContact CG1-CD2 3.81Å; V8-L33 HydrophobicContact CG2-CD2 3.93Å; V8-L69 CarbonylContact C-O 3.43Å; V8-L69 WeakPolarHBondContact CA-O 3.4Å; V8-L69 HydrophobicContact CG2-CB 4.17Å; V8-L69 HydrophobicContact CG2-CD1 4.18Å; V8-M71 HydrophobicContact CG1-CB 3.93Å
9	K	78.5	Confident	73.6	Confident	95 Å²	95	75.7 Å²	75.7	41%	0.413	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	122.7	176.9	-170.6	179.4	-179.9	-179.5	0	109.7	E13 T68 L69 L70 M71	K9-E13 WeakPolarHBondContact CA-O 3.37Å; K9-T68 HydrophobicContact CB-CG2 4.34Å; K9-L69 PolarHBondContact N-O 3.15Å; K9-L70 WeakPolarHBondContact O-CA 3.49Å; K9-M71 PolarHBondContact O-N 3.3Å
10	W	77.6	Confident	73.6	Confident	54 Å²	54	72 Å²	72	21%	0.205	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	113.3	175.3	176.3	57.1	0	0	0	109.2	K12 E13 T37 V39 M71 G73	W10-K12 PolarHBondContact O-N 2.83Å; W10-E13 PolarHBondContact N-O 2.83Å; W10-E13 PolarHBondContact O-N 3.08Å; W10-T37 HydrophobicContact CB-CG2 4.35Å; W10-T37 HydrophobicContact CD2-CG2 4.02Å; W10-T37 HydrophobicContact CE3-CG2 3.76Å; W10-T37 HydrophobicContact CG-CG2 4.31Å; W10-T37 VanDerWaalsContact CH2-O 3.23Å; W10-T37 WeakPolarHBondContact CH2-O 3.45Å; W10-T37 HydrophobicContact CZ3-CG2 4.35Å; W10-V39 HydrophobicContact CH2-CG2 4.21Å; W10-V39 HydrophobicContact CZ2-CG2 3.46Å; W10-V39 VanDerWaalsContact CZ2-CG2 3.46Å; W10-M71 HydrophobicContact CB-CB 4.4Å; W10-M71 HydrophobicContact CB-CE 3.91Å; W10-M71 HydrophobicContact CD2-CE 3.86Å; W10-M71 HydrophobicContact CG-CE 3.41Å; W10-M71 VanDerWaalsContact CG-CE 3.41Å; W10-M71 HydrophobicContact CG-SD 4.09Å; W10-G73 PolarHBondContact NE1-O 3.44Å
11	G	73.4	Confident	73.7	Confident	62 Å²	62	70.5 Å²	70.5	64%	0.639	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	-114.2	-174.3	0	0	0	0	0	112.8
12	K	70.7	Confident	74.4	Confident	214 Å²	214	62.8 Å²	62.8	93%	0.93	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-12	176.9	-68.6	-178.9	-178.7	175.6	0	113.4	W10	W10-K12 PolarHBondContact O-N 2.83Å
13	E	75.8	Confident	75	Confident	104 Å²	104	66.8 Å²	66.8	49%	0.486	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	146.9	-177.9	-63.9	-176.7	168.9	0	0	111.4	K9 W10 F15	K9-E13 WeakPolarHBondContact CA-O 3.37Å; W10-E13 PolarHBondContact N-O 2.83Å; W10-E13 PolarHBondContact O-N 3.08Å; E13-F15 HydrophobicContact CB-CE2 4.08Å; E13-F15 HydrophobicContact CB-CZ 4.28Å
14	K	77.4	Confident	75.1	Confident	109 Å²	109	67.6 Å²	67.6	47%	0.474	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	118.1	-179.5	-172	173.5	177.3	-97	0	108.8	D16	K14-D16 VanDerWaalsContact CE-OD1 3.3Å; K14-D16 WeakPolarHBondContact CE-OD1 3.43Å; K14-D16 VanDerWaalsContact NZ-CG 3.31Å; K14-D16 IonicContact NZ-OD1 2.64Å; K14-D16 PolarHBondContact NZ-OD1 2.57Å; K14-D16 IonicContact NZ-OD2 3.13Å; K14-D16 PolarHBondContact NZ-OD2 2.67Å; K14-D16 VanDerWaalsContact NZ-OD2 3.13Å
15	F	79	Confident	75.1	Confident	46 Å²	46	69.3 Å²	69.3	20%	0.202	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	108.1	176.9	-58.3	-82.7	0	0	0	107.8	N7 V8 E13 V18 L36 T37	N7-F15 CarbonylContact C-O 3.5Å; N7-F15 WeakPolarHBondContact CA-O 3.3Å; V8-F15 PolarHBondContact N-O 2.99Å; V8-F15 PolarHBondContact O-N 3.28Å; E13-F15 HydrophobicContact CB-CE2 4.08Å; E13-F15 HydrophobicContact CB-CZ 4.28Å; F15-V18 HydrophobicContact CB-CG2 4.01Å; F15-L36 HydrophobicContact CD1-CB 4.45Å; F15-L36 HydrophobicContact CE1-CB 4.32Å; F15-T37 HydrophobicContact CD2-CG2 4.4Å; F15-T37 HydrophobicContact CE2-CG2 3.69Å; F15-T37 HydrophobicContact CZ-CG2 4.11Å
16	D	72.9	Confident	74.9	Confident	94 Å²	94	66.7 Å²	66.7	50%	0.503	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	146.7	-179.6	-71.7	-35.3	0	0	0	110.9	N7 K14	N7-D16 WeakPolarHBondContact CB-OD1 3.08Å; N7-D16 VanDerWaalsContact OD1-CA 3.32Å; N7-D16 WeakPolarHBondContact OD1-CA 3.46Å; N7-D16 PolarHBondContact OD1-OD1 3.28Å; K14-D16 VanDerWaalsContact CE-OD1 3.3Å; K14-D16 WeakPolarHBondContact CE-OD1 3.43Å; K14-D16 VanDerWaalsContact NZ-CG 3.31Å; K14-D16 IonicContact NZ-OD1 2.64Å; K14-D16 PolarHBondContact NZ-OD1 2.57Å; K14-D16 IonicContact NZ-OD2 3.13Å; K14-D16 PolarHBondContact NZ-OD2 2.67Å; K14-D16 VanDerWaalsContact NZ-OD2 3.13Å
17	A	72	Confident	74.6	Confident	63 Å²	63	72.2 Å²	72.2	52%	0.521	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	60.6	41.8	177.1	0	0	0	0	0	116.1	T5 N7 E19	T5-A17 HydrophobicContact CG2-CB 3.86Å; N7-A17 PolarHBondContact OD1-N 3.1Å; A17-E19 PolarHBondContact O-N 3.2Å
18	V	75.8	Confident	74.4	Confident	9 Å²	9	73.8 Å²	73.8	6%	0.055	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	125.2	169.3	-172	0	0	0	0	109.1	V6 V8 F15 F29 L36	V6-V18 HydrophobicContact CG2-CB 4.31Å; V6-V18 WeakPolarHBondContact CG2-O 3.29Å; V6-V18 PolarHBondContact N-O 3.02Å; V6-V18 PolarHBondContact O-N 3.45Å; V8-V18 HydrophobicContact CB-CG2 4.47Å; V8-V18 HydrophobicContact CG2-CB 4.33Å; V8-V18 HydrophobicContact CG2-CG2 4.03Å; F15-V18 HydrophobicContact CB-CG2 4.01Å; V18-F29 HydrophobicContact CG1-CE2 3.77Å; V18-F29 HydrophobicContact CG1-CZ 4.43Å; V18-L36 HydrophobicContact CG2-CD1 4.3Å
19	E	75.8	Confident	74.3	Confident	127 Å²	127	74.2 Å²	74.2	59%	0.593	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73	128.7	175.7	-64.3	-175.3	163.6	0	0	110.2	V3 A17 Q32	V3-E19 HydrophobicContact CG1-CB 4.32Å; A17-E19 PolarHBondContact O-N 3.2Å; E19-Q32 PolarHBondContact O-OE1 3.17Å
20	L	73.7	Confident	74.1	Confident	2 Å²	2	70.1 Å²	70.1	1%	0.01	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	112.2	178.7	-174.8	160.2	0	0	0	108.2	F4 V6 T22 F29 W58 L63 L69	F4-L20 HydrophobicContact CD2-CD2 4.41Å; F4-L20 PolarHBondContact N-O 3.15Å; F4-L20 PolarHBondContact O-N 3.4Å; V6-L20 HydrophobicContact CG1-CB 4.47Å; V6-L20 HydrophobicContact CG1-CD1 4.26Å; V6-L20 HydrophobicContact CG2-CB 3.94Å; V6-L20 HydrophobicContact CG2-CD1 3.99Å; L20-T22 HydrophobicContact CD2-CG2 3.57Å; L20-F29 HydrophobicContact CB-CD2 4.14Å; L20-F29 HydrophobicContact CB-CE2 3.88Å; L20-F29 HydrophobicContact CD1-CD1 4.37Å; L20-F29 HydrophobicContact CD1-CD2 4.23Å; L20-F29 HydrophobicContact CD1-CE1 4.06Å; L20-F29 HydrophobicContact CD1-CE2 3.9Å; L20-F29 HydrophobicContact CD1-CG 4.46Å; L20-F29 HydrophobicContact CD1-CZ 3.82Å; L20-F29 HydrophobicContact CG-CD2 4Å; L20-F29 HydrophobicContact CG-CE2 4Å; L20-F29 HydrophobicContact CG-CG 4.41Å; L20-F29 HydrophobicContact CG-CZ 4.43Å; L20-W58 HydrophobicContact CD1-CH2 3.98Å; L20-W58 HydrophobicContact CD1-CZ3 3.9Å; L20-W58 HydrophobicContact CD2-CH2 3.66Å; L20-W58 HydrophobicContact CD2-CZ2 4.37Å; L20-W58 HydrophobicContact CD2-CZ3 3.79Å; L20-W58 HydrophobicContact CG-CH2 3.73Å; L20-W58 HydrophobicContact CG-CZ3 4.07Å; L20-L63 HydrophobicContact CD1-CD2 4.3Å; L20-L63 HydrophobicContact CD2-CD1 3.72Å; L20-L69 HydrophobicContact CD1-CD1 4.14Å
21	N	75.8	Confident	74	Confident	40 Å²	40	69.7 Å²	69.7	21%	0.214	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	118	175.1	-172	-0.2	0	0	0	109.8	E23 E24	N21-E23 VanDerWaalsContact C-N 3.3Å; N21-E23 PolarHBondContact OD1-N 3.28Å; N21-E23 VanDerWaalsContact OD1-N 3.08Å; N21-E24 HydrophobicContact CB-CG 4.46Å; N21-E24 PolarHBondContact ND2-OE1 3.29Å
22	T	67.3	Low	74.2	Confident	42 Å²	42	70.5 Å²	70.5	26%	0.258	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-4.4	179	59.8	0	0	0	0	113.8	P2 F4 L20 L63	P2-T22 WeakPolarHBondContact CG-OG1 3.27Å; F4-T22 HydrophobicContact CD2-CG2 3.8Å; F4-T22 HydrophobicContact CE2-CG2 3.65Å; L20-T22 HydrophobicContact CD2-CG2 3.57Å; T22-L63 HydrophobicContact CG2-CD1 3.43Å; T22-L63 VanDerWaalsContact CG2-CD1 3.43Å
23	E	67.2	Low	74.4	Confident	138 Å²	138	60.3 Å²	60.3	65%	0.645	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-19	172	-68.1	179.9	-173.2	0	0	112	N21	N21-E23 VanDerWaalsContact C-N 3.3Å; N21-E23 PolarHBondContact OD1-N 3.28Å; N21-E23 VanDerWaalsContact OD1-N 3.08Å
24	E	72.8	Confident	74.6	Confident	89 Å²	89	59.5 Å²	59.5	42%	0.416	31%	0.314	S	S	.	.	S	Bend	trans	-94.2	152.3	178.1	-72.7	169.2	-148.9	0	0	111.5	N21 V28 W58	N21-E24 HydrophobicContact CB-CG 4.46Å; N21-E24 PolarHBondContact ND2-OE1 3.29Å; E24-V28 HydrophobicContact CB-CB 4.41Å; E24-V28 HydrophobicContact CB-CG2 4.43Å; E24-V28 WeakPolarHBondContact OE2-CG1 3.23Å; E24-W58 PolarHBondContact O-NE1 3.41Å
25	P	74.6	Confident	74.4	Confident	79 Å²	79	58.4 Å²	58.4	51%	0.513	32%	0.324	S	S	.	.			trans	-57.9	145.1	177	-23.7	33	0	0	0	112.6	M27 V28	P25-M27 PolarHBondContact O-N 3.17Å; P25-V28 PolarHBondContact O-N 3.02Å
26	P	72.1	Confident	74.2	Confident	2 Å²	2	60 Å²	60	1%	0.013	34%	0.335	C	S	.	.	H	α-helix	trans	-52.1	-26.1	175.5	-26.4	34	0	0	0	114.2	V28 F29 K30 L53 W58	P26-V28 VanDerWaalsContact C-N 3.32Å; P26-V28 PolarHBondContact O-N 3.39Å; P26-F29 PolarHBondContact O-N 3.25Å; P26-K30 PolarHBondContact O-N 3.29Å; P26-L53 HydrophobicContact CB-CD1 4.26Å; P26-L53 HydrophobicContact CB-CD2 4.07Å; P26-L53 HydrophobicContact CB-CG 4.11Å; P26-L53 HydrophobicContact CG-CD1 4.43Å; P26-W58 HydrophobicContact CB-CZ2 4.37Å; P26-W58 HydrophobicContact CG-CD2 3.93Å; P26-W58 HydrophobicContact CG-CG 3.99Å; P26-W58 HydrophobicContact CG-CZ2 4.33Å
27	M	72.9	Confident	74.3	Confident	116 Å²	116	56 Å²	56	57%	0.571	31%	0.313	S	S	*	.	H	α-helix	trans	-61.2	-35.4	175.5	-161.5	-176.2	-164.5	0	0	113.2	P25 K30 A31	P25-M27 PolarHBondContact O-N 3.17Å; M27-K30 PolarHBondContact O-N 3.43Å; M27-A31 WeakPolarHBondContact O-CB 3.28Å; M27-A31 PolarHBondContact O-N 3.24Å
28	V	77.9	Confident	74.1	Confident	64 Å²	64	55.1 Å²	55.1	39%	0.388	31%	0.311	S	S	.	.	H	α-helix	trans	-68.4	-40.7	178.7	-175.7	0	0	0	0	110.3	E24 P25 P26 K30 A31 Q32	E24-V28 HydrophobicContact CB-CB 4.41Å; E24-V28 HydrophobicContact CB-CG2 4.43Å; E24-V28 WeakPolarHBondContact OE2-CG1 3.23Å; P25-V28 PolarHBondContact O-N 3.02Å; P26-V28 VanDerWaalsContact C-N 3.32Å; P26-V28 PolarHBondContact O-N 3.39Å; V28-K30 PolarHBondContact O-N 3.12Å; V28-A31 WeakPolarHBondContact O-CB 3.45Å; V28-A31 PolarHBondContact O-N 2.96Å; V28-Q32 PolarHBondContact O-N 3.43Å
29	F	76.3	Confident	74.1	Confident	9 Å²	9	54.7 Å²	54.7	4%	0.039	31%	0.309	C	S	.	.	H	α-helix	trans	-63.9	-40.4	173.4	-175.9	-109.8	0	0	0	111.8	V6 V8 V18 L20 P26 A31 Q32 L33 V46 L53 W58 L69	V6-F29 HydrophobicContact CG2-CE2 4.2Å; V6-F29 HydrophobicContact CG2-CZ 3.99Å; V8-F29 HydrophobicContact CG2-CZ 4.15Å; V18-F29 HydrophobicContact CG1-CE2 3.77Å; V18-F29 HydrophobicContact CG1-CZ 4.43Å; L20-F29 HydrophobicContact CB-CD2 4.14Å; L20-F29 HydrophobicContact CB-CE2 3.88Å; L20-F29 HydrophobicContact CD1-CD1 4.37Å; L20-F29 HydrophobicContact CD1-CD2 4.23Å; L20-F29 HydrophobicContact CD1-CE1 4.06Å; L20-F29 HydrophobicContact CD1-CE2 3.9Å; L20-F29 HydrophobicContact CD1-CG 4.46Å; L20-F29 HydrophobicContact CD1-CZ 3.82Å; L20-F29 HydrophobicContact CG-CD2 4Å; L20-F29 HydrophobicContact CG-CE2 4Å; L20-F29 HydrophobicContact CG-CG 4.41Å; L20-F29 HydrophobicContact CG-CZ 4.43Å; P26-F29 PolarHBondContact O-N 3.25Å; F29-A31 PolarHBondContact O-N 3.4Å; F29-Q32 WeakPolarHBondContact O-CB 3.5Å; F29-Q32 PolarHBondContact O-N 3.36Å; F29-L33 HydrophobicContact CD1-CD1 4.1Å; F29-L33 HydrophobicContact CE1-CD1 3.72Å; F29-L33 HydrophobicContact CE1-CG 4.28Å; F29-L33 HydrophobicContact CZ-CD1 4.26Å; F29-L33 HydrophobicContact CZ-CD2 4.47Å; F29-L33 HydrophobicContact CZ-CG 4.43Å; F29-L33 WeakPolarHBondContact O-CG 3.31Å; F29-L33 PolarHBondContact O-N 3.48Å; F29-V46 HydrophobicContact CE1-CG1 4.47Å; F29-L53 HydrophobicContact CD1-CD2 4.37Å; F29-W58 HydrophobicContact CB-CH2 4.06Å; F29-W58 HydrophobicContact CB-CZ2 4.43Å; F29-W58 HydrophobicContact CD1-CH2 4.41Å; F29-W58 HydrophobicContact CG-CH2 4.26Å; F29-L69 HydrophobicContact CE1-CD1 3.9Å; F29-L69 HydrophobicContact CZ-CD1 3.74Å
30	K	74.1	Confident	74	Confident	9 Å²	9	53.7 Å²	53.7	4%	0.039	30%	0.304	C	S	.	.	H	α-helix	trans	-64.7	-35.6	172.5	-70.9	-171.5	176.8	-164.5	0	113.1	P26 M27 V28 L33 F34 P41 Q44 D55	P26-K30 PolarHBondContact O-N 3.29Å; M27-K30 PolarHBondContact O-N 3.43Å; V28-K30 PolarHBondContact O-N 3.12Å; K30-L33 CarbonylContact O-C 3.58Å; K30-L33 PolarHBondContact O-N 2.57Å; K30-F34 PolarHBondContact O-N 3.13Å; K30-P41 HydrophobicContact CB-CB 4.08Å; K30-Q44 PolarHBondContact NZ-O 2.85Å; K30-Q44 VanDerWaalsContact NZ-O 3.14Å; K30-Q44 PolarHBondContact O-NE2 3.46Å; K30-Q44 PolarHBondContact O-OE1 3.12Å; K30-Q44 VanDerWaalsContact O-OE1 3.11Å; K30-D55 WeakPolarHBondContact CE-OD1 3.3Å; K30-D55 IonicContact NZ-OD1 2.6Å; K30-D55 PolarHBondContact NZ-OD1 3.32Å
31	A	76.5	Confident	73.8	Confident	46 Å²	46	54.9 Å²	54.9	38%	0.38	31%	0.312	S	S	.	.	H	α-helix	trans	-66.2	-38.5	174.1	0	0	0	0	0	111.8	M27 V28 F29 L33 F34 A35	M27-A31 WeakPolarHBondContact O-CB 3.28Å; M27-A31 PolarHBondContact O-N 3.24Å; V28-A31 WeakPolarHBondContact O-CB 3.45Å; V28-A31 PolarHBondContact O-N 2.96Å; F29-A31 PolarHBondContact O-N 3.4Å; A31-L33 VanDerWaalsContact C-N 3.34Å; A31-F34 WeakPolarHBondContact O-CB 3.3Å; A31-F34 PolarHBondContact O-N 3.28Å; A31-A35 PolarHBondContact O-N 3.4Å
32	Q	76.9	Confident	73.5	Confident	78 Å²	78	59.2 Å²	59.2	36%	0.364	34%	0.335	S	S	.	.	H	α-helix	trans	-64.4	-39.1	172.4	-170.6	178	2.2	0	0	111.7	E19 V28 F29 F34 A35 L36	E19-Q32 PolarHBondContact O-OE1 3.17Å; V28-Q32 PolarHBondContact O-N 3.43Å; F29-Q32 WeakPolarHBondContact O-CB 3.5Å; F29-Q32 PolarHBondContact O-N 3.36Å; Q32-F34 VanDerWaalsContact C-N 3.32Å; Q32-F34 PolarHBondContact O-N 3.28Å; Q32-A35 PolarHBondContact O-N 3.45Å; Q32-L36 WeakPolarHBondContact O-CG 3.43Å; Q32-L36 PolarHBondContact O-N 2.69Å
33	L	76.1	Confident	73.4	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-66.5	-31.9	172.1	-69	179.8	0	0	0	112.9	V8 F29 K30 A31 L36 T37 V46	V8-L33 HydrophobicContact CB-CD2 4.16Å; V8-L33 HydrophobicContact CG1-CD2 3.81Å; V8-L33 HydrophobicContact CG2-CD2 3.93Å; F29-L33 HydrophobicContact CD1-CD1 4.1Å; F29-L33 HydrophobicContact CE1-CD1 3.72Å; F29-L33 HydrophobicContact CE1-CG 4.28Å; F29-L33 HydrophobicContact CZ-CD1 4.26Å; F29-L33 HydrophobicContact CZ-CD2 4.47Å; F29-L33 HydrophobicContact CZ-CG 4.43Å; F29-L33 WeakPolarHBondContact O-CG 3.31Å; F29-L33 PolarHBondContact O-N 3.48Å; K30-L33 CarbonylContact O-C 3.58Å; K30-L33 PolarHBondContact O-N 2.57Å; A31-L33 VanDerWaalsContact C-N 3.34Å; L33-L36 PolarHBondContact O-N 2.74Å; L33-T37 WeakPolarHBondContact O-CB 3.47Å; L33-T37 PolarHBondContact O-N 3.11Å; L33-T37 PolarHBondContact O-OG1 2.59Å; L33-V46 HydrophobicContact CD1-CG2 3.59Å
34	F	78.8	Confident	73.6	Confident	88 Å²	88	57.4 Å²	57.4	39%	0.386	32%	0.318	S	S	.	.	H	α-helix	trans	-65.1	-43.5	173.3	168.9	-117.5	0	0	0	110.8	K30 A31 Q32 L36 T37 G38 V39 Q40 P41 Q44	K30-F34 PolarHBondContact O-N 3.13Å; A31-F34 WeakPolarHBondContact O-CB 3.3Å; A31-F34 PolarHBondContact O-N 3.28Å; Q32-F34 VanDerWaalsContact C-N 3.32Å; Q32-F34 PolarHBondContact O-N 3.28Å; F34-L36 PolarHBondContact O-N 3.35Å; F34-T37 PolarHBondContact O-N 3.31Å; F34-G38 WeakPolarHBondContact CE2-O 3.3Å; F34-G38 WeakPolarHBondContact O-CA 3.27Å; F34-G38 PolarHBondContact O-N 3.39Å; F34-V39 VanDerWaalsContact CD2-C 3.43Å; F34-V39 WeakPolarHBondContact CD2-O 3.41Å; F34-Q40 HydrophobicContact CE2-CG 4.15Å; F34-P41 HydrophobicContact CB-CG 4.18Å; F34-Q44 VanDerWaalsContact N-NE2 3.13Å
35	A	74.7	Confident	73.7	Confident	85 Å²	85	58.8 Å²	58.8	70%	0.702	32%	0.322	S	S	*	.	H	α-helix	trans	-60	-30.5	175.6	0	0	0	0	0	112.8	A31 Q32	A31-A35 PolarHBondContact O-N 3.4Å; Q32-A35 PolarHBondContact O-N 3.45Å
36	L	74.9	Confident	73.6	Confident	79 Å²	79	55.1 Å²	55.1	41%	0.414	30%	0.298	S	S	.	.	H	α-helix	trans	-88	-31.9	180	-67.9	173.3	0	0	0	114.3	F15 V18 Q32 L33 F34	F15-L36 HydrophobicContact CD1-CB 4.45Å; F15-L36 HydrophobicContact CE1-CB 4.32Å; V18-L36 HydrophobicContact CG2-CD1 4.3Å; Q32-L36 WeakPolarHBondContact O-CG 3.43Å; Q32-L36 PolarHBondContact O-N 2.69Å; L33-L36 PolarHBondContact O-N 2.74Å; F34-L36 PolarHBondContact O-N 3.35Å
37	T	74.1	Confident	73.6	Confident	10 Å²	10	58.6 Å²	58.6	6%	0.061	32%	0.315	C	S	.	.	H	α-helix	trans	-118.7	-10.6	-169.3	64.3	0	0	0	0	114.4	W10 F15 L33 F34 V39 M71	W10-T37 HydrophobicContact CB-CG2 4.35Å; W10-T37 HydrophobicContact CD2-CG2 4.02Å; W10-T37 HydrophobicContact CE3-CG2 3.76Å; W10-T37 HydrophobicContact CG-CG2 4.31Å; W10-T37 VanDerWaalsContact CH2-O 3.23Å; W10-T37 WeakPolarHBondContact CH2-O 3.45Å; W10-T37 HydrophobicContact CZ3-CG2 4.35Å; F15-T37 HydrophobicContact CD2-CG2 4.4Å; F15-T37 HydrophobicContact CE2-CG2 3.69Å; F15-T37 HydrophobicContact CZ-CG2 4.11Å; L33-T37 WeakPolarHBondContact O-CB 3.47Å; L33-T37 PolarHBondContact O-N 3.11Å; L33-T37 PolarHBondContact O-OG1 2.59Å; F34-T37 PolarHBondContact O-N 3.31Å; T37-V39 PolarHBondContact O-N 3.11Å; T37-V39 VanDerWaalsContact O-N 3.16Å; T37-M71 HydrophobicContact CG2-CE 3.49Å; T37-M71 VanDerWaalsContact CG2-CE 3.49Å; T37-M71 WeakPolarHBondContact OG1-CE 3.43Å
38	G	69	Low	73.5	Confident	46 Å²	46	53.9 Å²	53.9	47%	0.474	29%	0.293	S	S	.	.			trans	70.1	0.5	-177	0	0	0	0	0	115	F34	F34-G38 WeakPolarHBondContact CE2-O 3.3Å; F34-G38 WeakPolarHBondContact O-CA 3.27Å; F34-G38 PolarHBondContact O-N 3.39Å
39	V	75.6	Confident	72.5	Confident	0 Å²	0	60 Å²	60	0%	0	32%	0.315	C	S	.	.			trans	-84.5	121	178.5	-178.3	0	0	0	0	110.1	W10 F34 T37 R43 Q44 M71 A75	W10-V39 HydrophobicContact CH2-CG2 4.21Å; W10-V39 HydrophobicContact CZ2-CG2 3.46Å; W10-V39 VanDerWaalsContact CZ2-CG2 3.46Å; F34-V39 VanDerWaalsContact CD2-C 3.43Å; F34-V39 WeakPolarHBondContact CD2-O 3.41Å; T37-V39 PolarHBondContact O-N 3.11Å; T37-V39 VanDerWaalsContact O-N 3.16Å; V39-R43 HydrophobicContact CG1-CB 4.17Å; V39-Q44 HydrophobicContact CB-CG 4.11Å; V39-Q44 HydrophobicContact CG1-CG 3.8Å; V39-Q44 PolarHBondContact O-NE2 3.06Å; V39-M71 HydrophobicContact CB-CE 4.38Å; V39-M71 HydrophobicContact CG2-CE 4.18Å; V39-A75 HydrophobicContact CG2-CB 4.35Å
40	Q	73.6	Confident	71.7	Confident	105 Å²	105	63.9 Å²	63.9	49%	0.491	36%	0.356	S	S	.	.			trans	-56.4	142.4	-178.7	-73.8	-165.3	-16.2	0	0	112.9	F34 D42 R43 Q44	F34-Q40 HydrophobicContact CE2-CG 4.15Å; Q40-D42 VanDerWaalsContact C-N 3.25Å; Q40-D42 PolarHBondContact O-N 2.8Å; Q40-D42 VanDerWaalsContact O-N 3.11Å; Q40-R43 WeakPolarHBondContact O-CA 3.39Å; Q40-R43 PolarHBondContact O-N 2.85Å; Q40-Q44 PolarHBondContact O-N 2.82Å
41	P	69.6	Low	71.2	Confident	27 Å²	27	65 Å²	65	18%	0.175	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-50.2	-37.7	-175.9	-30.6	36.9	0	0	0	115.2	K30 F34 R43 Q44	K30-P41 HydrophobicContact CB-CB 4.08Å; F34-P41 HydrophobicContact CB-CG 4.18Å; P41-R43 PolarHBondContact O-N 3.01Å; P41-Q44 PolarHBondContact O-N 3.45Å
42	D	67.9	Low	70.7	Confident	131 Å²	131	66 Å²	66	70%	0.701	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-69.1	-20.7	179.8	-55.7	-31.4	0	0	0	113.3	Q40	Q40-D42 VanDerWaalsContact C-N 3.25Å; Q40-D42 PolarHBondContact O-N 2.8Å; Q40-D42 VanDerWaalsContact O-N 3.11Å
43	R	65.5	Low	70.3	Confident	138 Å²	138	62.9 Å²	62.9	52%	0.521	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-103.4	2.6	-179.6	-57.9	-176.3	-176.6	-167.4	-0.2	112.5	V39 Q40 P41	V39-R43 HydrophobicContact CG1-CB 4.17Å; Q40-R43 WeakPolarHBondContact O-CA 3.39Å; Q40-R43 PolarHBondContact O-N 2.85Å; P41-R43 PolarHBondContact O-N 3.01Å
44	Q	71.1	Confident	69.9	Low	5 Å²	5	70.3 Å²	70.3	2%	0.023	39%	0.39	C	S	.	.			trans	-90.1	116.3	176.5	-67.3	175.8	21.9	0	0	111	K30 F34 V39 Q40 P41 M71	K30-Q44 PolarHBondContact NZ-O 2.85Å; K30-Q44 VanDerWaalsContact NZ-O 3.14Å; K30-Q44 PolarHBondContact O-NE2 3.46Å; K30-Q44 PolarHBondContact O-OE1 3.12Å; K30-Q44 VanDerWaalsContact O-OE1 3.11Å; F34-Q44 VanDerWaalsContact N-NE2 3.13Å; V39-Q44 HydrophobicContact CB-CG 4.11Å; V39-Q44 HydrophobicContact CG1-CG 3.8Å; V39-Q44 PolarHBondContact O-NE2 3.06Å; Q40-Q44 PolarHBondContact O-N 2.82Å; P41-Q44 PolarHBondContact O-N 3.45Å; Q44-M71 HydrophobicContact CG-SD 4.34Å
45	K	74.9	Confident	69.1	Low	118 Å²	118	70 Å²	70	51%	0.513	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	100.6	167.5	-163.7	169	-175.1	173	0	109.5	M72	K45-M72 PolarHBondContact N-O 3.31Å; K45-M72 PolarHBondContact O-N 3.26Å
46	V	73.3	Confident	68.3	Low	1 Å²	1	73 Å²	73	1%	0.006	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	115.6	176.5	-175.1	0	0	0	0	109.2	F29 L33 L53 L69 M71	F29-V46 HydrophobicContact CE1-CG1 4.47Å; L33-V46 HydrophobicContact CD1-CG2 3.59Å; V46-L53 HydrophobicContact CB-CB 4.31Å; V46-L53 HydrophobicContact CB-CD2 4.47Å; V46-L53 PolarHBondContact O-N 2.99Å; V46-L69 HydrophobicContact CG1-CB 4.35Å; V46-M71 HydrophobicContact CG2-CG 4.15Å
47	M	70.8	Confident	67.8	Low	76 Å²	76	76.2 Å²	76.2	37%	0.374	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	129.5	178.2	-62.2	-168.5	65.5	0	0	110.7	T52 L70 M72	M47-T52 HydrophobicContact CE-CG2 4.5Å; M47-T52 HydrophobicContact CG-CG2 4.22Å; M47-L70 PolarHBondContact N-O 3.13Å; M47-L70 PolarHBondContact O-N 2.95Å; M47-M72 HydrophobicContact SD-CE 3.65Å
48	V	71.9	Confident	67.2	Low	16 Å²	16	78.6 Å²	78.6	10%	0.097	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	150.4	172.9	-173.7	0	0	0	0	108.1	G50 G51 I61 M67 L69	V48-G50 PolarHBondContact O-N 2.88Å; V48-G51 PolarHBondContact N-O 3.43Å; V48-G51 PolarHBondContact O-N 2.85Å; V48-I61 HydrophobicContact CB-CG2 4.15Å; V48-I61 HydrophobicContact CG1-CG2 3.63Å; V48-I61 HydrophobicContact CG2-CD1 4.46Å; V48-I61 HydrophobicContact CG2-CG2 4.15Å; V48-M67 HydrophobicContact CG1-CE 3.31Å; V48-M67 HydrophobicContact CG1-SD 4.07Å; V48-L69 HydrophobicContact CB-CD2 3.98Å; V48-L69 HydrophobicContact CG1-CD2 3.98Å; V48-L69 HydrophobicContact CG2-CD2 3.34Å
49	K	57	Low	66.6	Low	194 Å²	194	78.3 Å²	78.3	84%	0.843	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	99.7	173.4	-78.7	-172.7	176	-178	0	109.8
50	G	59.1	Low	65.6	Low	89 Å²	89	86.7 Å²	86.7	92%	0.918	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	113.1	0	-179.3	0	0	0	0	0	116	V48	V48-G50 PolarHBondContact O-N 2.88Å
51	G	63.3	Low	65.1	Low	33 Å²	33	83.7 Å²	83.7	34%	0.34	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	175	162.9	174.7	0	0	0	0	0	115.3	V48	V48-G51 PolarHBondContact N-O 3.43Å; V48-G51 PolarHBondContact O-N 2.85Å
52	T	67.6	Low	64.6	Low	66 Å²	66	91.3 Å²	91.3	41%	0.405	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	133.4	172.5	50.9	0	0	0	0	110.2	M47 K54	M47-T52 HydrophobicContact CE-CG2 4.5Å; M47-T52 HydrophobicContact CG-CG2 4.22Å; T52-K54 PolarHBondContact O-N 3.01Å
53	L	68.6	Low	64.5	Low	14 Å²	14	86.2 Å²	86.2	7%	0.073	45%	0.45	C	S	.	.	P	Polyproline II helix	trans	-69.3	123.6	174.4	-169.6	67.9	0	0	0	109.5	P26 F29 V46 W58 I61	P26-L53 HydrophobicContact CB-CD1 4.26Å; P26-L53 HydrophobicContact CB-CD2 4.07Å; P26-L53 HydrophobicContact CB-CG 4.11Å; P26-L53 HydrophobicContact CG-CD1 4.43Å; F29-L53 HydrophobicContact CD1-CD2 4.37Å; V46-L53 HydrophobicContact CB-CB 4.31Å; V46-L53 HydrophobicContact CB-CD2 4.47Å; V46-L53 PolarHBondContact O-N 2.99Å; L53-W58 HydrophobicContact CD1-CD2 4.32Å; L53-W58 HydrophobicContact CD1-CE3 3.6Å; L53-W58 HydrophobicContact CD1-CZ3 3.87Å; L53-W58 HydrophobicContact CD2-CZ3 4.12Å; L53-I61 HydrophobicContact CD1-CD1 3.87Å
54	K	67.1	Low	64.7	Low	156 Å²	156	87 Å²	87	68%	0.678	46%	0.457	S	S	*	.	P	Polyproline II helix	trans	-89.7	163.8	172.8	-67.8	-173.4	178.4	-176.9	0	110.2	T52	T52-K54 PolarHBondContact O-N 3.01Å
55	D	61.5	Low	64.5	Low	80 Å²	80	91.9 Å²	91.9	43%	0.428	48%	0.483	S	S	.	.	S	Bend	trans	-71.4	-31.1	-173.1	-60.9	-43.4	0	0	0	113.4	K30	K30-D55 WeakPolarHBondContact CE-OD1 3.3Å; K30-D55 IonicContact NZ-OD1 2.6Å; K30-D55 PolarHBondContact NZ-OD1 3.32Å
56	D	57.9	Low	64.1	Low	150 Å²	150	88.3 Å²	88.3	80%	0.802	48%	0.48	S	S	*	.	S	Bend	trans	-100.8	-25	-168.2	-55.5	-46.5	0	0	0	114.6
57	E	63.8	Low	64.2	Low	145 Å²	145	89.9 Å²	89.9	68%	0.678	49%	0.488	S	S	*	.			trans	-142.3	136.2	-175.1	-68.8	-176.8	174.8	0	0	113.1	G59	E57-G59 VanDerWaalsContact C-N 3.3Å; E57-G59 PolarHBondContact O-N 3.2Å
58	W	61.8	Low	64.3	Low	60 Å²	60	89.4 Å²	89.4	23%	0.227	49%	0.489	C	S	.	.			trans	-69.4	92.3	158.4	-58.6	96.6	0	0	0	107.2	L20 E24 P26 F29 L53 L63	L20-W58 HydrophobicContact CD1-CH2 3.98Å; L20-W58 HydrophobicContact CD1-CZ3 3.9Å; L20-W58 HydrophobicContact CD2-CH2 3.66Å; L20-W58 HydrophobicContact CD2-CZ2 4.37Å; L20-W58 HydrophobicContact CD2-CZ3 3.79Å; L20-W58 HydrophobicContact CG-CH2 3.73Å; L20-W58 HydrophobicContact CG-CZ3 4.07Å; E24-W58 PolarHBondContact O-NE1 3.41Å; P26-W58 HydrophobicContact CB-CZ2 4.37Å; P26-W58 HydrophobicContact CG-CD2 3.93Å; P26-W58 HydrophobicContact CG-CG 3.99Å; P26-W58 HydrophobicContact CG-CZ2 4.33Å; F29-W58 HydrophobicContact CB-CH2 4.06Å; F29-W58 HydrophobicContact CB-CZ2 4.43Å; F29-W58 HydrophobicContact CD1-CH2 4.41Å; F29-W58 HydrophobicContact CG-CH2 4.26Å; L53-W58 HydrophobicContact CD1-CD2 4.32Å; L53-W58 HydrophobicContact CD1-CE3 3.6Å; L53-W58 HydrophobicContact CD1-CZ3 3.87Å; L53-W58 HydrophobicContact CD2-CZ3 4.12Å; W58-L63 HydrophobicContact CE3-CD1 4.27Å; W58-L63 HydrophobicContact CZ3-CD1 4.38Å
59	G	57.6	Low	64.5	Low	41 Å²	41	88.8 Å²	88.8	42%	0.423	49%	0.485	S	S	.	.			trans	-57.7	-167.1	175.7	0	0	0	0	0	112.9	E57 I61	E57-G59 VanDerWaalsContact C-N 3.3Å; E57-G59 PolarHBondContact O-N 3.2Å; G59-I61 PolarHBondContact O-N 2.88Å
60	N	54.6	Low	65.4	Low	175 Å²	175	83.2 Å²	83.2	94%	0.936	46%	0.464	S	S	*	.	S	Bend	trans	-70.9	46.2	-175.2	-142.1	1.1	0	0	0	114.3
61	I	61.4	Low	66.1	Low	42 Å²	42	79.1 Å²	79.1	22%	0.215	42%	0.421	C	S	.	.			trans	-91.1	112.3	-170.4	-56.7	171.5	0	0	0	108.2	V48 L53 G59 L63	V48-I61 HydrophobicContact CB-CG2 4.15Å; V48-I61 HydrophobicContact CG1-CG2 3.63Å; V48-I61 HydrophobicContact CG2-CD1 4.46Å; V48-I61 HydrophobicContact CG2-CG2 4.15Å; L53-I61 HydrophobicContact CD1-CD1 3.87Å; G59-I61 PolarHBondContact O-N 2.88Å; I61-L63 HydrophobicContact CG2-CD2 4.05Å; I61-L63 HydrophobicContact CG2-CG 4.06Å; I61-L63 PolarHBondContact O-N 2.86Å
62	K	60.5	Low	66.4	Low	187 Å²	187	82 Å²	82	81%	0.813	43%	0.427	S	S	*	.			trans	-76.4	89.3	174.5	-67.1	-176.7	-179.9	179.8	0	110.1
63	L	65.9	Low	66.5	Low	24 Å²	24	79.9 Å²	79.9	13%	0.126	42%	0.418	C	S	.	.			trans	-74.4	136.2	175.7	-66.9	163.7	0	0	0	110.7	F4 L20 T22 W58 I61 M67	F4-L63 HydrophobicContact CD1-CB 4.41Å; F4-L63 HydrophobicContact CD2-CB 4.3Å; F4-L63 HydrophobicContact CE1-CB 4.47Å; F4-L63 HydrophobicContact CE2-CB 4.33Å; F4-L63 HydrophobicContact CG-CB 4.33Å; F4-L63 HydrophobicContact CZ-CB 4.42Å; L20-L63 HydrophobicContact CD1-CD2 4.3Å; L20-L63 HydrophobicContact CD2-CD1 3.72Å; T22-L63 HydrophobicContact CG2-CD1 3.43Å; T22-L63 VanDerWaalsContact CG2-CD1 3.43Å; W58-L63 HydrophobicContact CE3-CD1 4.27Å; W58-L63 HydrophobicContact CZ3-CD1 4.38Å; I61-L63 HydrophobicContact CG2-CD2 4.05Å; I61-L63 HydrophobicContact CG2-CG 4.06Å; I61-L63 PolarHBondContact O-N 2.86Å; L63-M67 HydrophobicContact CD2-CE 3.63Å
64	K	68.9	Low	66.3	Low	155 Å²	155	83.7 Å²	83.7	67%	0.674	45%	0.447	S	S	*	.			trans	-130.8	146.6	173.3	-69.7	-174.2	178.4	-176.4	0	109.3	G66 M67	K64-G66 PolarHBondContact O-N 2.87Å; K64-M67 VanDerWaalsContact O-CB 3.3Å; K64-M67 WeakPolarHBondContact O-CB 3.38Å; K64-M67 PolarHBondContact O-N 3.25Å
65	N	67.7	Low	65.9	Low	107 Å²	107	79.4 Å²	79.4	57%	0.572	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	134.2	173.8	-72.3	-14.2	0	0	0	110.9	F4 T5	F4-N65 WeakPolarHBondContact CA-OD1 3.26Å; F4-N65 WeakPolarHBondContact CB-OD1 3.31Å; F4-N65 VanDerWaalsContact CD1-OD1 3.24Å; F4-N65 WeakPolarHBondContact CD1-OD1 3.46Å; T5-N65 PolarHBondContact N-OD1 3.15Å
66	G	66.5	Low	65.6	Low	44 Å²	44	83.5 Å²	83.5	45%	0.454	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.3	5.7	-177.3	0	0	0	0	0	115.4	T5 K64	T5-G66 PolarHBondContact O-N 3.08Å; K64-G66 PolarHBondContact O-N 2.87Å
67	M	74.1	Confident	65.3	Low	33 Å²	33	80.4 Å²	80.4	16%	0.163	45%	0.452	C	S	.	.	P	Polyproline II helix	trans	-69.9	138.7	-178.7	-170.9	171.4	67	0	0	111.9	V6 N7 V48 L63 K64 L69	V6-M67 WeakPolarHBondContact CA-O 3.46Å; N7-M67 PolarHBondContact N-O 3.46Å; V48-M67 HydrophobicContact CG1-CE 3.31Å; V48-M67 HydrophobicContact CG1-SD 4.07Å; L63-M67 HydrophobicContact CD2-CE 3.63Å; K64-M67 VanDerWaalsContact O-CB 3.3Å; K64-M67 WeakPolarHBondContact O-CB 3.38Å; K64-M67 PolarHBondContact O-N 3.25Å; M67-L69 HydrophobicContact CE-CD2 3.93Å
68	T	73.3	Confident	64.9	Low	67 Å²	67	80.8 Å²	80.8	41%	0.411	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	119.3	175.7	-47.1	0	0	0	0	111.4	N7 K9	N7-T68 HydrophobicContact CB-CG2 4.46Å; N7-T68 CarbonylContact O-C 3.55Å; N7-T68 WeakPolarHBondContact O-CA 3.47Å; K9-T68 HydrophobicContact CB-CG2 4.34Å
69	L	76	Confident	64.7	Low	2 Å²	2	83.5 Å²	83.5	1%	0.01	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	142.2	171.8	-61	172.2	0	0	0	109.2	V6 N7 V8 K9 L20 F29 V46 V48 M67	V6-L69 HydrophobicContact CB-CD1 3.95Å; V6-L69 HydrophobicContact CB-CG 4.38Å; V6-L69 HydrophobicContact CG1-CD1 4.38Å; V6-L69 HydrophobicContact CG2-CD1 3.61Å; N7-L69 PolarHBondContact O-N 2.79Å; V8-L69 CarbonylContact C-O 3.43Å; V8-L69 WeakPolarHBondContact CA-O 3.4Å; V8-L69 HydrophobicContact CG2-CB 4.17Å; V8-L69 HydrophobicContact CG2-CD1 4.18Å; K9-L69 PolarHBondContact N-O 3.15Å; L20-L69 HydrophobicContact CD1-CD1 4.14Å; F29-L69 HydrophobicContact CE1-CD1 3.9Å; F29-L69 HydrophobicContact CZ-CD1 3.74Å; V46-L69 HydrophobicContact CG1-CB 4.35Å; V48-L69 HydrophobicContact CB-CD2 3.98Å; V48-L69 HydrophobicContact CG1-CD2 3.98Å; V48-L69 HydrophobicContact CG2-CD2 3.34Å; M67-L69 HydrophobicContact CE-CD2 3.93Å
70	L	75.6	Confident	64.9	Low	78 Å²	78	90.6 Å²	90.6	41%	0.408	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	120	176.8	-168.6	133.8	0	0	0	109.1	K9 M47 M72	K9-L70 WeakPolarHBondContact O-CA 3.49Å; M47-L70 PolarHBondContact N-O 3.13Å; M47-L70 PolarHBondContact O-N 2.95Å; L70-M72 HydrophobicContact CD2-CG 3.64Å; L70-M72 HydrophobicContact CD2-SD 4.15Å
71	M	75	Confident	65	Low	2 Å²	2	90.8 Å²	90.8	1%	0.01	50%	0.5	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	132.4	177.2	-168.5	-83	-85.3	0	0	109.1	V8 K9 W10 T37 V39 Q44 V46	V8-M71 HydrophobicContact CG1-CB 3.93Å; K9-M71 PolarHBondContact O-N 3.3Å; W10-M71 HydrophobicContact CB-CB 4.4Å; W10-M71 HydrophobicContact CB-CE 3.91Å; W10-M71 HydrophobicContact CD2-CE 3.86Å; W10-M71 HydrophobicContact CG-CE 3.41Å; W10-M71 VanDerWaalsContact CG-CE 3.41Å; W10-M71 HydrophobicContact CG-SD 4.09Å; T37-M71 HydrophobicContact CG2-CE 3.49Å; T37-M71 VanDerWaalsContact CG2-CE 3.49Å; T37-M71 WeakPolarHBondContact OG1-CE 3.43Å; V39-M71 HydrophobicContact CB-CE 4.38Å; V39-M71 HydrophobicContact CG2-CE 4.18Å; Q44-M71 HydrophobicContact CG-SD 4.34Å; V46-M71 HydrophobicContact CG2-CG 4.15Å
72	M	69.4	Low	64.4	Low	93 Å²	93	94.4 Å²	94.4	46%	0.458	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	134.2	171.1	-63.3	-170.2	-60.3	0	0	109.7	K45 M47 L70	K45-M72 PolarHBondContact N-O 3.31Å; K45-M72 PolarHBondContact O-N 3.26Å; M47-M72 HydrophobicContact SD-CE 3.65Å; L70-M72 HydrophobicContact CD2-CG 3.64Å; L70-M72 HydrophobicContact CD2-SD 4.15Å
73	G	68.9	Low	64.3	Low	22 Å²	22	90.5 Å²	90.5	23%	0.227	53%	0.529	C	S	.	.			trans	171.8	145.4	175.5	0	0	0	0	0	109.6	W10	W10-G73 PolarHBondContact NE1-O 3.44Å
74	S	65.3	Low	64	Low	95 Å²	95	94.8 Å²	94.8	66%	0.664	56%	0.556	S	S	*	*			trans	-99.2	135.2	177.8	-65.4	0	0	0	0	109.7	E76	S74-E76 VanDerWaalsContact C-N 3.33Å
75	A	57.8	Low	63.4	Low	65 Å²	65	98 Å²	98	54%	0.537	56%	0.564	S	S	.	*			trans	-79.6	-13.8	178.3	0	0	0	0	0	113.3	V39	V39-A75 HydrophobicContact CG2-CB 4.35Å
76	E	55.7	Low	62.8	Low	167 Å²	167	97.9 Å²	97.9	78%	0.78	57%	0.569	S	S	*	*	S	Bend	trans	-82.8	132.1	-179	-69.7	179	164.9	0	0	111.7	S74 L78	S74-E76 VanDerWaalsContact C-N 3.33Å; E76-L78 PolarHBondContact O-N 2.95Å
77	A	51.8	Low	62.1	Low	85 Å²	85	102.6 Å²	102.6	70%	0.702	58%	0.581	S	S	*	*	P	Polyproline II helix	trans	-71.9	118.3	171.6	0	0	0	0	0	109.4
78	L	55.2	Low	61.2	Low	152 Å²	152	107.3 Å²	107.3	80%	0.796	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-63.1	138.3	167.1	-78.5	160.3	0	0	0	109	E76 E80	E76-L78 PolarHBondContact O-N 2.95Å; L78-E80 PolarHBondContact O-N 3.01Å
79	P	57.4	Low	60.3	Low	117 Å²	117	108.7 Å²	108.7	76%	0.76	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-59.7	133.6	175.6	23.1	-30.6	0	0	0	109.8	E81	P79-E81 PolarHBondContact O-N 3.44Å
80	E	61.9	Low	59.5	Low	190 Å²	190	116.8 Å²	116.8	89%	0.888	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-56.8	132.1	176.5	-70.6	-178	156	0	0	109.9	L78	L78-E80 PolarHBondContact O-N 3.01Å
81	E	55.8	Low	58.4	Low	180 Å²	180	119.2 Å²	119.2	84%	0.841	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-57.2	133.7	172.1	-66.6	-178.9	171.8	0	0	108.9	P79 A83	P79-E81 PolarHBondContact O-N 3.44Å; E81-A83 PolarHBondContact O-N 3.48Å; E81-A83 VanDerWaalsContact O-N 3.14Å
82	P	49.3	Very low	57.4	Low	117 Å²	117	121.8 Å²	121.8	76%	0.76	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-59.2	123.5	179.2	21.6	-30.3	0	0	0	109.7	V84	P82-V84 PolarHBondContact O-N 2.77Å
83	A	58.9	Low	57.3	Low	106 Å²	106	121 Å²	121	88%	0.876	67%	0.673	S	S	*	*	S	Bend	trans	-63.2	-2.7	-174.9	0	0	0	0	0	115	E81	E81-A83 PolarHBondContact O-N 3.48Å; E81-A83 VanDerWaalsContact O-N 3.14Å
84	V	60.3	Low	56.8	Low	113 Å²	113	127.7 Å²	127.7	69%	0.685	70%	0.699	S	S	*	*			trans	-107.7	101.8	-176.7	-166.7	0	0	0	0	108.7	P82	P82-V84 PolarHBondContact O-N 2.77Å
85	R	55.7	Low	56.5	Low	222 Å²	222	130.2 Å²	130.2	84%	0.838	70%	0.7	S	S	*	*			trans	-56.8	134	166	-66.1	-179.7	-172.7	172.4	2.7	108	M87	R85-M87 PolarHBondContact O-N 2.87Å
86	P	55.6	Low	56.5	Low	106 Å²	106	131.8 Å²	131.8	69%	0.688	70%	0.696	S	S	*	*			trans	-59.8	112	172.6	23.6	-30.7	0	0	0	108.5
87	M	51.3	Low	56.6	Low	142 Å²	142	126.3 Å²	126.3	70%	0.7	67%	0.672	S	S	*	*			trans	-78.1	127.1	172.5	-76.2	-176.5	-71.8	0	0	108.3	R85	R85-M87 PolarHBondContact O-N 2.87Å
88	F	54	Low	56.8	Low	132 Å²	132	123.1 Å²	123.1	58%	0.579	65%	0.646	S	S	*	*			trans	-79.3	147.4	175.3	-66.8	-87	0	0	0	109.6	E90 D91	F88-E90 PolarHBondContact O-N 2.9Å; F88-E90 VanDerWaalsContact O-N 3.08Å; F88-D91 PolarHBondContact O-N 2.97Å
89	V	56.1	Low	56.9	Low	96 Å²	96	119.5 Å²	119.5	58%	0.582	63%	0.633	S	S	*	*	G	3₁₀ helix	trans	-57.2	-26.1	-178.4	-178.6	0	0	0	0	111.8	D91 L97	V89-D91 VanDerWaalsContact C-N 3.32Å; V89-D91 PolarHBondContact O-N 3.31Å; V89-L97 HydrophobicContact CG1-CD1 3.63Å
90	E	57.8	Low	56.8	Low	172 Å²	172	117.4 Å²	117.4	80%	0.804	63%	0.625	S	S	*	*	G	3₁₀ helix	trans	-73.8	-17.2	-179.8	-65	134.8	164.1	0	0	114	F88	F88-E90 PolarHBondContact O-N 2.9Å; F88-E90 VanDerWaalsContact O-N 3.08Å
91	D	53.9	Low	56.6	Low	130 Å²	130	113.5 Å²	113.5	70%	0.695	61%	0.609	S	S	*	*	G	3₁₀ helix	trans	-100.9	1.3	-179.3	-66.5	-36.4	0	0	0	113.2	F88 V89	F88-D91 PolarHBondContact O-N 2.97Å; V89-D91 VanDerWaalsContact C-N 3.32Å; V89-D91 PolarHBondContact O-N 3.31Å
92	M	53.4	Low	57	Low	55 Å²	55	111.7 Å²	111.7	27%	0.271	60%	0.6	S	S	.	*	S	Bend	trans	-83.3	143.3	-178.7	-63.8	-175.1	70.6	0	0	111.5	Q96 A100	M92-Q96 HydrophobicContact CB-CB 4.28Å; M92-Q96 HydrophobicContact CE-CB 3.57Å; M92-Q96 WeakPolarHBondContact CE-O 3.34Å; M92-A100 HydrophobicContact CE-CB 3.98Å
93	T	66.1	Low	58.2	Low	76 Å²	76	106.8 Å²	106.8	47%	0.466	57%	0.567	S	S	.	*			trans	-66.5	153.6	168.4	62	0	0	0	0	110.3	E95 Q96 L97	T93-E95 PolarHBondContact O-N 3.46Å; T93-E95 VanDerWaalsContact O-N 3.08Å; T93-Q96 PolarHBondContact O-N 3.1Å; T93-Q96 WeakPolarHBondContact OG1-CG 3.45Å; T93-Q96 PolarHBondContact OG1-N 2.94Å; T93-L97 PolarHBondContact O-N 3.19Å
94	E	59.9	Low	59.3	Low	163 Å²	163	103.2 Å²	103.2	76%	0.762	54%	0.536	S	S	*	.	H	α-helix	trans	-52.9	-33.8	178.7	-68.2	-176.8	169.9	0	0	112.3	L97 A98	E94-L97 PolarHBondContact O-N 3.16Å; E94-A98 VanDerWaalsContact O-CB 3.31Å; E94-A98 WeakPolarHBondContact O-CB 3.34Å; E94-A98 PolarHBondContact O-N 2.82Å
95	E	59.2	Low	60.6	Low	148 Å²	148	97.9 Å²	97.9	69%	0.692	50%	0.503	S	S	*	.	H	α-helix	trans	-69.7	-41.6	176.6	-62.3	-179.4	170.2	0	0	113.1	T93 L97 A98 S99	T93-E95 PolarHBondContact O-N 3.46Å; T93-E95 VanDerWaalsContact O-N 3.08Å; E95-L97 VanDerWaalsContact C-N 3.32Å; E95-A98 PolarHBondContact O-N 2.76Å; E95-S99 WeakPolarHBondContact O-CB 3.12Å; E95-S99 PolarHBondContact O-N 3.25Å
96	Q	57.8	Low	62.3	Low	98 Å²	98	87.4 Å²	87.4	46%	0.458	46%	0.464	S	S	.	.	H	α-helix	trans	-69.6	-34.8	176.1	-70.7	176.9	-22.9	0	0	110.9	M92 T93 S99 A100	M92-Q96 HydrophobicContact CB-CB 4.28Å; M92-Q96 HydrophobicContact CE-CB 3.57Å; M92-Q96 WeakPolarHBondContact CE-O 3.34Å; T93-Q96 PolarHBondContact O-N 3.1Å; T93-Q96 WeakPolarHBondContact OG1-CG 3.45Å; T93-Q96 PolarHBondContact OG1-N 2.94Å; Q96-S99 PolarHBondContact O-N 3.03Å; Q96-A100 WeakPolarHBondContact O-CB 3.49Å; Q96-A100 PolarHBondContact O-N 2.91Å
97	L	57	Low	64.1	Low	53 Å²	53	82.4 Å²	82.4	28%	0.277	43%	0.432	S	S	.	.	H	α-helix	trans	-68.2	-41.9	175.1	-160.5	128.4	0	0	0	111.1	V89 T93 E94 E95 A100 M101	V89-L97 HydrophobicContact CG1-CD1 3.63Å; T93-L97 PolarHBondContact O-N 3.19Å; E94-L97 PolarHBondContact O-N 3.16Å; E95-L97 VanDerWaalsContact C-N 3.32Å; L97-A100 PolarHBondContact O-N 3.46Å; L97-M101 HydrophobicContact CD2-SD 3.58Å; L97-M101 VanDerWaalsContact CD2-SD 3.58Å; L97-M101 HydrophobicContact CG-SD 4.2Å; L97-M101 WeakPolarHBondContact O-CB 3.33Å; L97-M101 VanDerWaalsContact O-CG 3.31Å; L97-M101 WeakPolarHBondContact O-CG 3.43Å; L97-M101 PolarHBondContact O-N 3.04Å
98	A	56.2	Low	66.1	Low	17 Å²	17	77.7 Å²	77.7	14%	0.14	41%	0.411	C	S	.	.	H	α-helix	trans	-63.2	-40.3	172.9	0	0	0	0	0	112.6	E94 E95 E102 L103	E94-A98 VanDerWaalsContact O-CB 3.31Å; E94-A98 WeakPolarHBondContact O-CB 3.34Å; E94-A98 PolarHBondContact O-N 2.82Å; E95-A98 PolarHBondContact O-N 2.76Å; A98-E102 CarbonylContact O-C 3.43Å; A98-E102 WeakPolarHBondContact O-CA 3.19Å; A98-E102 PolarHBondContact O-N 2.86Å; A98-L103 HydrophobicContact CB-CB 4.07Å; A98-L103 HydrophobicContact CB-CD1 4.1Å; A98-L103 HydrophobicContact CB-CG 4.42Å; A98-L103 PolarHBondContact O-N 2.85Å
99	S	56.4	Low	68	Low	77 Å²	77	73.9 Å²	73.9	54%	0.538	40%	0.397	S	S	.	.	H	α-helix	trans	-70	-37.8	175.3	-176	0	0	0	0	112.5	E95 Q96 E102	E95-S99 WeakPolarHBondContact O-CB 3.12Å; E95-S99 PolarHBondContact O-N 3.25Å; Q96-S99 PolarHBondContact O-N 3.03Å; S99-E102 PolarHBondContact O-N 3.24Å
100	A	55.3	Low	69.6	Low	72 Å²	72	72 Å²	72	60%	0.595	38%	0.383	S	S	*	.	H	α-helix	trans	-72.7	-29.2	177.4	0	0	0	0	0	112.9	M92 Q96 L97	M92-A100 HydrophobicContact CE-CB 3.98Å; Q96-A100 WeakPolarHBondContact O-CB 3.49Å; Q96-A100 PolarHBondContact O-N 2.91Å; L97-A100 PolarHBondContact O-N 3.46Å
101	M	57.9	Low	70.9	Confident	108 Å²	108	65 Å²	65	53%	0.532	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	4.9	176.1	-67.1	-173.1	130.5	0	0	113.6	L97 L103	L97-M101 HydrophobicContact CD2-SD 3.58Å; L97-M101 VanDerWaalsContact CD2-SD 3.58Å; L97-M101 HydrophobicContact CG-SD 4.2Å; L97-M101 WeakPolarHBondContact O-CB 3.33Å; L97-M101 VanDerWaalsContact O-CG 3.31Å; L97-M101 WeakPolarHBondContact O-CG 3.43Å; L97-M101 PolarHBondContact O-N 3.04Å; M101-L103 HydrophobicContact CB-CD1 4.44Å; M101-L103 HydrophobicContact CB-CD2 4.15Å; M101-L103 HydrophobicContact CB-CG 3.87Å; M101-L103 PolarHBondContact O-N 3.21Å; M101-L103 VanDerWaalsContact O-N 3.17Å
102	E	65.8	Low	72.6	Confident	142 Å²	142	61.4 Å²	61.4	66%	0.664	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.2	43.6	-174.8	-58.5	-177.8	167.6	0	0	112.5	A98 S99 R441	A98-E102 CarbonylContact O-C 3.43Å; A98-E102 WeakPolarHBondContact O-CA 3.19Å; A98-E102 PolarHBondContact O-N 2.86Å; S99-E102 PolarHBondContact O-N 3.24Å; E102-R441 VanDerWaalsContact O-CZ 3.25Å; E102-R441 PolarHBondContact O-NH1 3.14Å; E102-R441 PolarHBondContact O-NH2 2.89Å
103	L	74	Confident	74.5	Confident	14 Å²	14	58.9 Å²	58.9	7%	0.073	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-69.4	143.4	-178.8	-64.4	179	0	0	0	110.6	A98 M101 V454 V456	A98-L103 HydrophobicContact CB-CB 4.07Å; A98-L103 HydrophobicContact CB-CD1 4.1Å; A98-L103 HydrophobicContact CB-CG 4.42Å; A98-L103 PolarHBondContact O-N 2.85Å; M101-L103 HydrophobicContact CB-CD1 4.44Å; M101-L103 HydrophobicContact CB-CD2 4.15Å; M101-L103 HydrophobicContact CB-CG 3.87Å; M101-L103 PolarHBondContact O-N 3.21Å; M101-L103 VanDerWaalsContact O-N 3.17Å; L103-V454 HydrophobicContact CB-CG1 4.41Å; L103-V456 HydrophobicContact CD2-CG2 3.52Å
104	P	81.3	Confident	75.8	Confident	32 Å²	32	55.4 Å²	55.4	21%	0.208	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-70	150.2	177.6	28.1	-33.7	0	0	0	112	G106 V447 F449 V454	P104-G106 PolarHBondContact O-N 3.37Å; P104-V447 HydrophobicContact CG-CB 4.48Å; P104-V447 HydrophobicContact CG-CG1 3.81Å; P104-V447 HydrophobicContact CG-CG2 4.34Å; P104-F449 HydrophobicContact CB-CE1 3.93Å; P104-F449 HydrophobicContact CB-CZ 3.85Å; P104-F449 HydrophobicContact CG-CE1 3.63Å; P104-F449 HydrophobicContact CG-CE2 4.49Å; P104-F449 HydrophobicContact CG-CZ 3.38Å; P104-V454 HydrophobicContact CG-CG1 4.09Å
105	C	87.6	Confident	77.5	Confident	1 Å²	1	47.8 Å²	47.8	1%	0.007	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-52.4	126.7	177.1	-177.4	0	0	0	0	114.1	Q121 M163 T166 S168	C105-Q121 PolarHBondContact O-NE2 3.03Å; C105-M163 HydrophobicContact CB-CB 4.11Å; C105-M163 HydrophobicContact CB-CE 4.34Å; C105-M163 HydrophobicContact CB-CG 4.39Å; C105-T166 WeakPolarHBondContact CB-O 3.32Å; C105-S168 PolarHBondContact SG-O 3.36Å
106	G	90.9	Very high	79.2	Confident	2 Å²	2	40.8 Å²	40.8	2%	0.021	24%	0.235	C	C	.	.			trans	-81.4	175.4	167.7	0	0	0	0	0	113.3	P104 S169 L170 D451	P104-G106 PolarHBondContact O-N 3.37Å; G106-S169 WeakPolarHBondContact O-CA 3.29Å; G106-L170 PolarHBondContact O-N 2.7Å; G106-D451 WeakPolarHBondContact CA-O 3.35Å
107	L	93.8	Very high	81	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.005	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-127.8	122.9	177.7	-70.4	174.5	0	0	0	111.3	N109 N117 V120 Q121 L159 M163 L170 P172 D451 D452	L107-N109 PolarHBondContact O-N 2.83Å; L107-N117 HydrophobicContact CB-CB 4.06Å; L107-N117 HydrophobicContact CD1-CB 4.1Å; L107-N117 PolarHBondContact O-ND2 2.87Å; L107-V120 HydrophobicContact CD1-CB 4.24Å; L107-V120 HydrophobicContact CD1-CG1 4.02Å; L107-Q121 HydrophobicContact CD1-CG 4.08Å; L107-L159 HydrophobicContact CD2-CD1 4.27Å; L107-M163 HydrophobicContact CD1-CE 4.34Å; L107-M163 HydrophobicContact CD2-CE 3.92Å; L107-M163 HydrophobicContact CD2-SD 4.03Å; L107-M163 HydrophobicContact CG-CE 4Å; L107-L170 VanDerWaalsContact CA-O 3.3Å; L107-L170 WeakPolarHBondContact CA-O 3.48Å; L107-L170 HydrophobicContact CD2-CB 4.38Å; L107-L170 WeakPolarHBondContact CD2-O 3.2Å; L107-P172 HydrophobicContact CD2-CB 4.41Å; L107-P172 HydrophobicContact CD2-CG 4.44Å; L107-D451 PolarHBondContact N-O 2.67Å; L107-D451 CarbonylContact O-C 3.48Å; L107-D451 WeakPolarHBondContact O-CA 3.23Å; L107-D451 WeakPolarHBondContact O-CB 3.46Å; L107-D452 PolarHBondContact O-N 2.86Å; L107-D452 VanDerWaalsContact O-N 3.12Å
108	T	93.8	Very high	82.8	Confident	42 Å²	42	33.9 Å²	33.9	26%	0.258	20%	0.202	S	C	.	.			trans	-65.6	134.5	-179.3	-42.3	0	0	0	0	111.1	N117 L170	T108-N117 PolarHBondContact O-ND2 3.32Å; T108-L170 PolarHBondContact N-O 3.05Å
109	N	92.9	Very high	84.7	Confident	53 Å²	53	33.1 Å²	33.1	28%	0.283	20%	0.196	S	C	.	.			trans	-72.2	130.9	173.6	-163.8	-36.1	0	0	0	110.6	L107 G111 N112 T113 D451	L107-N109 PolarHBondContact O-N 2.83Å; N109-G111 PolarHBondContact OD1-N 3.28Å; N109-N112 PolarHBondContact OD1-N 3.43Å; N109-T113 PolarHBondContact OD1-N 3.23Å; N109-T113 PolarHBondContact OD1-OG1 3.5Å; N109-D451 HydrophobicContact CB-CB 4.15Å; N109-D451 WeakPolarHBondContact CB-OD2 3.5Å; N109-D451 PolarHBondContact ND2-OD2 3.49Å
110	L	89.8	Confident	86.5	Confident	57 Å²	57	29.5 Å²	29.5	30%	0.298	17%	0.17	S	C	.	.			trans	-109	26	-179	-63.1	175.2	0	0	0	112.3	T113 P171 P172 I173 L176	L110-T113 HydrophobicContact CB-CG2 4.02Å; L110-T113 PolarHBondContact N-OG1 3.45Å; L110-P171 HydrophobicContact CD2-CB 4.24Å; L110-P172 HydrophobicContact CD1-CG 4.43Å; L110-I173 HydrophobicContact CD1-CB 4.39Å; L110-I173 HydrophobicContact CD1-CG1 3.75Å; L110-I173 HydrophobicContact CD2-CG1 4.38Å; L110-L176 HydrophobicContact CB-CD2 3.89Å; L110-L176 HydrophobicContact CD1-CD2 3.83Å
111	G	86.6	Confident	88.4	Confident	23 Å²	23	26.3 Å²	26.3	24%	0.237	14%	0.143	C	C	.	.	S	Bend	trans	96.4	97.6	-179.8	0	0	0	0	0	111.6	N109 T113	N109-G111 PolarHBondContact OD1-N 3.28Å; G111-T113 WeakPolarHBondContact O-CG2 3.36Å; G111-T113 PolarHBondContact O-N 2.91Å
112	N	89.6	Confident	90.1	Very high	55 Å²	55	21.2 Å²	21.2	29%	0.294	12%	0.118	S	C	.	.	S	Bend	trans	55.9	25.5	-177.5	-59.9	-31.1	0	0	0	114.2	N109 Y115 Q194 Y195 Q197	N109-N112 PolarHBondContact OD1-N 3.43Å; N112-Y115 WeakPolarHBondContact O-CD1 3.48Å; N112-Y115 WeakPolarHBondContact O-CE1 3.47Å; N112-Q194 PolarHBondContact ND2-NE2 3.33Å; N112-Y195 PolarHBondContact ND2-O 3.37Å; N112-Q197 HydrophobicContact CB-CB 4.01Å
113	T	92.8	Very high	91.5	Very high	2 Å²	2	14.5 Å²	14.5	1%	0.012	9%	0.087	C	C	.	.			trans	-95.9	9.2	-178.3	66.4	0	0	0	0	113.7	N109 L110 G111 Y115 M116 N117 L176	N109-T113 PolarHBondContact OD1-N 3.23Å; N109-T113 PolarHBondContact OD1-OG1 3.5Å; L110-T113 HydrophobicContact CB-CG2 4.02Å; L110-T113 PolarHBondContact N-OG1 3.45Å; G111-T113 WeakPolarHBondContact O-CG2 3.36Å; G111-T113 PolarHBondContact O-N 2.91Å; T113-Y115 PolarHBondContact O-N 3.19Å; T113-M116 WeakPolarHBondContact O-CB 3.33Å; T113-M116 PolarHBondContact O-N 3.35Å; T113-N117 PolarHBondContact O-N 3.3Å; T113-N117 VanDerWaalsContact O-N 3.12Å; T113-L176 HydrophobicContact CG2-CD1 3.83Å; T113-L176 HydrophobicContact CG2-CD2 3.84Å
114	C	93.8	Very high	92.4	Very high	3 Å²	3	15.1 Å²	15.1	2%	0.02	9%	0.088	C	C	.	.	H	α-helix	trans	-59.5	-28.3	-179.9	57	0	0	0	0	112.8	M116 N117 A118 H434 Y435 D451	C114-M116 VanDerWaalsContact C-N 3.33Å; C114-M116 PolarHBondContact O-N 3.01Å; C114-N117 PolarHBondContact O-N 2.78Å; C114-A118 WeakPolarHBondContact O-CB 3.23Å; C114-A118 PolarHBondContact O-N 2.79Å; C114-H434 PolarHBondContact SG-ND1 3.34Å; C114-H434 VanDerWaalsContact SG-ND1 3.37Å; C114-Y435 PolarHBondContact SG-N 3.11Å; C114-D451 WeakPolarHBondContact CA-OD1 3.41Å; C114-D451 WeakPolarHBondContact CB-OD1 3.19Å
115	Y	94.4	Very high	92.8	Very high	3 Å²	3	14.3 Å²	14.3	1%	0.012	8%	0.084	C	C	.	.	H	α-helix	trans	-59.7	-42.6	173.2	72.6	-91.7	0	0	0	111.9	N112 T113 T119 Q198 C203 Y435	N112-Y115 WeakPolarHBondContact O-CD1 3.48Å; N112-Y115 WeakPolarHBondContact O-CE1 3.47Å; T113-Y115 PolarHBondContact O-N 3.19Å; Y115-T119 WeakPolarHBondContact O-CB 3.4Å; Y115-T119 PolarHBondContact O-N 2.88Å; Y115-T119 PolarHBondContact O-OG1 2.73Å; Y115-T119 VanDerWaalsContact O-OG1 3.09Å; Y115-Q198 HydrophobicContact CD1-CB 4.23Å; Y115-Q198 HydrophobicContact CD2-CB 4.34Å; Y115-Q198 HydrophobicContact CE1-CB 3.93Å; Y115-Q198 HydrophobicContact CE1-CG 4.3Å; Y115-Q198 HydrophobicContact CE2-CB 4.07Å; Y115-Q198 HydrophobicContact CG-CB 4.43Å; Y115-C203 HydrophobicContact CD2-CB 3.78Å; Y115-C203 HydrophobicContact CE2-CB 3.98Å; Y115-Y435 VanDerWaalsContact CB-CD2 3.48Å
116	M	95.2	Very high	93	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.005	8%	0.083	C	C	.	.	H	α-helix	trans	-71.5	-44.8	178	-175.8	-171	68.4	0	0	110	T113 C114 A118 T119 V120 P172 L175 L176 L179	T113-M116 WeakPolarHBondContact O-CB 3.33Å; T113-M116 PolarHBondContact O-N 3.35Å; C114-M116 VanDerWaalsContact C-N 3.33Å; C114-M116 PolarHBondContact O-N 3.01Å; M116-A118 PolarHBondContact O-N 2.93Å; M116-T119 PolarHBondContact O-N 2.81Å; M116-V120 HydrophobicContact CG-CG2 4.12Å; M116-V120 WeakPolarHBondContact O-CB 3.41Å; M116-V120 WeakPolarHBondContact O-CG2 3.44Å; M116-V120 PolarHBondContact O-N 2.68Å; M116-P172 HydrophobicContact CE-CB 3.85Å; M116-P172 HydrophobicContact CE-CG 3.44Å; M116-P172 VanDerWaalsContact CE-CG 3.44Å; M116-L175 HydrophobicContact SD-CD2 4.31Å; M116-L175 HydrophobicContact SD-CG 4.27Å; M116-L176 HydrophobicContact CE-CB 4.04Å; M116-L176 HydrophobicContact CE-CD1 4.1Å; M116-L176 HydrophobicContact SD-CB 4.24Å; M116-L176 HydrophobicContact SD-CD1 3.95Å; M116-L179 HydrophobicContact CG-CD2 4.32Å; M116-L179 HydrophobicContact SD-CD2 4.02Å
117	N	95.1	Very high	92.9	Very high	4 Å²	4	16.9 Å²	16.9	2%	0.021	10%	0.1	C	C	.	.	H	α-helix	trans	-57.8	-48.4	179.2	-67.5	-12	0	0	0	111.3	L107 T108 T113 C114 V120 Q121 P172 D451	L107-N117 HydrophobicContact CB-CB 4.06Å; L107-N117 HydrophobicContact CD1-CB 4.1Å; L107-N117 PolarHBondContact O-ND2 2.87Å; T108-N117 PolarHBondContact O-ND2 3.32Å; T113-N117 PolarHBondContact O-N 3.3Å; T113-N117 VanDerWaalsContact O-N 3.12Å; C114-N117 PolarHBondContact O-N 2.78Å; N117-V120 PolarHBondContact O-N 2.93Å; N117-Q121 WeakPolarHBondContact O-CB 3.43Å; N117-Q121 WeakPolarHBondContact O-CG 3.26Å; N117-Q121 PolarHBondContact O-N 2.8Å; N117-P172 WeakPolarHBondContact OD1-CG 3.49Å; N117-D451 PolarHBondContact ND2-OD1 2.9Å
118	A	95.8	Very high	92.7	Very high	3 Å²	3	18.1 Å²	18.1	3%	0.025	11%	0.105	C	C	.	.	H	α-helix	trans	-62.1	-44.9	178.3	0	0	0	0	0	112.2	C114 M116 Q121 C122 L423	C114-A118 WeakPolarHBondContact O-CB 3.23Å; C114-A118 PolarHBondContact O-N 2.79Å; M116-A118 PolarHBondContact O-N 2.93Å; A118-Q121 PolarHBondContact O-N 2.83Å; A118-C122 WeakPolarHBondContact O-CB 3.43Å; A118-C122 PolarHBondContact O-N 3.31Å; A118-C122 PolarHBondContact O-SG 3.07Å; A118-L423 HydrophobicContact CB-CD1 4.19Å; A118-L423 HydrophobicContact CB-CG 4.09Å
119	T	95.9	Very high	92.6	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-60.8	-48.2	176.6	-70.6	0	0	0	0	111.7	Y115 M116 Q121 C122 L123 A200 W204 M207 L423	Y115-T119 WeakPolarHBondContact O-CB 3.4Å; Y115-T119 PolarHBondContact O-N 2.88Å; Y115-T119 PolarHBondContact O-OG1 2.73Å; Y115-T119 VanDerWaalsContact O-OG1 3.09Å; M116-T119 PolarHBondContact O-N 2.81Å; T119-Q121 VanDerWaalsContact C-N 3.34Å; T119-Q121 PolarHBondContact O-N 3.16Å; T119-C122 PolarHBondContact O-N 3.1Å; T119-L123 HydrophobicContact CG2-CD1 4.1Å; T119-L123 WeakPolarHBondContact O-CG 3.36Å; T119-L123 PolarHBondContact O-N 3.05Å; T119-A200 PolarHBondContact OG1-O 2.76Å; T119-A200 VanDerWaalsContact OG1-O 3.11Å; T119-W204 HydrophobicContact CG2-CB 4.01Å; T119-W204 HydrophobicContact CG2-CD2 4.49Å; T119-W204 HydrophobicContact CG2-CE3 3.88Å; T119-M207 HydrophobicContact CG2-SD 3.58Å; T119-M207 VanDerWaalsContact CG2-SD 3.58Å; T119-L423 WeakPolarHBondContact OG1-CD1 3.31Å
120	V	95.3	Very high	92.4	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.006	9%	0.089	C	C	.	.	H	α-helix	trans	-62	-41.1	-179.9	170.5	0	0	0	0	111.3	L107 M116 N117 R124 L156 L159 Y160 L175 M207	L107-V120 HydrophobicContact CD1-CB 4.24Å; L107-V120 HydrophobicContact CD1-CG1 4.02Å; M116-V120 HydrophobicContact CG-CG2 4.12Å; M116-V120 WeakPolarHBondContact O-CB 3.41Å; M116-V120 WeakPolarHBondContact O-CG2 3.44Å; M116-V120 PolarHBondContact O-N 2.68Å; N117-V120 PolarHBondContact O-N 2.93Å; V120-R124 WeakPolarHBondContact O-CB 3.37Å; V120-R124 PolarHBondContact O-N 2.87Å; V120-L156 HydrophobicContact CG1-CD1 4.09Å; V120-L156 HydrophobicContact CG2-CD1 4.38Å; V120-L159 HydrophobicContact CG1-CD2 3.96Å; V120-Y160 HydrophobicContact CG1-CE1 3.65Å; V120-Y160 PolarHBondContact O-OH 2.79Å; V120-L175 HydrophobicContact CG2-CD2 3.71Å; V120-M207 HydrophobicContact CG2-CE 3.86Å; V120-M207 HydrophobicContact CG2-SD 4.16Å
121	Q	93.8	Very high	92.4	Very high	5 Å²	5	16 Å²	16	2%	0.023	9%	0.093	C	C	.	.	H	α-helix	trans	-69.9	-39.3	177.4	-67	-74.9	17.6	0	0	112.3	C105 L107 N117 A118 T119 L123 R124 S125 F449	C105-Q121 PolarHBondContact O-NE2 3.03Å; L107-Q121 HydrophobicContact CD1-CG 4.08Å; N117-Q121 WeakPolarHBondContact O-CB 3.43Å; N117-Q121 WeakPolarHBondContact O-CG 3.26Å; N117-Q121 PolarHBondContact O-N 2.8Å; A118-Q121 PolarHBondContact O-N 2.83Å; T119-Q121 VanDerWaalsContact C-N 3.34Å; T119-Q121 PolarHBondContact O-N 3.16Å; Q121-L123 PolarHBondContact O-N 2.94Å; Q121-R124 WeakPolarHBondContact O-CB 3.43Å; Q121-R124 PolarHBondContact O-N 3.24Å; Q121-S125 PolarHBondContact O-N 3.29Å; Q121-F449 HydrophobicContact CB-CB 4.39Å; Q121-F449 HydrophobicContact CB-CD2 4.36Å; Q121-F449 HydrophobicContact CB-CG 4.25Å; Q121-F449 HydrophobicContact CG-CB 4.13Å; Q121-F449 HydrophobicContact CG-CD1 4.18Å; Q121-F449 HydrophobicContact CG-CG 4.08Å
122	C	94.8	Very high	92.5	Very high	2 Å²	2	15.4 Å²	15.4	1%	0.014	9%	0.086	C	C	.	.	H	α-helix	trans	-63.9	-41.2	176	-70.5	0	0	0	0	111.4	A118 T119 R124 S125 W204 A421	A118-C122 WeakPolarHBondContact O-CB 3.43Å; A118-C122 PolarHBondContact O-N 3.31Å; A118-C122 PolarHBondContact O-SG 3.07Å; T119-C122 PolarHBondContact O-N 3.1Å; C122-R124 VanDerWaalsContact C-N 3.31Å; C122-R124 PolarHBondContact O-N 2.84Å; C122-S125 VanDerWaalsContact O-CB 3.31Å; C122-S125 WeakPolarHBondContact O-CB 3.33Å; C122-S125 PolarHBondContact O-N 3.11Å; C122-S125 PolarHBondContact O-OG 2.96Å; C122-W204 HydrophobicContact CB-CH2 4.33Å; C122-W204 HydrophobicContact CB-CZ3 3.61Å; C122-A421 HydrophobicContact CB-CB 4.16Å
123	L	94.1	Very high	92.5	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-67.1	-32.1	173.8	-69.8	171.9	0	0	0	113.1	T119 Q121 S125 V126 L129 Y160 W204 M207 M208	T119-L123 HydrophobicContact CG2-CD1 4.1Å; T119-L123 WeakPolarHBondContact O-CG 3.36Å; T119-L123 PolarHBondContact O-N 3.05Å; Q121-L123 PolarHBondContact O-N 2.94Å; L123-S125 PolarHBondContact O-N 2.76Å; L123-S125 VanDerWaalsContact O-N 3.17Å; L123-V126 PolarHBondContact O-N 2.72Å; L123-V126 VanDerWaalsContact O-N 3.13Å; L123-L129 HydrophobicContact CB-CD2 4.17Å; L123-L129 HydrophobicContact CD2-CD2 4.28Å; L123-Y160 WeakPolarHBondContact CB-OH 3.28Å; L123-W204 HydrophobicContact CD2-CD2 4.34Å; L123-W204 HydrophobicContact CD2-CE3 4.15Å; L123-W204 HydrophobicContact CD2-CH2 3.29Å; L123-W204 HydrophobicContact CD2-CZ2 3.53Å; L123-W204 HydrophobicContact CD2-CZ3 3.62Å; L123-W204 HydrophobicContact CG-CE3 4.07Å; L123-W204 HydrophobicContact CG-CH2 3.86Å; L123-W204 HydrophobicContact CG-CZ2 4.45Å; L123-W204 HydrophobicContact CG-CZ3 3.64Å; L123-M207 HydrophobicContact CD1-CB 4.32Å; L123-M207 HydrophobicContact CD1-CE 3.78Å; L123-M207 HydrophobicContact CD1-SD 4.1Å; L123-M208 HydrophobicContact CD1-CE 3.31Å; L123-M208 HydrophobicContact CD2-CE 3.17Å; L123-M208 HydrophobicContact CD2-SD 3.89Å; L123-M208 HydrophobicContact CG-CE 3.84Å
124	R	92.4	Very high	92.3	Very high	27 Å²	27	18.4 Å²	18.4	10%	0.102	10%	0.096	C	C	.	.	H	α-helix	trans	-62.4	-22.3	176.4	-168.7	179.5	177	-141.6	1.9	111.9	V120 Q121 C122 V126 K130 Y160 M163 D164	V120-R124 WeakPolarHBondContact O-CB 3.37Å; V120-R124 PolarHBondContact O-N 2.87Å; Q121-R124 WeakPolarHBondContact O-CB 3.43Å; Q121-R124 PolarHBondContact O-N 3.24Å; C122-R124 VanDerWaalsContact C-N 3.31Å; C122-R124 PolarHBondContact O-N 2.84Å; R124-V126 PolarHBondContact O-N 3.09Å; R124-K130 WeakPolarHBondContact O-CE 3.28Å; R124-Y160 WeakPolarHBondContact CA-OH 3.5Å; R124-Y160 HydrophobicContact CB-CE1 3.81Å; R124-Y160 HydrophobicContact CB-CE2 4.31Å; R124-Y160 HydrophobicContact CG-CD1 4.25Å; R124-Y160 HydrophobicContact CG-CE1 4Å; R124-Y160 HydrophobicContact CG-CE2 4.47Å; R124-Y160 PolarHBondContact N-OH 2.95Å; R124-M163 VanDerWaalsContact NH2-C 3.33Å; R124-M163 PolarHBondContact NH2-O 3.31Å; R124-D164 IonicContact CZ-OD1 2.82Å; R124-D164 IonicContact NE-OD1 3.63Å; R124-D164 IonicContact NH2-OD1 3.72Å; R124-D164 PolarHBondContact NH2-OD1 2.61Å
125	S	91.2	Very high	92	Very high	16 Å²	16	26.5 Å²	26.5	11%	0.112	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-22.4	177.1	75	0	0	0	0	113.2	Q121 C122 L123 P127 Q420 L478	Q121-S125 PolarHBondContact O-N 3.29Å; C122-S125 VanDerWaalsContact O-CB 3.31Å; C122-S125 WeakPolarHBondContact O-CB 3.33Å; C122-S125 PolarHBondContact O-N 3.11Å; C122-S125 PolarHBondContact O-OG 2.96Å; L123-S125 PolarHBondContact O-N 2.76Å; L123-S125 VanDerWaalsContact O-N 3.17Å; S125-P127 WeakPolarHBondContact O-CD 3.43Å; S125-Q420 PolarHBondContact O-NE2 2.93Å; S125-L478 WeakPolarHBondContact OG-CD2 3.41Å
126	V	92.1	Very high	91.6	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.132	C	C	.	.			trans	-86.1	108.8	-174.1	-176.6	0	0	0	0	111.2	L123 R124 E128 L129 K130 F246 Y322 L478	L123-V126 PolarHBondContact O-N 2.72Å; L123-V126 VanDerWaalsContact O-N 3.13Å; R124-V126 PolarHBondContact O-N 3.09Å; V126-E128 PolarHBondContact O-N 3.16Å; V126-L129 HydrophobicContact CB-CB 3.87Å; V126-L129 HydrophobicContact CG1-CB 3.71Å; V126-L129 PolarHBondContact O-N 3.32Å; V126-K130 PolarHBondContact O-N 2.95Å; V126-F246 HydrophobicContact CG1-CZ 4.18Å; V126-F246 HydrophobicContact CG2-CZ 4.06Å; V126-Y322 HydrophobicContact CG1-CD1 4.33Å; V126-Y322 HydrophobicContact CG1-CD2 3.8Å; V126-Y322 HydrophobicContact CG1-CE1 4.15Å; V126-Y322 HydrophobicContact CG1-CE2 3.59Å; V126-Y322 HydrophobicContact CG1-CG 4.18Å; V126-Y322 HydrophobicContact CG2-CD1 4.11Å; V126-Y322 HydrophobicContact CG2-CE1 4.28Å; V126-Y322 HydrophobicContact CG2-CG 4.42Å; V126-L478 HydrophobicContact CG2-CD2 3.77Å
127	P	89	Confident	91	Very high	56 Å²	56	33.4 Å²	33.4	36%	0.364	17%	0.17	S	C	.	.	H	α-helix	trans	-66.8	-38	-174.5	-21.7	35.1	0	0	0	114	S125 L129 K130 T131	S125-P127 WeakPolarHBondContact O-CD 3.43Å; P127-L129 VanDerWaalsContact C-N 3.3Å; P127-L129 PolarHBondContact O-N 3.33Å; P127-K130 WeakPolarHBondContact O-CB 3.34Å; P127-K130 PolarHBondContact O-N 2.98Å; P127-T131 PolarHBondContact O-N 3.22Å; P127-T131 PolarHBondContact O-OG1 3.05Å
128	E	89.6	Confident	90.2	Very high	27 Å²	27	33.8 Å²	33.8	13%	0.126	18%	0.175	C	C	.	.	H	α-helix	trans	-67.2	-36.8	-179.5	-67.9	78.2	-177.7	0	0	109.9	V126 T131 A132 F241 Y245 Y322 F403 R483	V126-E128 PolarHBondContact O-N 3.16Å; E128-T131 PolarHBondContact O-N 2.79Å; E128-A132 WeakPolarHBondContact O-CB 3.28Å; E128-A132 PolarHBondContact O-N 3.44Å; E128-F241 HydrophobicContact CB-CE2 4.22Å; E128-F241 HydrophobicContact CB-CZ 3.98Å; E128-Y245 HydrophobicContact CB-CD1 4.37Å; E128-Y245 HydrophobicContact CB-CE1 3.96Å; E128-Y245 HydrophobicContact CG-CD1 4.47Å; E128-Y245 HydrophobicContact CG-CE1 3.71Å; E128-Y322 WeakPolarHBondContact OE2-CE2 3.49Å; E128-Y322 PolarHBondContact OE2-OH 3.02Å; E128-F403 WeakPolarHBondContact OE1-CZ 3.45Å; E128-R483 IonicContact OE1-NH2 3.35Å; E128-R483 PolarHBondContact OE1-NH2 3.24Å
129	L	90.3	Very high	89.4	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-65.4	-43.7	174.3	178	61.2	0	0	0	111.4	L123 V126 P127 T131 A132 L133 L211 L215 F241 I242	L123-L129 HydrophobicContact CB-CD2 4.17Å; L123-L129 HydrophobicContact CD2-CD2 4.28Å; V126-L129 HydrophobicContact CB-CB 3.87Å; V126-L129 HydrophobicContact CG1-CB 3.71Å; V126-L129 PolarHBondContact O-N 3.32Å; P127-L129 VanDerWaalsContact C-N 3.3Å; P127-L129 PolarHBondContact O-N 3.33Å; L129-T131 VanDerWaalsContact C-N 3.27Å; L129-T131 PolarHBondContact O-N 3.33Å; L129-A132 PolarHBondContact O-N 3.32Å; L129-L133 HydrophobicContact CD1-CD1 4.41Å; L129-L133 HydrophobicContact CD1-CG 4.41Å; L129-L133 HydrophobicContact CG-CD1 4.21Å; L129-L133 WeakPolarHBondContact O-CG 3.49Å; L129-L133 PolarHBondContact O-N 2.86Å; L129-L211 HydrophobicContact CD1-CD1 4.08Å; L129-L211 HydrophobicContact CD2-CD1 4.37Å; L129-L215 HydrophobicContact CD1-CD1 3.49Å; L129-L215 VanDerWaalsContact CD1-CD1 3.49Å; L129-F241 HydrophobicContact CB-CE1 4.1Å; L129-F241 HydrophobicContact CB-CZ 4.34Å; L129-F241 HydrophobicContact CD1-CD1 4.34Å; L129-F241 HydrophobicContact CD1-CE1 3.78Å; L129-I242 HydrophobicContact CD1-CD1 4.41Å
130	K	90.2	Very high	88.3	Confident	46 Å²	46	38.6 Å²	38.6	20%	0.2	21%	0.207	C	C	.	.	H	α-helix	trans	-57.8	-42.4	173.1	-76.7	-177.5	161.8	-175.4	0	111.9	R124 V126 P127 L133 K134 Y160 D164	R124-K130 WeakPolarHBondContact O-CE 3.28Å; V126-K130 PolarHBondContact O-N 2.95Å; P127-K130 WeakPolarHBondContact O-CB 3.34Å; P127-K130 PolarHBondContact O-N 2.98Å; K130-L133 PolarHBondContact O-N 3.42Å; K130-K134 WeakPolarHBondContact O-CG 3.42Å; K130-K134 PolarHBondContact O-N 2.9Å; K130-Y160 HydrophobicContact CG-CD2 4.14Å; K130-Y160 HydrophobicContact CG-CE2 4.47Å; K130-D164 IonicContact NZ-OD1 3.58Å; K130-D164 PolarHBondContact NZ-OD1 3.2Å
131	T	89.6	Confident	87.2	Confident	62 Å²	62	49.6 Å²	49.6	38%	0.38	25%	0.249	S	C	.	.	H	α-helix	trans	-66.4	-41.7	179.6	-55.1	0	0	0	0	111.2	P127 E128 L129 K134 R135	P127-T131 PolarHBondContact O-N 3.22Å; P127-T131 PolarHBondContact O-OG1 3.05Å; E128-T131 PolarHBondContact O-N 2.79Å; L129-T131 VanDerWaalsContact C-N 3.27Å; L129-T131 PolarHBondContact O-N 3.33Å; T131-K134 PolarHBondContact O-N 3.47Å; T131-R135 WeakPolarHBondContact O-CG 3.46Å; T131-R135 PolarHBondContact O-N 3.21Å
132	A	88.1	Confident	86	Confident	10 Å²	10	51 Å²	51	8%	0.083	26%	0.259	C	S	.	.	H	α-helix	trans	-62.1	-43.2	174.3	0	0	0	0	0	111.9	E128 L129 K134 R135 Y136 L215 F241	E128-A132 WeakPolarHBondContact O-CB 3.28Å; E128-A132 PolarHBondContact O-N 3.44Å; L129-A132 PolarHBondContact O-N 3.32Å; A132-K134 PolarHBondContact O-N 3.38Å; A132-R135 PolarHBondContact O-N 2.76Å; A132-Y136 PolarHBondContact O-N 3.46Å; A132-L215 HydrophobicContact CB-CD1 4.29Å; A132-L215 HydrophobicContact CB-CD2 4.25Å; A132-F241 HydrophobicContact CB-CD1 4.39Å; A132-F241 HydrophobicContact CB-CD2 4.14Å; A132-F241 HydrophobicContact CB-CE1 4.33Å; A132-F241 HydrophobicContact CB-CE2 4.06Å; A132-F241 HydrophobicContact CB-CG 4.31Å; A132-F241 HydrophobicContact CB-CZ 4.18Å
133	L	88.8	Confident	84.6	Confident	2 Å²	2	56.9 Å²	56.9	1%	0.01	30%	0.3	C	S	.	.	H	α-helix	trans	-63.4	-40.5	176.2	-74.2	168.7	0	0	0	112.5	L129 K130 R135 Y136 T153 L156 R157 Y160 L211 L215	L129-L133 HydrophobicContact CD1-CD1 4.41Å; L129-L133 HydrophobicContact CD1-CG 4.41Å; L129-L133 HydrophobicContact CG-CD1 4.21Å; L129-L133 WeakPolarHBondContact O-CG 3.49Å; L129-L133 PolarHBondContact O-N 2.86Å; K130-L133 PolarHBondContact O-N 3.42Å; L133-R135 PolarHBondContact O-N 3.15Å; L133-Y136 WeakPolarHBondContact O-CB 3.42Å; L133-Y136 PolarHBondContact O-N 2.92Å; L133-Y136 VanDerWaalsContact O-N 3.13Å; L133-T153 HydrophobicContact CD2-CG2 3.85Å; L133-L156 HydrophobicContact CD1-CD2 3.96Å; L133-L156 HydrophobicContact CD1-CG 4.09Å; L133-L156 HydrophobicContact CD2-CD2 4.48Å; L133-R157 HydrophobicContact CB-CB 4.3Å; L133-R157 HydrophobicContact CD2-CB 4.49Å; L133-R157 VanDerWaalsContact O-CD 3.28Å; L133-R157 WeakPolarHBondContact O-CD 3.4Å; L133-R157 VanDerWaalsContact O-CG 3.25Å; L133-R157 WeakPolarHBondContact O-CG 3.49Å; L133-Y160 HydrophobicContact CD1-CD2 3.6Å; L133-Y160 HydrophobicContact CD1-CE2 3.63Å; L133-L211 HydrophobicContact CD2-CD2 4Å; L133-L215 HydrophobicContact CD2-CD2 4.29Å
134	K	88.9	Confident	83.4	Confident	118 Å²	118	59.6 Å²	59.6	51%	0.513	33%	0.328	S	S	.	.	H	α-helix	trans	-63.1	-29.6	176.2	-75.6	179.1	-179.2	-179.9	0	113	K130 T131 A132 D164	K130-K134 WeakPolarHBondContact O-CG 3.42Å; K130-K134 PolarHBondContact O-N 2.9Å; T131-K134 PolarHBondContact O-N 3.47Å; A132-K134 PolarHBondContact O-N 3.38Å; K134-D164 IonicContact NZ-OD2 2.76Å; K134-D164 PolarHBondContact NZ-OD2 3.23Å
135	R	87.3	Confident	82	Confident	174 Å²	174	63 Å²	63	66%	0.657	36%	0.362	S	S	*	.	H	α-helix	trans	-79.9	-22	175.9	-67.6	176.6	-173.1	-174.8	3.2	112.9	T131 A132 L133 S137	T131-R135 WeakPolarHBondContact O-CG 3.46Å; T131-R135 PolarHBondContact O-N 3.21Å; A132-R135 PolarHBondContact O-N 2.76Å; L133-R135 PolarHBondContact O-N 3.15Å; R135-S137 PolarHBondContact O-N 3.41Å
136	Y	87.1	Confident	81	Confident	34 Å²	34	67.6 Å²	67.6	13%	0.133	39%	0.385	C	S	.	.			trans	-71.1	119.2	-177.6	178.6	-105.6	0	0	0	111.3	A132 L133 G138 Q150 T153 A154 R157 K214	A132-Y136 PolarHBondContact O-N 3.46Å; L133-Y136 WeakPolarHBondContact O-CB 3.42Å; L133-Y136 PolarHBondContact O-N 2.92Å; L133-Y136 VanDerWaalsContact O-N 3.13Å; Y136-G138 VanDerWaalsContact CE1-CA 3.49Å; Y136-Q150 WeakPolarHBondContact OH-CA 3.37Å; Y136-Q150 WeakPolarHBondContact OH-CG 3.25Å; Y136-Q150 PolarHBondContact OH-O 3.2Å; Y136-T153 HydrophobicContact CD1-CG2 3.67Å; Y136-T153 HydrophobicContact CD2-CG2 4.36Å; Y136-T153 HydrophobicContact CE1-CG2 3.62Å; Y136-T153 HydrophobicContact CE2-CG2 4.35Å; Y136-T153 HydrophobicContact CG-CG2 4.02Å; Y136-A154 HydrophobicContact CE1-CB 4.22Å; Y136-R157 VanDerWaalsContact O-CD 3.3Å; Y136-R157 WeakPolarHBondContact O-CD 3.26Å; Y136-R157 PolarHBondContact O-NH1 3.13Å; Y136-K214 HydrophobicContact CE2-CB 4.11Å
137	S	82.1	Confident	80.3	Confident	115 Å²	115	67.9 Å²	67.9	80%	0.804	39%	0.388	S	S	*	.			trans	-98.4	9.5	-176.1	59.6	0	0	0	0	114.2	R135 A139	R135-S137 PolarHBondContact O-N 3.41Å; S137-A139 PolarHBondContact O-N 2.95Å
138	G	78.8	Confident	79.9	Confident	11 Å²	11	67.1 Å²	67.1	11%	0.113	38%	0.383	C	S	.	.			trans	-60.3	137.5	-177.6	0	0	0	0	0	112.9	Y136 A154 R157	Y136-G138 VanDerWaalsContact CE1-CA 3.49Å; G138-A154 WeakPolarHBondContact O-CB 3.4Å; G138-R157 PolarHBondContact O-NH1 3.2Å; G138-R157 PolarHBondContact O-NH2 3.34Å
139	A	77.9	Confident	79.7	Confident	54 Å²	54	66 Å²	66	45%	0.446	38%	0.378	S	S	.	.			trans	-75.6	145.2	178	0	0	0	0	0	111.8	S137 R141 Q150	S137-A139 PolarHBondContact O-N 2.95Å; A139-R141 PolarHBondContact O-N 3.09Å; A139-Q150 WeakPolarHBondContact O-CG 3.46Å; A139-Q150 PolarHBondContact O-NE2 3.47Å
140	L	73.9	Confident	79.6	Confident	51 Å²	51	68 Å²	68	27%	0.267	39%	0.387	S	S	.	.	S	Bend	trans	-65.1	-27.5	177.7	-160.6	70.2	0	0	0	112.9	Y151 A154 A155 I174 F178	L140-Y151 VanDerWaalsContact O-CB 3.26Å; L140-Y151 WeakPolarHBondContact O-CB 3.49Å; L140-A154 HydrophobicContact CD1-CB 3.99Å; L140-A155 HydrophobicContact CD1-CB 3.95Å; L140-I174 HydrophobicContact CD1-CG2 4.41Å; L140-I174 HydrophobicContact CD2-CG2 4.24Å; L140-F178 HydrophobicContact CD1-CD2 4.42Å; L140-F178 HydrophobicContact CD1-CE2 3.56Å; L140-F178 HydrophobicContact CD1-CZ 4.36Å; L140-F178 HydrophobicContact CD2-CE2 4.21Å; L140-F178 HydrophobicContact CD2-CZ 4.41Å; L140-F178 HydrophobicContact CG-CE2 3.66Å; L140-F178 HydrophobicContact CG-CZ 3.97Å
141	R	71.6	Confident	79.5	Confident	232 Å²	232	66.8 Å²	66.8	88%	0.875	38%	0.382	S	S	*	.			trans	-101.9	114.9	176.1	-64.1	-176.1	-178.6	178	1	108.9	A139	A139-R141 PolarHBondContact O-N 3.09Å
142	S	69.1	Low	79.6	Confident	34 Å²	34	64 Å²	64	24%	0.238	36%	0.364	C	S	.	.			trans	-138.7	142.7	175.6	-174.5	0	0	0	0	109	A147 Q150	S142-A147 WeakPolarHBondContact O-CB 3.4Å; S142-Q150 VanDerWaalsContact CB-CD 3.41Å; S142-Q150 PolarHBondContact OG-OE1 2.76Å
143	S	64.9	Low	79.8	Confident	126 Å²	126	63.5 Å²	63.5	88%	0.881	36%	0.36	S	S	*	.			trans	-126.6	129.1	176.6	-58.6	0	0	0	0	108.5
144	G	69.6	Low	79.9	Confident	56 Å²	56	63.4 Å²	63.4	58%	0.577	36%	0.36	S	S	*	.	S	Bend	trans	138.3	174.1	-177.4	0	0	0	0	0	113.2	N146 A147	G144-N146 VanDerWaalsContact C-N 3.28Å; G144-N146 PolarHBondContact O-N 3.15Å; G144-A147 WeakPolarHBondContact O-CB 3.49Å; G144-A147 PolarHBondContact O-N 3.33Å
145	A	62.2	Low	80.1	Confident	100 Å²	100	58 Å²	58	83%	0.826	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-31	-176.3	0	0	0	0	0	113.8	P148	A145-P148 WeakPolarHBondContact O-CD 3.46Å
146	N	69.8	Low	80.4	Confident	111 Å²	111	49.8 Å²	49.8	59%	0.594	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	9	175.9	-72.3	-17.8	0	0	0	113.6	G144 P148	G144-N146 VanDerWaalsContact C-N 3.28Å; G144-N146 PolarHBondContact O-N 3.15Å; N146-P148 VanDerWaalsContact C-CD 3.5Å
147	A	77.2	Confident	80.6	Confident	6 Å²	6	49.7 Å²	49.7	5%	0.05	31%	0.306	C	S	.	.	H	α-helix	trans	-62	-40.5	177.8	0	0	0	0	0	113	S142 G144 A149 Q150 Y151	S142-A147 WeakPolarHBondContact O-CB 3.4Å; G144-A147 WeakPolarHBondContact O-CB 3.49Å; G144-A147 PolarHBondContact O-N 3.33Å; A147-A149 PolarHBondContact O-N 3.24Å; A147-Q150 PolarHBondContact O-N 2.89Å; A147-Y151 VanDerWaalsContact C-CD1 3.44Å; A147-Y151 VanDerWaalsContact C-CE1 3.44Å; A147-Y151 HydrophobicContact CB-CD1 4.17Å; A147-Y151 HydrophobicContact CB-CE1 4.09Å; A147-Y151 WeakPolarHBondContact O-CD1 3.44Å; A147-Y151 WeakPolarHBondContact O-CE1 3.49Å; A147-Y151 PolarHBondContact O-N 2.61Å
148	P	81.7	Confident	81.1	Confident	41 Å²	41	46.7 Å²	46.7	27%	0.266	28%	0.281	S	S	.	.	H	α-helix	trans	-54.3	-47.7	-178.9	-26.5	35.6	0	0	0	115.3	A145 N146 Q150 Y151 I152 A182	A145-P148 WeakPolarHBondContact O-CD 3.46Å; N146-P148 VanDerWaalsContact C-CD 3.5Å; P148-Q150 VanDerWaalsContact C-N 3.27Å; P148-Q150 PolarHBondContact O-N 3.01Å; P148-Y151 VanDerWaalsContact CA-CE1 3.4Å; P148-Y151 WeakPolarHBondContact CA-OH 3.44Å; P148-Y151 HydrophobicContact CB-CE1 4.3Å; P148-Y151 HydrophobicContact CB-CE2 4.39Å; P148-Y151 WeakPolarHBondContact CB-OH 3.47Å; P148-Y151 HydrophobicContact CG-CE1 4.31Å; P148-Y151 WeakPolarHBondContact O-CD2 3.25Å; P148-I152 WeakPolarHBondContact O-CB 3.38Å; P148-I152 WeakPolarHBondContact O-CG1 3.2Å; P148-I152 PolarHBondContact O-N 2.93Å; P148-A182 HydrophobicContact CB-CB 3.84Å
149	A	85.5	Confident	81.8	Confident	3 Å²	3	47.2 Å²	47.2	3%	0.025	28%	0.281	C	S	.	.	H	α-helix	trans	-66.2	-33.5	179.1	0	0	0	0	0	112.1	A147 T153 V210 Q213 K214	A147-A149 PolarHBondContact O-N 3.24Å; A149-T153 WeakPolarHBondContact O-CB 3.46Å; A149-T153 PolarHBondContact O-N 3.1Å; A149-T153 PolarHBondContact O-OG1 3.23Å; A149-V210 HydrophobicContact CB-CB 4.48Å; A149-V210 HydrophobicContact CB-CG1 3.98Å; A149-V210 HydrophobicContact CB-CG2 4.4Å; A149-V210 WeakPolarHBondContact O-CG1 3.19Å; A149-Q213 HydrophobicContact CB-CB 4.38Å; A149-K214 HydrophobicContact CB-CD 4.37Å; A149-K214 HydrophobicContact CB-CG 3.86Å
150	Q	87.4	Confident	82.5	Confident	41 Å²	41	44.9 Å²	44.9	19%	0.192	26%	0.261	C	S	.	.	H	α-helix	trans	-71.4	-49.8	-178.2	169.3	170.8	-4.4	0	0	112.6	Y136 A139 S142 A147 P148 T153 A154	Y136-Q150 WeakPolarHBondContact OH-CA 3.37Å; Y136-Q150 WeakPolarHBondContact OH-CG 3.25Å; Y136-Q150 PolarHBondContact OH-O 3.2Å; A139-Q150 WeakPolarHBondContact O-CG 3.46Å; A139-Q150 PolarHBondContact O-NE2 3.47Å; S142-Q150 VanDerWaalsContact CB-CD 3.41Å; S142-Q150 PolarHBondContact OG-OE1 2.76Å; A147-Q150 PolarHBondContact O-N 2.89Å; P148-Q150 VanDerWaalsContact C-N 3.27Å; P148-Q150 PolarHBondContact O-N 3.01Å; Q150-T153 PolarHBondContact O-N 2.95Å; Q150-A154 WeakPolarHBondContact O-CB 3.4Å; Q150-A154 PolarHBondContact O-N 2.75Å
151	Y	88.3	Confident	83.3	Confident	21 Å²	21	45.7 Å²	45.7	8%	0.082	26%	0.263	C	S	.	.	H	α-helix	trans	-72.9	-30.3	-176.1	57.5	-119.7	0	0	0	112.5	L140 A147 P148 A155 F178 A182	L140-Y151 VanDerWaalsContact O-CB 3.26Å; L140-Y151 WeakPolarHBondContact O-CB 3.49Å; A147-Y151 VanDerWaalsContact C-CD1 3.44Å; A147-Y151 VanDerWaalsContact C-CE1 3.44Å; A147-Y151 HydrophobicContact CB-CD1 4.17Å; A147-Y151 HydrophobicContact CB-CE1 4.09Å; A147-Y151 WeakPolarHBondContact O-CD1 3.44Å; A147-Y151 WeakPolarHBondContact O-CE1 3.49Å; A147-Y151 PolarHBondContact O-N 2.61Å; P148-Y151 VanDerWaalsContact CA-CE1 3.4Å; P148-Y151 WeakPolarHBondContact CA-OH 3.44Å; P148-Y151 HydrophobicContact CB-CE1 4.3Å; P148-Y151 HydrophobicContact CB-CE2 4.39Å; P148-Y151 WeakPolarHBondContact CB-OH 3.47Å; P148-Y151 HydrophobicContact CG-CE1 4.31Å; P148-Y151 WeakPolarHBondContact O-CD2 3.25Å; Y151-A155 WeakPolarHBondContact O-CB 3.3Å; Y151-A155 PolarHBondContact O-N 3.29Å; Y151-F178 HydrophobicContact CD2-CB 3.53Å; Y151-F178 AromaticContact CD2-CD1 3.82Å; Y151-F178 HydrophobicContact CD2-CD1 3.82Å; Y151-F178 HydrophobicContact CD2-CD2 4.02Å; Y151-F178 AromaticContact CD2-CG 3.51Å; Y151-F178 HydrophobicContact CD2-CG 3.51Å; Y151-F178 HydrophobicContact CE2-CB 3.68Å; Y151-F178 HydrophobicContact CE2-CD1 4.14Å; Y151-F178 HydrophobicContact CE2-CG 4.01Å; Y151-F178 HydrophobicContact CG-CD1 4.27Å; Y151-F178 HydrophobicContact CG-CG 4.23Å; Y151-A182 HydrophobicContact CE2-CB 4.26Å
152	I	91.4	Very high	84.2	Confident	3 Å²	3	37.8 Å²	37.8	2%	0.015	24%	0.24	C	C	.	.	H	α-helix	trans	-68.3	-46.2	173.4	-71.1	173.1	0	0	0	110.4	P148 A154 A155 L156 L175 F178 A182 F183 V210	P148-I152 WeakPolarHBondContact O-CB 3.38Å; P148-I152 WeakPolarHBondContact O-CG1 3.2Å; P148-I152 PolarHBondContact O-N 2.93Å; I152-A154 VanDerWaalsContact C-N 3.32Å; I152-A154 PolarHBondContact O-N 3.37Å; I152-A155 PolarHBondContact O-N 3.27Å; I152-L156 WeakPolarHBondContact O-CB 3.26Å; I152-L156 PolarHBondContact O-N 2.99Å; I152-L175 HydrophobicContact CG2-CD1 4.36Å; I152-F178 HydrophobicContact CG1-CB 4.25Å; I152-A182 HydrophobicContact CD1-CB 3.52Å; I152-F183 HydrophobicContact CD1-CD2 4.33Å; I152-F183 HydrophobicContact CD1-CE2 3.73Å; I152-V210 HydrophobicContact CB-CG1 3.92Å; I152-V210 HydrophobicContact CD1-CG2 4.28Å; I152-V210 HydrophobicContact CG2-CB 4.5Å; I152-V210 HydrophobicContact CG2-CG1 3.78Å
153	T	91.7	Very high	85.2	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-62	-41.8	178	-55.1	0	0	0	0	111	L133 Y136 A149 Q150 L156 R157 V210 L211 K214 L215	L133-T153 HydrophobicContact CD2-CG2 3.85Å; Y136-T153 HydrophobicContact CD1-CG2 3.67Å; Y136-T153 HydrophobicContact CD2-CG2 4.36Å; Y136-T153 HydrophobicContact CE1-CG2 3.62Å; Y136-T153 HydrophobicContact CE2-CG2 4.35Å; Y136-T153 HydrophobicContact CG-CG2 4.02Å; A149-T153 WeakPolarHBondContact O-CB 3.46Å; A149-T153 PolarHBondContact O-N 3.1Å; A149-T153 PolarHBondContact O-OG1 3.23Å; Q150-T153 PolarHBondContact O-N 2.95Å; T153-L156 PolarHBondContact O-N 3.39Å; T153-R157 PolarHBondContact O-N 3.37Å; T153-V210 WeakPolarHBondContact OG1-CG1 3.5Å; T153-L211 HydrophobicContact CG2-CD2 3.9Å; T153-K214 HydrophobicContact CG2-CB 4.31Å; T153-L215 HydrophobicContact CG2-CD2 4.26Å
154	A	91.4	Very high	86.3	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-65	-44.3	175.4	0	0	0	0	0	112.2	Y136 G138 L140 Q150 I152 L156 R157 D158	Y136-A154 HydrophobicContact CE1-CB 4.22Å; G138-A154 WeakPolarHBondContact O-CB 3.4Å; L140-A154 HydrophobicContact CD1-CB 3.99Å; Q150-A154 WeakPolarHBondContact O-CB 3.4Å; Q150-A154 PolarHBondContact O-N 2.75Å; I152-A154 VanDerWaalsContact C-N 3.32Å; I152-A154 PolarHBondContact O-N 3.37Å; A154-L156 VanDerWaalsContact C-N 3.31Å; A154-L156 PolarHBondContact O-N 2.9Å; A154-R157 WeakPolarHBondContact O-CB 3.41Å; A154-R157 PolarHBondContact O-N 3.48Å; A154-D158 VanDerWaalsContact O-CG 3.29Å; A154-D158 PolarHBondContact O-N 3.24Å
155	A	92.9	Very high	87.1	Confident	5 Å²	5	38.9 Å²	38.9	4%	0.041	21%	0.212	C	C	.	.	H	α-helix	trans	-64.2	-36.3	177.8	0	0	0	0	0	112.4	L140 Y151 I152 L159 I174 L175 F178	L140-A155 HydrophobicContact CD1-CB 3.95Å; Y151-A155 WeakPolarHBondContact O-CB 3.3Å; Y151-A155 PolarHBondContact O-N 3.29Å; I152-A155 PolarHBondContact O-N 3.27Å; A155-L159 WeakPolarHBondContact O-CB 3.49Å; A155-L159 PolarHBondContact O-N 3.5Å; A155-I174 HydrophobicContact CB-CG2 4.21Å; A155-L175 HydrophobicContact CB-CB 4.49Å; A155-L175 HydrophobicContact CB-CD1 4.04Å; A155-F178 HydrophobicContact CB-CD2 3.78Å; A155-F178 HydrophobicContact CB-CE2 4.21Å
156	L	93.2	Very high	88.1	Confident	1 Å²	1	36.2 Å²	36.2	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-67.6	-41.5	175.3	-169.2	65.8	0	0	0	111.7	V120 L133 I152 T153 A154 Y160 L175 M207 L211	V120-L156 HydrophobicContact CG1-CD1 4.09Å; V120-L156 HydrophobicContact CG2-CD1 4.38Å; L133-L156 HydrophobicContact CD1-CD2 3.96Å; L133-L156 HydrophobicContact CD1-CG 4.09Å; L133-L156 HydrophobicContact CD2-CD2 4.48Å; I152-L156 WeakPolarHBondContact O-CB 3.26Å; I152-L156 PolarHBondContact O-N 2.99Å; T153-L156 PolarHBondContact O-N 3.39Å; A154-L156 VanDerWaalsContact C-N 3.31Å; A154-L156 PolarHBondContact O-N 2.9Å; L156-Y160 HydrophobicContact CD1-CD1 4.36Å; L156-Y160 HydrophobicContact CD1-CE1 3.8Å; L156-Y160 HydrophobicContact CD1-CE2 4.37Å; L156-Y160 HydrophobicContact CD2-CE2 4.5Å; L156-Y160 HydrophobicContact CG-CE1 4.41Å; L156-Y160 HydrophobicContact CG-CE2 4.18Å; L156-Y160 WeakPolarHBondContact O-CB 3.25Å; L156-Y160 PolarHBondContact O-N 3.42Å; L156-L175 HydrophobicContact CD1-CD2 4.2Å; L156-M207 HydrophobicContact CD1-CE 3.76Å; L156-M207 HydrophobicContact CD2-CE 3.84Å; L156-M207 HydrophobicContact CG-CE 4.42Å; L156-L211 HydrophobicContact CD2-CD1 4.14Å; L156-L211 HydrophobicContact CD2-CD2 4.14Å
157	R	93	Very high	88.4	Confident	33 Å²	33	34 Å²	34	13%	0.125	18%	0.179	C	C	.	.	H	α-helix	trans	-56.8	-55.7	172.2	174.9	-162.5	69.9	-147.2	-5.9	110.8	L133 Y136 G138 T153 A154 L159 Y160 E161	L133-R157 HydrophobicContact CB-CB 4.3Å; L133-R157 HydrophobicContact CD2-CB 4.49Å; L133-R157 VanDerWaalsContact O-CD 3.28Å; L133-R157 WeakPolarHBondContact O-CD 3.4Å; L133-R157 VanDerWaalsContact O-CG 3.25Å; L133-R157 WeakPolarHBondContact O-CG 3.49Å; Y136-R157 VanDerWaalsContact O-CD 3.3Å; Y136-R157 WeakPolarHBondContact O-CD 3.26Å; Y136-R157 PolarHBondContact O-NH1 3.13Å; G138-R157 PolarHBondContact O-NH1 3.2Å; G138-R157 PolarHBondContact O-NH2 3.34Å; T153-R157 PolarHBondContact O-N 3.37Å; A154-R157 WeakPolarHBondContact O-CB 3.41Å; A154-R157 PolarHBondContact O-N 3.48Å; R157-L159 VanDerWaalsContact C-N 3.3Å; R157-L159 PolarHBondContact O-N 3.48Å; R157-Y160 PolarHBondContact O-N 2.85Å; R157-Y160 VanDerWaalsContact O-N 3.15Å; R157-E161 PolarHBondContact O-N 2.93Å
158	D	92	Very high	88.6	Confident	52 Å²	52	36.4 Å²	36.4	28%	0.278	20%	0.195	S	C	.	.	H	α-helix	trans	-64.1	-37.5	-175.1	-64.2	-12.1	0	0	0	111.3	A154 T162	A154-D158 VanDerWaalsContact O-CG 3.29Å; A154-D158 PolarHBondContact O-N 3.24Å; D158-T162 WeakPolarHBondContact O-CB 3.39Å; D158-T162 PolarHBondContact O-N 3.49Å; D158-T162 PolarHBondContact O-OG1 2.96Å
159	L	92.6	Very high	88.8	Confident	21 Å²	21	36.7 Å²	36.7	11%	0.11	20%	0.198	C	C	.	.	H	α-helix	trans	-61.2	-49.3	173.3	179.6	62.8	0	0	0	110.9	L107 V120 A155 R157 E161 T162 M163 P172 L175	L107-L159 HydrophobicContact CD2-CD1 4.27Å; V120-L159 HydrophobicContact CG1-CD2 3.96Å; A155-L159 WeakPolarHBondContact O-CB 3.49Å; A155-L159 PolarHBondContact O-N 3.5Å; R157-L159 VanDerWaalsContact C-N 3.3Å; R157-L159 PolarHBondContact O-N 3.48Å; L159-E161 PolarHBondContact O-N 3.47Å; L159-T162 PolarHBondContact O-N 2.83Å; L159-M163 HydrophobicContact CD1-CG 4.16Å; L159-M163 HydrophobicContact CD1-SD 4.17Å; L159-M163 HydrophobicContact CD2-SD 4.39Å; L159-M163 HydrophobicContact CG-CG 4.3Å; L159-M163 HydrophobicContact CG-SD 3.83Å; L159-M163 WeakPolarHBondContact O-CB 3.28Å; L159-M163 WeakPolarHBondContact O-CG 3.49Å; L159-M163 PolarHBondContact O-N 2.91Å; L159-P172 HydrophobicContact CD1-CB 4.47Å; L159-P172 HydrophobicContact CD2-CB 4.17Å; L159-L175 HydrophobicContact CD2-CD2 3.75Å
160	Y	93	Very high	89.1	Confident	6 Å²	6	37.9 Å²	37.9	2%	0.024	20%	0.204	C	C	.	.	H	α-helix	trans	-64	-39.3	179.2	-76.6	-0.2	0	0	0	113.1	V120 L123 R124 K130 L133 L156 R157 T162 M163 D164	V120-Y160 HydrophobicContact CG1-CE1 3.65Å; V120-Y160 PolarHBondContact O-OH 2.79Å; L123-Y160 WeakPolarHBondContact CB-OH 3.28Å; R124-Y160 WeakPolarHBondContact CA-OH 3.5Å; R124-Y160 HydrophobicContact CB-CE1 3.81Å; R124-Y160 HydrophobicContact CB-CE2 4.31Å; R124-Y160 HydrophobicContact CG-CD1 4.25Å; R124-Y160 HydrophobicContact CG-CE1 4Å; R124-Y160 HydrophobicContact CG-CE2 4.47Å; R124-Y160 PolarHBondContact N-OH 2.95Å; K130-Y160 HydrophobicContact CG-CD2 4.14Å; K130-Y160 HydrophobicContact CG-CE2 4.47Å; L133-Y160 HydrophobicContact CD1-CD2 3.6Å; L133-Y160 HydrophobicContact CD1-CE2 3.63Å; L156-Y160 HydrophobicContact CD1-CD1 4.36Å; L156-Y160 HydrophobicContact CD1-CE1 3.8Å; L156-Y160 HydrophobicContact CD1-CE2 4.37Å; L156-Y160 HydrophobicContact CD2-CE2 4.5Å; L156-Y160 HydrophobicContact CG-CE1 4.41Å; L156-Y160 HydrophobicContact CG-CE2 4.18Å; L156-Y160 WeakPolarHBondContact O-CB 3.25Å; L156-Y160 PolarHBondContact O-N 3.42Å; R157-Y160 PolarHBondContact O-N 2.85Å; R157-Y160 VanDerWaalsContact O-N 3.15Å; Y160-T162 VanDerWaalsContact C-N 3.28Å; Y160-T162 PolarHBondContact O-N 3.29Å; Y160-M163 HydrophobicContact CD1-SD 4.03Å; Y160-M163 HydrophobicContact CE1-SD 4.46Å; Y160-M163 PolarHBondContact O-N 3.47Å; Y160-D164 WeakPolarHBondContact O-CB 3.3Å; Y160-D164 VanDerWaalsContact O-CG 3.26Å; Y160-D164 PolarHBondContact O-N 3.46Å
161	E	91.1	Very high	89.3	Confident	67 Å²	67	39 Å²	39	31%	0.313	22%	0.215	S	C	.	.	H	α-helix	trans	-62.9	-36.7	174.6	-73.9	-173.2	-175.7	0	0	112.5	R157 L159 K165	R157-E161 PolarHBondContact O-N 2.93Å; L159-E161 PolarHBondContact O-N 3.47Å; E161-K165 WeakPolarHBondContact O-CG 3.45Å
162	T	91	Very high	89.5	Confident	66 Å²	66	38.1 Å²	38.1	41%	0.405	21%	0.212	S	C	.	.	H	α-helix	trans	-72.6	-42.6	176.8	-50.4	0	0	0	0	110.8	D158 L159 Y160 D164 K165 T166 L170	D158-T162 WeakPolarHBondContact O-CB 3.39Å; D158-T162 PolarHBondContact O-N 3.49Å; D158-T162 PolarHBondContact O-OG1 2.96Å; L159-T162 PolarHBondContact O-N 2.83Å; Y160-T162 VanDerWaalsContact C-N 3.28Å; Y160-T162 PolarHBondContact O-N 3.29Å; T162-D164 VanDerWaalsContact C-N 3.26Å; T162-D164 PolarHBondContact O-N 3.26Å; T162-K165 PolarHBondContact O-N 3.47Å; T162-K165 VanDerWaalsContact O-N 3.14Å; T162-T166 WeakPolarHBondContact O-CB 3.39Å; T162-T166 PolarHBondContact O-N 2.98Å; T162-T166 VanDerWaalsContact O-N 3.15Å; T162-T166 PolarHBondContact O-OG1 3.48Å; T162-L170 HydrophobicContact CG2-CD1 3.66Å; T162-L170 HydrophobicContact CG2-CD2 4.3Å
163	M	89.2	Confident	89.6	Confident	2 Å²	2	43 Å²	43	1%	0.01	24%	0.237	C	C	.	.	H	α-helix	trans	-65.6	-25.7	176.3	-69.9	176.1	81.6	0	0	113.6	C105 L107 R124 L159 Y160 K165 L170	C105-M163 HydrophobicContact CB-CB 4.11Å; C105-M163 HydrophobicContact CB-CE 4.34Å; C105-M163 HydrophobicContact CB-CG 4.39Å; L107-M163 HydrophobicContact CD1-CE 4.34Å; L107-M163 HydrophobicContact CD2-CE 3.92Å; L107-M163 HydrophobicContact CD2-SD 4.03Å; L107-M163 HydrophobicContact CG-CE 4Å; R124-M163 VanDerWaalsContact NH2-C 3.33Å; R124-M163 PolarHBondContact NH2-O 3.31Å; L159-M163 HydrophobicContact CD1-CG 4.16Å; L159-M163 HydrophobicContact CD1-SD 4.17Å; L159-M163 HydrophobicContact CD2-SD 4.39Å; L159-M163 HydrophobicContact CG-CG 4.3Å; L159-M163 HydrophobicContact CG-SD 3.83Å; L159-M163 WeakPolarHBondContact O-CB 3.28Å; L159-M163 WeakPolarHBondContact O-CG 3.49Å; L159-M163 PolarHBondContact O-N 2.91Å; Y160-M163 HydrophobicContact CD1-SD 4.03Å; Y160-M163 HydrophobicContact CE1-SD 4.46Å; Y160-M163 PolarHBondContact O-N 3.47Å; M163-K165 VanDerWaalsContact C-N 3.34Å; M163-L170 HydrophobicContact CB-CD1 4.36Å; M163-L170 HydrophobicContact CG-CD1 3.75Å
164	D	87.6	Confident	89.6	Confident	65 Å²	65	47.7 Å²	47.7	35%	0.348	26%	0.261	S	S	.	.	H	α-helix	trans	-77.8	-20.2	176	-77.3	-3.9	0	0	0	111.9	R124 K130 K134 Y160 T162	R124-D164 IonicContact CZ-OD1 2.82Å; R124-D164 IonicContact NE-OD1 3.63Å; R124-D164 IonicContact NH2-OD1 3.72Å; R124-D164 PolarHBondContact NH2-OD1 2.61Å; K130-D164 IonicContact NZ-OD1 3.58Å; K130-D164 PolarHBondContact NZ-OD1 3.2Å; K134-D164 IonicContact NZ-OD2 2.76Å; K134-D164 PolarHBondContact NZ-OD2 3.23Å; Y160-D164 WeakPolarHBondContact O-CB 3.3Å; Y160-D164 VanDerWaalsContact O-CG 3.26Å; Y160-D164 PolarHBondContact O-N 3.46Å; T162-D164 VanDerWaalsContact C-N 3.26Å; T162-D164 PolarHBondContact O-N 3.26Å
165	K	86.9	Confident	89.7	Confident	172 Å²	172	48 Å²	48	75%	0.748	26%	0.262	S	S	*	.	H	α-helix	trans	-97.7	-20.8	-179.9	-68.7	172.1	-175.2	168.9	0	113.8	E161 T162 M163	E161-K165 WeakPolarHBondContact O-CG 3.45Å; T162-K165 PolarHBondContact O-N 3.47Å; T162-K165 VanDerWaalsContact O-N 3.14Å; M163-K165 VanDerWaalsContact C-N 3.34Å
166	T	82.4	Confident	89.7	Confident	45 Å²	45	48.3 Å²	48.3	28%	0.276	26%	0.264	S	S	.	.			trans	-115.5	138.3	-170.1	-59.3	0	0	0	0	110.7	C105 T162 S168 L170	C105-T166 WeakPolarHBondContact CB-O 3.32Å; T162-T166 WeakPolarHBondContact O-CB 3.39Å; T162-T166 PolarHBondContact O-N 2.98Å; T162-T166 VanDerWaalsContact O-N 3.15Å; T162-T166 PolarHBondContact O-OG1 3.48Å; T166-S168 WeakPolarHBondContact CG2-OG 3.27Å; T166-L170 HydrophobicContact CG2-CD2 4.22Å; T166-L170 HydrophobicContact CG2-CG 4.47Å
167	S	76.3	Confident	89.6	Confident	63 Å²	63	53 Å²	53	44%	0.441	29%	0.285	S	S	.	.			trans	-95.8	-18	174.1	-55.6	0	0	0	0	113.4
168	S	82	Confident	89.5	Confident	57 Å²	57	53.1 Å²	53.1	40%	0.399	29%	0.287	S	S	.	.	S	Bend	trans	-76.2	162.6	175.9	68.7	0	0	0	0	112	C105 T166	C105-S168 PolarHBondContact SG-O 3.36Å; T166-S168 WeakPolarHBondContact CG2-OG 3.27Å
169	S	86.9	Confident	89.5	Confident	47 Å²	47	50.8 Å²	50.8	33%	0.329	27%	0.274	S	S	.	.			trans	-65.2	144.2	172.8	62.2	0	0	0	0	111.4	G106	G106-S169 WeakPolarHBondContact O-CA 3.29Å
170	L	90.4	Very high	89.4	Confident	29 Å²	29	50.5 Å²	50.5	15%	0.152	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-118.5	133.2	179.7	-70.1	175.4	0	0	0	111	G106 L107 T108 T162 M163 T166 P172	G106-L170 PolarHBondContact O-N 2.7Å; L107-L170 VanDerWaalsContact CA-O 3.3Å; L107-L170 WeakPolarHBondContact CA-O 3.48Å; L107-L170 HydrophobicContact CD2-CB 4.38Å; L107-L170 WeakPolarHBondContact CD2-O 3.2Å; T108-L170 PolarHBondContact N-O 3.05Å; T162-L170 HydrophobicContact CG2-CD1 3.66Å; T162-L170 HydrophobicContact CG2-CD2 4.3Å; M163-L170 HydrophobicContact CB-CD1 4.36Å; M163-L170 HydrophobicContact CG-CD1 3.75Å; T166-L170 HydrophobicContact CG2-CD2 4.22Å; T166-L170 HydrophobicContact CG2-CG 4.47Å; L170-P172 VanDerWaalsContact O-CD 3.31Å; L170-P172 WeakPolarHBondContact O-CD 3.44Å
171	P	92.8	Very high	89.2	Confident	63 Å²	63	55.6 Å²	55.6	41%	0.409	30%	0.298	S	S	.	.			trans	-83	116	174.7	31.6	-33	0	0	0	110.5	L110 I173	L110-P171 HydrophobicContact CD2-CB 4.24Å; P171-I173 HydrophobicContact CB-CD1 4.22Å; P171-I173 HydrophobicContact CB-CG1 4.05Å; P171-I173 HydrophobicContact CG-CD1 4.31Å; P171-I173 PolarHBondContact O-N 3.36Å
172	P	92.4	Very high	89.1	Confident	4 Å²	4	53.3 Å²	53.3	3%	0.026	29%	0.291	C	S	.	.			trans	-80.1	49.9	-175.4	33.7	-36.2	0	0	0	113.1	L107 L110 M116 N117 L159 L170 I174 L175 L176	L107-P172 HydrophobicContact CD2-CB 4.41Å; L107-P172 HydrophobicContact CD2-CG 4.44Å; L110-P172 HydrophobicContact CD1-CG 4.43Å; M116-P172 HydrophobicContact CE-CB 3.85Å; M116-P172 HydrophobicContact CE-CG 3.44Å; M116-P172 VanDerWaalsContact CE-CG 3.44Å; N117-P172 WeakPolarHBondContact OD1-CG 3.49Å; L159-P172 HydrophobicContact CD1-CB 4.47Å; L159-P172 HydrophobicContact CD2-CB 4.17Å; L170-P172 VanDerWaalsContact O-CD 3.31Å; L170-P172 WeakPolarHBondContact O-CD 3.44Å; P172-I174 PolarHBondContact O-N 3.2Å; P172-L175 PolarHBondContact O-N 2.9Å; P172-L176 WeakPolarHBondContact O-CB 3.36Å; P172-L176 PolarHBondContact O-N 3.21Å
173	I	92.9	Very high	89.1	Confident	104 Å²	104	51.6 Å²	51.6	53%	0.533	28%	0.278	S	S	.	.	H	α-helix	trans	-60.9	-44.8	-172.9	-57.5	170.1	0	0	0	111.5	L110 P171 L176 Q177	L110-I173 HydrophobicContact CD1-CB 4.39Å; L110-I173 HydrophobicContact CD1-CG1 3.75Å; L110-I173 HydrophobicContact CD2-CG1 4.38Å; P171-I173 HydrophobicContact CB-CD1 4.22Å; P171-I173 HydrophobicContact CB-CG1 4.05Å; P171-I173 HydrophobicContact CG-CD1 4.31Å; P171-I173 PolarHBondContact O-N 3.36Å; I173-L176 PolarHBondContact O-N 3.05Å; I173-Q177 WeakPolarHBondContact O-CB 3.43Å; I173-Q177 PolarHBondContact O-N 3.02Å
174	I	92	Very high	89	Confident	100 Å²	100	55.9 Å²	55.9	51%	0.513	31%	0.306	S	S	.	.	H	α-helix	trans	-64.2	-48	-177.2	-60.8	174.7	0	0	0	110.3	L140 A155 P172 Q177 F178	L140-I174 HydrophobicContact CD1-CG2 4.41Å; L140-I174 HydrophobicContact CD2-CG2 4.24Å; A155-I174 HydrophobicContact CB-CG2 4.21Å; P172-I174 PolarHBondContact O-N 3.2Å; I174-Q177 PolarHBondContact O-N 3Å; I174-F178 HydrophobicContact CG2-CD2 3.82Å; I174-F178 HydrophobicContact CG2-CE2 3.4Å; I174-F178 VanDerWaalsContact CG2-CE2 3.4Å; I174-F178 HydrophobicContact CG2-CZ 4.17Å; I174-F178 WeakPolarHBondContact O-CD2 3.36Å; I174-F178 WeakPolarHBondContact O-CG 3.39Å; I174-F178 PolarHBondContact O-N 3.4Å; I174-F178 VanDerWaalsContact O-N 3.12Å
175	L	92.8	Very high	89.1	Confident	5 Å²	5	56.1 Å²	56.1	3%	0.026	30%	0.304	C	S	.	.	H	α-helix	trans	-63.4	-44.7	179.3	-178.1	64.2	0	0	0	111	M116 V120 I152 A155 L156 L159 P172 F178 L179	M116-L175 HydrophobicContact SD-CD2 4.31Å; M116-L175 HydrophobicContact SD-CG 4.27Å; V120-L175 HydrophobicContact CG2-CD2 3.71Å; I152-L175 HydrophobicContact CG2-CD1 4.36Å; A155-L175 HydrophobicContact CB-CB 4.49Å; A155-L175 HydrophobicContact CB-CD1 4.04Å; L156-L175 HydrophobicContact CD1-CD2 4.2Å; L159-L175 HydrophobicContact CD2-CD2 3.75Å; P172-L175 PolarHBondContact O-N 2.9Å; L175-F178 PolarHBondContact O-N 3.33Å; L175-L179 WeakPolarHBondContact O-CB 3.46Å; L175-L179 PolarHBondContact O-N 3.03Å
176	L	92.9	Very high	89.2	Confident	13 Å²	13	47.9 Å²	47.9	7%	0.068	27%	0.269	C	S	.	.	H	α-helix	trans	-60.2	-47.4	178.6	-176.8	66.9	0	0	0	111.9	L110 T113 M116 P172 I173 F178 L179 H180	L110-L176 HydrophobicContact CB-CD2 3.89Å; L110-L176 HydrophobicContact CD1-CD2 3.83Å; T113-L176 HydrophobicContact CG2-CD1 3.83Å; T113-L176 HydrophobicContact CG2-CD2 3.84Å; M116-L176 HydrophobicContact CE-CB 4.04Å; M116-L176 HydrophobicContact CE-CD1 4.1Å; M116-L176 HydrophobicContact SD-CB 4.24Å; M116-L176 HydrophobicContact SD-CD1 3.95Å; P172-L176 WeakPolarHBondContact O-CB 3.36Å; P172-L176 PolarHBondContact O-N 3.21Å; I173-L176 PolarHBondContact O-N 3.05Å; L176-F178 VanDerWaalsContact C-N 3.3Å; L176-F178 PolarHBondContact O-N 3.41Å; L176-L179 WeakPolarHBondContact O-CB 3.44Å; L176-L179 PolarHBondContact O-N 2.96Å; L176-H180 WeakPolarHBondContact CD1-NE2 3.4Å; L176-H180 PolarHBondContact O-N 3Å
177	Q	91	Very high	89.5	Confident	98 Å²	98	47.3 Å²	47.3	46%	0.458	27%	0.268	S	S	.	.	H	α-helix	trans	-61.2	-42.2	-179.9	-175.4	61.7	31.6	0	0	111.3	I173 I174 H180 M181	I173-Q177 WeakPolarHBondContact O-CB 3.43Å; I173-Q177 PolarHBondContact O-N 3.02Å; I174-Q177 PolarHBondContact O-N 3Å; Q177-H180 PolarHBondContact O-N 2.89Å; Q177-M181 HydrophobicContact CG-SD 4.36Å; Q177-M181 VanDerWaalsContact O-CG 3.27Å; Q177-M181 WeakPolarHBondContact O-CG 3.35Å; Q177-M181 PolarHBondContact O-N 3.21Å
178	F	91.3	Very high	90	Very high	36 Å²	36	49.8 Å²	49.8	16%	0.158	27%	0.273	C	S	.	.	H	α-helix	trans	-69.2	-35.2	175.9	-73	-26.1	0	0	0	113.5	L140 Y151 I152 A155 I174 L175 L176 M181 A182	L140-F178 HydrophobicContact CD1-CD2 4.42Å; L140-F178 HydrophobicContact CD1-CE2 3.56Å; L140-F178 HydrophobicContact CD1-CZ 4.36Å; L140-F178 HydrophobicContact CD2-CE2 4.21Å; L140-F178 HydrophobicContact CD2-CZ 4.41Å; L140-F178 HydrophobicContact CG-CE2 3.66Å; L140-F178 HydrophobicContact CG-CZ 3.97Å; Y151-F178 HydrophobicContact CD2-CB 3.53Å; Y151-F178 AromaticContact CD2-CD1 3.82Å; Y151-F178 HydrophobicContact CD2-CD1 3.82Å; Y151-F178 HydrophobicContact CD2-CD2 4.02Å; Y151-F178 AromaticContact CD2-CG 3.51Å; Y151-F178 HydrophobicContact CD2-CG 3.51Å; Y151-F178 HydrophobicContact CE2-CB 3.68Å; Y151-F178 HydrophobicContact CE2-CD1 4.14Å; Y151-F178 HydrophobicContact CE2-CG 4.01Å; Y151-F178 HydrophobicContact CG-CD1 4.27Å; Y151-F178 HydrophobicContact CG-CG 4.23Å; I152-F178 HydrophobicContact CG1-CB 4.25Å; A155-F178 HydrophobicContact CB-CD2 3.78Å; A155-F178 HydrophobicContact CB-CE2 4.21Å; I174-F178 HydrophobicContact CG2-CD2 3.82Å; I174-F178 HydrophobicContact CG2-CE2 3.4Å; I174-F178 VanDerWaalsContact CG2-CE2 3.4Å; I174-F178 HydrophobicContact CG2-CZ 4.17Å; I174-F178 WeakPolarHBondContact O-CD2 3.36Å; I174-F178 WeakPolarHBondContact O-CG 3.39Å; I174-F178 PolarHBondContact O-N 3.4Å; I174-F178 VanDerWaalsContact O-N 3.12Å; L175-F178 PolarHBondContact O-N 3.33Å; L176-F178 VanDerWaalsContact C-N 3.3Å; L176-F178 PolarHBondContact O-N 3.41Å; F178-M181 HydrophobicContact CD1-SD 4.2Å; F178-M181 PolarHBondContact O-N 2.9Å; F178-A182 WeakPolarHBondContact O-CB 2.94Å; F178-A182 PolarHBondContact O-N 3.15Å
179	L	91.5	Very high	90.3	Very high	3 Å²	3	52.6 Å²	52.6	2%	0.016	28%	0.278	C	S	.	.	H	α-helix	trans	-61.5	-46.5	173.7	-168.4	74.4	0	0	0	110.6	M116 L175 L176 M181 A182 F183 F186	M116-L179 HydrophobicContact CG-CD2 4.32Å; M116-L179 HydrophobicContact SD-CD2 4.02Å; L175-L179 WeakPolarHBondContact O-CB 3.46Å; L175-L179 PolarHBondContact O-N 3.03Å; L176-L179 WeakPolarHBondContact O-CB 3.44Å; L176-L179 PolarHBondContact O-N 2.96Å; L179-M181 VanDerWaalsContact C-N 3.33Å; L179-M181 PolarHBondContact O-N 3.49Å; L179-A182 PolarHBondContact O-N 3.48Å; L179-F183 HydrophobicContact CD1-CD2 3.78Å; L179-F183 HydrophobicContact CD1-CE2 4.21Å; L179-F183 HydrophobicContact CG-CD2 4.46Å; L179-F183 PolarHBondContact O-N 2.85Å; L179-F186 HydrophobicContact CD1-CD2 4.28Å; L179-F186 HydrophobicContact CD1-CE2 4.37Å; L179-F186 HydrophobicContact CD2-CD2 3.96Å; L179-F186 HydrophobicContact CD2-CE2 4.5Å; L179-F186 HydrophobicContact CD2-CG 4.49Å; L179-F186 HydrophobicContact CG-CD2 3.84Å; L179-F186 HydrophobicContact CG-CE2 4.39Å
180	H	91.4	Very high	90.2	Very high	15 Å²	15	51.4 Å²	51.4	7%	0.069	27%	0.274	C	S	.	.	H	α-helix	trans	-63.3	-35.6	176.4	-70.9	179	0	0	0	113.2	L176 Q177 F186 A187 Y195	L176-H180 WeakPolarHBondContact CD1-NE2 3.4Å; L176-H180 PolarHBondContact O-N 3Å; Q177-H180 PolarHBondContact O-N 2.89Å; H180-F186 PolarHBondContact NE2-O 2.77Å; H180-A187 HydrophobicContact CB-CB 3.83Å; H180-Y195 AromaticContact CE1-CD1 3.8Å; H180-Y195 AromaticContact CE1-CE1 3.62Å; H180-Y195 AromaticContact CE1-CZ 3.77Å; H180-Y195 AromaticContact ND1-CE1 3.79Å; H180-Y195 AromaticContact ND1-CZ 3.88Å
181	M	88.8	Confident	89.5	Confident	113 Å²	113	58.7 Å²	58.7	56%	0.557	31%	0.312	S	S	*	.	H	α-helix	trans	-71.3	-36.8	176.4	-73	176.2	67.2	0	0	112.8	Q177 F178 L179	Q177-M181 HydrophobicContact CG-SD 4.36Å; Q177-M181 VanDerWaalsContact O-CG 3.27Å; Q177-M181 WeakPolarHBondContact O-CG 3.35Å; Q177-M181 PolarHBondContact O-N 3.21Å; F178-M181 HydrophobicContact CD1-SD 4.2Å; F178-M181 PolarHBondContact O-N 2.9Å; L179-M181 VanDerWaalsContact C-N 3.33Å; L179-M181 PolarHBondContact O-N 3.49Å
182	A	89.1	Confident	88.8	Confident	20 Å²	20	64.3 Å²	64.3	17%	0.165	33%	0.333	C	S	.	.	H	α-helix	trans	-78.1	-37.9	179.7	0	0	0	0	0	112.6	P148 Y151 I152 F178 L179	P148-A182 HydrophobicContact CB-CB 3.84Å; Y151-A182 HydrophobicContact CE2-CB 4.26Å; I152-A182 HydrophobicContact CD1-CB 3.52Å; F178-A182 WeakPolarHBondContact O-CB 2.94Å; F178-A182 PolarHBondContact O-N 3.15Å; L179-A182 PolarHBondContact O-N 3.48Å
183	F	90.5	Very high	88.2	Confident	30 Å²	30	66.3 Å²	66.3	13%	0.132	36%	0.355	C	S	.	.			trans	-132	86.1	-171.4	-56	-62.4	0	0	0	109.3	I152 L179 Q185 F186 Q206 V210	I152-F183 HydrophobicContact CD1-CD2 4.33Å; I152-F183 HydrophobicContact CD1-CE2 3.73Å; L179-F183 HydrophobicContact CD1-CD2 3.78Å; L179-F183 HydrophobicContact CD1-CE2 4.21Å; L179-F183 HydrophobicContact CG-CD2 4.46Å; L179-F183 PolarHBondContact O-N 2.85Å; F183-Q185 VanDerWaalsContact C-OE1 3.29Å; F183-Q185 PolarHBondContact O-N 2.75Å; F183-F186 HydrophobicContact CB-CD2 3.56Å; F183-F186 HydrophobicContact CB-CE2 3.78Å; F183-F186 HydrophobicContact CD2-CD2 4.43Å; F183-F186 HydrophobicContact CD2-CE2 4.21Å; F183-F186 HydrophobicContact CG-CD2 4.36Å; F183-F186 HydrophobicContact CG-CE2 4.18Å; F183-F186 PolarHBondContact O-N 2.67Å; F183-F186 VanDerWaalsContact O-N 3.08Å; F183-Q206 HydrophobicContact CD1-CG 4.32Å; F183-Q206 HydrophobicContact CD2-CB 4.21Å; F183-Q206 HydrophobicContact CE1-CB 4.26Å; F183-Q206 HydrophobicContact CE1-CG 4.24Å; F183-Q206 HydrophobicContact CE2-CB 3.81Å; F183-Q206 HydrophobicContact CE2-CG 4.5Å; F183-Q206 HydrophobicContact CG-CG 4.48Å; F183-Q206 HydrophobicContact CZ-CB 3.84Å; F183-Q206 HydrophobicContact CZ-CG 4.33Å; F183-V210 HydrophobicContact CE2-CG2 4.18Å; F183-V210 HydrophobicContact CZ-CG2 3.84Å
184	P	88	Confident	87.8	Confident	92 Å²	92	66.2 Å²	66.2	60%	0.597	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-58.7	-20.4	-176.4	-27.1	36.1	0	0	0	114.5	F186 A187	P184-F186 PolarHBondContact O-N 2.93Å; P184-A187 WeakPolarHBondContact O-CB 3.47Å; P184-A187 PolarHBondContact O-N 3.45Å
185	Q	88.8	Confident	87.6	Confident	69 Å²	69	64.4 Å²	64.4	32%	0.322	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-59.3	-31.3	176	70	-95.9	39.8	0	0	112.5	F183 A187 Q198 E202	F183-Q185 VanDerWaalsContact C-OE1 3.29Å; F183-Q185 PolarHBondContact O-N 2.75Å; Q185-A187 VanDerWaalsContact C-N 3.28Å; Q185-A187 PolarHBondContact O-N 2.8Å; Q185-Q198 PolarHBondContact O-NE2 3.19Å; Q185-E202 PolarHBondContact NE2-OE1 3.48Å
186	F	89	Confident	87.4	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-80.4	-12.9	179	-58.1	-45.6	0	0	0	113.2	L179 H180 F183 P184 E188 Q198 E202 C203 Q206	L179-F186 HydrophobicContact CD1-CD2 4.28Å; L179-F186 HydrophobicContact CD1-CE2 4.37Å; L179-F186 HydrophobicContact CD2-CD2 3.96Å; L179-F186 HydrophobicContact CD2-CE2 4.5Å; L179-F186 HydrophobicContact CD2-CG 4.49Å; L179-F186 HydrophobicContact CG-CD2 3.84Å; L179-F186 HydrophobicContact CG-CE2 4.39Å; H180-F186 PolarHBondContact NE2-O 2.77Å; F183-F186 HydrophobicContact CB-CD2 3.56Å; F183-F186 HydrophobicContact CB-CE2 3.78Å; F183-F186 HydrophobicContact CD2-CD2 4.43Å; F183-F186 HydrophobicContact CD2-CE2 4.21Å; F183-F186 HydrophobicContact CG-CD2 4.36Å; F183-F186 HydrophobicContact CG-CE2 4.18Å; F183-F186 PolarHBondContact O-N 2.67Å; F183-F186 VanDerWaalsContact O-N 3.08Å; P184-F186 PolarHBondContact O-N 2.93Å; F186-E188 VanDerWaalsContact C-N 3.34Å; F186-Q198 HydrophobicContact CB-CG 4.46Å; F186-Q198 HydrophobicContact CD1-CB 3.68Å; F186-Q198 HydrophobicContact CD1-CG 3.75Å; F186-Q198 HydrophobicContact CE1-CB 4.12Å; F186-E202 HydrophobicContact CE1-CB 4.26Å; F186-E202 HydrophobicContact CE1-CG 4.13Å; F186-E202 HydrophobicContact CZ-CB 4.25Å; F186-E202 HydrophobicContact CZ-CG 3.9Å; F186-C203 HydrophobicContact CZ-CB 4.3Å; F186-Q206 HydrophobicContact CE2-CB 4.5Å; F186-Q206 HydrophobicContact CE2-CG 4.19Å; F186-Q206 HydrophobicContact CZ-CG 4.23Å
187	A	89.1	Confident	87.1	Confident	32 Å²	32	68 Å²	68	26%	0.264	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-92.2	7.4	-179.4	0	0	0	0	0	113.2	H180 P184 Q185	H180-A187 HydrophobicContact CB-CB 3.83Å; P184-A187 WeakPolarHBondContact O-CB 3.47Å; P184-A187 PolarHBondContact O-N 3.45Å; Q185-A187 VanDerWaalsContact C-N 3.28Å; Q185-A187 PolarHBondContact O-N 2.8Å
188	E	87.3	Confident	87.1	Confident	116 Å²	116	64.7 Å²	64.7	54%	0.542	34%	0.342	S	S	.	.			trans	-63.4	134.6	178.9	-162.2	178.3	-172.7	0	0	110.9	F186 L196	F186-E188 VanDerWaalsContact C-N 3.34Å; E188-L196 HydrophobicContact CB-CD1 4.22Å; E188-L196 HydrophobicContact CG-CD1 3.79Å; E188-L196 PolarHBondContact O-N 2.97Å
189	K	87.6	Confident	87	Confident	115 Å²	115	65.3 Å²	65.3	50%	0.5	35%	0.347	S	S	.	.	B	Isolated β-bridge	trans	-116.1	136.1	-177.8	-66.3	178.9	178.8	-174.8	0	109.4	Q194 Y195	K189-Q194 CarbonylContact C-O 3.51Å; K189-Q194 VanDerWaalsContact CA-O 3.3Å; K189-Q194 WeakPolarHBondContact CA-O 3.42Å; K189-Y195 HydrophobicContact CD-CE1 4.25Å; K189-Y195 HydrophobicContact CG-CD1 3.82Å; K189-Y195 HydrophobicContact CG-CE1 3.97Å
190	G	83.8	Confident	87.1	Confident	23 Å²	23	65.1 Å²	65.1	24%	0.237	35%	0.346	C	S	.	.			trans	-74.6	-178.8	172.8	0	0	0	0	0	112.4	Q192 G193 Q194	G190-Q192 PolarHBondContact O-N 2.75Å; G190-G193 PolarHBondContact O-N 2.79Å; G190-Q194 PolarHBondContact N-O 2.89Å
191	D	75.9	Confident	87.1	Confident	181 Å²	181	64.7 Å²	64.7	97%	0.968	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-25.1	-174.5	-59.9	-23.2	0	0	0	114.4
192	Q	79.3	Confident	87.3	Confident	182 Å²	182	62.4 Å²	62.4	85%	0.85	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	7.8	178.2	-62.3	-174	0.7	0	0	113.7	G190 Q194	G190-Q192 PolarHBondContact O-N 2.75Å; Q192-Q194 PolarHBondContact O-N 2.81Å
193	G	79.9	Confident	87.6	Confident	46 Å²	46	61.5 Å²	61.5	47%	0.474	32%	0.324	S	S	.	.	S	Bend	trans	76.7	2.7	-179.5	0	0	0	0	0	115.2	G190	G190-G193 PolarHBondContact O-N 2.79Å
194	Q	84.3	Confident	87.8	Confident	101 Å²	101	60.2 Å²	60.2	47%	0.472	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-78.7	144.3	172.5	-174	174.8	-8.9	0	0	110.8	N112 K189 G190 Q192	N112-Q194 PolarHBondContact ND2-NE2 3.33Å; K189-Q194 CarbonylContact C-O 3.51Å; K189-Q194 VanDerWaalsContact CA-O 3.3Å; K189-Q194 WeakPolarHBondContact CA-O 3.42Å; G190-Q194 PolarHBondContact N-O 2.89Å; Q192-Q194 PolarHBondContact O-N 2.81Å
195	Y	87.8	Confident	88	Confident	62 Å²	62	59.2 Å²	59.2	24%	0.243	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-62.9	137.6	174.5	-65.6	-65.1	0	0	0	111.5	N112 H180 K189	N112-Y195 PolarHBondContact ND2-O 3.37Å; H180-Y195 AromaticContact CE1-CD1 3.8Å; H180-Y195 AromaticContact CE1-CE1 3.62Å; H180-Y195 AromaticContact CE1-CZ 3.77Å; H180-Y195 AromaticContact ND1-CE1 3.79Å; H180-Y195 AromaticContact ND1-CZ 3.88Å; K189-Y195 HydrophobicContact CD-CE1 4.25Å; K189-Y195 HydrophobicContact CG-CD1 3.82Å; K189-Y195 HydrophobicContact CG-CE1 3.97Å
196	L	88	Confident	88.2	Confident	64 Å²	64	57.5 Å²	57.5	34%	0.335	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-76.2	151.7	174.9	-64.9	-179.7	0	0	0	111	E188	E188-L196 HydrophobicContact CB-CD1 4.22Å; E188-L196 HydrophobicContact CG-CD1 3.79Å; E188-L196 PolarHBondContact O-N 2.97Å
197	Q	86.3	Confident	88.3	Confident	29 Å²	29	57.7 Å²	57.7	14%	0.136	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-74.4	140.3	172.4	-170.4	169.1	1.9	0	0	110.1	N112 G433 Y435	N112-Q197 HydrophobicContact CB-CB 4.01Å; Q197-G433 PolarHBondContact NE2-O 3.29Å; Q197-G433 PolarHBondContact OE1-O 3.08Å; Q197-Y435 HydrophobicContact CG-CE2 4.26Å
198	Q	90.7	Very high	88.4	Confident	30 Å²	30	56.4 Å²	56.4	14%	0.14	29%	0.289	C	S	.	.			trans	-123	167.8	-174.7	-59.8	-68.6	-23.8	0	0	110.8	Y115 Q185 F186 A200 Y435	Y115-Q198 HydrophobicContact CD1-CB 4.23Å; Y115-Q198 HydrophobicContact CD2-CB 4.34Å; Y115-Q198 HydrophobicContact CE1-CB 3.93Å; Y115-Q198 HydrophobicContact CE1-CG 4.3Å; Y115-Q198 HydrophobicContact CE2-CB 4.07Å; Y115-Q198 HydrophobicContact CG-CB 4.43Å; Q185-Q198 PolarHBondContact O-NE2 3.19Å; F186-Q198 HydrophobicContact CB-CG 4.46Å; F186-Q198 HydrophobicContact CD1-CB 3.68Å; F186-Q198 HydrophobicContact CD1-CG 3.75Å; F186-Q198 HydrophobicContact CE1-CB 4.12Å; Q198-A200 PolarHBondContact O-N 3.13Å; Q198-Y435 WeakPolarHBondContact O-CE2 3.07Å
199	D	91	Very high	88.6	Confident	48 Å²	48	57.8 Å²	57.8	26%	0.257	29%	0.289	S	S	.	.			trans	-74.9	123	-180	-168.3	-35	0	0	0	111.1	N201 E202 C203 Y475	D199-N201 VanDerWaalsContact C-N 3.27Å; D199-N201 PolarHBondContact O-N 3.17Å; D199-N201 WeakPolarHBondContact OD1-CA 3.28Å; D199-N201 WeakPolarHBondContact OD1-CB 3.42Å; D199-N201 PolarHBondContact OD1-N 2.9Å; D199-E202 HydrophobicContact CB-CB 4.05Å; D199-E202 PolarHBondContact O-N 3.41Å; D199-C203 PolarHBondContact O-N 3Å; D199-C203 VanDerWaalsContact O-N 3.1Å; D199-Y475 VanDerWaalsContact CG-OH 3.26Å; D199-Y475 WeakPolarHBondContact OD1-CE1 3.39Å; D199-Y475 PolarHBondContact OD1-OH 2.86Å; D199-Y475 PolarHBondContact OD2-OH 2.77Å
200	A	93	Very high	88.7	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-62.8	-32.6	178.3	0	0	0	0	0	113.2	T119 Q198 C203 W204 L423 Y435	T119-A200 PolarHBondContact OG1-O 2.76Å; T119-A200 VanDerWaalsContact OG1-O 3.11Å; Q198-A200 PolarHBondContact O-N 3.13Å; A200-C203 PolarHBondContact O-N 3.26Å; A200-W204 WeakPolarHBondContact O-CB 3.46Å; A200-W204 PolarHBondContact O-N 3.16Å; A200-L423 HydrophobicContact CB-CD1 3.95Å; A200-L423 HydrophobicContact CB-CD2 3.74Å; A200-L423 HydrophobicContact CB-CG 4.49Å; A200-Y435 HydrophobicContact CB-CD1 3.62Å; A200-Y435 HydrophobicContact CB-CD2 4.43Å; A200-Y435 HydrophobicContact CB-CE1 3.57Å; A200-Y435 HydrophobicContact CB-CE2 4.4Å; A200-Y435 HydrophobicContact CB-CG 4.05Å
201	N	92.2	Very high	89	Confident	6 Å²	6	51.5 Å²	51.5	3%	0.032	26%	0.256	C	S	.	.	H	α-helix	trans	-72.3	-34.9	176.9	-169.2	76.1	0	0	0	111.6	D199 W204 L205 Q273 Q326 Y475 V476	D199-N201 VanDerWaalsContact C-N 3.27Å; D199-N201 PolarHBondContact O-N 3.17Å; D199-N201 WeakPolarHBondContact OD1-CA 3.28Å; D199-N201 WeakPolarHBondContact OD1-CB 3.42Å; D199-N201 PolarHBondContact OD1-N 2.9Å; N201-W204 WeakPolarHBondContact O-CB 3.43Å; N201-W204 PolarHBondContact O-N 3.06Å; N201-L205 WeakPolarHBondContact ND2-CD1 3.37Å; N201-L205 VanDerWaalsContact O-CG 3.32Å; N201-L205 WeakPolarHBondContact O-CG 3.45Å; N201-L205 PolarHBondContact O-N 3.44Å; N201-Q273 PolarHBondContact ND2-OE1 2.98Å; N201-Q273 PolarHBondContact OD1-NE2 3.01Å; N201-Q273 PolarHBondContact OD1-OE1 3.29Å; N201-Q326 VanDerWaalsContact ND2-CD 3.35Å; N201-Q326 PolarHBondContact ND2-NE2 3.27Å; N201-Q326 VanDerWaalsContact ND2-NE2 3.14Å; N201-Y475 HydrophobicContact CB-CE1 3.58Å; N201-Y475 WeakPolarHBondContact CB-OH 3.4Å; N201-V476 HydrophobicContact CB-CG2 4.32Å; N201-V476 WeakPolarHBondContact OD1-CG2 3.5Å
202	E	92.3	Very high	89.6	Confident	65 Å²	65	45.2 Å²	45.2	30%	0.304	22%	0.221	S	C	.	.	H	α-helix	trans	-63.5	-46.2	172.3	-167	-174	171.3	0	0	110.3	Q185 F186 D199 W204 L205 Q206	Q185-E202 PolarHBondContact NE2-OE1 3.48Å; F186-E202 HydrophobicContact CE1-CB 4.26Å; F186-E202 HydrophobicContact CE1-CG 4.13Å; F186-E202 HydrophobicContact CZ-CB 4.25Å; F186-E202 HydrophobicContact CZ-CG 3.9Å; D199-E202 HydrophobicContact CB-CB 4.05Å; D199-E202 PolarHBondContact O-N 3.41Å; E202-W204 VanDerWaalsContact C-N 3.32Å; E202-W204 PolarHBondContact O-N 3.12Å; E202-L205 PolarHBondContact O-N 3.49Å; E202-Q206 WeakPolarHBondContact O-CG 3.42Å; E202-Q206 PolarHBondContact O-N 3.41Å
203	C	94.3	Very high	89.9	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-57	-45.3	173.3	-177.2	0	0	0	0	111.6	Y115 F186 D199 A200 L205 Q206 M207	Y115-C203 HydrophobicContact CD2-CB 3.78Å; Y115-C203 HydrophobicContact CE2-CB 3.98Å; F186-C203 HydrophobicContact CZ-CB 4.3Å; D199-C203 PolarHBondContact O-N 3Å; D199-C203 VanDerWaalsContact O-N 3.1Å; A200-C203 PolarHBondContact O-N 3.26Å; C203-L205 PolarHBondContact O-N 2.98Å; C203-Q206 PolarHBondContact O-N 3.17Å; C203-M207 WeakPolarHBondContact O-CB 3.49Å; C203-M207 VanDerWaalsContact O-CG 3.27Å; C203-M207 WeakPolarHBondContact O-CG 3.49Å; C203-M207 PolarHBondContact O-N 2.93Å
204	W	94.9	Very high	90.2	Very high	4 Å²	4	41.5 Å²	41.5	2%	0.015	19%	0.19	C	C	.	.	H	α-helix	trans	-56.2	-50.7	175.4	-178.6	-78.2	0	0	0	112.1	T119 C122 L123 A200 N201 E202 M207 M208 T324 L478	T119-W204 HydrophobicContact CG2-CB 4.01Å; T119-W204 HydrophobicContact CG2-CD2 4.49Å; T119-W204 HydrophobicContact CG2-CE3 3.88Å; C122-W204 HydrophobicContact CB-CH2 4.33Å; C122-W204 HydrophobicContact CB-CZ3 3.61Å; L123-W204 HydrophobicContact CD2-CD2 4.34Å; L123-W204 HydrophobicContact CD2-CE3 4.15Å; L123-W204 HydrophobicContact CD2-CH2 3.29Å; L123-W204 HydrophobicContact CD2-CZ2 3.53Å; L123-W204 HydrophobicContact CD2-CZ3 3.62Å; L123-W204 HydrophobicContact CG-CE3 4.07Å; L123-W204 HydrophobicContact CG-CH2 3.86Å; L123-W204 HydrophobicContact CG-CZ2 4.45Å; L123-W204 HydrophobicContact CG-CZ3 3.64Å; A200-W204 WeakPolarHBondContact O-CB 3.46Å; A200-W204 PolarHBondContact O-N 3.16Å; N201-W204 WeakPolarHBondContact O-CB 3.43Å; N201-W204 PolarHBondContact O-N 3.06Å; E202-W204 VanDerWaalsContact C-N 3.32Å; E202-W204 PolarHBondContact O-N 3.12Å; W204-M207 PolarHBondContact O-N 3.3Å; W204-M208 WeakPolarHBondContact O-CG 3.41Å; W204-M208 PolarHBondContact O-N 2.86Å; W204-T324 HydrophobicContact CZ2-CG2 3.88Å; W204-L478 HydrophobicContact CH2-CD1 4.43Å; W204-L478 HydrophobicContact CH2-CD2 4.3Å; W204-L478 HydrophobicContact CZ2-CD1 4.41Å
205	L	93.1	Very high	90.1	Very high	70 Å²	70	36.9 Å²	36.9	37%	0.366	17%	0.169	S	C	.	.	H	α-helix	trans	-64.2	-42.5	-178.8	-71.7	172.4	0	0	0	112	N201 E202 C203 M208 R209	N201-L205 WeakPolarHBondContact ND2-CD1 3.37Å; N201-L205 VanDerWaalsContact O-CG 3.32Å; N201-L205 WeakPolarHBondContact O-CG 3.45Å; N201-L205 PolarHBondContact O-N 3.44Å; E202-L205 PolarHBondContact O-N 3.49Å; C203-L205 PolarHBondContact O-N 2.98Å; L205-M208 PolarHBondContact O-N 2.76Å; L205-R209 WeakPolarHBondContact O-CB 3.26Å; L205-R209 PolarHBondContact O-N 3.49Å
206	Q	92.4	Very high	89.8	Confident	34 Å²	34	41.8 Å²	41.8	16%	0.159	19%	0.194	C	C	.	.	H	α-helix	trans	-65.3	-41.2	176.7	-64.6	-55.5	-18.5	0	0	111.6	F183 F186 E202 C203 R209 V210	F183-Q206 HydrophobicContact CD1-CG 4.32Å; F183-Q206 HydrophobicContact CD2-CB 4.21Å; F183-Q206 HydrophobicContact CE1-CB 4.26Å; F183-Q206 HydrophobicContact CE1-CG 4.24Å; F183-Q206 HydrophobicContact CE2-CB 3.81Å; F183-Q206 HydrophobicContact CE2-CG 4.5Å; F183-Q206 HydrophobicContact CG-CG 4.48Å; F183-Q206 HydrophobicContact CZ-CB 3.84Å; F183-Q206 HydrophobicContact CZ-CG 4.33Å; F186-Q206 HydrophobicContact CE2-CB 4.5Å; F186-Q206 HydrophobicContact CE2-CG 4.19Å; F186-Q206 HydrophobicContact CZ-CG 4.23Å; E202-Q206 WeakPolarHBondContact O-CG 3.42Å; E202-Q206 PolarHBondContact O-N 3.41Å; C203-Q206 PolarHBondContact O-N 3.17Å; Q206-R209 PolarHBondContact O-N 2.95Å; Q206-V210 WeakPolarHBondContact O-CG2 3.34Å; Q206-V210 PolarHBondContact O-N 3.27Å
207	M	91.8	Very high	89.1	Confident	4 Å²	4	40.6 Å²	40.6	2%	0.02	19%	0.19	C	C	.	.	H	α-helix	trans	-61.2	-46.9	173.4	-73.6	-175.3	75.6	0	0	111.3	T119 V120 L123 L156 C203 W204 R209 V210 L211	T119-M207 HydrophobicContact CG2-SD 3.58Å; T119-M207 VanDerWaalsContact CG2-SD 3.58Å; V120-M207 HydrophobicContact CG2-CE 3.86Å; V120-M207 HydrophobicContact CG2-SD 4.16Å; L123-M207 HydrophobicContact CD1-CB 4.32Å; L123-M207 HydrophobicContact CD1-CE 3.78Å; L123-M207 HydrophobicContact CD1-SD 4.1Å; L156-M207 HydrophobicContact CD1-CE 3.76Å; L156-M207 HydrophobicContact CD2-CE 3.84Å; L156-M207 HydrophobicContact CG-CE 4.42Å; C203-M207 WeakPolarHBondContact O-CB 3.49Å; C203-M207 VanDerWaalsContact O-CG 3.27Å; C203-M207 WeakPolarHBondContact O-CG 3.49Å; C203-M207 PolarHBondContact O-N 2.93Å; W204-M207 PolarHBondContact O-N 3.3Å; M207-R209 VanDerWaalsContact C-N 3.33Å; M207-R209 PolarHBondContact O-N 3.15Å; M207-V210 PolarHBondContact O-N 3.38Å; M207-L211 VanDerWaalsContact O-CG 3.27Å; M207-L211 WeakPolarHBondContact O-CG 3.2Å; M207-L211 PolarHBondContact O-N 3.06Å
208	M	91.1	Very high	88.3	Confident	4 Å²	4	40.5 Å²	40.5	2%	0.02	19%	0.191	C	C	.	.	H	α-helix	trans	-61.5	-41.7	178.3	-72.5	-50.3	93	0	0	112	L123 W204 L205 V210 L211 Q212 I242	L123-M208 HydrophobicContact CD1-CE 3.31Å; L123-M208 HydrophobicContact CD2-CE 3.17Å; L123-M208 HydrophobicContact CD2-SD 3.89Å; L123-M208 HydrophobicContact CG-CE 3.84Å; W204-M208 WeakPolarHBondContact O-CG 3.41Å; W204-M208 PolarHBondContact O-N 2.86Å; L205-M208 PolarHBondContact O-N 2.76Å; M208-V210 VanDerWaalsContact C-N 3.34Å; M208-V210 PolarHBondContact O-N 3.49Å; M208-L211 HydrophobicContact CE-CD1 3.56Å; M208-L211 PolarHBondContact O-N 3.42Å; M208-Q212 VanDerWaalsContact O-CB 3.28Å; M208-Q212 WeakPolarHBondContact O-CB 3.46Å; M208-Q212 PolarHBondContact O-N 2.9Å; M208-I242 HydrophobicContact SD-CD1 4.13Å
209	R	91.1	Very high	86.9	Confident	145 Å²	145	45.6 Å²	45.6	55%	0.547	21%	0.214	S	C	.	.	H	α-helix	trans	-62.3	-41.6	176.9	-174.5	179.6	-176.5	179.4	1.7	112.1	L205 Q206 M207 Q212 Q213	L205-R209 WeakPolarHBondContact O-CB 3.26Å; L205-R209 PolarHBondContact O-N 3.49Å; Q206-R209 PolarHBondContact O-N 2.95Å; M207-R209 VanDerWaalsContact C-N 3.33Å; M207-R209 PolarHBondContact O-N 3.15Å; R209-Q212 PolarHBondContact O-N 3.25Å; R209-Q213 WeakPolarHBondContact O-CG 3.42Å; R209-Q213 PolarHBondContact O-N 2.85Å
210	V	90.7	Very high	85.1	Confident	5 Å²	5	47.2 Å²	47.2	3%	0.03	23%	0.227	C	C	.	.	H	α-helix	trans	-64	-46.1	176.2	160.6	0	0	0	0	111.1	A149 I152 T153 F183 Q206 M207 M208 Q212 Q213	A149-V210 HydrophobicContact CB-CB 4.48Å; A149-V210 HydrophobicContact CB-CG1 3.98Å; A149-V210 HydrophobicContact CB-CG2 4.4Å; A149-V210 WeakPolarHBondContact O-CG1 3.19Å; I152-V210 HydrophobicContact CB-CG1 3.92Å; I152-V210 HydrophobicContact CD1-CG2 4.28Å; I152-V210 HydrophobicContact CG2-CB 4.5Å; I152-V210 HydrophobicContact CG2-CG1 3.78Å; T153-V210 WeakPolarHBondContact OG1-CG1 3.5Å; F183-V210 HydrophobicContact CE2-CG2 4.18Å; F183-V210 HydrophobicContact CZ-CG2 3.84Å; Q206-V210 WeakPolarHBondContact O-CG2 3.34Å; Q206-V210 PolarHBondContact O-N 3.27Å; M207-V210 PolarHBondContact O-N 3.38Å; M208-V210 VanDerWaalsContact C-N 3.34Å; M208-V210 PolarHBondContact O-N 3.49Å; V210-Q212 VanDerWaalsContact C-N 3.33Å; V210-Q212 PolarHBondContact O-N 3.42Å; V210-Q213 PolarHBondContact O-N 3.35Å
211	L	88.8	Confident	82.7	Confident	2 Å²	2	54.3 Å²	54.3	1%	0.01	27%	0.27	C	S	.	.	H	α-helix	trans	-65.2	-37.8	178.9	-66.3	176.1	0	0	0	111.6	L129 L133 T153 L156 M207 M208 Q213 K214 L215 I242	L129-L211 HydrophobicContact CD1-CD1 4.08Å; L129-L211 HydrophobicContact CD2-CD1 4.37Å; L133-L211 HydrophobicContact CD2-CD2 4Å; T153-L211 HydrophobicContact CG2-CD2 3.9Å; L156-L211 HydrophobicContact CD2-CD1 4.14Å; L156-L211 HydrophobicContact CD2-CD2 4.14Å; M207-L211 VanDerWaalsContact O-CG 3.27Å; M207-L211 WeakPolarHBondContact O-CG 3.2Å; M207-L211 PolarHBondContact O-N 3.06Å; M208-L211 HydrophobicContact CE-CD1 3.56Å; M208-L211 PolarHBondContact O-N 3.42Å; L211-Q213 PolarHBondContact O-N 3.46Å; L211-K214 PolarHBondContact O-N 3.47Å; L211-K214 VanDerWaalsContact O-N 3.16Å; L211-L215 HydrophobicContact CB-CD1 3.98Å; L211-L215 HydrophobicContact CB-CG 4.38Å; L211-L215 HydrophobicContact CD2-CD1 4.14Å; L211-L215 HydrophobicContact CD2-CG 4.42Å; L211-L215 HydrophobicContact CG-CD1 4.5Å; L211-L215 WeakPolarHBondContact O-CB 3.32Å; L211-L215 WeakPolarHBondContact O-CG 3.41Å; L211-L215 PolarHBondContact O-N 3.26Å; L211-I242 HydrophobicContact CB-CD1 3.99Å; L211-I242 HydrophobicContact CB-CG1 3.92Å
212	Q	88.6	Confident	79.9	Confident	48 Å²	48	59.5 Å²	59.5	22%	0.224	30%	0.303	C	S	.	.	H	α-helix	trans	-59.5	-34	176.3	-172.6	-172.5	22.6	0	0	112.1	M208 R209 V210 N240 I242 D243	M208-Q212 VanDerWaalsContact O-CB 3.28Å; M208-Q212 WeakPolarHBondContact O-CB 3.46Å; M208-Q212 PolarHBondContact O-N 2.9Å; R209-Q212 PolarHBondContact O-N 3.25Å; V210-Q212 VanDerWaalsContact C-N 3.33Å; V210-Q212 PolarHBondContact O-N 3.42Å; Q212-N240 HydrophobicContact CG-CB 4.24Å; Q212-N240 WeakPolarHBondContact O-CB 3.44Å; Q212-N240 PolarHBondContact O-ND2 2.95Å; Q212-I242 HydrophobicContact CB-CB 3.97Å; Q212-I242 HydrophobicContact CB-CG1 4.17Å; Q212-I242 HydrophobicContact CB-CG2 4.25Å; Q212-I242 HydrophobicContact CG-CB 4.24Å; Q212-D243 VanDerWaalsContact NE2-CG 3.29Å; Q212-D243 PolarHBondContact NE2-OD1 2.91Å; Q212-D243 PolarHBondContact NE2-OD2 2.9Å; Q212-D243 VanDerWaalsContact NE2-OD2 3.1Å
213	Q	86.5	Confident	77.2	Confident	100 Å²	100	62.2 Å²	62.2	47%	0.467	33%	0.326	S	S	.	.	H	α-helix	trans	-76.6	-19.4	179.5	-70.1	174	16.4	0	0	114.2	A149 R209 V210 L211	A149-Q213 HydrophobicContact CB-CB 4.38Å; R209-Q213 WeakPolarHBondContact O-CG 3.42Å; R209-Q213 PolarHBondContact O-N 2.85Å; V210-Q213 PolarHBondContact O-N 3.35Å; L211-Q213 PolarHBondContact O-N 3.46Å
214	K	84.8	Confident	74.7	Confident	50 Å²	50	71.3 Å²	71.3	22%	0.217	37%	0.371	C	S	.	.	H	α-helix	trans	-122.5	-26.3	-167.5	-65.3	-62	-179.4	178.5	0	114.7	Y136 A149 T153 L211 E216	Y136-K214 HydrophobicContact CE2-CB 4.11Å; A149-K214 HydrophobicContact CB-CD 4.37Å; A149-K214 HydrophobicContact CB-CG 3.86Å; T153-K214 HydrophobicContact CG2-CB 4.31Å; L211-K214 PolarHBondContact O-N 3.47Å; L211-K214 VanDerWaalsContact O-N 3.16Å; K214-E216 PolarHBondContact O-N 2.91Å
215	L	83.5	Confident	71.8	Confident	5 Å²	5	79.6 Å²	79.6	3%	0.026	41%	0.409	C	S	.	.			trans	-84.2	113.5	179.3	-64.3	-177.6	0	0	0	110.3	L129 A132 L133 T153 L211 F241 I242	L129-L215 HydrophobicContact CD1-CD1 3.49Å; L129-L215 VanDerWaalsContact CD1-CD1 3.49Å; A132-L215 HydrophobicContact CB-CD1 4.29Å; A132-L215 HydrophobicContact CB-CD2 4.25Å; L133-L215 HydrophobicContact CD2-CD2 4.29Å; T153-L215 HydrophobicContact CG2-CD2 4.26Å; L211-L215 HydrophobicContact CB-CD1 3.98Å; L211-L215 HydrophobicContact CB-CG 4.38Å; L211-L215 HydrophobicContact CD2-CD1 4.14Å; L211-L215 HydrophobicContact CD2-CG 4.42Å; L211-L215 HydrophobicContact CG-CD1 4.5Å; L211-L215 WeakPolarHBondContact O-CB 3.32Å; L211-L215 WeakPolarHBondContact O-CG 3.41Å; L211-L215 PolarHBondContact O-N 3.26Å; L215-F241 HydrophobicContact CB-CB 3.71Å; L215-F241 HydrophobicContact CB-CD1 4.33Å; L215-F241 HydrophobicContact CB-CG 4.29Å; L215-F241 HydrophobicContact CD1-CD1 3.74Å; L215-F241 HydrophobicContact CD1-CE1 4.34Å; L215-F241 HydrophobicContact CD1-CG 4.43Å; L215-F241 PolarHBondContact O-N 2.92Å; L215-I242 HydrophobicContact CD1-CD1 4.45Å
216	E	80.1	Confident	68.8	Low	164 Å²	164	82.7 Å²	82.7	77%	0.766	43%	0.431	S	S	*	.			trans	-66.5	147.2	175.4	-65.2	-178.5	175.9	0	0	111.4	K214	K214-E216 PolarHBondContact O-N 2.91Å
217	P	75.1	Confident	66.1	Low	39 Å²	39	89.9 Å²	89.9	25%	0.253	47%	0.465	S	S	.	.			trans	-56.6	147.5	174.8	18.1	-27.7	0	0	0	112.7	E219 K239	P217-E219 PolarHBondContact O-N 3.33Å; P217-K239 VanDerWaalsContact CB-O 3.3Å; P217-K239 WeakPolarHBondContact CB-O 3.38Å
218	L	68.6	Low	63.2	Low	28 Å²	28	95.4 Å²	95.4	15%	0.147	50%	0.504	C	S	.	.			trans	-79.4	113.4	164.7	-71.8	170.4	0	0	0	107.9	F241 Q244 Y245 L409	L218-F241 HydrophobicContact CD1-CD2 4Å; L218-F241 HydrophobicContact CD1-CE2 3.68Å; L218-F241 HydrophobicContact CG-CD2 4.11Å; L218-F241 HydrophobicContact CG-CE2 4.3Å; L218-Q244 VanDerWaalsContact N-OE1 3.16Å; L218-Y245 HydrophobicContact CD1-CE2 3.85Å; L218-L409 HydrophobicContact CB-CD2 3.83Å
219	E	62	Low	60.3	Low	137 Å²	137	100 Å²	100	64%	0.64	54%	0.543	S	S	*	.			trans	-75.6	141.9	170	-66.3	-170.5	167.9	0	0	109.6	P217 V221	P217-E219 PolarHBondContact O-N 3.33Å; E219-V221 PolarHBondContact O-N 2.78Å
220	P	53.1	Low	57.7	Low	81 Å²	81	97.4 Å²	97.4	53%	0.526	56%	0.561	S	S	.	*			trans	-61.7	131.8	177.5	24.3	-31.4	0	0	0	109.9	T222 L409	P220-T222 PolarHBondContact O-N 3.44Å; P220-L409 HydrophobicContact CB-CD1 4.2Å
221	V	41	Very low	54.6	Low	149 Å²	149	100.4 Å²	100.4	90%	0.903	59%	0.593	S	S	*	*			trans	-70.3	84.3	173.1	-171.4	0	0	0	0	107.8	E219	E219-V221 PolarHBondContact O-N 2.78Å
222	T	34.3	Very low	52	Low	116 Å²	116	105.9 Å²	105.9	71%	0.712	64%	0.639	S	S	*	*			trans	-85.6	135.7	160.3	40.9	0	0	0	0	107.8	P220 M224	P220-T222 PolarHBondContact O-N 3.44Å; T222-M224 PolarHBondContact O-N 3.26Å
223	P	36	Very low	49.2	Very low	122 Å²	122	107.9 Å²	107.9	79%	0.792	66%	0.663	S	S	*	*			trans	-62.8	136.8	173.2	-5.6	19.5	0	0	0	108.6	E225	P223-E225 PolarHBondContact O-N 2.87Å; P223-E225 VanDerWaalsContact O-N 3.15Å
224	M	40.8	Very low	46.6	Very low	191 Å²	191	108.5 Å²	108.5	94%	0.941	68%	0.678	S	S	*	*			trans	-35.6	116.7	168.4	-82.1	170.4	130.7	0	0	112	T222	T222-M224 PolarHBondContact O-N 3.26Å
225	E	34.8	Very low	44.1	Very low	177 Å²	177	111.1 Å²	111.1	83%	0.827	71%	0.709	S	S	*	*			trans	-142.1	114.7	141.3	-72.8	-161.4	160.8	0	0	110.7	P223	P223-E225 PolarHBondContact O-N 2.87Å; P223-E225 VanDerWaalsContact O-N 3.15Å
226	T	30.1	Very low	42.2	Very low	135 Å²	135	115.6 Å²	115.6	83%	0.828	74%	0.741	S	S	*	*			trans	71.3	118.1	151.5	58.8	0	0	0	0	120.3
227	E	35.3	Very low	40.5	Very low	185 Å²	185	111.8 Å²	111.8	86%	0.864	74%	0.738	S	S	*	*			trans	-56.4	152.7	157.4	-63.3	-178.8	149	0	0	111.8
228	S	31.8	Very low	39.4	Very low	121 Å²	121	118 Å²	118	85%	0.846	76%	0.761	S	S	*	*			trans	84.5	106.6	165	78.4	0	0	0	0	118
229	A	30	Very low	39.3	Very low	100 Å²	100	120 Å²	120	83%	0.826	77%	0.769	S	S	*	*				169.3	136.8	107	0	0	0	0	0	109.4
230	G	35.5	Very low	40.3	Very low	90 Å²	90	116.4 Å²	116.4	93%	0.928	75%	0.753	S	S	*	*			trans	-59	135.6	-177.5	0	0	0	0	0	113.4
231	G	25.6	Very low	41.8	Very low	68 Å²	68	112.5 Å²	112.5	70%	0.701	73%	0.728	S	S	*	*			trans	-154	105	167.1	0	0	0	0	0	108.2	A233	G231-A233 VanDerWaalsContact C-N 3.34Å; G231-A233 PolarHBondContact O-N 3.29Å
232	A	34.9	Very low	44.1	Very low	118 Å²	118	105.4 Å²	105.4	98%	0.975	69%	0.685	S	S	*	*			trans	-63	95.6	170.3	0	0	0	0	0	109
233	A	29.7	Very low	46.6	Very low	90 Å²	90	101.7 Å²	101.7	74%	0.744	66%	0.661	S	S	*	*			trans	-130.8	103.5	171.2	0	0	0	0	0	108.2	G231	G231-A233 VanDerWaalsContact C-N 3.34Å; G231-A233 PolarHBondContact O-N 3.29Å
234	S	30.9	Very low	49	Very low	112 Å²	112	97.1 Å²	97.1	78%	0.783	63%	0.629	S	S	*	*			trans	39.7	93.9	161.5	-174.2	0	0	0	0	116.4	S236	S234-S236 PolarHBondContact O-N 3.24Å
235	A	33.8	Very low	51.4	Low	105 Å²	105	88.8 Å²	88.8	87%	0.868	59%	0.587	S	S	*	*			trans	-61.6	86.2	162.1	0	0	0	0	0	110.1	A237	A235-A237 PolarHBondContact O-N 3.44Å; A235-A237 VanDerWaalsContact O-N 3.15Å
236	S	42	Very low	54.1	Low	99 Å²	99	80.5 Å²	80.5	69%	0.692	55%	0.549	S	S	*	.			trans	-61.9	114.5	160.3	57.6	0	0	0	0	106.5	S234 K238	S234-S236 PolarHBondContact O-N 3.24Å; S236-K238 PolarHBondContact O-N 3.39Å; S236-K238 VanDerWaalsContact O-N 3.08Å
237	A	45.7	Very low	57	Low	84 Å²	84	74.4 Å²	74.4	69%	0.694	51%	0.512	S	S	*	.			trans	-43.1	118.9	-178.4	0	0	0	0	0	110.3	A235 K239	A235-A237 PolarHBondContact O-N 3.44Å; A235-A237 VanDerWaalsContact O-N 3.15Å; A237-K239 PolarHBondContact O-N 2.9Å
238	K	51.6	Low	59.7	Low	170 Å²	170	65.6 Å²	65.6	74%	0.739	47%	0.471	S	S	*	.			trans	-57.1	101.8	177.9	-70.8	-170.3	177.4	-159.6	0	108.1	S236	S236-K238 PolarHBondContact O-N 3.39Å; S236-K238 VanDerWaalsContact O-N 3.08Å
239	K	66.6	Low	62.5	Low	71 Å²	71	62.4 Å²	62.4	31%	0.309	44%	0.443	S	S	.	.			trans	-71.7	136.2	178.1	-65.4	-173.4	-172.6	177.5	0	108.3	P217 A237 D243 Q244 E249	P217-K239 VanDerWaalsContact CB-O 3.3Å; P217-K239 WeakPolarHBondContact CB-O 3.38Å; A237-K239 PolarHBondContact O-N 2.9Å; K239-D243 HydrophobicContact CB-CB 3.97Å; K239-Q244 HydrophobicContact CB-CG 4.01Å; K239-E249 IonicContact NZ-OE1 2.89Å; K239-E249 PolarHBondContact NZ-OE1 3.49Å
240	N	82	Confident	65.5	Low	60 Å²	60	58.1 Å²	58.1	32%	0.321	41%	0.405	S	S	.	.			trans	-66.7	164.8	176	-54.8	-56.4	0	0	0	110.5	Q212 I242 D243 Q244	Q212-N240 HydrophobicContact CG-CB 4.24Å; Q212-N240 WeakPolarHBondContact O-CB 3.44Å; Q212-N240 PolarHBondContact O-ND2 2.95Å; N240-I242 PolarHBondContact O-N 3.19Å; N240-D243 PolarHBondContact ND2-OD2 3.48Å; N240-D243 WeakPolarHBondContact O-CB 3.33Å; N240-D243 PolarHBondContact O-N 3.45Å; N240-Q244 WeakPolarHBondContact O-CG 3.48Å; N240-Q244 PolarHBondContact O-N 2.8Å
241	F	86.4	Confident	68.2	Low	0 Å²	0	56.6 Å²	56.6	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-51.8	-43.8	178.8	174	-95.1	0	0	0	112.9	E128 L129 A132 L215 L218 D243 Q244 Y245	E128-F241 HydrophobicContact CB-CE2 4.22Å; E128-F241 HydrophobicContact CB-CZ 3.98Å; L129-F241 HydrophobicContact CB-CE1 4.1Å; L129-F241 HydrophobicContact CB-CZ 4.34Å; L129-F241 HydrophobicContact CD1-CD1 4.34Å; L129-F241 HydrophobicContact CD1-CE1 3.78Å; A132-F241 HydrophobicContact CB-CD1 4.39Å; A132-F241 HydrophobicContact CB-CD2 4.14Å; A132-F241 HydrophobicContact CB-CE1 4.33Å; A132-F241 HydrophobicContact CB-CE2 4.06Å; A132-F241 HydrophobicContact CB-CG 4.31Å; A132-F241 HydrophobicContact CB-CZ 4.18Å; L215-F241 HydrophobicContact CB-CB 3.71Å; L215-F241 HydrophobicContact CB-CD1 4.33Å; L215-F241 HydrophobicContact CB-CG 4.29Å; L215-F241 HydrophobicContact CD1-CD1 3.74Å; L215-F241 HydrophobicContact CD1-CE1 4.34Å; L215-F241 HydrophobicContact CD1-CG 4.43Å; L215-F241 PolarHBondContact O-N 2.92Å; L218-F241 HydrophobicContact CD1-CD2 4Å; L218-F241 HydrophobicContact CD1-CE2 3.68Å; L218-F241 HydrophobicContact CG-CD2 4.11Å; L218-F241 HydrophobicContact CG-CE2 4.3Å; F241-D243 PolarHBondContact O-N 3.27Å; F241-Q244 WeakPolarHBondContact O-CB 3.47Å; F241-Q244 PolarHBondContact O-N 2.79Å; F241-Y245 AromaticContact CD2-CD2 3.74Å; F241-Y245 HydrophobicContact CD2-CD2 3.74Å; F241-Y245 AromaticContact CD2-CE2 3.9Å; F241-Y245 HydrophobicContact CD2-CE2 3.9Å; F241-Y245 AromaticContact CE2-CD2 3.43Å; F241-Y245 HydrophobicContact CE2-CD2 3.43Å; F241-Y245 VanDerWaalsContact CE2-CD2 3.43Å; F241-Y245 AromaticContact CE2-CE2 3.51Å; F241-Y245 HydrophobicContact CE2-CE2 3.51Å; F241-Y245 HydrophobicContact CE2-CG 4.13Å; F241-Y245 HydrophobicContact CG-CD2 4.43Å; F241-Y245 AromaticContact CZ-CD2 3.87Å; F241-Y245 HydrophobicContact CZ-CD2 3.87Å; F241-Y245 HydrophobicContact CZ-CE2 4.29Å; F241-Y245 HydrophobicContact CZ-CG 4.13Å; F241-Y245 PolarHBondContact O-N 3.24Å
242	I	87.9	Confident	71.4	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-65.4	-40.6	179.4	-62.9	-62.3	0	0	0	111.2	L129 M208 L211 Q212 L215 N240 Q244 Y245 F246 G247 L272	L129-I242 HydrophobicContact CD1-CD1 4.41Å; M208-I242 HydrophobicContact SD-CD1 4.13Å; L211-I242 HydrophobicContact CB-CD1 3.99Å; L211-I242 HydrophobicContact CB-CG1 3.92Å; Q212-I242 HydrophobicContact CB-CB 3.97Å; Q212-I242 HydrophobicContact CB-CG1 4.17Å; Q212-I242 HydrophobicContact CB-CG2 4.25Å; Q212-I242 HydrophobicContact CG-CB 4.24Å; L215-I242 HydrophobicContact CD1-CD1 4.45Å; N240-I242 PolarHBondContact O-N 3.19Å; I242-Q244 VanDerWaalsContact C-N 3.28Å; I242-Q244 PolarHBondContact O-N 2.83Å; I242-Y245 PolarHBondContact O-N 2.88Å; I242-F246 HydrophobicContact CD1-CD2 4.11Å; I242-F246 HydrophobicContact CD1-CE2 4.16Å; I242-F246 HydrophobicContact CG2-CB 4.38Å; I242-F246 HydrophobicContact CG2-CD2 4.45Å; I242-F246 WeakPolarHBondContact O-CA 3.47Å; I242-F246 WeakPolarHBondContact O-CB 3.38Å; I242-F246 PolarHBondContact O-N 3.32Å; I242-G247 PolarHBondContact O-N 3.39Å; I242-L272 HydrophobicContact CG2-CD1 3.84Å; I242-L272 HydrophobicContact CG2-CD2 3.83Å; I242-L272 HydrophobicContact CG2-CG 4.46Å
243	D	87.7	Confident	74	Confident	37 Å²	37	50.5 Å²	50.5	20%	0.198	31%	0.313	C	S	.	.	H	α-helix	trans	-67.3	-31.5	176.3	-63.1	-48.6	0	0	0	111.9	Q212 K239 N240 F241 G247 R318	Q212-D243 VanDerWaalsContact NE2-CG 3.29Å; Q212-D243 PolarHBondContact NE2-OD1 2.91Å; Q212-D243 PolarHBondContact NE2-OD2 2.9Å; Q212-D243 VanDerWaalsContact NE2-OD2 3.1Å; K239-D243 HydrophobicContact CB-CB 3.97Å; N240-D243 PolarHBondContact ND2-OD2 3.48Å; N240-D243 WeakPolarHBondContact O-CB 3.33Å; N240-D243 PolarHBondContact O-N 3.45Å; F241-D243 PolarHBondContact O-N 3.27Å; D243-G247 WeakPolarHBondContact O-CA 3.45Å; D243-G247 PolarHBondContact O-N 2.79Å; D243-R318 PolarHBondContact O-NH1 3.15Å
244	Q	86.8	Confident	76.9	Confident	26 Å²	26	47.2 Å²	47.2	12%	0.121	28%	0.283	C	S	.	.	H	α-helix	trans	-67	-50.7	175.3	-72.3	-180	-21.7	0	0	111.7	L218 K239 N240 F241 I242 R318 G410	L218-Q244 VanDerWaalsContact N-OE1 3.16Å; K239-Q244 HydrophobicContact CB-CG 4.01Å; N240-Q244 WeakPolarHBondContact O-CG 3.48Å; N240-Q244 PolarHBondContact O-N 2.8Å; F241-Q244 WeakPolarHBondContact O-CB 3.47Å; F241-Q244 PolarHBondContact O-N 2.79Å; I242-Q244 VanDerWaalsContact C-N 3.28Å; I242-Q244 PolarHBondContact O-N 2.83Å; Q244-R318 PolarHBondContact O-NH2 2.92Å; Q244-R318 VanDerWaalsContact O-NH2 3.11Å; Q244-G410 CarbonylContact O-C 3.56Å
245	Y	90.1	Very high	79.7	Confident	16 Å²	16	47.6 Å²	47.6	6%	0.063	27%	0.27	C	S	.	.	H	α-helix	trans	-96.8	-20.5	-168.2	-81.3	-92.6	0	0	0	115.8	E128 L218 F241 I242 P320 A321 Y322 L409	E128-Y245 HydrophobicContact CB-CD1 4.37Å; E128-Y245 HydrophobicContact CB-CE1 3.96Å; E128-Y245 HydrophobicContact CG-CD1 4.47Å; E128-Y245 HydrophobicContact CG-CE1 3.71Å; L218-Y245 HydrophobicContact CD1-CE2 3.85Å; F241-Y245 AromaticContact CD2-CD2 3.74Å; F241-Y245 HydrophobicContact CD2-CD2 3.74Å; F241-Y245 AromaticContact CD2-CE2 3.9Å; F241-Y245 HydrophobicContact CD2-CE2 3.9Å; F241-Y245 AromaticContact CE2-CD2 3.43Å; F241-Y245 HydrophobicContact CE2-CD2 3.43Å; F241-Y245 VanDerWaalsContact CE2-CD2 3.43Å; F241-Y245 AromaticContact CE2-CE2 3.51Å; F241-Y245 HydrophobicContact CE2-CE2 3.51Å; F241-Y245 HydrophobicContact CE2-CG 4.13Å; F241-Y245 HydrophobicContact CG-CD2 4.43Å; F241-Y245 AromaticContact CZ-CD2 3.87Å; F241-Y245 HydrophobicContact CZ-CD2 3.87Å; F241-Y245 HydrophobicContact CZ-CE2 4.29Å; F241-Y245 HydrophobicContact CZ-CG 4.13Å; F241-Y245 PolarHBondContact O-N 3.24Å; I242-Y245 PolarHBondContact O-N 2.88Å; Y245-P320 VanDerWaalsContact O-CB 3.28Å; Y245-P320 WeakPolarHBondContact O-CB 3.45Å; Y245-A321 HydrophobicContact CD1-CB 4.03Å; Y245-A321 PolarHBondContact O-N 2.96Å; Y245-Y322 HydrophobicContact CD1-CD2 4.03Å; Y245-Y322 HydrophobicContact CD1-CE2 4.04Å; Y245-Y322 PolarHBondContact O-N 3.13Å; Y245-L409 HydrophobicContact CE2-CD2 3.8Å; Y245-L409 VanDerWaalsContact OH-CD2 3.29Å; Y245-L409 WeakPolarHBondContact OH-CD2 3.33Å
246	F	91.9	Very high	82.2	Confident	4 Å²	4	43.3 Å²	43.3	2%	0.018	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.5	-11.8	-179.6	-63.8	-96.3	0	0	0	113.1	V126 I242 V248 L272 Y322 L478	V126-F246 HydrophobicContact CG1-CZ 4.18Å; V126-F246 HydrophobicContact CG2-CZ 4.06Å; I242-F246 HydrophobicContact CD1-CD2 4.11Å; I242-F246 HydrophobicContact CD1-CE2 4.16Å; I242-F246 HydrophobicContact CG2-CB 4.38Å; I242-F246 HydrophobicContact CG2-CD2 4.45Å; I242-F246 WeakPolarHBondContact O-CA 3.47Å; I242-F246 WeakPolarHBondContact O-CB 3.38Å; I242-F246 PolarHBondContact O-N 3.32Å; F246-V248 PolarHBondContact O-N 3.35Å; F246-L272 HydrophobicContact CB-CD2 4.34Å; F246-Y322 HydrophobicContact CE1-CG 4.34Å; F246-Y322 HydrophobicContact CZ-CG 4.35Å; F246-L478 HydrophobicContact CE1-CD1 4.01Å
247	G	90.7	Very high	84.3	Confident	6 Å²	6	42 Å²	42	6%	0.062	22%	0.222	C	C	.	.			trans	-72.2	117	-178.3	0	0	0	0	0	113.4	I242 D243 R318	I242-G247 PolarHBondContact O-N 3.39Å; D243-G247 WeakPolarHBondContact O-CA 3.45Å; D243-G247 PolarHBondContact O-N 2.79Å; G247-R318 PolarHBondContact O-NH1 3.14Å
248	V	91.3	Very high	86.1	Confident	1 Å²	1	42 Å²	42	1%	0.006	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	135.2	169.5	-174.2	0	0	0	0	109.1	F246 F250 S270 Q271 L274 L316 P320 L323	F246-V248 PolarHBondContact O-N 3.35Å; V248-F250 HydrophobicContact CB-CE2 4.19Å; V248-F250 HydrophobicContact CG1-CD2 4.32Å; V248-F250 HydrophobicContact CG1-CE1 4.33Å; V248-F250 HydrophobicContact CG1-CE2 3.77Å; V248-F250 HydrophobicContact CG1-CZ 3.81Å; V248-S270 CarbonylContact O-C 3.57Å; V248-S270 VanDerWaalsContact O-CA 3.28Å; V248-S270 WeakPolarHBondContact O-CA 3.36Å; V248-Q271 WeakPolarHBondContact CB-O 3.39Å; V248-Q271 PolarHBondContact N-O 3.37Å; V248-Q271 PolarHBondContact O-N 3.24Å; V248-L274 HydrophobicContact CG1-CD2 4.26Å; V248-L274 HydrophobicContact CG2-CD2 4.32Å; V248-L316 HydrophobicContact CG1-CD2 3.22Å; V248-P320 HydrophobicContact CG2-CG 3.64Å; V248-L323 HydrophobicContact CG2-CD1 3.64Å
249	E	92.1	Very high	87.2	Confident	53 Å²	53	34.8 Å²	34.8	25%	0.248	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	140.9	170.2	-59.3	178	-173.3	0	0	110.5	K239 E269 S317 R318	K239-E249 IonicContact NZ-OE1 2.89Å; K239-E249 PolarHBondContact NZ-OE1 3.49Å; E249-E269 CarbonylContact C-O 3.33Å; E249-E269 WeakPolarHBondContact CA-O 3.47Å; E249-S317 VanDerWaalsContact C-OG 3.23Å; E249-S317 VanDerWaalsContact CB-OG 3.31Å; E249-S317 WeakPolarHBondContact CB-OG 3.47Å; E249-S317 PolarHBondContact O-N 3.2Å; E249-S317 PolarHBondContact O-OG 2.85Å; E249-S317 VanDerWaalsContact O-OG 3.11Å; E249-R318 HydrophobicContact CB-CB 3.74Å; E249-R318 HydrophobicContact CG-CB 3.96Å; E249-R318 PolarHBondContact N-O 2.94Å; E249-R318 PolarHBondContact O-N 2.89Å
250	F	91.5	Very high	87.5	Confident	10 Å²	10	41.1 Å²	41.1	4%	0.044	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	139.5	177.4	-57.9	-95	0	0	0	109.7	V248 T252 K268 E269 Q271 L274 L293 K315 L316	V248-F250 HydrophobicContact CB-CE2 4.19Å; V248-F250 HydrophobicContact CG1-CD2 4.32Å; V248-F250 HydrophobicContact CG1-CE1 4.33Å; V248-F250 HydrophobicContact CG1-CE2 3.77Å; V248-F250 HydrophobicContact CG1-CZ 3.81Å; F250-T252 HydrophobicContact CB-CG2 4.26Å; F250-K268 VanDerWaalsContact O-CA 3.27Å; F250-K268 WeakPolarHBondContact O-CA 3.46Å; F250-E269 HydrophobicContact CB-CB 4.45Å; F250-E269 PolarHBondContact N-O 2.85Å; F250-E269 PolarHBondContact O-N 3.13Å; F250-Q271 HydrophobicContact CE2-CB 4Å; F250-Q271 HydrophobicContact CE2-CG 3.95Å; F250-L274 HydrophobicContact CE1-CD2 4.05Å; F250-L274 HydrophobicContact CE2-CD2 4.38Å; F250-L274 HydrophobicContact CZ-CD2 3.39Å; F250-L293 HydrophobicContact CD1-CD2 4.12Å; F250-L293 HydrophobicContact CE1-CD2 3.83Å; F250-K315 CarbonylContact C-O 3.54Å; F250-K315 VanDerWaalsContact CA-O 3.26Å; F250-K315 WeakPolarHBondContact CA-O 3.38Å; F250-L316 HydrophobicContact CD1-CD2 3.72Å; F250-L316 HydrophobicContact CD1-CG 4.46Å; F250-L316 HydrophobicContact CE1-CD2 3.36Å; F250-L316 HydrophobicContact CE1-CG 4.32Å; F250-L316 HydrophobicContact CZ-CD2 3.93Å
251	E	92.8	Very high	87	Confident	59 Å²	59	47 Å²	47	28%	0.276	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	121.1	159.3	-170.6	176.5	-177.1	0	0	108.1	S314 K315 T359	E251-S314 WeakPolarHBondContact O-CA 3.2Å; E251-K315 PolarHBondContact N-O 3.15Å; E251-K315 PolarHBondContact O-N 2.8Å; E251-T359 HydrophobicContact CB-CG2 4.15Å
252	T	91.9	Very high	86.6	Confident	11 Å²	11	48.4 Å²	48.4	7%	0.067	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	135.8	-178.3	66.5	0	0	0	0	109.3	F250 K266 G267 E269 S313	F250-T252 HydrophobicContact CB-CG2 4.26Å; T252-K266 CarbonylContact O-C 3.38Å; T252-K266 VanDerWaalsContact O-CA 3.28Å; T252-K266 WeakPolarHBondContact O-CA 3.49Å; T252-G267 PolarHBondContact N-O 3.36Å; T252-G267 PolarHBondContact O-N 2.62Å; T252-G267 WeakPolarHBondContact OG1-CA 3.36Å; T252-G267 PolarHBondContact OG1-O 2.98Å; T252-E269 HydrophobicContact CG2-CB 4.45Å; T252-E269 HydrophobicContact CG2-CG 4.09Å; T252-S313 CarbonylContact C-O 3.46Å; T252-S313 WeakPolarHBondContact CA-O 3.38Å
253	S	91.3	Very high	86.1	Confident	47 Å²	47	57 Å²	57	33%	0.329	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	122	172.8	64.2	0	0	0	0	108.4	I265 S313	S253-I265 WeakPolarHBondContact CA-O 3.47Å; S253-S313 PolarHBondContact N-O 3.47Å; S253-S313 PolarHBondContact O-N 2.83Å; S253-S313 PolarHBondContact OG-O 2.8Å
254	M	89.6	Confident	86	Confident	21 Å²	21	58.7 Å²	58.7	10%	0.103	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	120.8	-179.8	-169.1	175.1	70.1	0	0	109.4	P264 I265 K299 Y310 I311	M254-P264 CarbonylContact O-C 3.5Å; M254-P264 VanDerWaalsContact O-CA 3.27Å; M254-P264 WeakPolarHBondContact O-CA 3.45Å; M254-I265 HydrophobicContact CB-CB 4.44Å; M254-I265 HydrophobicContact CE-CB 4.34Å; M254-I265 HydrophobicContact CE-CD1 3.58Å; M254-I265 HydrophobicContact CE-CG1 4.48Å; M254-I265 PolarHBondContact N-O 3.47Å; M254-I265 PolarHBondContact O-N 3.43Å; M254-K299 HydrophobicContact CE-CD 4Å; M254-K299 HydrophobicContact SD-CD 3.93Å; M254-K299 PolarHBondContact SD-NZ 3.04Å; M254-Y310 HydrophobicContact CE-CD1 4.12Å; M254-Y310 HydrophobicContact CG-CD1 3.89Å; M254-Y310 HydrophobicContact CG-CG 4.2Å; M254-Y310 HydrophobicContact SD-CD1 4.35Å; M254-Y310 HydrophobicContact SD-CG 4.38Å; M254-I311 WeakPolarHBondContact CA-O 3.32Å
255	K	90.4	Very high	86	Confident	120 Å²	120	62.3 Å²	62.3	52%	0.522	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	139.9	178.9	61.6	175.9	-176.8	172.4	0	110.9	Y310 I311	K255-Y310 CarbonylContact O-C 3.5Å; K255-Y310 VanDerWaalsContact O-CA 3.3Å; K255-Y310 WeakPolarHBondContact O-CA 3.26Å; K255-I311 HydrophobicContact CG-CB 4.23Å; K255-I311 PolarHBondContact N-O 3.06Å; K255-I311 PolarHBondContact O-N 3.39Å
256	C	85.8	Confident	86	Confident	14 Å²	14	68.7 Å²	68.7	10%	0.095	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	136.7	171.4	-169.8	0	0	0	0	108.9	E262 Y310	C256-E262 HydrophobicContact CB-CB 4.3Å; C256-Y310 HydrophobicContact CB-CD1 3.98Å; C256-Y310 HydrophobicContact CB-CE1 3.6Å
257	T	86.9	Confident	86	Confident	72 Å²	72	69.8 Å²	69.8	44%	0.442	35%	0.354	S	S	.	.	S	Bend	trans	-86.4	-21.1	174.3	48.7	0	0	0	0	113.1	L309 I311	T257-L309 HydrophobicContact CG2-CD2 4.02Å; T257-L309 PolarHBondContact N-O 3.27Å; T257-L309 PolarHBondContact OG1-O 3.06Å; T257-I311 HydrophobicContact CG2-CB 4.44Å; T257-I311 HydrophobicContact CG2-CD1 3.28Å; T257-I311 HydrophobicContact CG2-CG1 3.51Å
258	E	83.5	Confident	85.9	Confident	85 Å²	85	77.5 Å²	77.5	40%	0.397	39%	0.386	S	S	.	.	S	Bend	trans	-96	-19.9	-173.7	-66.1	177.6	-131.2	0	0	113.1	L304 R306 A308 L309	E258-L304 HydrophobicContact CB-CD1 3.88Å; E258-R306 IonicContact OE2-CZ 2.61Å; E258-R306 IonicContact OE2-NE 3.21Å; E258-R306 IonicContact OE2-NH2 3.49Å; E258-R306 PolarHBondContact OE2-NH2 3.02Å; E258-A308 WeakPolarHBondContact OE1-CA 3.31Å; E258-L309 PolarHBondContact OE1-N 3.44Å
259	S	74.1	Confident	85.9	Confident	18 Å²	18	81 Å²	81	13%	0.126	40%	0.402	C	S	.	.			trans	-129.8	117.5	179.1	-61.7	0	0	0	0	110.1	E261 L304	S259-E261 VanDerWaalsContact C-N 3.32Å; S259-L304 VanDerWaalsContact OG-CD1 3.26Å; S259-L304 WeakPolarHBondContact OG-CD1 3.37Å; S259-L304 VanDerWaalsContact OG-CG 3.31Å; S259-L304 WeakPolarHBondContact OG-CG 3.49Å
260	E	72.3	Confident	85.8	Confident	203 Å²	203	83 Å²	83	95%	0.949	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-15.2	176.3	-163	166.1	-165.5	0	0	112.6	E262	E260-E262 VanDerWaalsContact C-N 3.35Å
261	E	72.3	Confident	85.7	Confident	183 Å²	183	85.5 Å²	85.5	86%	0.855	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-11.4	179.4	-66.2	-175.6	160.6	0	0	114	S259	S259-E261 VanDerWaalsContact C-N 3.32Å
262	E	76.9	Confident	85.7	Confident	31 Å²	31	84.5 Å²	84.5	15%	0.145	43%	0.43	C	S	.	.	S	Bend	trans	-82.9	119.3	179	-69.7	-174.1	-131.1	0	0	111.3	C256 E260 S301 T303 Y310	C256-E262 HydrophobicContact CB-CB 4.3Å; E260-E262 VanDerWaalsContact C-N 3.35Å; E262-S301 PolarHBondContact OE1-OG 2.87Å; E262-T303 WeakPolarHBondContact CG-OG1 3.37Å; E262-Y310 PolarHBondContact OE1-OH 3.2Å; E262-Y310 PolarHBondContact OE2-OH 2.77Å
263	E	79.2	Confident	85.7	Confident	179 Å²	179	84.7 Å²	84.7	84%	0.836	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-61.2	139.5	175.6	-69.7	-165.8	162.5	0	0	111.6	I265	E263-I265 PolarHBondContact O-N 3.21Å
264	P	84.1	Confident	85.7	Confident	74 Å²	74	83 Å²	83	48%	0.481	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-68.3	123.6	-178	26.6	-33.2	0	0	0	111	M254 K266	M254-P264 CarbonylContact O-C 3.5Å; M254-P264 VanDerWaalsContact O-CA 3.27Å; M254-P264 WeakPolarHBondContact O-CA 3.45Å; P264-K266 PolarHBondContact O-N 3.06Å
265	I	86.9	Confident	85.8	Confident	101 Å²	101	83.1 Å²	83.1	52%	0.518	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	117.3	177.3	-61	164.3	0	0	0	108.2	S253 M254 E263	S253-I265 WeakPolarHBondContact CA-O 3.47Å; M254-I265 HydrophobicContact CB-CB 4.44Å; M254-I265 HydrophobicContact CE-CB 4.34Å; M254-I265 HydrophobicContact CE-CD1 3.58Å; M254-I265 HydrophobicContact CE-CG1 4.48Å; M254-I265 PolarHBondContact N-O 3.47Å; M254-I265 PolarHBondContact O-N 3.43Å; E263-I265 PolarHBondContact O-N 3.21Å
266	K	91.2	Very high	85.9	Confident	150 Å²	150	77.4 Å²	77.4	65%	0.652	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.8	140.7	175.4	-62.6	-173.3	-178.3	-174.3	0	111.2	T252 P264	T252-K266 CarbonylContact O-C 3.38Å; T252-K266 VanDerWaalsContact O-CA 3.28Å; T252-K266 WeakPolarHBondContact O-CA 3.49Å; P264-K266 PolarHBondContact O-N 3.06Å
267	G	90.1	Very high	86	Confident	27 Å²	27	80.6 Å²	80.6	28%	0.278	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	166.2	176.9	0	0	0	0	0	112	T252	T252-G267 PolarHBondContact N-O 3.36Å; T252-G267 PolarHBondContact O-N 2.62Å; T252-G267 WeakPolarHBondContact OG1-CA 3.36Å; T252-G267 PolarHBondContact OG1-O 2.98Å
268	K	90.3	Very high	86.1	Confident	169 Å²	169	78.2 Å²	78.2	74%	0.735	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.1	135.5	169.6	-68.2	-172.7	178.8	-173.2	0	109.5	F250	F250-K268 VanDerWaalsContact O-CA 3.27Å; F250-K268 WeakPolarHBondContact O-CA 3.46Å
269	E	90	Very high	86	Confident	73 Å²	73	78.7 Å²	78.7	34%	0.341	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	149	179.1	-66.4	178.1	-173.6	0	0	109.5	E249 F250 T252 K312	E249-E269 CarbonylContact C-O 3.33Å; E249-E269 WeakPolarHBondContact CA-O 3.47Å; F250-E269 HydrophobicContact CB-CB 4.45Å; F250-E269 PolarHBondContact N-O 2.85Å; F250-E269 PolarHBondContact O-N 3.13Å; T252-E269 HydrophobicContact CG2-CB 4.45Å; T252-E269 HydrophobicContact CG2-CG 4.09Å; E269-K312 WeakPolarHBondContact OE1-CE 3.43Å; E269-K312 IonicContact OE1-NZ 3.26Å; E269-K312 PolarHBondContact OE1-NZ 3.04Å; E269-K312 IonicContact OE2-NZ 2.98Å; E269-K312 PolarHBondContact OE2-NZ 2.71Å
270	S	90	Very high	86.2	Confident	95 Å²	95	86.2 Å²	86.2	66%	0.664	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.4	136.7	178.5	60.2	0	0	0	0	110.9	V248	V248-S270 CarbonylContact O-C 3.57Å; V248-S270 VanDerWaalsContact O-CA 3.28Å; V248-S270 WeakPolarHBondContact O-CA 3.36Å
271	Q	90.4	Very high	86.7	Confident	64 Å²	64	84.1 Å²	84.1	30%	0.299	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	152.8	176.6	-58.7	179.7	-17.1	0	0	110.6	V248 F250	V248-Q271 WeakPolarHBondContact CB-O 3.39Å; V248-Q271 PolarHBondContact N-O 3.37Å; V248-Q271 PolarHBondContact O-N 3.24Å; F250-Q271 HydrophobicContact CE2-CB 4Å; F250-Q271 HydrophobicContact CE2-CG 3.95Å
272	L	91.8	Very high	87.5	Confident	37 Å²	37	75.4 Å²	75.4	19%	0.194	38%	0.38	C	S	.	.	S	Bend	trans	-93.6	-11.4	175.8	-62.8	177.2	0	0	0	113.1	I242 F246	I242-L272 HydrophobicContact CG2-CD1 3.84Å; I242-L272 HydrophobicContact CG2-CD2 3.83Å; I242-L272 HydrophobicContact CG2-CG 4.46Å; F246-L272 HydrophobicContact CB-CD2 4.34Å
273	Q	92.4	Very high	88.1	Confident	16 Å²	16	80.7 Å²	80.7	8%	0.075	40%	0.402	C	S	.	.	S	Bend	trans	-146.4	132.4	-172.8	-172.4	175	55.1	0	0	109.9	N201 T324 Q326	N201-Q273 PolarHBondContact ND2-OE1 2.98Å; N201-Q273 PolarHBondContact OD1-NE2 3.01Å; N201-Q273 PolarHBondContact OD1-OE1 3.29Å; Q273-T324 WeakPolarHBondContact CA-O 3.39Å; Q273-T324 HydrophobicContact CG-CG2 3.95Å; Q273-Q326 HydrophobicContact CG-CB 3.94Å
274	L	91.9	Very high	88.7	Confident	12 Å²	12	78.5 Å²	78.5	6%	0.063	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	129.2	172.9	-65	-172.2	0	0	0	110.4	V248 F250 L289 L323 T324 V325 Q326	V248-L274 HydrophobicContact CG1-CD2 4.26Å; V248-L274 HydrophobicContact CG2-CD2 4.32Å; F250-L274 HydrophobicContact CE1-CD2 4.05Å; F250-L274 HydrophobicContact CE2-CD2 4.38Å; F250-L274 HydrophobicContact CZ-CD2 3.39Å; L274-L289 HydrophobicContact CB-CD2 4.11Å; L274-L289 HydrophobicContact CD1-CD2 4.22Å; L274-L323 HydrophobicContact CD1-CD1 3.7Å; L274-L323 HydrophobicContact CD1-CD2 3.94Å; L274-L323 HydrophobicContact CD1-CG 4.09Å; L274-L323 HydrophobicContact CG-CD1 3.9Å; L274-T324 PolarHBondContact N-O 2.79Å; L274-V325 HydrophobicContact CB-CG2 4.34Å; L274-V325 CarbonylContact O-C 3.57Å; L274-V325 WeakPolarHBondContact O-CA 3.48Å; L274-Q326 PolarHBondContact O-N 3.43Å
275	S	91.9	Very high	89.1	Confident	22 Å²	22	75 Å²	75	15%	0.154	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	118.5	173.2	-55	0	0	0	0	110.7	R292	S275-R292 WeakPolarHBondContact O-CB 3.24Å
276	C	91.3	Very high	89.1	Confident	0 Å²	0	72.4 Å²	72.4	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	109.3	169	172.8	0	0	0	0	109.4	L285 L289 V325 Q326 V328	C276-L285 HydrophobicContact CB-CD1 3.87Å; C276-L289 HydrophobicContact CB-CD2 4.19Å; C276-V325 HydrophobicContact CB-CG1 3.96Å; C276-Q326 PolarHBondContact N-O 2.8Å; C276-V328 PolarHBondContact O-N 2.84Å
277	F	88.6	Confident	89.1	Confident	81 Å²	81	67.6 Å²	67.6	36%	0.355	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	130.1	175.9	-75.5	-101	0	0	0	110.2	G288 R292	F277-G288 WeakPolarHBondContact O-CA 3.32Å; F277-R292 HydrophobicContact CD2-CB 3.98Å; F277-R292 HydrophobicContact CD2-CG 4.07Å; F277-R292 HydrophobicContact CE2-CB 4.41Å; F277-R292 HydrophobicContact CE2-CG 3.99Å
278	I	87.9	Confident	89	Confident	22 Å²	22	66.3 Å²	66.3	11%	0.113	33%	0.328	C	S	.	.			trans	-108.6	101.3	-176.5	-58.3	167.7	0	0	0	108.5	M327 R329 V342 K344 V346	I278-M327 HydrophobicContact CD1-CB 4.17Å; I278-M327 HydrophobicContact CD1-CE 4.08Å; I278-R329 HydrophobicContact CD1-CG 3.54Å; I278-V342 HydrophobicContact CB-CG1 4.48Å; I278-V342 HydrophobicContact CG2-CG1 3.82Å; I278-K344 HydrophobicContact CG2-CD 4.36Å; I278-V346 HydrophobicContact CB-CG2 4.5Å; I278-V346 HydrophobicContact CD1-CG2 4.09Å; I278-V346 HydrophobicContact CG1-CG2 4.11Å; I278-V346 HydrophobicContact CG2-CG2 3.6Å
279	N	82.4	Confident	88.9	Confident	96 Å²	96	58.6 Å²	58.6	51%	0.513	30%	0.295	S	S	.	.			trans	-103.7	176.4	172.3	-156	-1.8	0	0	0	111.5	E281 V282 K344	N279-E281 PolarHBondContact O-N 2.8Å; N279-E281 VanDerWaalsContact O-N 3.12Å; N279-V282 HydrophobicContact CB-CG2 4.37Å; N279-V282 PolarHBondContact O-N 2.79Å; N279-V282 VanDerWaalsContact O-N 3.1Å; N279-K344 PolarHBondContact O-NZ 3.18Å
280	Q	78.6	Confident	88.8	Confident	176 Å²	176	60.3 Å²	60.3	82%	0.822	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-23.4	179.2	-64	-169.6	9.4	0	0	113.5	K344	Q280-K344 PolarHBondContact O-NZ 2.8Å
281	E	82.7	Confident	88.6	Confident	158 Å²	158	59.3 Å²	59.3	74%	0.738	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-20.8	179.3	-62.9	175.1	-177.6	0	0	113.3	N279 K283	N279-E281 PolarHBondContact O-N 2.8Å; N279-E281 VanDerWaalsContact O-N 3.12Å; E281-K283 PolarHBondContact O-N 3.03Å
282	V	87.8	Confident	88.4	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	29%	0.286	C	S	.	.			trans	-79.7	110.2	-173.7	-177.3	0	0	0	0	110.9	N279 Y284 L291 K344 V346	N279-V282 HydrophobicContact CB-CG2 4.37Å; N279-V282 PolarHBondContact O-N 2.79Å; N279-V282 VanDerWaalsContact O-N 3.1Å; V282-Y284 WeakPolarHBondContact CG1-O 3.5Å; V282-L291 HydrophobicContact CG2-CD1 3.21Å; V282-K344 WeakPolarHBondContact O-CE 3.49Å; V282-K344 PolarHBondContact O-NZ 3.36Å; V282-V346 HydrophobicContact CG1-CG1 4.33Å
283	K	90.3	Very high	88.2	Confident	142 Å²	142	59.5 Å²	59.5	62%	0.617	28%	0.282	S	S	*	.			trans	-105.8	-21.1	171.1	-65.7	-174.9	179.7	-179.8	0	113.1	E281 K347	E281-K283 PolarHBondContact O-N 3.03Å; K283-K347 PolarHBondContact O-N 2.92Å
284	Y	92.1	Very high	87.9	Confident	134 Å²	134	64.9 Å²	64.9	53%	0.525	31%	0.307	S	S	.	.	B	Isolated β-bridge	trans	-126.5	146.5	-176.6	-63.1	-81.6	0	0	0	110.4	V282 A286 T287 G288 K347	V282-Y284 WeakPolarHBondContact CG1-O 3.5Å; Y284-A286 VanDerWaalsContact C-N 3.3Å; Y284-A286 PolarHBondContact O-N 2.87Å; Y284-T287 PolarHBondContact O-N 3.41Å; Y284-G288 PolarHBondContact O-N 2.87Å; Y284-K347 WeakPolarHBondContact CA-O 3.36Å; Y284-K347 HydrophobicContact CD1-CB 3.89Å; Y284-K347 HydrophobicContact CE1-CB 4.13Å; Y284-K347 HydrophobicContact CE1-CD 4.01Å
285	L	91.4	Very high	87.6	Confident	1 Å²	1	66.3 Å²	66.3	1%	0.005	31%	0.313	C	S	.	.	H	α-helix	trans	-53.3	-45.1	178.5	-178.5	64.6	0	0	0	112.6	C276 T287 G288 L289 V325 K347 F348 L352 L477 Y479	C276-L285 HydrophobicContact CB-CD1 3.87Å; L285-T287 VanDerWaalsContact C-N 3.27Å; L285-T287 PolarHBondContact O-N 3.33Å; L285-G288 PolarHBondContact O-N 3.09Å; L285-L289 HydrophobicContact CG-CD1 4.25Å; L285-L289 HydrophobicContact CG-CG 4.45Å; L285-L289 PolarHBondContact O-N 3.11Å; L285-V325 HydrophobicContact CD1-CG1 4.03Å; L285-K347 PolarHBondContact N-O 2.75Å; L285-F348 HydrophobicContact CB-CB 4.15Å; L285-F348 HydrophobicContact CD2-CB 3.92Å; L285-L352 HydrophobicContact CD2-CD1 4.37Å; L285-L477 HydrophobicContact CD1-CD1 4.37Å; L285-L477 HydrophobicContact CD2-CD1 3.89Å; L285-Y479 HydrophobicContact CD2-CE2 3.98Å; L285-Y479 VanDerWaalsContact CD2-OH 3.26Å; L285-Y479 WeakPolarHBondContact CD2-OH 3.43Å
286	A	88.8	Confident	87.4	Confident	45 Å²	45	72.3 Å²	72.3	37%	0.372	34%	0.339	S	S	.	.	H	α-helix	trans	-57.4	-39.3	-178.5	0	0	0	0	0	112.7	Y284 L289 R290	Y284-A286 VanDerWaalsContact C-N 3.3Å; Y284-A286 PolarHBondContact O-N 2.87Å; A286-L289 PolarHBondContact O-N 2.77Å; A286-R290 WeakPolarHBondContact O-CB 3.26Å; A286-R290 PolarHBondContact O-N 2.85Å
287	T	89.6	Confident	87.3	Confident	49 Å²	49	74.6 Å²	74.6	30%	0.301	35%	0.351	S	S	.	.	H	α-helix	trans	-64.6	-45.3	176.1	-47.5	0	0	0	0	110.9	Y284 L285 L289 R290 L291	Y284-T287 PolarHBondContact O-N 3.41Å; L285-T287 VanDerWaalsContact C-N 3.27Å; L285-T287 PolarHBondContact O-N 3.33Å; T287-L289 VanDerWaalsContact C-N 3.33Å; T287-L289 PolarHBondContact O-N 3.36Å; T287-R290 PolarHBondContact O-N 3.34Å; T287-R290 VanDerWaalsContact O-N 3.16Å; T287-L291 HydrophobicContact CG2-CD1 4.11Å; T287-L291 WeakPolarHBondContact O-CD1 3.49Å; T287-L291 PolarHBondContact O-N 3.21Å
288	G	88.8	Confident	87.4	Confident	0 Å²	0	75.3 Å²	75.3	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-64.6	-34.1	179.7	0	0	0	0	0	113.6	F277 Y284 L285 R292	F277-G288 WeakPolarHBondContact O-CA 3.32Å; Y284-G288 PolarHBondContact O-N 2.87Å; L285-G288 PolarHBondContact O-N 3.09Å; G288-R292 PolarHBondContact O-N 3.12Å
289	L	88.9	Confident	87.3	Confident	8 Å²	8	78.7 Å²	78.7	4%	0.042	38%	0.376	C	S	.	.	H	α-helix	trans	-67.4	-43.2	171.2	-67.5	176.5	0	0	0	111.4	L274 C276 L285 A286 T287 L291 R292 L293 V325 L357	L274-L289 HydrophobicContact CB-CD2 4.11Å; L274-L289 HydrophobicContact CD1-CD2 4.22Å; C276-L289 HydrophobicContact CB-CD2 4.19Å; L285-L289 HydrophobicContact CG-CD1 4.25Å; L285-L289 HydrophobicContact CG-CG 4.45Å; L285-L289 PolarHBondContact O-N 3.11Å; A286-L289 PolarHBondContact O-N 2.77Å; T287-L289 VanDerWaalsContact C-N 3.33Å; T287-L289 PolarHBondContact O-N 3.36Å; L289-L291 VanDerWaalsContact C-N 3.32Å; L289-L291 PolarHBondContact O-N 3.46Å; L289-R292 PolarHBondContact O-N 3.45Å; L289-R292 VanDerWaalsContact O-N 3.12Å; L289-L293 PolarHBondContact O-N 3.14Å; L289-V325 HydrophobicContact CD2-CG1 3.96Å; L289-L357 HydrophobicContact CB-CD1 4.18Å; L289-L357 HydrophobicContact CD1-CD1 4.4Å
290	R	87.3	Confident	87.5	Confident	109 Å²	109	80.3 Å²	80.3	41%	0.411	38%	0.382	S	S	.	.	H	α-helix	trans	-64.2	-37.1	-179.5	-151.6	-177.2	-73.4	133	-10.5	112.2	A286 T287 R292 L293 E356 L357	A286-R290 WeakPolarHBondContact O-CB 3.26Å; A286-R290 PolarHBondContact O-N 2.85Å; T287-R290 PolarHBondContact O-N 3.34Å; T287-R290 VanDerWaalsContact O-N 3.16Å; R290-R292 VanDerWaalsContact C-N 3.29Å; R290-R292 PolarHBondContact O-N 3.4Å; R290-L293 PolarHBondContact O-N 3.1Å; R290-E356 IonicContact CZ-OE2 3.35Å; R290-E356 IonicContact NH2-OE2 3.61Å; R290-E356 PolarHBondContact NH2-OE2 3Å; R290-L357 HydrophobicContact CB-CD2 4.4Å; R290-L357 HydrophobicContact CG-CD2 4.13Å
291	L	86.7	Confident	87.8	Confident	74 Å²	74	71.9 Å²	71.9	39%	0.387	34%	0.342	S	S	.	.	H	α-helix	trans	-60.6	-34.8	173.2	-83.9	143.4	0	0	0	112.8	V282 T287 L289 L293	V282-L291 HydrophobicContact CG2-CD1 3.21Å; T287-L291 HydrophobicContact CG2-CD1 4.11Å; T287-L291 WeakPolarHBondContact O-CD1 3.49Å; T287-L291 PolarHBondContact O-N 3.21Å; L289-L291 VanDerWaalsContact C-N 3.32Å; L289-L291 PolarHBondContact O-N 3.46Å; L291-L293 VanDerWaalsContact C-N 3.33Å
292	R	86.3	Confident	87.9	Confident	84 Å²	84	69.5 Å²	69.5	32%	0.317	34%	0.341	S	S	.	.	H	α-helix	trans	-73.8	-26.6	176.6	-177.8	48.3	167.2	-174.6	0.4	112.7	S275 F277 G288 L289 R290 Q294 E295	S275-R292 WeakPolarHBondContact O-CB 3.24Å; F277-R292 HydrophobicContact CD2-CB 3.98Å; F277-R292 HydrophobicContact CD2-CG 4.07Å; F277-R292 HydrophobicContact CE2-CB 4.41Å; F277-R292 HydrophobicContact CE2-CG 3.99Å; G288-R292 PolarHBondContact O-N 3.12Å; L289-R292 PolarHBondContact O-N 3.45Å; L289-R292 VanDerWaalsContact O-N 3.12Å; R290-R292 VanDerWaalsContact C-N 3.29Å; R290-R292 PolarHBondContact O-N 3.4Å; R292-Q294 PolarHBondContact O-N 3.19Å; R292-E295 VanDerWaalsContact CD-OE1 3.29Å; R292-E295 WeakPolarHBondContact CD-OE1 3.43Å; R292-E295 IonicContact CZ-OE1 2.75Å; R292-E295 IonicContact NE-OE1 3.17Å; R292-E295 PolarHBondContact NE-OE1 3.33Å; R292-E295 IonicContact NH1-OE1 2.67Å; R292-E295 PolarHBondContact NH1-OE1 2.95Å; R292-E295 IonicContact NH2-OE1 2.95Å
293	L	86.1	Confident	87.7	Confident	20 Å²	20	73.6 Å²	73.6	11%	0.105	37%	0.365	C	S	.	.	H	α-helix	trans	-74.7	-16.4	-180	-66.2	177.8	0	0	0	113.1	F250 L289 R290 L291 S313 S314 L357	F250-L293 HydrophobicContact CD1-CD2 4.12Å; F250-L293 HydrophobicContact CE1-CD2 3.83Å; L289-L293 PolarHBondContact O-N 3.14Å; R290-L293 PolarHBondContact O-N 3.1Å; L291-L293 VanDerWaalsContact C-N 3.33Å; L293-S313 CarbonylContact O-C 3.57Å; L293-S313 WeakPolarHBondContact O-CA 3.17Å; L293-S314 WeakPolarHBondContact CB-O 3.48Å; L293-S314 PolarHBondContact O-N 3.32Å; L293-L357 HydrophobicContact CD1-CB 3.94Å; L293-L357 HydrophobicContact CD1-CD1 4.39Å; L293-L357 HydrophobicContact CD1-CD2 3.78Å; L293-L357 HydrophobicContact CD1-CG 4.23Å
294	Q	86.3	Confident	87.3	Confident	129 Å²	129	69.7 Å²	69.7	60%	0.603	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.5	113.3	176.9	-66.8	-175.3	-8.3	0	0	109.5	R292 K312	R292-Q294 PolarHBondContact O-N 3.19Å; Q294-K312 WeakPolarHBondContact CA-O 3.37Å
295	E	86.1	Confident	87	Confident	42 Å²	42	69.7 Å²	69.7	20%	0.196	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	134.8	-179.1	-60.3	-178.4	160.6	0	0	110	R292 I297 K312	R292-E295 VanDerWaalsContact CD-OE1 3.29Å; R292-E295 WeakPolarHBondContact CD-OE1 3.43Å; R292-E295 IonicContact CZ-OE1 2.75Å; R292-E295 IonicContact NE-OE1 3.17Å; R292-E295 PolarHBondContact NE-OE1 3.33Å; R292-E295 IonicContact NH1-OE1 2.67Å; R292-E295 PolarHBondContact NH1-OE1 2.95Å; R292-E295 IonicContact NH2-OE1 2.95Å; E295-I297 HydrophobicContact CB-CG1 4.4Å; E295-K312 HydrophobicContact CB-CB 4.42Å; E295-K312 PolarHBondContact N-O 3.21Å; E295-K312 PolarHBondContact O-N 3Å
296	E	88.3	Confident	86.9	Confident	148 Å²	148	76.4 Å²	76.4	69%	0.692	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93	124.8	170.7	-64.8	179.1	-178.7	0	0	108.6	L309 I311	E296-L309 HydrophobicContact CB-CD2 4.25Å; E296-L309 HydrophobicContact CG-CD2 4.21Å; E296-I311 HydrophobicContact CG-CG1 4.42Å
297	I	88.9	Confident	86.9	Confident	49 Å²	49	79.7 Å²	79.7	25%	0.251	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	128.1	-176.8	-49.3	177	0	0	0	108.5	E295 K299 Y310 K312	E295-I297 HydrophobicContact CB-CG1 4.4Å; I297-K299 HydrophobicContact CG2-CD 4.5Å; I297-K299 HydrophobicContact CG2-CG 4.01Å; I297-Y310 PolarHBondContact N-O 3.39Å; I297-Y310 WeakPolarHBondContact O-CB 3.33Å; I297-Y310 PolarHBondContact O-N 3.43Å; I297-K312 HydrophobicContact CD1-CB 3.9Å; I297-K312 HydrophobicContact CD1-CD 3.86Å
298	T	90.1	Very high	86.8	Confident	95 Å²	95	77.4 Å²	77.4	58%	0.583	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.6	120.6	171.7	-50.2	0	0	0	0	109.4	N307	T298-N307 HydrophobicContact CG2-CB 3.74Å
299	K	86.7	Confident	86.9	Confident	93 Å²	93	80 Å²	80	40%	0.404	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	153.9	174.8	-70.5	-174.5	177.5	177	0	110.1	M254 I297 S301 N307 A308 Y310	M254-K299 HydrophobicContact CE-CD 4Å; M254-K299 HydrophobicContact SD-CD 3.93Å; M254-K299 PolarHBondContact SD-NZ 3.04Å; I297-K299 HydrophobicContact CG2-CD 4.5Å; I297-K299 HydrophobicContact CG2-CG 4.01Å; K299-S301 PolarHBondContact O-N 3.45Å; K299-N307 WeakPolarHBondContact O-CA 3.4Å; K299-A308 PolarHBondContact N-O 3.2Å; K299-A308 VanDerWaalsContact N-O 3.07Å; K299-A308 PolarHBondContact O-N 3.39Å; K299-A308 VanDerWaalsContact O-O 3.11Å; K299-Y310 HydrophobicContact CB-CD2 3.89Å; K299-Y310 HydrophobicContact CB-CE2 4.02Å
300	M	86.6	Confident	86.9	Confident	130 Å²	130	80.1 Å²	80.1	64%	0.64	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.1	113.8	171.8	-167.2	179.6	81.4	0	0	108.7
301	S	84.4	Confident	87.1	Confident	0 Å²	0	76.9 Å²	76.9	0%	0	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	129.2	176.2	162.5	0	0	0	0	109.1	E262 K299 T303 L304 D305 R306 Y310	E262-S301 PolarHBondContact OE1-OG 2.87Å; K299-S301 PolarHBondContact O-N 3.45Å; S301-T303 PolarHBondContact O-N 2.87Å; S301-T303 PolarHBondContact OG-N 3.31Å; S301-L304 PolarHBondContact OG-N 3.43Å; S301-L304 VanDerWaalsContact OG-N 3.1Å; S301-D305 WeakPolarHBondContact O-CA 3.09Å; S301-D305 PolarHBondContact O-N 3.08Å; S301-R306 PolarHBondContact N-O 2.95Å; S301-Y310 WeakPolarHBondContact CA-OH 3.39Å; S301-Y310 VanDerWaalsContact CB-OH 3.3Å; S301-Y310 WeakPolarHBondContact CB-OH 3.47Å
302	P	84.6	Confident	87.3	Confident	108 Å²	108	74.5 Å²	74.5	70%	0.701	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-24.6	175.5	27.9	-33.1	0	0	0	112.4
303	T	84.3	Confident	87.5	Confident	85 Å²	85	71.8 Å²	71.8	52%	0.521	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-40.9	-177.8	-49.4	0	0	0	0	111.9	E262 S301	E262-T303 WeakPolarHBondContact CG-OG1 3.37Å; S301-T303 PolarHBondContact O-N 2.87Å; S301-T303 PolarHBondContact OG-N 3.31Å
304	L	81.9	Confident	87.8	Confident	61 Å²	61	71.3 Å²	71.3	32%	0.319	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-7.7	-178.5	-63.2	173.4	0	0	0	113.7	E258 S259 S301 R306 A308	E258-L304 HydrophobicContact CB-CD1 3.88Å; S259-L304 VanDerWaalsContact OG-CD1 3.26Å; S259-L304 WeakPolarHBondContact OG-CD1 3.37Å; S259-L304 VanDerWaalsContact OG-CG 3.31Å; S259-L304 WeakPolarHBondContact OG-CG 3.49Å; S301-L304 PolarHBondContact OG-N 3.43Å; S301-L304 VanDerWaalsContact OG-N 3.1Å; L304-R306 HydrophobicContact CB-CG 3.96Å; L304-R306 PolarHBondContact O-N 3.05Å; L304-R306 VanDerWaalsContact O-N 3.08Å; L304-A308 HydrophobicContact CD1-CB 4.05Å
305	D	84.8	Confident	88.1	Confident	134 Å²	134	69.7 Å²	69.7	72%	0.717	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.1	35.9	-176	-160.3	33.3	0	0	0	113.6	S301	S301-D305 WeakPolarHBondContact O-CA 3.09Å; S301-D305 PolarHBondContact O-N 3.08Å
306	R	88.9	Confident	88.3	Confident	142 Å²	142	67.9 Å²	67.9	54%	0.536	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	165.6	178.3	73	-174.8	-169.1	-179.7	1.1	110.3	E258 S301 L304 A308	E258-R306 IonicContact OE2-CZ 2.61Å; E258-R306 IonicContact OE2-NE 3.21Å; E258-R306 IonicContact OE2-NH2 3.49Å; E258-R306 PolarHBondContact OE2-NH2 3.02Å; S301-R306 PolarHBondContact N-O 2.95Å; L304-R306 HydrophobicContact CB-CG 3.96Å; L304-R306 PolarHBondContact O-N 3.05Å; L304-R306 VanDerWaalsContact O-N 3.08Å; R306-A308 PolarHBondContact O-N 3.24Å; R306-A308 VanDerWaalsContact O-N 3.15Å
307	N	90.3	Very high	88.5	Confident	113 Å²	113	62.1 Å²	62.1	60%	0.604	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65	114.1	170.1	-76.2	-21.1	0	0	0	109.7	T298 K299	T298-N307 HydrophobicContact CG2-CB 3.74Å; K299-N307 WeakPolarHBondContact O-CA 3.4Å
308	A	87.3	Confident	88.5	Confident	2 Å²	2	60.4 Å²	60.4	2%	0.017	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	157.1	176.6	0	0	0	0	0	110	E258 K299 L304 R306 Y310	E258-A308 WeakPolarHBondContact OE1-CA 3.31Å; K299-A308 PolarHBondContact N-O 3.2Å; K299-A308 VanDerWaalsContact N-O 3.07Å; K299-A308 PolarHBondContact O-N 3.39Å; K299-A308 VanDerWaalsContact O-O 3.11Å; L304-A308 HydrophobicContact CD1-CB 4.05Å; R306-A308 PolarHBondContact O-N 3.24Å; R306-A308 VanDerWaalsContact O-N 3.15Å; A308-Y310 HydrophobicContact CB-CE2 4.23Å
309	L	90.3	Very high	88.6	Confident	55 Å²	55	56 Å²	56	29%	0.288	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	126.6	177.4	-161.3	148.8	0	0	0	110.4	T257 E258 E296 I311	T257-L309 HydrophobicContact CG2-CD2 4.02Å; T257-L309 PolarHBondContact N-O 3.27Å; T257-L309 PolarHBondContact OG1-O 3.06Å; E258-L309 PolarHBondContact OE1-N 3.44Å; E296-L309 HydrophobicContact CB-CD2 4.25Å; E296-L309 HydrophobicContact CG-CD2 4.21Å; L309-I311 HydrophobicContact CD2-CG1 4.2Å
310	Y	89.6	Confident	88.9	Confident	9 Å²	9	51.6 Å²	51.6	4%	0.035	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	134.9	173.9	-73.7	-100.7	0	0	0	109.8	M254 K255 C256 E262 I297 K299 S301 A308	M254-Y310 HydrophobicContact CE-CD1 4.12Å; M254-Y310 HydrophobicContact CG-CD1 3.89Å; M254-Y310 HydrophobicContact CG-CG 4.2Å; M254-Y310 HydrophobicContact SD-CD1 4.35Å; M254-Y310 HydrophobicContact SD-CG 4.38Å; K255-Y310 CarbonylContact O-C 3.5Å; K255-Y310 VanDerWaalsContact O-CA 3.3Å; K255-Y310 WeakPolarHBondContact O-CA 3.26Å; C256-Y310 HydrophobicContact CB-CD1 3.98Å; C256-Y310 HydrophobicContact CB-CE1 3.6Å; E262-Y310 PolarHBondContact OE1-OH 3.2Å; E262-Y310 PolarHBondContact OE2-OH 2.77Å; I297-Y310 PolarHBondContact N-O 3.39Å; I297-Y310 WeakPolarHBondContact O-CB 3.33Å; I297-Y310 PolarHBondContact O-N 3.43Å; K299-Y310 HydrophobicContact CB-CD2 3.89Å; K299-Y310 HydrophobicContact CB-CE2 4.02Å; S301-Y310 WeakPolarHBondContact CA-OH 3.39Å; S301-Y310 VanDerWaalsContact CB-OH 3.3Å; S301-Y310 WeakPolarHBondContact CB-OH 3.47Å; A308-Y310 HydrophobicContact CB-CE2 4.23Å
311	I	90.6	Very high	89.2	Confident	41 Å²	41	45.4 Å²	45.4	21%	0.21	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	114.6	169.9	-65.5	172.6	0	0	0	107.8	M254 K255 T257 E296 L309	M254-I311 WeakPolarHBondContact CA-O 3.32Å; K255-I311 HydrophobicContact CG-CB 4.23Å; K255-I311 PolarHBondContact N-O 3.06Å; K255-I311 PolarHBondContact O-N 3.39Å; T257-I311 HydrophobicContact CG2-CB 4.44Å; T257-I311 HydrophobicContact CG2-CD1 3.28Å; T257-I311 HydrophobicContact CG2-CG1 3.51Å; E296-I311 HydrophobicContact CG-CG1 4.42Å; L309-I311 HydrophobicContact CD2-CG1 4.2Å
312	K	90.8	Very high	89.6	Confident	24 Å²	24	45.6 Å²	45.6	10%	0.104	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	112.8	168.1	-179.5	-175.9	171.5	-174.2	0	108.3	E269 Q294 E295 I297	E269-K312 WeakPolarHBondContact OE1-CE 3.43Å; E269-K312 IonicContact OE1-NZ 3.26Å; E269-K312 PolarHBondContact OE1-NZ 3.04Å; E269-K312 IonicContact OE2-NZ 2.98Å; E269-K312 PolarHBondContact OE2-NZ 2.71Å; Q294-K312 WeakPolarHBondContact CA-O 3.37Å; E295-K312 HydrophobicContact CB-CB 4.42Å; E295-K312 PolarHBondContact N-O 3.21Å; E295-K312 PolarHBondContact O-N 3Å; I297-K312 HydrophobicContact CD1-CB 3.9Å; I297-K312 HydrophobicContact CD1-CD 3.86Å
313	S	91	Very high	90.1	Very high	28 Å²	28	40.5 Å²	40.5	20%	0.196	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	126.9	170.2	-174.4	0	0	0	0	109.4	T252 S253 L293	T252-S313 CarbonylContact C-O 3.46Å; T252-S313 WeakPolarHBondContact CA-O 3.38Å; S253-S313 PolarHBondContact N-O 3.47Å; S253-S313 PolarHBondContact O-N 2.83Å; S253-S313 PolarHBondContact OG-O 2.8Å; L293-S313 CarbonylContact O-C 3.57Å; L293-S313 WeakPolarHBondContact O-CA 3.17Å
314	S	92.1	Very high	90.6	Very high	9 Å²	9	36.6 Å²	36.6	6%	0.063	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	134.9	178.5	-49.5	0	0	0	0	109.4	E251 L293	E251-S314 WeakPolarHBondContact O-CA 3.2Å; L293-S314 WeakPolarHBondContact CB-O 3.48Å; L293-S314 PolarHBondContact O-N 3.32Å
315	K	92	Very high	91.3	Very high	96 Å²	96	33.7 Å²	33.7	42%	0.417	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	149.3	171.9	-69.6	-171.4	178.1	-174.3	0	109.9	F250 E251 S317 T359	F250-K315 CarbonylContact C-O 3.54Å; F250-K315 VanDerWaalsContact CA-O 3.26Å; F250-K315 WeakPolarHBondContact CA-O 3.38Å; E251-K315 PolarHBondContact N-O 3.15Å; E251-K315 PolarHBondContact O-N 2.8Å; K315-S317 PolarHBondContact O-N 3.41Å; K315-T359 HydrophobicContact CB-CG2 3.72Å
316	L	91.5	Very high	91.8	Very high	3 Å²	3	28.9 Å²	28.9	2%	0.016	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	118.4	-179.3	-63.7	164.9	0	0	0	110	V248 F250 L319 L357 L358 T359	V248-L316 HydrophobicContact CG1-CD2 3.22Å; F250-L316 HydrophobicContact CD1-CD2 3.72Å; F250-L316 HydrophobicContact CD1-CG 4.46Å; F250-L316 HydrophobicContact CE1-CD2 3.36Å; F250-L316 HydrophobicContact CE1-CG 4.32Å; F250-L316 HydrophobicContact CZ-CD2 3.93Å; L316-L319 HydrophobicContact CB-CD2 4.37Å; L316-L319 HydrophobicContact CD1-CD2 4.02Å; L316-L357 HydrophobicContact CD1-CB 3.83Å; L316-L357 PolarHBondContact N-O 2.98Å; L316-L358 HydrophobicContact CB-CD2 3.66Å; L316-L358 HydrophobicContact CD1-CD2 3.92Å; L316-L358 HydrophobicContact CG-CD2 4.43Å; L316-T359 WeakPolarHBondContact O-CG2 3.44Å; L316-T359 PolarHBondContact O-N 2.9Å; L316-T359 PolarHBondContact O-OG1 2.96Å
317	S	91.3	Very high	92	Very high	28 Å²	28	22.1 Å²	22.1	20%	0.196	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	-25.8	178.4	59.9	0	0	0	0	112.7	E249 K315	E249-S317 VanDerWaalsContact C-OG 3.23Å; E249-S317 VanDerWaalsContact CB-OG 3.31Å; E249-S317 WeakPolarHBondContact CB-OG 3.47Å; E249-S317 PolarHBondContact O-N 3.2Å; E249-S317 PolarHBondContact O-OG 2.85Å; E249-S317 VanDerWaalsContact O-OG 3.11Å; K315-S317 PolarHBondContact O-N 3.41Å
318	R	90.3	Very high	92	Very high	13 Å²	13	18.6 Å²	18.6	5%	0.049	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	136.1	173.7	-172.3	-172.3	179.3	-112.8	-3.5	110.5	D243 Q244 G247 E249 D408	D243-R318 PolarHBondContact O-NH1 3.15Å; Q244-R318 PolarHBondContact O-NH2 2.92Å; Q244-R318 VanDerWaalsContact O-NH2 3.11Å; G247-R318 PolarHBondContact O-NH1 3.14Å; E249-R318 HydrophobicContact CB-CB 3.74Å; E249-R318 HydrophobicContact CG-CB 3.96Å; E249-R318 PolarHBondContact N-O 2.94Å; E249-R318 PolarHBondContact O-N 2.89Å; R318-D408 IonicContact CZ-OD1 2.76Å; R318-D408 IonicContact CZ-OD2 2.72Å; R318-D408 IonicContact NE-OD1 3.41Å; R318-D408 PolarHBondContact NE-OD1 3.36Å; R318-D408 IonicContact NE-OD2 3.48Å; R318-D408 PolarHBondContact NE-OD2 2.69Å; R318-D408 IonicContact NH2-OD1 3.15Å; R318-D408 PolarHBondContact NH2-OD1 3.27Å; R318-D408 IonicContact NH2-OD2 3.77Å; R318-D408 PolarHBondContact NH2-OD2 3.29Å
319	L	91.3	Very high	92	Very high	3 Å²	3	18.6 Å²	18.6	2%	0.016	10%	0.097	C	C	.	.			trans	-108.1	129.8	177.5	-76.9	-174.5	0	0	0	111.4	L316 V354 L358 L362 M366 S411 N412 Y417	L316-L319 HydrophobicContact CB-CD2 4.37Å; L316-L319 HydrophobicContact CD1-CD2 4.02Å; L319-V354 HydrophobicContact CD1-CG2 3.65Å; L319-V354 HydrophobicContact CD2-CG2 3.98Å; L319-V354 HydrophobicContact CG-CG2 4.47Å; L319-L358 HydrophobicContact CD1-CD1 4.04Å; L319-L358 HydrophobicContact CD1-CD2 3.75Å; L319-L358 HydrophobicContact CD2-CD2 3.79Å; L319-L358 HydrophobicContact CG-CD2 3.8Å; L319-L362 HydrophobicContact CG-CD2 4.26Å; L319-M366 HydrophobicContact CD1-CE 4.19Å; L319-S411 CarbonylContact O-C 3.55Å; L319-S411 VanDerWaalsContact O-CA 3.23Å; L319-S411 WeakPolarHBondContact O-CA 3.45Å; L319-N412 HydrophobicContact CB-CB 4.23Å; L319-N412 PolarHBondContact O-N 3.43Å; L319-Y417 WeakPolarHBondContact CB-OH 3.2Å; L319-Y417 HydrophobicContact CD1-CE2 4.3Å
320	P	93.2	Very high	91.6	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.093	C	C	.	.	B	Isolated β-bridge	trans	-77.1	157.8	172.3	32	-34.7	0	0	0	111.4	Y245 V248 Y322 L323 G410 N412 Y417	Y245-P320 VanDerWaalsContact O-CB 3.28Å; Y245-P320 WeakPolarHBondContact O-CB 3.45Å; V248-P320 HydrophobicContact CG2-CG 3.64Å; P320-Y322 VanDerWaalsContact C-N 3.31Å; P320-Y322 WeakPolarHBondContact CG-O 3.39Å; P320-L323 HydrophobicContact CG-CD1 3.89Å; P320-G410 CarbonylContact C-O 3.57Å; P320-N412 WeakPolarHBondContact O-CB 3.07Å; P320-Y417 WeakPolarHBondContact O-CE1 3.27Å; P320-Y417 PolarHBondContact O-OH 3.35Å
321	A	92	Very high	91.1	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.11	C	C	.	.	S	Bend	trans	-62.6	-40.4	170.1	0	0	0	0	0	111.4	Y245 F403 G410 Y417 G480 P481	Y245-A321 HydrophobicContact CD1-CB 4.03Å; Y245-A321 PolarHBondContact O-N 2.96Å; A321-F403 HydrophobicContact CB-CD2 4.05Å; A321-F403 HydrophobicContact CB-CE2 3.67Å; A321-G410 VanDerWaalsContact CB-O 3.3Å; A321-G410 WeakPolarHBondContact CB-O 3.44Å; A321-G410 PolarHBondContact N-O 2.89Å; A321-Y417 WeakPolarHBondContact O-CE1 3.41Å; A321-G480 CarbonylContact O-C 3.59Å; A321-P481 HydrophobicContact CB-CG 4.43Å; A321-P481 VanDerWaalsContact O-CD 3.26Å; A321-P481 WeakPolarHBondContact O-CD 3.38Å
322	Y	94.4	Very high	90.6	Very high	4 Å²	4	26.5 Å²	26.5	2%	0.016	13%	0.125	C	C	.	.	S	Bend	trans	-109.7	111.8	177.4	-66	-75.8	0	0	0	110.7	V126 E128 Y245 F246 P320 Y479	V126-Y322 HydrophobicContact CG1-CD1 4.33Å; V126-Y322 HydrophobicContact CG1-CD2 3.8Å; V126-Y322 HydrophobicContact CG1-CE1 4.15Å; V126-Y322 HydrophobicContact CG1-CE2 3.59Å; V126-Y322 HydrophobicContact CG1-CG 4.18Å; V126-Y322 HydrophobicContact CG2-CD1 4.11Å; V126-Y322 HydrophobicContact CG2-CE1 4.28Å; V126-Y322 HydrophobicContact CG2-CG 4.42Å; E128-Y322 WeakPolarHBondContact OE2-CE2 3.49Å; E128-Y322 PolarHBondContact OE2-OH 3.02Å; Y245-Y322 HydrophobicContact CD1-CD2 4.03Å; Y245-Y322 HydrophobicContact CD1-CE2 4.04Å; Y245-Y322 PolarHBondContact O-N 3.13Å; F246-Y322 HydrophobicContact CE1-CG 4.34Å; F246-Y322 HydrophobicContact CZ-CG 4.35Å; P320-Y322 VanDerWaalsContact C-N 3.31Å; P320-Y322 WeakPolarHBondContact CG-O 3.39Å; Y322-Y479 CarbonylContact C-O 3.58Å; Y322-Y479 WeakPolarHBondContact CA-O 3.24Å
323	L	94.6	Very high	90.1	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.005	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	113.4	-179.8	-171.6	68.1	0	0	0	110.1	V248 L274 P320 V325 L352 V354 Y417 Y479	V248-L323 HydrophobicContact CG2-CD1 3.64Å; L274-L323 HydrophobicContact CD1-CD1 3.7Å; L274-L323 HydrophobicContact CD1-CD2 3.94Å; L274-L323 HydrophobicContact CD1-CG 4.09Å; L274-L323 HydrophobicContact CG-CD1 3.9Å; P320-L323 HydrophobicContact CG-CD1 3.89Å; L323-V325 HydrophobicContact CD2-CG2 4.44Å; L323-V325 HydrophobicContact CG-CG2 4.29Å; L323-L352 HydrophobicContact CD2-CD2 4.04Å; L323-V354 HydrophobicContact CD2-CG1 4.29Å; L323-Y417 HydrophobicContact CB-CD1 4.08Å; L323-Y417 HydrophobicContact CB-CE1 3.72Å; L323-Y417 HydrophobicContact CD2-CE2 4.25Å; L323-Y479 PolarHBondContact N-O 3.08Å; L323-Y479 PolarHBondContact O-N 2.9Å
324	T	95.5	Very high	89.5	Confident	2 Å²	2	35.6 Å²	35.6	1%	0.012	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	126.5	174.8	-50.6	0	0	0	0	109.6	W204 Q273 L274 V476	W204-T324 HydrophobicContact CZ2-CG2 3.88Å; Q273-T324 WeakPolarHBondContact CA-O 3.39Å; Q273-T324 HydrophobicContact CG-CG2 3.95Å; L274-T324 PolarHBondContact N-O 2.79Å; T324-V476 HydrophobicContact CG2-CG1 3.56Å
325	V	95.4	Very high	89	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	117.7	177.9	-173.1	0	0	0	0	110.1	L274 C276 L285 L289 L323 V476 L477 Y479	L274-V325 HydrophobicContact CB-CG2 4.34Å; L274-V325 CarbonylContact O-C 3.57Å; L274-V325 WeakPolarHBondContact O-CA 3.48Å; C276-V325 HydrophobicContact CB-CG1 3.96Å; L285-V325 HydrophobicContact CD1-CG1 4.03Å; L289-V325 HydrophobicContact CD2-CG1 3.96Å; L323-V325 HydrophobicContact CD2-CG2 4.44Å; L323-V325 HydrophobicContact CG-CG2 4.29Å; V325-V476 WeakPolarHBondContact O-CA 3.19Å; V325-L477 HydrophobicContact CB-CB 4.33Å; V325-L477 PolarHBondContact N-O 2.79Å; V325-L477 PolarHBondContact O-N 3.01Å; V325-Y479 HydrophobicContact CG2-CD2 4.05Å; V325-Y479 HydrophobicContact CG2-CE2 4.19Å
326	Q	95.3	Very high	88.2	Confident	33 Å²	33	46.7 Å²	46.7	15%	0.154	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	122.5	173.1	-171.4	-170.6	6.6	0	0	110.1	N201 Q273 L274 C276 V328	N201-Q326 VanDerWaalsContact ND2-CD 3.35Å; N201-Q326 PolarHBondContact ND2-NE2 3.27Å; N201-Q326 VanDerWaalsContact ND2-NE2 3.14Å; Q273-Q326 HydrophobicContact CG-CB 3.94Å; L274-Q326 PolarHBondContact O-N 3.43Å; C276-Q326 PolarHBondContact N-O 2.8Å; Q326-V328 HydrophobicContact CG-CG2 4.48Å; Q326-V328 PolarHBondContact O-N 2.73Å
327	M	93.2	Very high	87.5	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	102.6	169.6	-60.5	-170.7	80.7	0	0	109	I278 R329 V346 A474 Y475 L477	I278-M327 HydrophobicContact CD1-CB 4.17Å; I278-M327 HydrophobicContact CD1-CE 4.08Å; M327-R329 VanDerWaalsContact C-N 3.35Å; M327-R329 HydrophobicContact CB-CG 4.33Å; M327-R329 PolarHBondContact O-N 3.28Å; M327-V346 HydrophobicContact CE-CB 3.74Å; M327-V346 HydrophobicContact CE-CG1 3.8Å; M327-A474 HydrophobicContact SD-CB 3.55Å; M327-A474 VanDerWaalsContact SD-CB 3.55Å; M327-Y475 WeakPolarHBondContact CB-O 3.37Å; M327-Y475 PolarHBondContact N-O 3.1Å; M327-Y475 WeakPolarHBondContact O-CD2 3.32Å; M327-L477 HydrophobicContact SD-CD1 4.19Å; M327-L477 HydrophobicContact SD-CG 4.38Å
328	V	90.9	Very high	87	Confident	40 Å²	40	52.9 Å²	52.9	24%	0.242	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	89.7	-177.3	-173.3	0	0	0	0	109.1	C276 Q326	C276-V328 PolarHBondContact O-N 2.84Å; Q326-V328 HydrophobicContact CG-CG2 4.48Å; Q326-V328 PolarHBondContact O-N 2.73Å
329	R	86.4	Confident	86.6	Confident	2 Å²	2	56.3 Å²	56.3	1%	0.008	27%	0.272	C	S	.	.			trans	-104.3	-19.4	-176.7	-70.8	-179.1	-179.3	-86.3	7.8	113.9	I278 M327 K341 V342 K344 S466 I473 A474	I278-R329 HydrophobicContact CD1-CG 3.54Å; M327-R329 VanDerWaalsContact C-N 3.35Å; M327-R329 HydrophobicContact CB-CG 4.33Å; M327-R329 PolarHBondContact O-N 3.28Å; R329-K341 HydrophobicContact CB-CG 4.48Å; R329-K341 CarbonylContact O-C 3.49Å; R329-K341 WeakPolarHBondContact O-CA 3.44Å; R329-V342 HydrophobicContact CB-CB 4.35Å; R329-V342 PolarHBondContact NH1-O 2.99Å; R329-V342 WeakPolarHBondContact O-CG2 3.16Å; R329-V342 PolarHBondContact O-N 2.95Å; R329-K344 PolarHBondContact NH1-O 3.3Å; R329-S466 PolarHBondContact NH2-O 3.49Å; R329-I473 VanDerWaalsContact NE-CG2 3.28Å; R329-A474 PolarHBondContact NE-O 2.6Å
330	F	83.2	Confident	86.1	Confident	48 Å²	48	57 Å²	57	21%	0.211	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	130.6	-179.8	-61.9	-71	0	0	0	110.1	K341 H425 Y475	F330-K341 HydrophobicContact CD1-CB 4.02Å; F330-K341 HydrophobicContact CD1-CG 4.08Å; F330-K341 HydrophobicContact CE1-CB 3.95Å; F330-K341 HydrophobicContact CE1-CD 3.79Å; F330-K341 HydrophobicContact CE1-CG 3.76Å; F330-K341 HydrophobicContact CZ-CD 4.23Å; F330-K341 HydrophobicContact CZ-CG 4.44Å; F330-H425 AromaticContact CZ-CE1 3.96Å; F330-H425 AromaticContact CZ-ND1 3.51Å; F330-Y475 AromaticContact CD2-CE2 3.71Å; F330-Y475 HydrophobicContact CD2-CE2 3.71Å; F330-Y475 AromaticContact CD2-CZ 3.94Å; F330-Y475 HydrophobicContact CE2-CD2 4.12Å; F330-Y475 HydrophobicContact CE2-CE1 4.31Å; F330-Y475 AromaticContact CE2-CE2 3.6Å; F330-Y475 HydrophobicContact CE2-CE2 3.6Å; F330-Y475 AromaticContact CE2-CZ 3.71Å
331	F	78.3	Confident	85.9	Confident	90 Å²	90	57.9 Å²	57.9	40%	0.395	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	142.2	173.9	67.7	-76.1	0	0	0	110	K333 A340 V342	F331-K333 HydrophobicContact CD2-CG 3.84Å; F331-K333 HydrophobicContact CE2-CD 3.98Å; F331-K333 VanDerWaalsContact CE2-CE 3.49Å; F331-K333 HydrophobicContact CE2-CG 3.35Å; F331-K333 HydrophobicContact CZ-CD 4.43Å; F331-K333 HydrophobicContact CZ-CG 4.21Å; F331-A340 HydrophobicContact CD1-CB 4.26Å; F331-A340 WeakPolarHBondContact CD1-O 3.19Å; F331-A340 HydrophobicContact CE1-CB 3.72Å; F331-A340 HydrophobicContact CE2-CB 4.1Å; F331-A340 HydrophobicContact CZ-CB 3.65Å; F331-A340 PolarHBondContact N-O 3.44Å; F331-A340 PolarHBondContact O-N 3.41Å; F331-V342 HydrophobicContact CD1-CG2 3.57Å; F331-V342 HydrophobicContact CE1-CG2 3.42Å; F331-V342 VanDerWaalsContact CE1-CG2 3.42Å
332	Y	80.4	Confident	85.6	Confident	132 Å²	132	59.3 Å²	59.3	52%	0.518	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	122.4	174.9	-174.1	-109	0	0	0	109.4	E334 S337 N339	Y332-E334 HydrophobicContact CD1-CB 4.42Å; Y332-E334 HydrophobicContact CE1-CB 4.35Å; Y332-E334 PolarHBondContact O-N 3.15Å; Y332-S337 VanDerWaalsContact OH-CA 3.31Å; Y332-S337 WeakPolarHBondContact OH-CA 3.43Å; Y332-S337 WeakPolarHBondContact OH-CB 3.43Å; Y332-N339 VanDerWaalsContact CD2-OD1 3.31Å; Y332-N339 WeakPolarHBondContact CD2-OD1 3.48Å
333	K	80.9	Confident	85.2	Confident	81 Å²	81	61.6 Å²	61.6	35%	0.352	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	99.5	170.9	-72.2	-176.6	178.7	-178.9	0	108.9	F331 K335 E336 S337 V338 A340	F331-K333 HydrophobicContact CD2-CG 3.84Å; F331-K333 HydrophobicContact CE2-CD 3.98Å; F331-K333 VanDerWaalsContact CE2-CE 3.49Å; F331-K333 HydrophobicContact CE2-CG 3.35Å; F331-K333 HydrophobicContact CZ-CD 4.43Å; F331-K333 HydrophobicContact CZ-CG 4.21Å; K333-K335 PolarHBondContact O-N 3.09Å; K333-E336 HydrophobicContact CB-CB 4.44Å; K333-E336 WeakPolarHBondContact CD-OE2 3.42Å; K333-E336 IonicContact NZ-OE2 3.61Å; K333-E336 PolarHBondContact O-N 2.81Å; K333-E336 VanDerWaalsContact O-N 3.1Å; K333-S337 PolarHBondContact O-N 3.37Å; K333-V338 PolarHBondContact N-O 2.8Å; K333-V338 PolarHBondContact O-N 2.86Å; K333-A340 HydrophobicContact CD-CB 4.04Å; K333-A340 HydrophobicContact CG-CB 4.16Å
334	E	78.6	Confident	84.9	Confident	162 Å²	162	64.4 Å²	64.4	76%	0.757	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-38.9	-179.6	-166.7	174.1	-164.4	0	0	112.6	Y332 E336 S337	Y332-E334 HydrophobicContact CD1-CB 4.42Å; Y332-E334 HydrophobicContact CE1-CB 4.35Å; Y332-E334 PolarHBondContact O-N 3.15Å; E334-E336 VanDerWaalsContact C-N 3.26Å; E334-E336 PolarHBondContact O-N 2.68Å; E334-S337 PolarHBondContact O-N 2.87Å
335	K	79.9	Confident	84.7	Confident	212 Å²	212	67.1 Å²	67.1	92%	0.922	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-33.9	178.5	-69.2	-172.7	178.6	-177.8	0	114.2	K333	K333-K335 PolarHBondContact O-N 3.09Å
336	E	75.7	Confident	84.6	Confident	126 Å²	126	67.1 Å²	67.1	59%	0.589	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.1	-7.4	-176.4	-68.3	174.6	166.7	0	0	111.4	K333 E334 V338	K333-E336 HydrophobicContact CB-CB 4.44Å; K333-E336 WeakPolarHBondContact CD-OE2 3.42Å; K333-E336 IonicContact NZ-OE2 3.61Å; K333-E336 PolarHBondContact O-N 2.81Å; K333-E336 VanDerWaalsContact O-N 3.1Å; E334-E336 VanDerWaalsContact C-N 3.26Å; E334-E336 PolarHBondContact O-N 2.68Å; E336-V338 HydrophobicContact CB-CB 4.22Å; E336-V338 HydrophobicContact CB-CG2 4.4Å; E336-V338 WeakPolarHBondContact O-CG2 3.33Å; E336-V338 PolarHBondContact O-N 3.12Å; E336-V338 VanDerWaalsContact O-N 3.16Å
337	S	77.9	Confident	84.6	Confident	83 Å²	83	70.7 Å²	70.7	58%	0.58	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.7	33.6	-168.8	-61.7	0	0	0	0	113.1	Y332 K333 E334	Y332-S337 VanDerWaalsContact OH-CA 3.31Å; Y332-S337 WeakPolarHBondContact OH-CA 3.43Å; Y332-S337 WeakPolarHBondContact OH-CB 3.43Å; K333-S337 PolarHBondContact O-N 3.37Å; E334-S337 PolarHBondContact O-N 2.87Å
338	V	80.4	Confident	84.6	Confident	79 Å²	79	71 Å²	71	48%	0.479	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	133.4	-177.4	170.7	0	0	0	0	109.1	K333 E336 A340	K333-V338 PolarHBondContact N-O 2.8Å; K333-V338 PolarHBondContact O-N 2.86Å; E336-V338 HydrophobicContact CB-CB 4.22Å; E336-V338 HydrophobicContact CB-CG2 4.4Å; E336-V338 WeakPolarHBondContact O-CG2 3.33Å; E336-V338 PolarHBondContact O-N 3.12Å; E336-V338 VanDerWaalsContact O-N 3.16Å; V338-A340 PolarHBondContact O-N 3.43Å
339	N	80.6	Confident	84.7	Confident	84 Å²	84	71.6 Å²	71.6	45%	0.449	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	121.8	167.7	-76.7	-44.7	0	0	0	109.8	Y332 S430	Y332-N339 VanDerWaalsContact CD2-OD1 3.31Å; Y332-N339 WeakPolarHBondContact CD2-OD1 3.48Å; N339-S430 WeakPolarHBondContact CB-OG 3.31Å
340	A	82.4	Confident	85	Confident	17 Å²	17	74 Å²	74	14%	0.14	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	146.6	178.4	0	0	0	0	0	111.1	F331 K333 V338	F331-A340 HydrophobicContact CD1-CB 4.26Å; F331-A340 WeakPolarHBondContact CD1-O 3.19Å; F331-A340 HydrophobicContact CE1-CB 3.72Å; F331-A340 HydrophobicContact CE2-CB 4.1Å; F331-A340 HydrophobicContact CZ-CB 3.65Å; F331-A340 PolarHBondContact N-O 3.44Å; F331-A340 PolarHBondContact O-N 3.41Å; K333-A340 HydrophobicContact CD-CB 4.04Å; K333-A340 HydrophobicContact CG-CB 4.16Å; V338-A340 PolarHBondContact O-N 3.43Å
341	K	87.2	Confident	85.4	Confident	19 Å²	19	77.1 Å²	77.1	8%	0.083	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	131.3	173.7	-173.8	-179.5	172.4	-171.7	0	110.2	R329 F330 L343 H425 G427	R329-K341 HydrophobicContact CB-CG 4.48Å; R329-K341 CarbonylContact O-C 3.49Å; R329-K341 WeakPolarHBondContact O-CA 3.44Å; F330-K341 HydrophobicContact CD1-CB 4.02Å; F330-K341 HydrophobicContact CD1-CG 4.08Å; F330-K341 HydrophobicContact CE1-CB 3.95Å; F330-K341 HydrophobicContact CE1-CD 3.79Å; F330-K341 HydrophobicContact CE1-CG 3.76Å; F330-K341 HydrophobicContact CZ-CD 4.23Å; F330-K341 HydrophobicContact CZ-CG 4.44Å; K341-L343 HydrophobicContact CB-CD2 4.43Å; K341-L343 HydrophobicContact CD-CD2 3.82Å; K341-L343 HydrophobicContact CG-CD2 4.01Å; K341-L343 PolarHBondContact O-N 3.12Å; K341-H425 PolarHBondContact NZ-ND1 3.03Å; K341-H425 PolarHBondContact NZ-O 2.88Å; K341-G427 VanDerWaalsContact CD-O 3.31Å; K341-G427 WeakPolarHBondContact CD-O 3.5Å; K341-G427 PolarHBondContact NZ-O 2.89Å
342	V	86.4	Confident	86	Confident	31 Å²	31	73.1 Å²	73.1	19%	0.188	36%	0.362	C	S	.	.			trans	-77.2	100.3	172.4	-177.3	0	0	0	0	109	I278 R329 F331 K344	I278-V342 HydrophobicContact CB-CG1 4.48Å; I278-V342 HydrophobicContact CG2-CG1 3.82Å; R329-V342 HydrophobicContact CB-CB 4.35Å; R329-V342 PolarHBondContact NH1-O 2.99Å; R329-V342 WeakPolarHBondContact O-CG2 3.16Å; R329-V342 PolarHBondContact O-N 2.95Å; F331-V342 HydrophobicContact CD1-CG2 3.57Å; F331-V342 HydrophobicContact CE1-CG2 3.42Å; F331-V342 VanDerWaalsContact CE1-CG2 3.42Å; V342-K344 HydrophobicContact CG1-CB 3.76Å; V342-K344 PolarHBondContact O-N 3.36Å
343	L	86.7	Confident	86.6	Confident	52 Å²	52	70.5 Å²	70.5	27%	0.272	36%	0.357	S	S	.	.			trans	-84.1	8.1	178.2	-55.9	175	0	0	0	113.4	K341 R428 G468 I473	K341-L343 HydrophobicContact CB-CD2 4.43Å; K341-L343 HydrophobicContact CD-CD2 3.82Å; K341-L343 HydrophobicContact CG-CD2 4.01Å; K341-L343 PolarHBondContact O-N 3.12Å; L343-R428 HydrophobicContact CD1-CG 4.2Å; L343-G468 VanDerWaalsContact O-CA 3.25Å; L343-G468 WeakPolarHBondContact O-CA 3.41Å; L343-G468 PolarHBondContact O-N 3.5Å; L343-I473 HydrophobicContact CB-CD1 4.16Å; L343-I473 HydrophobicContact CD2-CD1 3.41Å; L343-I473 VanDerWaalsContact CD2-CD1 3.41Å; L343-I473 HydrophobicContact CG-CD1 4.39Å
344	K	87.9	Confident	87	Confident	60 Å²	60	66.7 Å²	66.7	26%	0.261	34%	0.34	S	S	.	.			trans	-61.5	141.8	-176.8	-168.4	-175.6	-177.7	-161.8	0	111.7	I278 N279 Q280 V282 R329 V342 V346	I278-K344 HydrophobicContact CG2-CD 4.36Å; N279-K344 PolarHBondContact O-NZ 3.18Å; Q280-K344 PolarHBondContact O-NZ 2.8Å; V282-K344 WeakPolarHBondContact O-CE 3.49Å; V282-K344 PolarHBondContact O-NZ 3.36Å; R329-K344 PolarHBondContact NH1-O 3.3Å; V342-K344 HydrophobicContact CG1-CB 3.76Å; V342-K344 PolarHBondContact O-N 3.36Å; K344-V346 PolarHBondContact O-N 2.92Å
345	D	92.2	Very high	87.5	Confident	58 Å²	58	61.5 Å²	61.5	31%	0.31	31%	0.314	S	S	.	.			trans	-67	119	170.3	-178.3	26.9	0	0	0	110.5	S466	D345-S466 WeakPolarHBondContact OD1-CB 3.33Å; D345-S466 PolarHBondContact OD1-OG 3.14Å
346	V	92.9	Very high	87.8	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.302	C	S	.	.			trans	-129.4	107.7	174.5	179.8	0	0	0	0	107.6	I278 V282 M327 K344 S466	I278-V346 HydrophobicContact CB-CG2 4.5Å; I278-V346 HydrophobicContact CD1-CG2 4.09Å; I278-V346 HydrophobicContact CG1-CG2 4.11Å; I278-V346 HydrophobicContact CG2-CG2 3.6Å; V282-V346 HydrophobicContact CG1-CG1 4.33Å; M327-V346 HydrophobicContact CE-CB 3.74Å; M327-V346 HydrophobicContact CE-CG1 3.8Å; K344-V346 PolarHBondContact O-N 2.92Å; V346-S466 PolarHBondContact N-O 2.93Å; V346-S466 WeakPolarHBondContact O-CB 3.49Å
347	K	93.6	Very high	88.4	Confident	109 Å²	109	53.1 Å²	53.1	47%	0.474	28%	0.279	S	S	.	.	B	Isolated β-bridge	trans	-72.7	131.5	-178.5	-64.4	-173.7	177.7	-173.7	0	110.3	K283 Y284 L285	K283-K347 PolarHBondContact O-N 2.92Å; Y284-K347 WeakPolarHBondContact CA-O 3.36Å; Y284-K347 HydrophobicContact CD1-CB 3.89Å; Y284-K347 HydrophobicContact CE1-CB 4.13Å; Y284-K347 HydrophobicContact CE1-CD 4.01Å; L285-K347 PolarHBondContact N-O 2.75Å
348	F	94.5	Very high	89	Confident	7 Å²	7	49.2 Å²	49.2	3%	0.031	25%	0.252	C	S	.	.			trans	-117.8	140.5	171.9	55.8	-93.4	0	0	0	109.1	L285 L419 I462 L465 A474 L477	L285-F348 HydrophobicContact CB-CB 4.15Å; L285-F348 HydrophobicContact CD2-CB 3.92Å; F348-L419 HydrophobicContact CD2-CD2 3.87Å; F348-L419 HydrophobicContact CE2-CD2 3.57Å; F348-I462 HydrophobicContact CE2-CG2 4.24Å; F348-I462 WeakPolarHBondContact CZ-O 3.3Å; F348-L465 HydrophobicContact CE1-CB 4.46Å; F348-L465 HydrophobicContact CZ-CB 4.18Å; F348-A474 HydrophobicContact CD1-CB 4.25Å; F348-A474 HydrophobicContact CE1-CB 3.61Å; F348-A474 HydrophobicContact CZ-CB 4.25Å; F348-L477 HydrophobicContact CB-CD1 3.66Å; F348-L477 HydrophobicContact CD1-CD1 4.17Å; F348-L477 HydrophobicContact CD1-CD2 4.3Å; F348-L477 HydrophobicContact CD2-CD1 4.25Å; F348-L477 HydrophobicContact CD2-CD2 4.08Å; F348-L477 HydrophobicContact CE1-CD2 4.32Å; F348-L477 HydrophobicContact CE2-CD2 4.12Å; F348-L477 HydrophobicContact CG-CD1 3.77Å; F348-L477 HydrophobicContact CG-CD2 4.18Å; F348-L477 HydrophobicContact CZ-CD2 4.23Å
349	P	93.6	Very high	89.5	Confident	51 Å²	51	45.7 Å²	45.7	33%	0.331	23%	0.23	S	C	.	.			trans	-80.9	152.8	-179.6	35.6	-36.6	0	0	0	111	M351 L352 Y479	P349-M351 VanDerWaalsContact C-N 3.29Å; P349-M351 VanDerWaalsContact CB-O 3.24Å; P349-M351 WeakPolarHBondContact CB-O 3.27Å; P349-M351 WeakPolarHBondContact CG-O 3.36Å; P349-L352 HydrophobicContact CG-CB 4.29Å; P349-L352 HydrophobicContact CG-CD1 3.96Å; P349-Y479 PolarHBondContact O-OH 2.71Å; P349-Y479 VanDerWaalsContact O-OH 3.13Å
350	L	91.9	Very high	89.9	Confident	54 Å²	54	45.2 Å²	45.2	28%	0.283	23%	0.232	S	C	.	.	S	Bend	trans	-70.1	-31.4	168	-63.8	178.5	0	0	0	111.4	L419 W446 P459 I462 L463	L350-L419 HydrophobicContact CD2-CD2 3.91Å; L350-L419 PolarHBondContact O-N 2.87Å; L350-W446 HydrophobicContact CD2-CZ2 4.3Å; L350-P459 HydrophobicContact CD1-CB 4.02Å; L350-I462 HydrophobicContact CD2-CG2 4.36Å; L350-L463 HydrophobicContact CD2-CD2 4.2Å; L350-L463 HydrophobicContact CD2-CG 4.5Å; L350-L463 HydrophobicContact CG-CD2 4.07Å; L350-L463 HydrophobicContact CG-CG 4.43Å
351	M	91.6	Very high	90.3	Very high	112 Å²	112	51.3 Å²	51.3	55%	0.552	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.8	114.4	174	-64.5	-178.2	-70.9	0	0	109.1	P349 Y417 D418	P349-M351 VanDerWaalsContact C-N 3.29Å; P349-M351 VanDerWaalsContact CB-O 3.24Å; P349-M351 WeakPolarHBondContact CB-O 3.27Å; P349-M351 WeakPolarHBondContact CG-O 3.36Å; M351-Y417 CarbonylContact C-O 3.53Å; M351-Y417 WeakPolarHBondContact CA-O 3.45Å; M351-D418 WeakPolarHBondContact CG-OD1 3.34Å
352	L	91.6	Very high	90.3	Very high	7 Å²	7	51 Å²	51	4%	0.037	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	127.6	-179.7	-179.4	70.3	0	0	0	110.1	L285 L323 P349 V354 Y417 Y479	L285-L352 HydrophobicContact CD2-CD1 4.37Å; L323-L352 HydrophobicContact CD2-CD2 4.04Å; P349-L352 HydrophobicContact CG-CB 4.29Å; P349-L352 HydrophobicContact CG-CD1 3.96Å; L352-V354 HydrophobicContact CD2-CG1 3.82Å; L352-V354 HydrophobicContact CG-CG1 3.9Å; L352-Y417 PolarHBondContact N-O 2.75Å; L352-Y417 PolarHBondContact O-N 3.25Å; L352-Y479 HydrophobicContact CB-CD1 3.78Å; L352-Y479 HydrophobicContact CB-CE1 3.55Å; L352-Y479 HydrophobicContact CB-CG 4.46Å; L352-Y479 HydrophobicContact CD2-CD1 4.24Å; L352-Y479 HydrophobicContact CD2-CD2 3.97Å; L352-Y479 HydrophobicContact CD2-CE1 4.24Å; L352-Y479 HydrophobicContact CD2-CE2 3.96Å; L352-Y479 HydrophobicContact CD2-CG 4.1Å; L352-Y479 HydrophobicContact CG-CE1 4.46Å
353	D	91.9	Very high	90.4	Very high	76 Å²	76	51.6 Å²	51.6	41%	0.406	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	121.5	168.6	-172	1.9	0	0	0	109.3	Y355 R370 Y416	D353-Y355 VanDerWaalsContact OD1-CB 3.25Å; D353-Y355 WeakPolarHBondContact OD1-CB 3.33Å; D353-Y355 PolarHBondContact OD1-N 2.85Å; D353-R370 VanDerWaalsContact CG-NH2 3.34Å; D353-R370 IonicContact OD1-CZ 2.69Å; D353-R370 IonicContact OD1-NH1 2.59Å; D353-R370 PolarHBondContact OD1-NH1 3.49Å; D353-R370 IonicContact OD1-NH2 2.74Å; D353-R370 PolarHBondContact OD1-NH2 3.33Å; D353-R370 VanDerWaalsContact OD1-NH2 3.15Å; D353-R370 IonicContact OD2-CZ 3.45Å; D353-R370 IonicContact OD2-NH1 3.25Å; D353-R370 IonicContact OD2-NH2 3.46Å; D353-R370 PolarHBondContact OD2-NH2 3.31Å; D353-Y416 HydrophobicContact CB-CD1 4.06Å; D353-Y416 HydrophobicContact CB-CE1 3.96Å
354	V	89.3	Confident	90.5	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.006	28%	0.276	C	S	.	.			trans	-106.7	7.8	179.7	-63.7	0	0	0	0	113.2	L319 L323 L352 E356 L357 L358 G415 Y417	L319-V354 HydrophobicContact CD1-CG2 3.65Å; L319-V354 HydrophobicContact CD2-CG2 3.98Å; L319-V354 HydrophobicContact CG-CG2 4.47Å; L323-V354 HydrophobicContact CD2-CG1 4.29Å; L352-V354 HydrophobicContact CD2-CG1 3.82Å; L352-V354 HydrophobicContact CG-CG1 3.9Å; V354-E356 VanDerWaalsContact C-N 3.3Å; V354-E356 PolarHBondContact O-N 3.46Å; V354-L357 WeakPolarHBondContact O-CB 3.45Å; V354-L357 PolarHBondContact O-N 3.4Å; V354-L358 HydrophobicContact CG2-CD2 4.16Å; V354-L358 WeakPolarHBondContact O-CG 3.46Å; V354-G415 WeakPolarHBondContact CG2-O 3.48Å; V354-G415 PolarHBondContact N-O 2.79Å; V354-Y417 HydrophobicContact CG2-CD2 4.25Å; V354-Y417 HydrophobicContact CG2-CE2 3.72Å
355	Y	88.7	Confident	90.4	Very high	54 Å²	54	59 Å²	59	21%	0.212	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-51	-44.8	-174.8	-170.5	-107.5	0	0	0	114.4	D353 L357 L358 Q363 L367 R370	D353-Y355 VanDerWaalsContact OD1-CB 3.25Å; D353-Y355 WeakPolarHBondContact OD1-CB 3.33Å; D353-Y355 PolarHBondContact OD1-N 2.85Å; Y355-L357 PolarHBondContact O-N 2.96Å; Y355-L357 VanDerWaalsContact O-N 3.16Å; Y355-L358 WeakPolarHBondContact O-CB 3.43Å; Y355-L358 WeakPolarHBondContact O-CG 3.27Å; Y355-L358 PolarHBondContact O-N 3.44Å; Y355-Q363 HydrophobicContact CD2-CG 4.16Å; Y355-Q363 HydrophobicContact CE1-CG 4.34Å; Y355-Q363 HydrophobicContact CE2-CB 3.73Å; Y355-Q363 HydrophobicContact CE2-CG 3.76Å; Y355-Q363 PolarHBondContact O-NE2 3.01Å; Y355-L367 WeakPolarHBondContact OH-CD2 3.36Å; Y355-R370 VanDerWaalsContact CD2-CZ 3.48Å
356	E	87.9	Confident	90.1	Very high	142 Å²	142	56.2 Å²	56.2	66%	0.664	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-64	-20.4	-179	-63.7	-173.5	171.6	0	0	113.4	R290 V354	R290-E356 IonicContact CZ-OE2 3.35Å; R290-E356 IonicContact NH2-OE2 3.61Å; R290-E356 PolarHBondContact NH2-OE2 3Å; V354-E356 VanDerWaalsContact C-N 3.3Å; V354-E356 PolarHBondContact O-N 3.46Å
357	L	87.8	Confident	89.7	Confident	20 Å²	20	60 Å²	60	11%	0.105	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-93.1	-4.8	-176.7	-51	-179	0	0	0	112.5	L289 R290 L293 L316 V354 Y355	L289-L357 HydrophobicContact CB-CD1 4.18Å; L289-L357 HydrophobicContact CD1-CD1 4.4Å; R290-L357 HydrophobicContact CB-CD2 4.4Å; R290-L357 HydrophobicContact CG-CD2 4.13Å; L293-L357 HydrophobicContact CD1-CB 3.94Å; L293-L357 HydrophobicContact CD1-CD1 4.39Å; L293-L357 HydrophobicContact CD1-CD2 3.78Å; L293-L357 HydrophobicContact CD1-CG 4.23Å; L316-L357 HydrophobicContact CD1-CB 3.83Å; L316-L357 PolarHBondContact N-O 2.98Å; V354-L357 WeakPolarHBondContact O-CB 3.45Å; V354-L357 PolarHBondContact O-N 3.4Å; Y355-L357 PolarHBondContact O-N 2.96Å; Y355-L357 VanDerWaalsContact O-N 3.16Å
358	L	89.6	Confident	89.3	Confident	1 Å²	1	58.8 Å²	58.8	1%	0.005	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-84.2	160.7	-175.7	-51.2	-173.7	0	0	0	112.6	L316 L319 V354 Y355 L362 Q363 M366	L316-L358 HydrophobicContact CB-CD2 3.66Å; L316-L358 HydrophobicContact CD1-CD2 3.92Å; L316-L358 HydrophobicContact CG-CD2 4.43Å; L319-L358 HydrophobicContact CD1-CD1 4.04Å; L319-L358 HydrophobicContact CD1-CD2 3.75Å; L319-L358 HydrophobicContact CD2-CD2 3.79Å; L319-L358 HydrophobicContact CG-CD2 3.8Å; V354-L358 HydrophobicContact CG2-CD2 4.16Å; V354-L358 WeakPolarHBondContact O-CG 3.46Å; Y355-L358 WeakPolarHBondContact O-CB 3.43Å; Y355-L358 WeakPolarHBondContact O-CG 3.27Å; Y355-L358 PolarHBondContact O-N 3.44Å; L358-L362 HydrophobicContact CB-CD2 4.32Å; L358-L362 HydrophobicContact CD1-CD2 4.07Å; L358-L362 HydrophobicContact CD1-CG 4.33Å; L358-L362 HydrophobicContact CD2-CD2 4.12Å; L358-L362 HydrophobicContact CG-CD2 4.37Å; L358-Q363 HydrophobicContact CB-CG 3.82Å; L358-M366 HydrophobicContact CD1-CG 4.49Å
359	T	90.8	Very high	88.8	Confident	5 Å²	5	59.9 Å²	59.9	3%	0.031	30%	0.303	C	S	.	.			trans	-67	148.7	166.3	52.2	0	0	0	0	111	E251 K315 L316 E361 L362 Q363	E251-T359 HydrophobicContact CB-CG2 4.15Å; K315-T359 HydrophobicContact CB-CG2 3.72Å; L316-T359 WeakPolarHBondContact O-CG2 3.44Å; L316-T359 PolarHBondContact O-N 2.9Å; L316-T359 PolarHBondContact O-OG1 2.96Å; T359-E361 VanDerWaalsContact C-N 3.25Å; T359-E361 PolarHBondContact O-N 3.3Å; T359-L362 PolarHBondContact O-N 3.03Å; T359-L362 VanDerWaalsContact O-N 3.13Å; T359-L362 VanDerWaalsContact OG1-CB 3.28Å; T359-L362 WeakPolarHBondContact OG1-CB 3.31Å; T359-Q363 WeakPolarHBondContact O-CG 3.48Å; T359-Q363 PolarHBondContact O-N 3.44Å
360	P	89.9	Confident	88.4	Confident	73 Å²	73	58.8 Å²	58.8	47%	0.474	29%	0.293	S	S	.	.	H	α-helix	trans	-56.6	-38.9	178.2	-25.3	35	0	0	0	113.1	L362 Q363 E364	P360-L362 VanDerWaalsContact C-N 3.34Å; P360-L362 PolarHBondContact O-N 3.25Å; P360-Q363 WeakPolarHBondContact O-CB 3.48Å; P360-Q363 PolarHBondContact O-N 3.46Å; P360-E364 PolarHBondContact O-N 2.82Å; P360-E364 VanDerWaalsContact O-N 3.12Å
361	E	89.7	Confident	88.1	Confident	145 Å²	145	59 Å²	59	68%	0.678	30%	0.299	S	S	*	.	H	α-helix	trans	-60.5	-42.9	177.3	-60.1	-178.7	-178.6	0	0	112.1	T359 K365	T359-E361 VanDerWaalsContact C-N 3.25Å; T359-E361 PolarHBondContact O-N 3.3Å; E361-K365 PolarHBondContact O-N 3.01Å
362	L	87.1	Confident	87.7	Confident	14 Å²	14	57.8 Å²	57.8	7%	0.073	29%	0.29	C	S	.	.	H	α-helix	trans	-72.5	-35.2	178.1	-170.4	66.6	0	0	0	111.5	L319 L358 T359 P360 E364 K365 M366 F405	L319-L362 HydrophobicContact CG-CD2 4.26Å; L358-L362 HydrophobicContact CB-CD2 4.32Å; L358-L362 HydrophobicContact CD1-CD2 4.07Å; L358-L362 HydrophobicContact CD1-CG 4.33Å; L358-L362 HydrophobicContact CD2-CD2 4.12Å; L358-L362 HydrophobicContact CG-CD2 4.37Å; T359-L362 PolarHBondContact O-N 3.03Å; T359-L362 VanDerWaalsContact O-N 3.13Å; T359-L362 VanDerWaalsContact OG1-CB 3.28Å; T359-L362 WeakPolarHBondContact OG1-CB 3.31Å; P360-L362 VanDerWaalsContact C-N 3.34Å; P360-L362 PolarHBondContact O-N 3.25Å; L362-E364 VanDerWaalsContact C-N 3.34Å; L362-E364 PolarHBondContact O-N 3.49Å; L362-K365 PolarHBondContact O-N 3.17Å; L362-M366 HydrophobicContact CD1-CE 3.49Å; L362-M366 VanDerWaalsContact CD1-CE 3.49Å; L362-M366 HydrophobicContact CD2-CE 3.89Å; L362-M366 HydrophobicContact CG-CE 3.55Å; L362-M366 HydrophobicContact CG-CG 4.48Å; L362-M366 WeakPolarHBondContact O-CG 3.28Å; L362-M366 PolarHBondContact O-N 3.23Å; L362-F405 HydrophobicContact CD1-CE2 4.47Å
363	Q	89	Confident	87.2	Confident	42 Å²	42	57.7 Å²	57.7	20%	0.196	29%	0.29	C	S	.	.	H	α-helix	trans	-57.6	-47.4	175.9	-73.7	175.1	-14	0	0	111.2	Y355 L358 T359 P360 K365 M366 L367	Y355-Q363 HydrophobicContact CD2-CG 4.16Å; Y355-Q363 HydrophobicContact CE1-CG 4.34Å; Y355-Q363 HydrophobicContact CE2-CB 3.73Å; Y355-Q363 HydrophobicContact CE2-CG 3.76Å; Y355-Q363 PolarHBondContact O-NE2 3.01Å; L358-Q363 HydrophobicContact CB-CG 3.82Å; T359-Q363 WeakPolarHBondContact O-CG 3.48Å; T359-Q363 PolarHBondContact O-N 3.44Å; P360-Q363 WeakPolarHBondContact O-CB 3.48Å; P360-Q363 PolarHBondContact O-N 3.46Å; Q363-K365 VanDerWaalsContact C-N 3.33Å; Q363-K365 PolarHBondContact O-N 3.03Å; Q363-M366 PolarHBondContact O-N 3.49Å; Q363-M366 VanDerWaalsContact O-N 3.12Å; Q363-L367 WeakPolarHBondContact O-CG 3.39Å; Q363-L367 PolarHBondContact O-N 3.26Å
364	E	89.2	Confident	86.7	Confident	142 Å²	142	60.5 Å²	60.5	66%	0.664	30%	0.298	S	S	*	.	H	α-helix	trans	-60.2	-41.1	178.5	-71.6	-177.4	177.2	0	0	112.5	P360 L362 M366 L367	P360-E364 PolarHBondContact O-N 2.82Å; P360-E364 VanDerWaalsContact O-N 3.12Å; L362-E364 VanDerWaalsContact C-N 3.34Å; L362-E364 PolarHBondContact O-N 3.49Å; E364-M366 PolarHBondContact O-N 3.01Å; E364-L367 PolarHBondContact O-N 3.21Å
365	K	86.7	Confident	86.4	Confident	125 Å²	125	65.9 Å²	65.9	54%	0.543	32%	0.323	S	S	.	.	H	α-helix	trans	-62.3	-29	176.5	-71.8	-173.9	176.3	-169.6	0	113.5	E361 L362 Q363 F405	E361-K365 PolarHBondContact O-N 3.01Å; L362-K365 PolarHBondContact O-N 3.17Å; Q363-K365 VanDerWaalsContact C-N 3.33Å; Q363-K365 PolarHBondContact O-N 3.03Å; K365-F405 HydrophobicContact CB-CE1 4.48Å; K365-F405 HydrophobicContact CB-CZ 4.32Å
366	M	85.7	Confident	85.9	Confident	1 Å²	1	64.8 Å²	64.8	1%	0.005	32%	0.32	C	S	.	.	H	α-helix	trans	-88.4	-19.4	-175.2	-58.2	-88	-179	0	0	113	L319 L358 L362 Q363 E364 P368 I369 R370 F405 N412 S414	L319-M366 HydrophobicContact CD1-CE 4.19Å; L358-M366 HydrophobicContact CD1-CG 4.49Å; L362-M366 HydrophobicContact CD1-CE 3.49Å; L362-M366 VanDerWaalsContact CD1-CE 3.49Å; L362-M366 HydrophobicContact CD2-CE 3.89Å; L362-M366 HydrophobicContact CG-CE 3.55Å; L362-M366 HydrophobicContact CG-CG 4.48Å; L362-M366 WeakPolarHBondContact O-CG 3.28Å; L362-M366 PolarHBondContact O-N 3.23Å; Q363-M366 PolarHBondContact O-N 3.49Å; Q363-M366 VanDerWaalsContact O-N 3.12Å; E364-M366 PolarHBondContact O-N 3.01Å; M366-P368 VanDerWaalsContact C-CD 3.43Å; M366-I369 PolarHBondContact O-N 2.8Å; M366-R370 HydrophobicContact CB-CG 4.43Å; M366-R370 WeakPolarHBondContact O-CB 3.48Å; M366-R370 WeakPolarHBondContact O-CG 3.21Å; M366-R370 PolarHBondContact O-N 3.27Å; M366-F405 HydrophobicContact CE-CE2 3.42Å; M366-F405 VanDerWaalsContact CE-CE2 3.42Å; M366-F405 HydrophobicContact CE-CZ 3.57Å; M366-F405 HydrophobicContact CG-CZ 4.3Å; M366-F405 HydrophobicContact SD-CE2 3.95Å; M366-F405 HydrophobicContact SD-CZ 3.57Å; M366-F405 VanDerWaalsContact SD-CZ 3.57Å; M366-N412 WeakPolarHBondContact CE-O 3.44Å; M366-S414 PolarHBondContact SD-N 2.88Å
367	L	84.4	Confident	85.4	Confident	80 Å²	80	61.5 Å²	61.5	42%	0.419	31%	0.305	S	S	.	.	H	α-helix	trans	-53.6	-42.9	-176.1	-73.7	173.9	0	0	0	114.6	Y355 Q363 E364 I369 R370 S371	Y355-L367 WeakPolarHBondContact OH-CD2 3.36Å; Q363-L367 WeakPolarHBondContact O-CG 3.39Å; Q363-L367 PolarHBondContact O-N 3.26Å; E364-L367 PolarHBondContact O-N 3.21Å; L367-I369 PolarHBondContact O-N 3.1Å; L367-R370 PolarHBondContact O-N 3.4Å; L367-S371 WeakPolarHBondContact O-CB 3.32Å; L367-S371 PolarHBondContact O-N 3.07Å; L367-S371 PolarHBondContact O-OG 2.83Å
368	P	85.4	Confident	85.1	Confident	82 Å²	82	64.2 Å²	64.2	53%	0.532	32%	0.32	S	S	.	.	H	α-helix	trans	-62.9	-45	-178.6	-22.5	34.1	0	0	0	112.3	M366 S371 K372	M366-P368 VanDerWaalsContact C-CD 3.43Å; P368-S371 PolarHBondContact O-N 2.94Å; P368-K372 PolarHBondContact O-N 2.77Å
369	I	84	Confident	84.7	Confident	30 Å²	30	68.7 Å²	68.7	15%	0.154	34%	0.339	C	S	.	.	H	α-helix	trans	-69.7	-43.2	179.6	-61.3	-60.7	0	0	0	110.4	M366 L367 S371 K372 F373 N413 L484	M366-I369 PolarHBondContact O-N 2.8Å; L367-I369 PolarHBondContact O-N 3.1Å; I369-S371 VanDerWaalsContact C-N 3.26Å; I369-S371 PolarHBondContact O-N 3.42Å; I369-K372 HydrophobicContact CD1-CD 4.47Å; I369-K372 WeakPolarHBondContact O-CB 3.49Å; I369-K372 PolarHBondContact O-N 3.04Å; I369-K372 VanDerWaalsContact O-N 3.13Å; I369-F373 HydrophobicContact CG2-CD2 3.82Å; I369-F373 HydrophobicContact CG2-CE2 3.64Å; I369-F373 WeakPolarHBondContact O-CD2 3.46Å; I369-F373 PolarHBondContact O-N 3.3Å; I369-N413 WeakPolarHBondContact CB-O 3.42Å; I369-L484 HydrophobicContact CG2-CD1 4.47Å
370	R	85.1	Confident	84	Confident	28 Å²	28	72.7 Å²	72.7	11%	0.106	36%	0.356	C	S	.	.	H	α-helix	trans	-60.1	-36	176.4	-71.4	178.3	73.7	101.8	-7.6	112.8	D353 Y355 M366 L367 F373 K374 S414 Y416	D353-R370 VanDerWaalsContact CG-NH2 3.34Å; D353-R370 IonicContact OD1-CZ 2.69Å; D353-R370 IonicContact OD1-NH1 2.59Å; D353-R370 PolarHBondContact OD1-NH1 3.49Å; D353-R370 IonicContact OD1-NH2 2.74Å; D353-R370 PolarHBondContact OD1-NH2 3.33Å; D353-R370 VanDerWaalsContact OD1-NH2 3.15Å; D353-R370 IonicContact OD2-CZ 3.45Å; D353-R370 IonicContact OD2-NH1 3.25Å; D353-R370 IonicContact OD2-NH2 3.46Å; D353-R370 PolarHBondContact OD2-NH2 3.31Å; Y355-R370 VanDerWaalsContact CD2-CZ 3.48Å; M366-R370 HydrophobicContact CB-CG 4.43Å; M366-R370 WeakPolarHBondContact O-CB 3.48Å; M366-R370 WeakPolarHBondContact O-CG 3.21Å; M366-R370 PolarHBondContact O-N 3.27Å; L367-R370 PolarHBondContact O-N 3.4Å; R370-F373 WeakPolarHBondContact O-CB 3.42Å; R370-F373 PolarHBondContact O-N 3.25Å; R370-K374 PolarHBondContact O-N 3.29Å; R370-S414 WeakPolarHBondContact CD-O 3.5Å; R370-S414 WeakPolarHBondContact CG-O 3.48Å; R370-S414 PolarHBondContact NH1-O 2.8Å; R370-S414 VanDerWaalsContact NH1-O 3.1Å; R370-Y416 HydrophobicContact CB-CE2 4.39Å; R370-Y416 HydrophobicContact CG-CE2 3.98Å; R370-Y416 PolarHBondContact NH2-OH 2.69Å
371	S	84	Confident	83.4	Confident	59 Å²	59	73.5 Å²	73.5	41%	0.413	36%	0.356	S	S	.	.	H	α-helix	trans	-64.7	-43.1	175.7	-56.8	0	0	0	0	111.2	L367 P368 I369 F373 K374 E375	L367-S371 WeakPolarHBondContact O-CB 3.32Å; L367-S371 PolarHBondContact O-N 3.07Å; L367-S371 PolarHBondContact O-OG 2.83Å; P368-S371 PolarHBondContact O-N 2.94Å; I369-S371 VanDerWaalsContact C-N 3.26Å; I369-S371 PolarHBondContact O-N 3.42Å; S371-F373 PolarHBondContact O-N 2.8Å; S371-K374 WeakPolarHBondContact O-CB 3.38Å; S371-K374 PolarHBondContact O-N 2.55Å; S371-E375 WeakPolarHBondContact O-CG 3.18Å; S371-E375 PolarHBondContact O-N 3.37Å
372	K	83.1	Confident	82.8	Confident	87 Å²	87	72 Å²	72	38%	0.378	35%	0.349	S	S	.	.	H	α-helix	trans	-59.7	-42.1	172.6	-69.3	-178.8	167.9	-166.1	0	112.9	P368 I369 K374 E375 M376 E401 L484	P368-K372 PolarHBondContact O-N 2.77Å; I369-K372 HydrophobicContact CD1-CD 4.47Å; I369-K372 WeakPolarHBondContact O-CB 3.49Å; I369-K372 PolarHBondContact O-N 3.04Å; I369-K372 VanDerWaalsContact O-N 3.13Å; K372-K374 VanDerWaalsContact C-N 3.32Å; K372-K374 PolarHBondContact O-N 2.88Å; K372-E375 PolarHBondContact O-N 3.06Å; K372-M376 WeakPolarHBondContact O-CB 3.44Å; K372-M376 WeakPolarHBondContact O-CG 3.39Å; K372-M376 PolarHBondContact O-N 2.85Å; K372-E401 IonicContact NZ-OE1 3.81Å; K372-E401 PolarHBondContact NZ-OE1 2.92Å; K372-E401 IonicContact NZ-OE2 3.9Å; K372-E401 PolarHBondContact NZ-OE2 3.1Å; K372-L484 HydrophobicContact CB-CD1 4.45Å
373	F	81.1	Confident	82.1	Confident	5 Å²	5	76.5 Å²	76.5	2%	0.022	37%	0.368	C	S	.	.	H	α-helix	trans	-57.4	-46.7	174.9	-89.3	-82.5	0	0	0	111.6	I369 R370 S371 M376 E377 Y416 R482 L484	I369-F373 HydrophobicContact CG2-CD2 3.82Å; I369-F373 HydrophobicContact CG2-CE2 3.64Å; I369-F373 WeakPolarHBondContact O-CD2 3.46Å; I369-F373 PolarHBondContact O-N 3.3Å; R370-F373 WeakPolarHBondContact O-CB 3.42Å; R370-F373 PolarHBondContact O-N 3.25Å; S371-F373 PolarHBondContact O-N 2.8Å; F373-M376 PolarHBondContact O-N 3.22Å; F373-E377 WeakPolarHBondContact O-CG 3.49Å; F373-E377 PolarHBondContact O-N 3.13Å; F373-Y416 HydrophobicContact CB-CD2 4.41Å; F373-Y416 HydrophobicContact CB-CE2 4.16Å; F373-Y416 HydrophobicContact CD1-CD2 4.43Å; F373-Y416 HydrophobicContact CD2-CD2 4.2Å; F373-Y416 HydrophobicContact CG-CD2 4.12Å; F373-Y416 HydrophobicContact CG-CE2 4.35Å; F373-R482 HydrophobicContact CE1-CB 4.23Å; F373-R482 HydrophobicContact CE1-CG 3.81Å; F373-R482 HydrophobicContact CZ-CB 4.37Å; F373-R482 HydrophobicContact CZ-CG 4.42Å; F373-L484 HydrophobicContact CB-CD2 4.48Å; F373-L484 HydrophobicContact CD1-CD1 4.23Å; F373-L484 HydrophobicContact CD1-CD2 3.45Å; F373-L484 VanDerWaalsContact CD1-CD2 3.45Å; F373-L484 HydrophobicContact CD1-CG 3.72Å; F373-L484 HydrophobicContact CD2-CD1 3.53Å; F373-L484 HydrophobicContact CD2-CD2 4.23Å; F373-L484 HydrophobicContact CD2-CG 3.94Å; F373-L484 HydrophobicContact CE1-CD1 4.11Å; F373-L484 HydrophobicContact CE1-CD2 3.62Å; F373-L484 HydrophobicContact CE1-CG 3.41Å; F373-L484 VanDerWaalsContact CE1-CG 3.41Å; F373-L484 HydrophobicContact CE2-CD1 3.34Å; F373-L484 HydrophobicContact CE2-CD2 4.34Å; F373-L484 HydrophobicContact CE2-CG 3.61Å; F373-L484 HydrophobicContact CG-CD1 3.98Å; F373-L484 HydrophobicContact CG-CD2 3.8Å; F373-L484 HydrophobicContact CG-CG 3.99Å; F373-L484 HydrophobicContact CZ-CB 4.43Å; F373-L484 HydrophobicContact CZ-CD1 3.7Å; F373-L484 HydrophobicContact CZ-CD2 4.1Å; F373-L484 HydrophobicContact CZ-CG 3.38Å
374	K	82.6	Confident	80.9	Confident	134 Å²	134	81.3 Å²	81.3	58%	0.583	39%	0.391	S	S	*	.	H	α-helix	trans	-62.4	-47.3	179.1	-171.7	179	178.3	-176.5	0	112.1	R370 S371 K372 M376 E377 D378	R370-K374 PolarHBondContact O-N 3.29Å; S371-K374 WeakPolarHBondContact O-CB 3.38Å; S371-K374 PolarHBondContact O-N 2.55Å; K372-K374 VanDerWaalsContact C-N 3.32Å; K372-K374 PolarHBondContact O-N 2.88Å; K374-M376 VanDerWaalsContact C-N 3.28Å; K374-M376 PolarHBondContact O-N 3.01Å; K374-E377 PolarHBondContact O-N 2.96Å; K374-D378 WeakPolarHBondContact O-CB 3.36Å; K374-D378 VanDerWaalsContact O-CG 3.3Å; K374-D378 PolarHBondContact O-N 2.96Å
375	E	83.1	Confident	79.6	Confident	115 Å²	115	81.4 Å²	81.4	54%	0.537	39%	0.391	S	S	.	.	H	α-helix	trans	-59.7	-38.6	177.3	-71.5	176.3	-168	0	0	112.6	S371 K372 K379	S371-E375 WeakPolarHBondContact O-CG 3.18Å; S371-E375 PolarHBondContact O-N 3.37Å; K372-E375 PolarHBondContact O-N 3.06Å; E375-K379 WeakPolarHBondContact O-CB 3.21Å; E375-K379 VanDerWaalsContact O-CG 3.26Å; E375-K379 WeakPolarHBondContact O-CG 3.45Å; E375-K379 PolarHBondContact O-N 3.04Å
376	M	77	Confident	78.5	Confident	30 Å²	30	83 Å²	83	15%	0.148	40%	0.4	C	S	.	.	H	α-helix	trans	-68.7	-40.6	177.2	-81.9	-69.6	-68.2	0	0	112.5	K372 F373 K374 K379 K380 L484 E485 L487	K372-M376 WeakPolarHBondContact O-CB 3.44Å; K372-M376 WeakPolarHBondContact O-CG 3.39Å; K372-M376 PolarHBondContact O-N 2.85Å; F373-M376 PolarHBondContact O-N 3.22Å; K374-M376 VanDerWaalsContact C-N 3.28Å; K374-M376 PolarHBondContact O-N 3.01Å; M376-K379 PolarHBondContact O-N 2.91Å; M376-K380 WeakPolarHBondContact O-CB 3.46Å; M376-K380 WeakPolarHBondContact O-CG 3.4Å; M376-K380 PolarHBondContact O-N 3.47Å; M376-L484 HydrophobicContact CB-CD2 4.27Å; M376-L484 HydrophobicContact CG-CD2 4.2Å; M376-E485 WeakPolarHBondContact CE-O 3.36Å; M376-L487 HydrophobicContact CE-CD1 3.67Å; M376-L487 HydrophobicContact CE-CG 3.79Å; M376-L487 HydrophobicContact SD-CD1 3.53Å; M376-L487 VanDerWaalsContact SD-CD1 3.53Å; M376-L487 HydrophobicContact SD-CG 4.15Å
377	E	78.7	Confident	76.9	Confident	73 Å²	73	90 Å²	90	34%	0.341	43%	0.431	S	S	.	.	H	α-helix	trans	-63.8	-44.7	173.7	-75	-176.3	146.5	0	0	111.4	F373 K374 K379 K380 L381 R482	F373-E377 WeakPolarHBondContact O-CG 3.49Å; F373-E377 PolarHBondContact O-N 3.13Å; K374-E377 PolarHBondContact O-N 2.96Å; E377-K379 PolarHBondContact O-N 3.01Å; E377-K380 PolarHBondContact O-N 3.28Å; E377-K380 VanDerWaalsContact O-N 3.15Å; E377-L381 WeakPolarHBondContact O-CB 3.47Å; E377-L381 PolarHBondContact O-N 2.85Å; E377-R482 IonicContact OE1-CZ 3.64Å; E377-R482 IonicContact OE1-NH1 3.33Å; E377-R482 PolarHBondContact OE1-NH1 3.39Å; E377-R482 IonicContact OE1-NH2 2.79Å; E377-R482 PolarHBondContact OE1-NH2 3.24Å
378	D	81	Confident	75.1	Confident	77 Å²	77	92.2 Å²	92.2	41%	0.412	45%	0.447	S	S	.	.	H	α-helix	trans	-60.3	-46.3	176.6	-70	-21.5	0	0	0	110.5	K374 K380 L381 E382	K374-D378 WeakPolarHBondContact O-CB 3.36Å; K374-D378 VanDerWaalsContact O-CG 3.3Å; K374-D378 PolarHBondContact O-N 2.96Å; D378-K380 PolarHBondContact O-N 2.82Å; D378-L381 PolarHBondContact O-N 2.97Å; D378-E382 WeakPolarHBondContact O-CG 3.42Å; D378-E382 PolarHBondContact O-N 3.4Å
379	K	81	Confident	73.2	Confident	96 Å²	96	95.9 Å²	95.9	42%	0.417	46%	0.461	S	S	.	.	H	α-helix	trans	-60.8	-39.6	173.6	-76.1	174.1	-177.8	176.7	0	112.9	E375 M376 E377 K383	E375-K379 WeakPolarHBondContact O-CB 3.21Å; E375-K379 VanDerWaalsContact O-CG 3.26Å; E375-K379 WeakPolarHBondContact O-CG 3.45Å; E375-K379 PolarHBondContact O-N 3.04Å; M376-K379 PolarHBondContact O-N 2.91Å; E377-K379 PolarHBondContact O-N 3.01Å; K379-K383 WeakPolarHBondContact O-CB 3.13Å; K379-K383 VanDerWaalsContact O-CG 3.28Å; K379-K383 WeakPolarHBondContact O-CG 3.37Å; K379-K383 PolarHBondContact O-N 3.48Å
380	K	76.8	Confident	71	Confident	89 Å²	89	103.5 Å²	103.5	39%	0.387	49%	0.494	S	S	.	.	H	α-helix	trans	-65.9	-41.4	176.2	-81.4	-173.4	178.2	-169.7	0	110.7	M376 E377 D378 K383 Q384 E485	M376-K380 WeakPolarHBondContact O-CB 3.46Å; M376-K380 WeakPolarHBondContact O-CG 3.4Å; M376-K380 PolarHBondContact O-N 3.47Å; E377-K380 PolarHBondContact O-N 3.28Å; E377-K380 VanDerWaalsContact O-N 3.15Å; D378-K380 PolarHBondContact O-N 2.82Å; K380-K383 PolarHBondContact O-N 3.19Å; K380-Q384 WeakPolarHBondContact O-CG 3.4Å; K380-Q384 PolarHBondContact O-N 3.45Å; K380-E485 WeakPolarHBondContact CE-OE2 3.22Å; K380-E485 IonicContact NZ-OE2 2.75Å; K380-E485 PolarHBondContact NZ-OE2 2.84Å
381	L	76.3	Confident	68.6	Low	89 Å²	89	111.6 Å²	111.6	47%	0.466	53%	0.529	S	S	.	.	H	α-helix	trans	-65.3	-45.2	178	-169.6	72.2	0	0	0	111.5	E377 D378 K383 Q384 Q385	E377-L381 WeakPolarHBondContact O-CB 3.47Å; E377-L381 PolarHBondContact O-N 2.85Å; D378-L381 PolarHBondContact O-N 2.97Å; L381-K383 VanDerWaalsContact C-N 3.34Å; L381-K383 PolarHBondContact O-N 3.37Å; L381-Q384 PolarHBondContact O-N 3.41Å; L381-Q385 WeakPolarHBondContact O-CG 3.31Å; L381-Q385 PolarHBondContact O-N 2.81Å
382	E	76.8	Confident	66.3	Low	113 Å²	113	115 Å²	115	53%	0.528	55%	0.55	S	S	.	*	H	α-helix	trans	-59.4	-43.8	174.6	-73.2	177.8	171.9	0	0	111.7	D378 Q384 Q385 Q386	D378-E382 WeakPolarHBondContact O-CG 3.42Å; D378-E382 PolarHBondContact O-N 3.4Å; E382-Q384 PolarHBondContact O-N 2.98Å; E382-Q385 PolarHBondContact O-N 3.46Å; E382-Q386 WeakPolarHBondContact O-CG 3.45Å; E382-Q386 PolarHBondContact O-N 2.78Å
383	K	73.6	Confident	64	Low	109 Å²	109	118.4 Å²	118.4	47%	0.474	57%	0.573	S	S	.	*	H	α-helix	trans	-64.8	-36.5	175.5	-75.6	176.3	-178.7	-179.6	0	112.6	K379 K380 L381 Q386 K387	K379-K383 WeakPolarHBondContact O-CB 3.13Å; K379-K383 VanDerWaalsContact O-CG 3.28Å; K379-K383 WeakPolarHBondContact O-CG 3.37Å; K379-K383 PolarHBondContact O-N 3.48Å; K380-K383 PolarHBondContact O-N 3.19Å; L381-K383 VanDerWaalsContact C-N 3.34Å; L381-K383 PolarHBondContact O-N 3.37Å; K383-Q386 PolarHBondContact O-N 2.82Å; K383-K387 WeakPolarHBondContact O-CB 3.31Å; K383-K387 WeakPolarHBondContact O-CG 3.44Å; K383-K387 PolarHBondContact O-N 2.93Å
384	Q	64.4	Low	61.9	Low	144 Å²	144	121.9 Å²	121.9	67%	0.673	60%	0.602	S	S	*	*	H	α-helix	trans	-67.8	-38.2	174.4	-79.9	-176.3	0.1	0	0	111.7	K380 L381 E382 Q386 K387	K380-Q384 WeakPolarHBondContact O-CG 3.4Å; K380-Q384 PolarHBondContact O-N 3.45Å; L381-Q384 PolarHBondContact O-N 3.41Å; E382-Q384 PolarHBondContact O-N 2.98Å; Q384-Q386 VanDerWaalsContact C-N 3.28Å; Q384-Q386 PolarHBondContact O-N 3.2Å; Q384-K387 PolarHBondContact O-N 3.38Å
385	Q	62	Low	59.9	Low	144 Å²	144	121.4 Å²	121.4	67%	0.673	62%	0.616	S	S	*	*	H	α-helix	trans	-67.1	-28.8	174.5	-70.1	177.4	16.3	0	0	112.5	L381 E382	L381-Q385 WeakPolarHBondContact O-CG 3.31Å; L381-Q385 PolarHBondContact O-N 2.81Å; E382-Q385 PolarHBondContact O-N 3.46Å
386	Q	61.7	Low	58.2	Low	158 Å²	158	123.3 Å²	123.3	74%	0.738	62%	0.622	S	S	*	*	H	α-helix	trans	-86.9	-18.3	177.7	-70.5	177.5	10.3	0	0	114.5	E382 K383 Q384 V388	E382-Q386 WeakPolarHBondContact O-CG 3.45Å; E382-Q386 PolarHBondContact O-N 2.78Å; K383-Q386 PolarHBondContact O-N 2.82Å; Q384-Q386 VanDerWaalsContact C-N 3.28Å; Q384-Q386 PolarHBondContact O-N 3.2Å; Q386-V388 PolarHBondContact O-N 3.24Å
387	K	52.3	Low	56.6	Low	149 Å²	149	131 Å²	131	65%	0.648	66%	0.658	S	S	*	*			trans	-86.1	87.2	-179.7	-84.2	-175.6	176.4	-176.9	0	112.1	K383 Q384	K383-K387 WeakPolarHBondContact O-CB 3.31Å; K383-K387 WeakPolarHBondContact O-CG 3.44Å; K383-K387 PolarHBondContact O-N 2.93Å; Q384-K387 PolarHBondContact O-N 3.38Å
388	V	46.5	Very low	55.6	Low	126 Å²	126	130.3 Å²	130.3	76%	0.764	66%	0.658	S	S	*	*	S	Bend	trans	-93.2	-20.3	161.4	177.6	0	0	0	0	113.2	Q386	Q386-V388 PolarHBondContact O-N 3.24Å
389	L	45.4	Very low	54.7	Low	158 Å²	158	132.3 Å²	132.3	83%	0.827	66%	0.664	S	S	*	*	S	Bend	trans	-151.8	108.4	168.6	-75.1	104.3	0	0	0	111.3
390	K	38.5	Very low	54.3	Low	191 Å²	191	133 Å²	133	83%	0.83	66%	0.664	S	S	*	*			trans	-166.6	129.5	146.7	-106.3	166.8	-172.9	-172	0	109.7
391	K	35	Very low	54.1	Low	197 Å²	197	131.1 Å²	131.1	86%	0.857	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-57.1	153.9	177.2	-80.3	-179	174.7	-179.7	0	111.3	D393	K391-D393 PolarHBondContact O-N 3.18Å
392	P	36.2	Very low	54.1	Low	131 Å²	131	131.7 Å²	131.7	85%	0.851	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-66.6	118.4	176.9	28.1	-31.3	0	0	0	108.7
393	D	33.6	Very low	54.3	Low	159 Å²	159	127.7 Å²	127.7	85%	0.85	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-78.5	149.8	171.1	-127.3	-25.5	0	0	0	109.6	K391	K391-D393 PolarHBondContact O-N 3.18Å
394	A	37.7	Very low	54.5	Low	78 Å²	78	123.4 Å²	123.4	65%	0.645	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-56.2	149.5	-173.4	0	0	0	0	0	113	K396	A394-K396 PolarHBondContact O-N 2.89Å
395	S	40.9	Very low	55.1	Low	123 Å²	123	118.1 Å²	118.1	86%	0.86	61%	0.605	S	S	*	*			trans	-39.5	96.5	177.7	50.1	0	0	0	0	113.4
396	K	47	Very low	55.7	Low	155 Å²	155	117.5 Å²	117.5	67%	0.674	61%	0.614	S	S	*	*			trans	-69.8	133.3	160.6	-70.9	-172.5	175.1	-170.8	0	107.4	A394 V398 E490	A394-K396 PolarHBondContact O-N 2.89Å; K396-V398 WeakPolarHBondContact O-CG2 3.42Å; K396-V398 PolarHBondContact O-N 3.45Å; K396-E490 IonicContact NZ-OE1 3.87Å; K396-E490 PolarHBondContact NZ-OE1 3.02Å
397	E	43.6	Very low	56.4	Low	192 Å²	192	115.9 Å²	115.9	90%	0.897	61%	0.61	S	S	*	*			trans	-62.2	106.3	171.1	-74	-174.9	163.7	0	0	108.8	K399	E397-K399 PolarHBondContact O-N 2.87Å
398	V	58.2	Low	57.6	Low	59 Å²	59	110.7 Å²	110.7	36%	0.358	59%	0.59	S	S	.	*			trans	-79.2	112.8	-179.5	-176.1	0	0	0	0	108.6	K396 Y400 E485	K396-V398 WeakPolarHBondContact O-CG2 3.42Å; K396-V398 PolarHBondContact O-N 3.45Å; V398-Y400 HydrophobicContact CB-CE2 4.41Å; V398-Y400 HydrophobicContact CG1-CD1 4.28Å; V398-Y400 HydrophobicContact CG1-CE1 3.84Å; V398-Y400 HydrophobicContact CG1-CE2 4.44Å; V398-Y400 WeakPolarHBondContact O-CD2 3.48Å; V398-Y400 WeakPolarHBondContact O-CE2 3.43Å; V398-E485 HydrophobicContact CG1-CB 3.56Å; V398-E485 HydrophobicContact CG1-CG 3.47Å; V398-E485 VanDerWaalsContact CG1-CG 3.47Å
399	K	60.5	Low	59.1	Low	119 Å²	119	107.1 Å²	107.1	52%	0.517	57%	0.566	S	S	.	*			trans	-77.7	134.9	168.5	-69.3	176.6	-174.5	159.3	0	108.6	E397 I486 E488	E397-K399 PolarHBondContact O-N 2.87Å; K399-I486 HydrophobicContact CB-CB 4.34Å; K399-I486 HydrophobicContact CB-CD1 4.2Å; K399-I486 WeakPolarHBondContact O-CB 3.38Å; K399-I486 PolarHBondContact O-N 3.29Å; K399-E488 IonicContact NZ-OE1 2.77Å; K399-E488 PolarHBondContact NZ-OE1 2.9Å
400	Y	73.7	Confident	60.7	Low	109 Å²	109	99.6 Å²	99.6	43%	0.427	53%	0.526	S	S	.	.	B	Isolated β-bridge	trans	-104.8	141.9	-180	-63.6	-76.8	0	0	0	111.1	V398 R483 L484 E485	V398-Y400 HydrophobicContact CB-CE2 4.41Å; V398-Y400 HydrophobicContact CG1-CD1 4.28Å; V398-Y400 HydrophobicContact CG1-CE1 3.84Å; V398-Y400 HydrophobicContact CG1-CE2 4.44Å; V398-Y400 WeakPolarHBondContact O-CD2 3.48Å; V398-Y400 WeakPolarHBondContact O-CE2 3.43Å; Y400-R483 HydrophobicContact CD1-CB 3.45Å; Y400-R483 VanDerWaalsContact CD1-CB 3.45Å; Y400-R483 HydrophobicContact CD1-CG 4.46Å; Y400-R483 HydrophobicContact CE1-CB 4.01Å; Y400-R483 HydrophobicContact CG-CB 3.94Å; Y400-L484 CarbonylContact C-O 3.56Å; Y400-L484 WeakPolarHBondContact CA-O 3.42Å; Y400-E485 HydrophobicContact CD1-CG 4.24Å; Y400-E485 HydrophobicContact CE1-CG 3.84Å
401	E	72.4	Confident	63	Low	51 Å²	51	90.5 Å²	90.5	24%	0.238	49%	0.487	C	S	.	.			trans	-65.2	150.6	167.6	-73.7	-160.1	172.3	0	0	110	K372 F403 L484 I486	K372-E401 IonicContact NZ-OE1 3.81Å; K372-E401 PolarHBondContact NZ-OE1 2.92Å; K372-E401 IonicContact NZ-OE2 3.9Å; K372-E401 PolarHBondContact NZ-OE2 3.1Å; E401-F403 PolarHBondContact O-N 3.48Å; E401-L484 HydrophobicContact CB-CB 4.08Å; E401-L484 HydrophobicContact CG-CB 4.35Å; E401-L484 PolarHBondContact N-O 3.21Å; E401-I486 HydrophobicContact CB-CG1 4.41Å; E401-I486 HydrophobicContact CG-CD1 4.13Å; E401-I486 HydrophobicContact CG-CG1 3.57Å
402	P	76.8	Confident	65.5	Low	101 Å²	101	81.2 Å²	81.2	66%	0.656	45%	0.447	S	S	*	.			trans	-62.3	130.9	174.2	26.3	-33.6	0	0	0	110.6	N413	P402-N413 PolarHBondContact O-ND2 3.23Å
403	F	80.7	Confident	67.8	Low	28 Å²	28	75.5 Å²	75.5	12%	0.123	41%	0.409	C	S	.	.			trans	-89.2	-9.4	-179.9	58.2	-100.3	0	0	0	113.8	E128 A321 E401 N412 N413 P481	E128-F403 WeakPolarHBondContact OE1-CZ 3.45Å; A321-F403 HydrophobicContact CB-CD2 4.05Å; A321-F403 HydrophobicContact CB-CE2 3.67Å; E401-F403 PolarHBondContact O-N 3.48Å; F403-N412 WeakPolarHBondContact O-CA 3.34Å; F403-N413 VanDerWaalsContact C-CG 3.48Å; F403-N413 PolarHBondContact O-N 3.44Å; F403-N413 PolarHBondContact O-OD1 3.46Å; F403-N413 VanDerWaalsContact O-OD1 3.1Å; F403-P481 HydrophobicContact CB-CB 3.75Å; F403-P481 HydrophobicContact CB-CG 4.43Å; F403-P481 HydrophobicContact CD1-CB 4.3Å; F403-P481 HydrophobicContact CD1-CG 4.05Å; F403-P481 HydrophobicContact CD2-CB 3.64Å; F403-P481 HydrophobicContact CD2-CG 3.73Å; F403-P481 HydrophobicContact CE1-CG 4.23Å; F403-P481 HydrophobicContact CE2-CB 4.33Å; F403-P481 HydrophobicContact CE2-CG 3.94Å; F403-P481 HydrophobicContact CG-CB 3.62Å; F403-P481 HydrophobicContact CG-CG 3.8Å; F403-P481 HydrophobicContact CZ-CG 4.17Å
404	S	78.3	Confident	70.1	Confident	19 Å²	19	67.9 Å²	67.9	13%	0.133	37%	0.368	C	S	.	.	S	Bend	trans	-101	153.7	176.9	-63.6	0	0	0	0	111.6	G410 S411 N413	S404-G410 PolarHBondContact OG-N 3.29Å; S404-S411 WeakPolarHBondContact CA-O 3.24Å; S404-S411 WeakPolarHBondContact CB-O 2.99Å; S404-S411 PolarHBondContact OG-O 3.24Å; S404-N413 PolarHBondContact O-ND2 2.93Å
405	F	76.8	Confident	72.3	Confident	34 Å²	34	64.2 Å²	64.2	15%	0.149	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-66.4	142.8	169.3	-72.6	-68.1	0	0	0	111	L362 K365 M366 D407 D408 S411 N412 N413	L362-F405 HydrophobicContact CD1-CE2 4.47Å; K365-F405 HydrophobicContact CB-CE1 4.48Å; K365-F405 HydrophobicContact CB-CZ 4.32Å; M366-F405 HydrophobicContact CE-CE2 3.42Å; M366-F405 VanDerWaalsContact CE-CE2 3.42Å; M366-F405 HydrophobicContact CE-CZ 3.57Å; M366-F405 HydrophobicContact CG-CZ 4.3Å; M366-F405 HydrophobicContact SD-CE2 3.95Å; M366-F405 HydrophobicContact SD-CZ 3.57Å; M366-F405 VanDerWaalsContact SD-CZ 3.57Å; F405-D407 WeakPolarHBondContact CB-OD1 3.48Å; F405-D407 PolarHBondContact O-N 3.26Å; F405-D408 HydrophobicContact CB-CB 4.36Å; F405-D408 CarbonylContact O-C 3.57Å; F405-D408 PolarHBondContact O-N 3.16Å; F405-S411 WeakPolarHBondContact CB-OG 3.37Å; F405-S411 VanDerWaalsContact CD2-OG 3.3Å; F405-S411 WeakPolarHBondContact CD2-OG 3.21Å; F405-S411 PolarHBondContact N-OG 2.9Å; F405-N412 WeakPolarHBondContact CE2-O 3.41Å; F405-N413 HydrophobicContact CD1-CB 3.78Å; F405-N413 HydrophobicContact CD2-CB 4.18Å; F405-N413 HydrophobicContact CE1-CB 3.73Å; F405-N413 HydrophobicContact CE2-CB 4.13Å; F405-N413 HydrophobicContact CG-CB 4Å; F405-N413 HydrophobicContact CZ-CB 3.91Å
406	P	73.5	Confident	74.7	Confident	131 Å²	131	60.6 Å²	60.6	85%	0.851	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-31.1	176.9	-22.8	33.7	0	0	0	113.6
407	D	76.1	Confident	76.9	Confident	123 Å²	123	53.2 Å²	53.2	66%	0.658	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-12.5	178.9	55.3	-48.1	0	0	0	113.8	F405	F405-D407 WeakPolarHBondContact CB-OD1 3.48Å; F405-D407 PolarHBondContact O-N 3.26Å
408	D	78.1	Confident	79.2	Confident	41 Å²	41	45.9 Å²	45.9	22%	0.219	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-145.5	88.8	-176.2	-172.7	14.2	0	0	0	111.9	R318 F405 G410 S411	R318-D408 IonicContact CZ-OD1 2.76Å; R318-D408 IonicContact CZ-OD2 2.72Å; R318-D408 IonicContact NE-OD1 3.41Å; R318-D408 PolarHBondContact NE-OD1 3.36Å; R318-D408 IonicContact NE-OD2 3.48Å; R318-D408 PolarHBondContact NE-OD2 2.69Å; R318-D408 IonicContact NH2-OD1 3.15Å; R318-D408 PolarHBondContact NH2-OD1 3.27Å; R318-D408 IonicContact NH2-OD2 3.77Å; R318-D408 PolarHBondContact NH2-OD2 3.29Å; F405-D408 HydrophobicContact CB-CB 4.36Å; F405-D408 CarbonylContact O-C 3.57Å; F405-D408 PolarHBondContact O-N 3.16Å; D408-G410 PolarHBondContact O-N 3.24Å; D408-S411 VanDerWaalsContact O-CB 3.23Å; D408-S411 WeakPolarHBondContact O-CB 3.43Å; D408-S411 PolarHBondContact O-N 2.85Å; D408-S411 VanDerWaalsContact O-N 3.17Å; D408-S411 PolarHBondContact O-OG 2.85Å
409	L	78.9	Confident	81	Confident	50 Å²	50	43.2 Å²	43.2	26%	0.262	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	132.5	-178.6	-165	145.7	0	0	0	111.2	L218 P220 Y245 S411	L218-L409 HydrophobicContact CB-CD2 3.83Å; P220-L409 HydrophobicContact CB-CD1 4.2Å; Y245-L409 HydrophobicContact CE2-CD2 3.8Å; Y245-L409 VanDerWaalsContact OH-CD2 3.29Å; Y245-L409 WeakPolarHBondContact OH-CD2 3.33Å; L409-S411 VanDerWaalsContact C-N 3.32Å
410	G	79	Confident	82.6	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.4	1.2	-175.1	0	0	0	0	0	114.1	Q244 P320 A321 S404 D408	Q244-G410 CarbonylContact O-C 3.56Å; P320-G410 CarbonylContact C-O 3.57Å; A321-G410 VanDerWaalsContact CB-O 3.3Å; A321-G410 WeakPolarHBondContact CB-O 3.44Å; A321-G410 PolarHBondContact N-O 2.89Å; S404-G410 PolarHBondContact OG-N 3.29Å; D408-G410 PolarHBondContact O-N 3.24Å
411	S	86.3	Confident	83.7	Confident	1 Å²	1	34.1 Å²	34.1	1%	0.007	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-75.9	167.8	166.9	65.6	0	0	0	0	112.4	L319 S404 F405 D408 L409	L319-S411 CarbonylContact O-C 3.55Å; L319-S411 VanDerWaalsContact O-CA 3.23Å; L319-S411 WeakPolarHBondContact O-CA 3.45Å; S404-S411 WeakPolarHBondContact CA-O 3.24Å; S404-S411 WeakPolarHBondContact CB-O 2.99Å; S404-S411 PolarHBondContact OG-O 3.24Å; F405-S411 WeakPolarHBondContact CB-OG 3.37Å; F405-S411 VanDerWaalsContact CD2-OG 3.3Å; F405-S411 WeakPolarHBondContact CD2-OG 3.21Å; F405-S411 PolarHBondContact N-OG 2.9Å; D408-S411 VanDerWaalsContact O-CB 3.23Å; D408-S411 WeakPolarHBondContact O-CB 3.43Å; D408-S411 PolarHBondContact O-N 2.85Å; D408-S411 VanDerWaalsContact O-N 3.17Å; D408-S411 PolarHBondContact O-OG 2.85Å; L409-S411 VanDerWaalsContact C-N 3.32Å
412	N	87.6	Confident	84.8	Confident	1 Å²	1	31.7 Å²	31.7	1%	0.005	18%	0.176	C	C	.	.			trans	-105.7	127.8	166.6	-176.3	-26.5	0	0	0	109.6	L319 P320 M366 F403 F405 S414 G415 Y416 Y417	L319-N412 HydrophobicContact CB-CB 4.23Å; L319-N412 PolarHBondContact O-N 3.43Å; P320-N412 WeakPolarHBondContact O-CB 3.07Å; M366-N412 WeakPolarHBondContact CE-O 3.44Å; F403-N412 WeakPolarHBondContact O-CA 3.34Å; F405-N412 WeakPolarHBondContact CE2-O 3.41Å; N412-S414 PolarHBondContact OD1-N 2.77Å; N412-S414 PolarHBondContact OD1-OG 2.93Å; N412-G415 PolarHBondContact OD1-N 2.94Å; N412-G415 VanDerWaalsContact OD1-N 3.15Å; N412-Y416 PolarHBondContact ND2-O 3.12Å; N412-Y417 HydrophobicContact CB-CE1 4.29Å; N412-Y417 VanDerWaalsContact ND2-CE1 3.25Å; N412-Y417 WeakPolarHBondContact ND2-CE1 3.18Å; N412-Y417 WeakPolarHBondContact ND2-CE2 3.41Å
413	N	83.9	Confident	85.8	Confident	11 Å²	11	27 Å²	27	6%	0.059	15%	0.145	C	C	.	.	S	Bend	trans	-97.1	1.9	-176.5	67	8.1	0	0	0	115.8	I369 P402 F403 S404 F405	I369-N413 WeakPolarHBondContact CB-O 3.42Å; P402-N413 PolarHBondContact O-ND2 3.23Å; F403-N413 VanDerWaalsContact C-CG 3.48Å; F403-N413 PolarHBondContact O-N 3.44Å; F403-N413 PolarHBondContact O-OD1 3.46Å; F403-N413 VanDerWaalsContact O-OD1 3.1Å; S404-N413 PolarHBondContact O-ND2 2.93Å; F405-N413 HydrophobicContact CD1-CB 3.78Å; F405-N413 HydrophobicContact CD2-CB 4.18Å; F405-N413 HydrophobicContact CE1-CB 3.73Å; F405-N413 HydrophobicContact CE2-CB 4.13Å; F405-N413 HydrophobicContact CG-CB 4Å; F405-N413 HydrophobicContact CZ-CB 3.91Å
414	S	82.4	Confident	86.5	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.14	C	C	.	.	S	Bend	trans	-119.2	-27.3	-176.9	70.2	0	0	0	0	113.8	M366 R370 N412 Y416	M366-S414 PolarHBondContact SD-N 2.88Å; R370-S414 WeakPolarHBondContact CD-O 3.5Å; R370-S414 WeakPolarHBondContact CG-O 3.48Å; R370-S414 PolarHBondContact NH1-O 2.8Å; R370-S414 VanDerWaalsContact NH1-O 3.1Å; N412-S414 PolarHBondContact OD1-N 2.77Å; N412-S414 PolarHBondContact OD1-OG 2.93Å; S414-Y416 PolarHBondContact O-N 2.9Å; S414-Y416 PolarHBondContact OG-N 2.81Å; S414-Y416 VanDerWaalsContact OG-N 3.09Å; S414-Y416 PolarHBondContact OG-O 3.14Å
415	G	83.9	Confident	87.3	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.133	C	C	.	.	S	Bend	trans	71	5.8	-169.4	0	0	0	0	0	114.1	V354 N412	V354-G415 WeakPolarHBondContact CG2-O 3.48Å; V354-G415 PolarHBondContact N-O 2.79Å; N412-G415 PolarHBondContact OD1-N 2.94Å; N412-G415 VanDerWaalsContact OD1-N 3.15Å
416	Y	90.9	Very high	88	Confident	47 Å²	47	26 Å²	26	18%	0.184	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	139.6	168.8	-66.1	-60.4	0	0	0	110.2	D353 R370 F373 N412 S414	D353-Y416 HydrophobicContact CB-CD1 4.06Å; D353-Y416 HydrophobicContact CB-CE1 3.96Å; R370-Y416 HydrophobicContact CB-CE2 4.39Å; R370-Y416 HydrophobicContact CG-CE2 3.98Å; R370-Y416 PolarHBondContact NH2-OH 2.69Å; F373-Y416 HydrophobicContact CB-CD2 4.41Å; F373-Y416 HydrophobicContact CB-CE2 4.16Å; F373-Y416 HydrophobicContact CD1-CD2 4.43Å; F373-Y416 HydrophobicContact CD2-CD2 4.2Å; F373-Y416 HydrophobicContact CG-CD2 4.12Å; F373-Y416 HydrophobicContact CG-CE2 4.35Å; N412-Y416 PolarHBondContact ND2-O 3.12Å; S414-Y416 PolarHBondContact O-N 2.9Å; S414-Y416 PolarHBondContact OG-N 2.81Å; S414-Y416 VanDerWaalsContact OG-N 3.09Å; S414-Y416 PolarHBondContact OG-O 3.14Å
417	Y	93.2	Very high	88.7	Confident	1 Å²	1	20.9 Å²	20.9	0%	0.004	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	147.8	174.9	-63.8	-97.3	0	0	0	111.7	L319 P320 A321 L323 M351 L352 V354 N412 G480	L319-Y417 WeakPolarHBondContact CB-OH 3.2Å; L319-Y417 HydrophobicContact CD1-CE2 4.3Å; P320-Y417 WeakPolarHBondContact O-CE1 3.27Å; P320-Y417 PolarHBondContact O-OH 3.35Å; A321-Y417 WeakPolarHBondContact O-CE1 3.41Å; L323-Y417 HydrophobicContact CB-CD1 4.08Å; L323-Y417 HydrophobicContact CB-CE1 3.72Å; L323-Y417 HydrophobicContact CD2-CE2 4.25Å; M351-Y417 CarbonylContact C-O 3.53Å; M351-Y417 WeakPolarHBondContact CA-O 3.45Å; L352-Y417 PolarHBondContact N-O 2.75Å; L352-Y417 PolarHBondContact O-N 3.25Å; V354-Y417 HydrophobicContact CG2-CD2 4.25Å; V354-Y417 HydrophobicContact CG2-CE2 3.72Å; N412-Y417 HydrophobicContact CB-CE1 4.29Å; N412-Y417 VanDerWaalsContact ND2-CE1 3.25Å; N412-Y417 WeakPolarHBondContact ND2-CE1 3.18Å; N412-Y417 WeakPolarHBondContact ND2-CE2 3.41Å; Y417-G480 CarbonylContact C-O 3.54Å; Y417-G480 VanDerWaalsContact CA-O 3.26Å; Y417-G480 WeakPolarHBondContact CA-O 3.36Å; Y417-G480 WeakPolarHBondContact CB-O 3.16Å; Y417-G480 WeakPolarHBondContact CD1-O 3.35Å
418	D	93.1	Very high	88.9	Confident	38 Å²	38	23 Å²	23	20%	0.203	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	136.5	170.9	-73.6	-18.5	0	0	0	110	M351 Q420 Y479 G480	M351-D418 WeakPolarHBondContact CG-OD1 3.34Å; D418-Q420 PolarHBondContact O-N 2.83Å; D418-Y479 CarbonylContact O-C 3.5Å; D418-Y479 WeakPolarHBondContact O-CA 3.3Å; D418-G480 PolarHBondContact N-O 3.36Å; D418-G480 PolarHBondContact O-N 3.41Å
419	L	95.2	Very high	88.9	Confident	2 Å²	2	22.9 Å²	22.9	1%	0.01	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	122.5	173.9	-170.7	70.3	0	0	0	109.1	F348 L350 V422 K440 W446 I462 L477 Y479	F348-L419 HydrophobicContact CD2-CD2 3.87Å; F348-L419 HydrophobicContact CE2-CD2 3.57Å; L350-L419 HydrophobicContact CD2-CD2 3.91Å; L350-L419 PolarHBondContact O-N 2.87Å; L419-V422 HydrophobicContact CD1-CG2 4.12Å; L419-V422 HydrophobicContact CD2-CG2 3.62Å; L419-V422 HydrophobicContact CG-CG2 4.03Å; L419-K440 WeakPolarHBondContact O-CD 3.49Å; L419-W446 HydrophobicContact CB-CH2 4.2Å; L419-W446 HydrophobicContact CD2-CH2 3.91Å; L419-W446 HydrophobicContact CD2-CZ2 4.41Å; L419-W446 HydrophobicContact CG-CH2 3.82Å; L419-W446 VanDerWaalsContact O-CH2 3.32Å; L419-W446 WeakPolarHBondContact O-CH2 3.31Å; L419-W446 WeakPolarHBondContact O-CZ2 3.3Å; L419-I462 HydrophobicContact CD2-CG2 4Å; L419-L477 HydrophobicContact CD1-CB 4.03Å; L419-L477 HydrophobicContact CD1-CD2 4.05Å; L419-Y479 HydrophobicContact CB-CD1 4.1Å; L419-Y479 HydrophobicContact CB-CE1 3.85Å; L419-Y479 HydrophobicContact CD1-CD1 4.07Å; L419-Y479 HydrophobicContact CD1-CD2 4.32Å; L419-Y479 HydrophobicContact CD1-CE1 3.74Å; L419-Y479 HydrophobicContact CD1-CE2 4.02Å; L419-Y479 HydrophobicContact CD1-CG 4.35Å; L419-Y479 HydrophobicContact CG-CE1 4.38Å
420	Q	94	Very high	88.6	Confident	36 Å²	36	22.2 Å²	22.2	17%	0.168	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	-39.7	-174.7	-171.1	-177.8	21.7	0	0	112.2	S125 D418 V439 K440 L478	S125-Q420 PolarHBondContact O-NE2 2.93Å; D418-Q420 PolarHBondContact O-N 2.83Å; Q420-V439 WeakPolarHBondContact O-CA 3.39Å; Q420-K440 WeakPolarHBondContact O-CB 3.39Å; Q420-K440 PolarHBondContact O-N 3.23Å; Q420-L478 PolarHBondContact N-O 2.85Å
421	A	95.9	Very high	88.2	Confident	1 Å²	1	26.5 Å²	26.5	1%	0.008	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	149.6	174.8	0	0	0	0	0	111.9	C122 W438 V439 L478	C122-A421 HydrophobicContact CB-CB 4.16Å; A421-W438 CarbonylContact C-O 3.59Å; A421-W438 WeakPolarHBondContact CA-O 3.39Å; A421-V439 HydrophobicContact CB-CG2 4.13Å; A421-L478 HydrophobicContact CB-CB 4.05Å; A421-L478 HydrophobicContact CB-CD2 4.14Å; A421-L478 PolarHBondContact N-O 2.93Å; A421-L478 VanDerWaalsContact N-O 3.13Å; A421-L478 PolarHBondContact O-N 3.05Å
422	V	97.1	Very high	87.9	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	128.6	175	-177.8	0	0	0	0	107.7	L419 T424 W438 W446 I462 L465 A474 L477	L419-V422 HydrophobicContact CD1-CG2 4.12Å; L419-V422 HydrophobicContact CD2-CG2 3.62Å; L419-V422 HydrophobicContact CG-CG2 4.03Å; V422-T424 HydrophobicContact CG1-CG2 3.78Å; V422-W438 HydrophobicContact CB-CB 4.19Å; V422-W438 PolarHBondContact N-O 3.04Å; V422-W438 VanDerWaalsContact O-CD1 3.3Å; V422-W438 PolarHBondContact O-N 3.46Å; V422-W446 HydrophobicContact CG2-CZ3 4.39Å; V422-I462 HydrophobicContact CG2-CG2 4.04Å; V422-L465 HydrophobicContact CB-CD1 4.43Å; V422-L465 HydrophobicContact CG1-CD1 4.02Å; V422-A474 HydrophobicContact CG1-CB 4.02Å; V422-L477 HydrophobicContact CB-CD2 4.33Å; V422-L477 HydrophobicContact CG1-CD2 3.85Å; V422-L477 HydrophobicContact CG2-CD2 3.86Å
423	L	97.1	Very high	87.8	Confident	2 Å²	2	30.8 Å²	30.8	1%	0.01	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	123.8	167.9	-165.8	156.4	0	0	0	107.6	A118 T119 A200 Y435 Y475 V476	A118-L423 HydrophobicContact CB-CD1 4.19Å; A118-L423 HydrophobicContact CB-CG 4.09Å; T119-L423 WeakPolarHBondContact OG1-CD1 3.31Å; A200-L423 HydrophobicContact CB-CD1 3.95Å; A200-L423 HydrophobicContact CB-CD2 3.74Å; A200-L423 HydrophobicContact CB-CG 4.49Å; L423-Y435 HydrophobicContact CD2-CD1 3.69Å; L423-Y435 HydrophobicContact CD2-CE1 4.28Å; L423-Y475 HydrophobicContact CD2-CD1 3.99Å; L423-Y475 WeakPolarHBondContact O-CA 3.45Å; L423-Y475 PolarHBondContact O-N 3.45Å; L423-V476 HydrophobicContact CB-CB 3.95Å; L423-V476 PolarHBondContact N-O 2.86Å; L423-V476 PolarHBondContact O-N 2.91Å; L423-V476 VanDerWaalsContact O-N 3.09Å
424	T	96.3	Very high	88.3	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	153.2	-179.1	60.1	0	0	0	0	112.1	V422 Y435 V436 W438 L465 H472 I473	V422-T424 HydrophobicContact CG1-CG2 3.78Å; T424-Y435 VanDerWaalsContact O-CA 3.27Å; T424-Y435 WeakPolarHBondContact O-CA 2.92Å; T424-Y435 WeakPolarHBondContact O-CD1 3.34Å; T424-V436 PolarHBondContact N-O 2.99Å; T424-V436 PolarHBondContact O-N 2.7Å; T424-V436 VanDerWaalsContact O-N 3.13Å; T424-V436 PolarHBondContact OG1-O 3.08Å; T424-W438 PolarHBondContact OG1-NE1 3.39Å; T424-L465 HydrophobicContact CG2-CB 4.16Å; T424-L465 HydrophobicContact CG2-CD1 3.8Å; T424-L465 HydrophobicContact CG2-CD2 4.11Å; T424-L465 HydrophobicContact CG2-CG 4.23Å; T424-H472 HydrophobicContact CG2-CB 4.24Å; T424-I473 CarbonylContact C-O 3.6Å; T424-I473 WeakPolarHBondContact CA-O 3.4Å; T424-I473 WeakPolarHBondContact CB-O 3.48Å
425	H	94.3	Very high	89	Confident	1 Å²	1	32.6 Å²	32.6	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	121	169.1	-176.9	-122.7	0	0	0	109.6	F330 K341 S429 G433 Y435 I473	F330-H425 AromaticContact CZ-CE1 3.96Å; F330-H425 AromaticContact CZ-ND1 3.51Å; K341-H425 PolarHBondContact NZ-ND1 3.03Å; K341-H425 PolarHBondContact NZ-O 2.88Å; H425-S429 PolarHBondContact CE1-O 2.92Å; H425-G433 WeakPolarHBondContact NE2-CA 3.3Å; H425-Y435 HydrophobicContact CB-CD1 3.84Å; H425-Y435 HydrophobicContact CB-CE1 3.62Å; H425-Y435 AromaticContact CD2-CD1 3.75Å; H425-Y435 AromaticContact CD2-CE1 3.45Å; H425-Y435 VanDerWaalsContact CD2-CE1 3.45Å; H425-Y435 WeakPolarHBondContact CD2-CE1 3.48Å; H425-Y435 AromaticContact CD2-CE2 3.73Å; H425-Y435 AromaticContact CD2-CZ 3.43Å; H425-Y435 VanDerWaalsContact CD2-CZ 3.43Å; H425-Y435 AromaticContact CG-CE1 3.69Å; H425-Y435 AromaticContact CG-CZ 3.99Å; H425-I473 PolarHBondContact N-O 3.32Å; H425-I473 PolarHBondContact O-N 2.92Å
426	Q	91.8	Very high	89.6	Confident	60 Å²	60	32.6 Å²	32.6	28%	0.28	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	139.8	170.5	-172.5	-179.8	19.8	0	0	109.9	G433 H434 D470 H472	Q426-G433 CarbonylContact O-C 3.58Å; Q426-G433 WeakPolarHBondContact O-CA 3.21Å; Q426-H434 HydrophobicContact CB-CB 4.48Å; Q426-H434 PolarHBondContact N-O 2.71Å; Q426-H434 PolarHBondContact O-N 3.47Å; Q426-D470 PolarHBondContact NE2-O 3.5Å; Q426-H472 PolarHBondContact OE1-CE1 3.45Å; Q426-H472 VanDerWaalsContact OE1-CE1 3.25Å
427	G	87.1	Confident	89.8	Confident	24 Å²	24	30.3 Å²	30.3	25%	0.247	18%	0.175	C	C	.	.	S	Bend	trans	121.1	154.6	-178.4	0	0	0	0	0	112.4	K341	K341-G427 VanDerWaalsContact CD-O 3.31Å; K341-G427 WeakPolarHBondContact CD-O 3.5Å; K341-G427 PolarHBondContact NZ-O 2.89Å
428	R	81.9	Confident	90	Very high	168 Å²	168	30.6 Å²	30.6	63%	0.634	18%	0.176	S	C	*	.	S	Bend	trans	-91.7	-25.9	-177.4	-63.4	-172.7	177.6	-176.3	1.6	113.3	L343 D470	L343-R428 HydrophobicContact CD1-CG 4.2Å; R428-D470 IonicContact CZ-OD1 3.32Å; R428-D470 IonicContact CZ-OD2 3.55Å; R428-D470 IonicContact NE-OD1 2.7Å; R428-D470 PolarHBondContact NE-OD1 3.3Å; R428-D470 IonicContact NE-OD2 3.63Å; R428-D470 VanDerWaalsContact NH2-CG 3.31Å; R428-D470 IonicContact NH2-OD1 3.11Å; R428-D470 PolarHBondContact NH2-OD1 3.04Å; R428-D470 VanDerWaalsContact NH2-OD1 3.11Å; R428-D470 IonicContact NH2-OD2 2.71Å; R428-D470 PolarHBondContact NH2-OD2 3.34Å
429	S	77.3	Confident	90.1	Very high	37 Å²	37	29.6 Å²	29.6	26%	0.259	17%	0.171	S	C	.	.			trans	-83.1	165.3	178	-164.6	0	0	0	0	111.2	H425 S431 S432	H425-S429 PolarHBondContact CE1-O 2.92Å; S429-S431 PolarHBondContact OG-N 2.98Å; S429-S431 PolarHBondContact OG-OG 3.43Å; S429-S432 VanDerWaalsContact CB-OG 3.3Å; S429-S432 WeakPolarHBondContact CB-OG 3.22Å
430	S	73	Confident	90	Very high	37 Å²	37	32.5 Å²	32.5	26%	0.259	18%	0.184	S	C	.	.	S	Bend	trans	-91.5	-28.1	164.9	54.2	0	0	0	0	112.2	N339	N339-S430 WeakPolarHBondContact CB-OG 3.31Å
431	S	70.1	Confident	89.5	Confident	90 Å²	90	35.3 Å²	35.3	63%	0.629	19%	0.193	S	C	*	.	S	Bend	trans	-88.2	-4.3	-178.5	57	0	0	0	0	113.8	S429	S429-S431 PolarHBondContact OG-N 2.98Å; S429-S431 PolarHBondContact OG-OG 3.43Å
432	S	79.2	Confident	88.7	Confident	64 Å²	64	40.9 Å²	40.9	45%	0.448	22%	0.217	S	C	.	.	S	Bend	trans	-150.6	152.4	177.6	66.2	0	0	0	0	110.8	S429	S429-S432 VanDerWaalsContact CB-OG 3.3Å; S429-S432 WeakPolarHBondContact CB-OG 3.22Å
433	G	87.2	Confident	87.7	Confident	28 Å²	28	47.6 Å²	47.6	29%	0.289	25%	0.248	S	C	.	.			trans	157.2	-158.6	173.8	0	0	0	0	0	111.4	Q197 H425 Q426	Q197-G433 PolarHBondContact NE2-O 3.29Å; Q197-G433 PolarHBondContact OE1-O 3.08Å; H425-G433 WeakPolarHBondContact NE2-CA 3.3Å; Q426-G433 CarbonylContact O-C 3.58Å; Q426-G433 WeakPolarHBondContact O-CA 3.21Å
434	H	94.1	Very high	86.8	Confident	43 Å²	43	53.8 Å²	53.8	20%	0.199	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	127.8	-179.8	-170.4	47	0	0	0	110.9	C114 Q426 D450 D451	C114-H434 PolarHBondContact SG-ND1 3.34Å; C114-H434 VanDerWaalsContact SG-ND1 3.37Å; Q426-H434 HydrophobicContact CB-CB 4.48Å; Q426-H434 PolarHBondContact N-O 2.71Å; Q426-H434 PolarHBondContact O-N 3.47Å; H434-D450 IonicContact CD2-OD1 3.64Å; H434-D450 IonicContact CE1-OD1 3.66Å; H434-D450 IonicContact NE2-OD1 2.69Å; H434-D450 PolarHBondContact NE2-OD1 3.24Å; H434-D451 IonicContact CE1-OD2 3.36Å; H434-D451 PolarHBondContact CE1-OD2 3.17Å
435	Y	95.7	Very high	86.4	Confident	5 Å²	5	55.7 Å²	55.7	2%	0.02	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	135.2	177.9	-66.8	-83	0	0	0	110.4	C114 Y115 Q197 Q198 A200 L423 T424 H425 Y475	C114-Y435 PolarHBondContact SG-N 3.11Å; Y115-Y435 VanDerWaalsContact CB-CD2 3.48Å; Q197-Y435 HydrophobicContact CG-CE2 4.26Å; Q198-Y435 WeakPolarHBondContact O-CE2 3.07Å; A200-Y435 HydrophobicContact CB-CD1 3.62Å; A200-Y435 HydrophobicContact CB-CD2 4.43Å; A200-Y435 HydrophobicContact CB-CE1 3.57Å; A200-Y435 HydrophobicContact CB-CE2 4.4Å; A200-Y435 HydrophobicContact CB-CG 4.05Å; L423-Y435 HydrophobicContact CD2-CD1 3.69Å; L423-Y435 HydrophobicContact CD2-CE1 4.28Å; T424-Y435 VanDerWaalsContact O-CA 3.27Å; T424-Y435 WeakPolarHBondContact O-CA 2.92Å; T424-Y435 WeakPolarHBondContact O-CD1 3.34Å; H425-Y435 HydrophobicContact CB-CD1 3.84Å; H425-Y435 HydrophobicContact CB-CE1 3.62Å; H425-Y435 AromaticContact CD2-CD1 3.75Å; H425-Y435 AromaticContact CD2-CE1 3.45Å; H425-Y435 VanDerWaalsContact CD2-CE1 3.45Å; H425-Y435 WeakPolarHBondContact CD2-CE1 3.48Å; H425-Y435 AromaticContact CD2-CE2 3.73Å; H425-Y435 AromaticContact CD2-CZ 3.43Å; H425-Y435 VanDerWaalsContact CD2-CZ 3.43Å; H425-Y435 AromaticContact CG-CE1 3.69Å; H425-Y435 AromaticContact CG-CZ 3.99Å; Y435-Y475 HydrophobicContact CE1-CD1 4.03Å; Y435-Y475 HydrophobicContact CE1-CE1 4.35Å
436	V	96.6	Very high	86.4	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	134.4	179.1	175.2	0	0	0	0	108.5	T424 W438 K448 F449 D450 H472	T424-V436 PolarHBondContact N-O 2.99Å; T424-V436 PolarHBondContact O-N 2.7Å; T424-V436 VanDerWaalsContact O-N 3.13Å; T424-V436 PolarHBondContact OG1-O 3.08Å; V436-W438 HydrophobicContact CG1-CD2 4.4Å; V436-W438 HydrophobicContact CG1-CZ2 3.99Å; V436-K448 HydrophobicContact CG1-CD 4.33Å; V436-K448 HydrophobicContact CG1-CG 3.64Å; V436-F449 WeakPolarHBondContact CG1-O 3.33Å; V436-D450 HydrophobicContact CG1-CB 4.39Å; V436-D450 HydrophobicContact CG2-CB 4.41Å; V436-H472 VanDerWaalsContact CG2-CE1 3.45Å; V436-H472 WeakPolarHBondContact CG2-CE1 3.31Å
437	G	96.4	Very high	86.5	Confident	0 Å²	0	53 Å²	53	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	138.4	173.8	0	0	0	0	0	111	F449	G437-F449 PolarHBondContact N-O 3.26Å; G437-F449 WeakPolarHBondContact O-CA 3.41Å; G437-F449 WeakPolarHBondContact O-CB 3.41Å; G437-F449 PolarHBondContact O-N 3.28Å
438	W	96.7	Very high	86.9	Confident	7 Å²	7	53.3 Å²	53.3	3%	0.027	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	123.8	178.4	-48.5	72.1	0	0	0	107.4	A421 V422 T424 V436 V447 K448 V457 I462 L465 H472	A421-W438 CarbonylContact C-O 3.59Å; A421-W438 WeakPolarHBondContact CA-O 3.39Å; V422-W438 HydrophobicContact CB-CB 4.19Å; V422-W438 PolarHBondContact N-O 3.04Å; V422-W438 VanDerWaalsContact O-CD1 3.3Å; V422-W438 PolarHBondContact O-N 3.46Å; T424-W438 PolarHBondContact OG1-NE1 3.39Å; V436-W438 HydrophobicContact CG1-CD2 4.4Å; V436-W438 HydrophobicContact CG1-CZ2 3.99Å; W438-V447 CarbonylContact C-O 2.86Å; W438-V447 WeakPolarHBondContact CA-O 3.3Å; W438-K448 HydrophobicContact CD2-CB 4.33Å; W438-K448 HydrophobicContact CD2-CG 4.05Å; W438-K448 HydrophobicContact CE3-CB 3.67Å; W438-K448 HydrophobicContact CE3-CD 4.44Å; W438-K448 HydrophobicContact CE3-CG 3.72Å; W438-K448 HydrophobicContact CH2-CB 4.34Å; W438-K448 HydrophobicContact CH2-CD 3.56Å; W438-K448 HydrophobicContact CH2-CG 3.68Å; W438-K448 HydrophobicContact CZ2-CD 4.09Å; W438-K448 HydrophobicContact CZ2-CG 3.98Å; W438-K448 HydrophobicContact CZ3-CB 3.69Å; W438-K448 HydrophobicContact CZ3-CD 3.76Å; W438-K448 HydrophobicContact CZ3-CG 3.55Å; W438-V457 HydrophobicContact CE3-CG2 3.87Å; W438-V457 HydrophobicContact CZ3-CB 4.49Å; W438-V457 HydrophobicContact CZ3-CG1 4.11Å; W438-V457 HydrophobicContact CZ3-CG2 3.95Å; W438-I462 HydrophobicContact CB-CD1 3.95Å; W438-I462 HydrophobicContact CD2-CD1 4.19Å; W438-I462 HydrophobicContact CE3-CD1 3.7Å; W438-I462 HydrophobicContact CG-CD1 4.33Å; W438-L465 HydrophobicContact CD2-CD1 3.84Å; W438-L465 HydrophobicContact CE3-CD1 4.35Å; W438-L465 HydrophobicContact CG-CD1 3.95Å; W438-L465 HydrophobicContact CH2-CD2 4.13Å; W438-L465 HydrophobicContact CZ2-CD1 4.44Å; W438-L465 HydrophobicContact CZ2-CD2 3.75Å; W438-H472 HydrophobicContact CZ2-CB 4.18Å; W438-H472 AromaticContact CZ2-CD2 3.92Å; W438-H472 AromaticContact CZ2-CG 3.96Å
439	V	95.4	Very high	87.5	Confident	17 Å²	17	46 Å²	46	10%	0.103	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	135.4	-175.2	-176.2	0	0	0	0	110.2	Q420 A421 W446 V447 F449	Q420-V439 WeakPolarHBondContact O-CA 3.39Å; A421-V439 HydrophobicContact CB-CG2 4.13Å; V439-W446 VanDerWaalsContact C-CE3 3.49Å; V439-V447 PolarHBondContact N-O 3.41Å; V439-V447 PolarHBondContact O-N 3.4Å; V439-F449 HydrophobicContact CB-CD2 4.46Å; V439-F449 HydrophobicContact CB-CE2 3.89Å; V439-F449 HydrophobicContact CG2-CD2 4.03Å; V439-F449 HydrophobicContact CG2-CE2 3.8Å
440	K	93	Very high	88.3	Confident	62 Å²	62	45.8 Å²	45.8	27%	0.27	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	124.4	174.5	-167.7	175.9	-178.7	-177.3	0	109.7	L419 Q420 K442 E443 W446	L419-K440 WeakPolarHBondContact O-CD 3.49Å; Q420-K440 WeakPolarHBondContact O-CB 3.39Å; Q420-K440 PolarHBondContact O-N 3.23Å; K440-K442 VanDerWaalsContact CE-O 3.31Å; K440-K442 WeakPolarHBondContact CE-O 3.47Å; K440-K442 VanDerWaalsContact CG-O 3.28Å; K440-K442 WeakPolarHBondContact CG-O 3.25Å; K440-E443 WeakPolarHBondContact CE-O 3.14Å; K440-W446 HydrophobicContact CB-CD2 3.94Å; K440-W446 HydrophobicContact CB-CE3 4Å; K440-W446 HydrophobicContact CB-CH2 3.78Å; K440-W446 HydrophobicContact CB-CZ2 3.75Å; K440-W446 HydrophobicContact CB-CZ3 3.93Å; K440-W446 HydrophobicContact CD-CZ2 3.87Å; K440-W446 HydrophobicContact CG-CD2 4.28Å; K440-W446 HydrophobicContact CG-CH2 4.48Å; K440-W446 HydrophobicContact CG-CZ2 3.94Å
441	R	83.7	Confident	89.3	Confident	96 Å²	96	44.6 Å²	44.6	36%	0.362	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	-46.2	176.4	-172.1	-174	-177.9	176.2	6.4	111.4	E102 E445 V447	E102-R441 VanDerWaalsContact O-CZ 3.25Å; E102-R441 PolarHBondContact O-NH1 3.14Å; E102-R441 PolarHBondContact O-NH2 2.89Å; R441-E445 WeakPolarHBondContact CD-OE1 3.5Å; R441-E445 PolarHBondContact N-O 2.91Å; R441-E445 IonicContact NH1-OE1 2.76Å; R441-V447 HydrophobicContact CB-CG2 4.07Å
442	K	80.1	Confident	90.2	Very high	117 Å²	117	43.9 Å²	43.9	51%	0.509	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	175.7	176.9	-55.9	178.9	-169.1	141.2	0	109.3	K440 D444 E445	K440-K442 VanDerWaalsContact CE-O 3.31Å; K440-K442 WeakPolarHBondContact CE-O 3.47Å; K440-K442 VanDerWaalsContact CG-O 3.28Å; K440-K442 WeakPolarHBondContact CG-O 3.25Å; K442-D444 VanDerWaalsContact C-N 3.29Å; K442-D444 PolarHBondContact O-N 3.33Å; K442-E445 HydrophobicContact CB-CB 3.94Å; K442-E445 HydrophobicContact CG-CB 4.4Å; K442-E445 PolarHBondContact N-O 3.38Å; K442-E445 VanDerWaalsContact N-O 3.15Å; K442-E445 IonicContact NZ-OE2 2.68Å; K442-E445 PolarHBondContact NZ-OE2 3.16Å; K442-E445 PolarHBondContact O-N 2.82Å
443	E	74.1	Confident	90.7	Very high	141 Å²	141	46.7 Å²	46.7	66%	0.659	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-45.1	-179.2	-72.8	-169.1	147.8	0	0	112.6	K440	K440-E443 WeakPolarHBondContact CE-O 3.14Å
444	D	79.8	Confident	90.9	Very high	133 Å²	133	46.8 Å²	46.8	71%	0.711	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.5	8.1	-177.5	-65.1	-35.8	0	0	0	114.3	K442 P459	K442-D444 VanDerWaalsContact C-N 3.29Å; K442-D444 PolarHBondContact O-N 3.33Å; D444-P459 WeakPolarHBondContact O-CD 3.45Å
445	E	87.7	Confident	90.8	Very high	39 Å²	39	47 Å²	47	18%	0.182	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	118	-173.8	-163.6	-170.1	126.4	0	0	111	R441 K442 V456	R441-E445 WeakPolarHBondContact CD-OE1 3.5Å; R441-E445 PolarHBondContact N-O 2.91Å; R441-E445 IonicContact NH1-OE1 2.76Å; K442-E445 HydrophobicContact CB-CB 3.94Å; K442-E445 HydrophobicContact CG-CB 4.4Å; K442-E445 PolarHBondContact N-O 3.38Å; K442-E445 VanDerWaalsContact N-O 3.15Å; K442-E445 IonicContact NZ-OE2 2.68Å; K442-E445 PolarHBondContact NZ-OE2 3.16Å; K442-E445 PolarHBondContact O-N 2.82Å; E445-V456 HydrophobicContact CG-CG1 3.46Å; E445-V456 VanDerWaalsContact CG-CG1 3.46Å
446	W	93.9	Very high	90.6	Very high	4 Å²	4	50 Å²	50	2%	0.015	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	152	174.5	-74.3	76.5	0	0	0	110.8	L350 L419 V422 V439 K440 V456 V457 I462	L350-W446 HydrophobicContact CD2-CZ2 4.3Å; L419-W446 HydrophobicContact CB-CH2 4.2Å; L419-W446 HydrophobicContact CD2-CH2 3.91Å; L419-W446 HydrophobicContact CD2-CZ2 4.41Å; L419-W446 HydrophobicContact CG-CH2 3.82Å; L419-W446 VanDerWaalsContact O-CH2 3.32Å; L419-W446 WeakPolarHBondContact O-CH2 3.31Å; L419-W446 WeakPolarHBondContact O-CZ2 3.3Å; V422-W446 HydrophobicContact CG2-CZ3 4.39Å; V439-W446 VanDerWaalsContact C-CE3 3.49Å; K440-W446 HydrophobicContact CB-CD2 3.94Å; K440-W446 HydrophobicContact CB-CE3 4Å; K440-W446 HydrophobicContact CB-CH2 3.78Å; K440-W446 HydrophobicContact CB-CZ2 3.75Å; K440-W446 HydrophobicContact CB-CZ3 3.93Å; K440-W446 HydrophobicContact CD-CZ2 3.87Å; K440-W446 HydrophobicContact CG-CD2 4.28Å; K440-W446 HydrophobicContact CG-CH2 4.48Å; K440-W446 HydrophobicContact CG-CZ2 3.94Å; W446-V456 CarbonylContact O-C 3.56Å; W446-V456 WeakPolarHBondContact O-CA 3.42Å; W446-V457 HydrophobicContact CB-CG2 3.66Å; W446-V457 WeakPolarHBondContact CB-O 3.37Å; W446-V457 PolarHBondContact N-O 3.11Å; W446-V457 PolarHBondContact O-N 3.04Å; W446-I462 HydrophobicContact CB-CD1 4.01Å; W446-I462 HydrophobicContact CB-CG1 4.04Å; W446-I462 HydrophobicContact CD2-CD1 3.85Å; W446-I462 HydrophobicContact CD2-CG1 3.49Å; W446-I462 VanDerWaalsContact CD2-CG1 3.49Å; W446-I462 HydrophobicContact CE3-CD1 3.68Å; W446-I462 HydrophobicContact CE3-CG1 3.79Å; W446-I462 HydrophobicContact CG-CD1 4Å; W446-I462 HydrophobicContact CG-CG1 3.59Å; W446-I462 HydrophobicContact CH2-CG2 4.32Å; W446-I462 HydrophobicContact CZ2-CG2 4.42Å; W446-I462 HydrophobicContact CZ3-CD1 4.41Å; W446-I462 HydrophobicContact CZ3-CG1 4.44Å; W446-I462 HydrophobicContact CZ3-CG2 4.35Å
447	V	93.4	Very high	90.4	Very high	2 Å²	2	51.2 Å²	51.2	1%	0.012	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	124.7	178.2	-176.2	0	0	0	0	109.4	P104 W438 V439 R441 F449 V454 S455	P104-V447 HydrophobicContact CG-CB 4.48Å; P104-V447 HydrophobicContact CG-CG1 3.81Å; P104-V447 HydrophobicContact CG-CG2 4.34Å; W438-V447 CarbonylContact C-O 2.86Å; W438-V447 WeakPolarHBondContact CA-O 3.3Å; V439-V447 PolarHBondContact N-O 3.41Å; V439-V447 PolarHBondContact O-N 3.4Å; R441-V447 HydrophobicContact CB-CG2 4.07Å; V447-F449 HydrophobicContact CB-CE2 3.94Å; V447-F449 HydrophobicContact CB-CZ 4.28Å; V447-F449 HydrophobicContact CG1-CD2 4.21Å; V447-F449 HydrophobicContact CG1-CE1 4.21Å; V447-F449 HydrophobicContact CG1-CE2 3.73Å; V447-F449 HydrophobicContact CG1-CZ 3.75Å; V447-V454 HydrophobicContact CG1-CG1 3.35Å; V447-S455 CarbonylContact C-O 3.57Å; V447-S455 WeakPolarHBondContact CA-O 3.08Å
448	K	95.3	Very high	90.2	Very high	29 Å²	29	53.1 Å²	53.1	13%	0.126	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	118.4	170.9	-175.5	-165.1	-172	-155.9	0	109	V436 W438 D450 V454 S455 V457	V436-K448 HydrophobicContact CG1-CD 4.33Å; V436-K448 HydrophobicContact CG1-CG 3.64Å; W438-K448 HydrophobicContact CD2-CB 4.33Å; W438-K448 HydrophobicContact CD2-CG 4.05Å; W438-K448 HydrophobicContact CE3-CB 3.67Å; W438-K448 HydrophobicContact CE3-CD 4.44Å; W438-K448 HydrophobicContact CE3-CG 3.72Å; W438-K448 HydrophobicContact CH2-CB 4.34Å; W438-K448 HydrophobicContact CH2-CD 3.56Å; W438-K448 HydrophobicContact CH2-CG 3.68Å; W438-K448 HydrophobicContact CZ2-CD 4.09Å; W438-K448 HydrophobicContact CZ2-CG 3.98Å; W438-K448 HydrophobicContact CZ3-CB 3.69Å; W438-K448 HydrophobicContact CZ3-CD 3.76Å; W438-K448 HydrophobicContact CZ3-CG 3.55Å; K448-D450 HydrophobicContact CD-CB 4.42Å; K448-D450 IonicContact NZ-OD2 3.67Å; K448-D450 PolarHBondContact NZ-OD2 3.07Å; K448-V454 WeakPolarHBondContact O-CA 3.37Å; K448-S455 PolarHBondContact N-O 2.96Å; K448-S455 PolarHBondContact O-N 2.91Å; K448-V457 HydrophobicContact CB-CG1 4.12Å
449	F	94.8	Very high	90	Very high	14 Å²	14	54 Å²	54	6%	0.061	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	94.7	172.4	-64.6	-85.5	0	0	0	109.7	P104 Q121 V436 G437 V439 V447 V454	P104-F449 HydrophobicContact CB-CE1 3.93Å; P104-F449 HydrophobicContact CB-CZ 3.85Å; P104-F449 HydrophobicContact CG-CE1 3.63Å; P104-F449 HydrophobicContact CG-CE2 4.49Å; P104-F449 HydrophobicContact CG-CZ 3.38Å; Q121-F449 HydrophobicContact CB-CB 4.39Å; Q121-F449 HydrophobicContact CB-CD2 4.36Å; Q121-F449 HydrophobicContact CB-CG 4.25Å; Q121-F449 HydrophobicContact CG-CB 4.13Å; Q121-F449 HydrophobicContact CG-CD1 4.18Å; Q121-F449 HydrophobicContact CG-CG 4.08Å; V436-F449 WeakPolarHBondContact CG1-O 3.33Å; G437-F449 PolarHBondContact N-O 3.26Å; G437-F449 WeakPolarHBondContact O-CA 3.41Å; G437-F449 WeakPolarHBondContact O-CB 3.41Å; G437-F449 PolarHBondContact O-N 3.28Å; V439-F449 HydrophobicContact CB-CD2 4.46Å; V439-F449 HydrophobicContact CB-CE2 3.89Å; V439-F449 HydrophobicContact CG2-CD2 4.03Å; V439-F449 HydrophobicContact CG2-CE2 3.8Å; V447-F449 HydrophobicContact CB-CE2 3.94Å; V447-F449 HydrophobicContact CB-CZ 4.28Å; V447-F449 HydrophobicContact CG1-CD2 4.21Å; V447-F449 HydrophobicContact CG1-CE1 4.21Å; V447-F449 HydrophobicContact CG1-CE2 3.73Å; V447-F449 HydrophobicContact CG1-CZ 3.75Å; F449-V454 HydrophobicContact CD1-CG1 4.21Å; F449-V454 HydrophobicContact CD1-CG2 3.88Å; F449-V454 HydrophobicContact CE1-CG1 4.07Å; F449-V454 HydrophobicContact CE1-CG2 4.23Å
450	D	94.6	Very high	89.8	Confident	33 Å²	33	59.6 Å²	59.6	18%	0.176	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	76.5	177.8	-165	-15.7	0	0	0	108.6	H434 V436 K448 D452 K453	H434-D450 IonicContact CD2-OD1 3.64Å; H434-D450 IonicContact CE1-OD1 3.66Å; H434-D450 IonicContact NE2-OD1 2.69Å; H434-D450 PolarHBondContact NE2-OD1 3.24Å; V436-D450 HydrophobicContact CG1-CB 4.39Å; V436-D450 HydrophobicContact CG2-CB 4.41Å; K448-D450 HydrophobicContact CD-CB 4.42Å; K448-D450 IonicContact NZ-OD2 3.67Å; K448-D450 PolarHBondContact NZ-OD2 3.07Å; D450-D452 PolarHBondContact O-N 3.29Å; D450-D452 VanDerWaalsContact O-N 3.14Å; D450-K453 WeakPolarHBondContact CA-O 3.43Å; D450-K453 HydrophobicContact CB-CB 4.36Å; D450-K453 WeakPolarHBondContact CB-O 3.49Å; D450-K453 PolarHBondContact N-O 3.29Å; D450-K453 WeakPolarHBondContact O-CB 3.14Å; D450-K453 PolarHBondContact O-N 2.97Å
451	D	93.8	Very high	89.7	Confident	13 Å²	13	58.9 Å²	58.9	7%	0.07	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.7	-113.5	-168.9	-67.1	-40.5	0	0	0	112.3	G106 L107 N109 C114 N117 H434 K453	G106-D451 WeakPolarHBondContact CA-O 3.35Å; L107-D451 PolarHBondContact N-O 2.67Å; L107-D451 CarbonylContact O-C 3.48Å; L107-D451 WeakPolarHBondContact O-CA 3.23Å; L107-D451 WeakPolarHBondContact O-CB 3.46Å; N109-D451 HydrophobicContact CB-CB 4.15Å; N109-D451 WeakPolarHBondContact CB-OD2 3.5Å; N109-D451 PolarHBondContact ND2-OD2 3.49Å; C114-D451 WeakPolarHBondContact CA-OD1 3.41Å; C114-D451 WeakPolarHBondContact CB-OD1 3.19Å; N117-D451 PolarHBondContact ND2-OD1 2.9Å; H434-D451 IonicContact CE1-OD2 3.36Å; H434-D451 PolarHBondContact CE1-OD2 3.17Å; D451-K453 VanDerWaalsContact C-N 3.31Å
452	D	89.9	Confident	90.2	Very high	74 Å²	74	54.3 Å²	54.3	40%	0.396	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-18.7	179.2	54.4	-62.9	0	0	0	112.9	L107 D450	L107-D452 PolarHBondContact O-N 2.86Å; L107-D452 VanDerWaalsContact O-N 3.12Å; D450-D452 PolarHBondContact O-N 3.29Å; D450-D452 VanDerWaalsContact O-N 3.14Å
453	K	89.6	Confident	90.8	Very high	124 Å²	124	52.5 Å²	52.5	54%	0.539	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	113.8	-177.5	-57.6	175.2	-162.1	173.6	0	110.1	D450 D451	D450-K453 WeakPolarHBondContact CA-O 3.43Å; D450-K453 HydrophobicContact CB-CB 4.36Å; D450-K453 WeakPolarHBondContact CB-O 3.49Å; D450-K453 PolarHBondContact N-O 3.29Å; D450-K453 WeakPolarHBondContact O-CB 3.14Å; D450-K453 PolarHBondContact O-N 2.97Å; D451-K453 VanDerWaalsContact C-N 3.31Å
454	V	91.5	Very high	91.7	Very high	29 Å²	29	53 Å²	53	18%	0.176	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	125.8	178.8	-175.3	0	0	0	0	108.9	L103 P104 V447 K448 F449	L103-V454 HydrophobicContact CB-CG1 4.41Å; P104-V454 HydrophobicContact CG-CG1 4.09Å; V447-V454 HydrophobicContact CG1-CG1 3.35Å; K448-V454 WeakPolarHBondContact O-CA 3.37Å; F449-V454 HydrophobicContact CD1-CG1 4.21Å; F449-V454 HydrophobicContact CD1-CG2 3.88Å; F449-V454 HydrophobicContact CE1-CG1 4.07Å; F449-V454 HydrophobicContact CE1-CG2 4.23Å
455	S	90.6	Very high	92.4	Very high	48 Å²	48	46.7 Å²	46.7	34%	0.336	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	150.9	-178.7	51.1	0	0	0	0	111.5	V447 K448	V447-S455 CarbonylContact C-O 3.57Å; V447-S455 WeakPolarHBondContact CA-O 3.08Å; K448-S455 PolarHBondContact N-O 2.96Å; K448-S455 PolarHBondContact O-N 2.91Å
456	V	91.4	Very high	92.5	Very high	68 Å²	68	45.5 Å²	45.5	41%	0.412	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	137.6	176.9	177.9	0	0	0	0	109.4	L103 E445 W446	L103-V456 HydrophobicContact CD2-CG2 3.52Å; E445-V456 HydrophobicContact CG-CG1 3.46Å; E445-V456 VanDerWaalsContact CG-CG1 3.46Å; W446-V456 CarbonylContact O-C 3.56Å; W446-V456 WeakPolarHBondContact O-CA 3.42Å
457	V	92.9	Very high	92.3	Very high	26 Å²	26	46.2 Å²	46.2	16%	0.158	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	161.7	-179.5	-58.6	0	0	0	0	111.2	W438 W446 K448 D461 I462	W438-V457 HydrophobicContact CE3-CG2 3.87Å; W438-V457 HydrophobicContact CZ3-CB 4.49Å; W438-V457 HydrophobicContact CZ3-CG1 4.11Å; W438-V457 HydrophobicContact CZ3-CG2 3.95Å; W446-V457 HydrophobicContact CB-CG2 3.66Å; W446-V457 WeakPolarHBondContact CB-O 3.37Å; W446-V457 PolarHBondContact N-O 3.11Å; W446-V457 PolarHBondContact O-N 3.04Å; K448-V457 HydrophobicContact CB-CG1 4.12Å; V457-D461 HydrophobicContact CB-CB 4.28Å; V457-I462 HydrophobicContact CG2-CD1 3.98Å
458	S	92.5	Very high	91.8	Very high	39 Å²	39	48.9 Å²	48.9	27%	0.273	27%	0.269	S	S	.	.			trans	-86.1	158.9	-179.1	71.7	0	0	0	0	112.1	E460 D461 I462	S458-E460 PolarHBondContact O-N 3.21Å; S458-E460 PolarHBondContact OG-N 3.11Å; S458-D461 PolarHBondContact N-OD2 2.86Å; S458-D461 WeakPolarHBondContact O-CB 3.49Å; S458-D461 PolarHBondContact O-N 2.74Å; S458-D461 VanDerWaalsContact O-N 3.1Å; S458-D461 VanDerWaalsContact OG-CG 3.31Å; S458-D461 PolarHBondContact OG-N 2.64Å; S458-D461 PolarHBondContact OG-OD2 2.81Å; S458-I462 PolarHBondContact O-N 3.25Å
459	P	91.6	Very high	91.3	Very high	25 Å²	25	49.2 Å²	49.2	16%	0.162	28%	0.28	C	S	.	.	H	α-helix	trans	-58.3	-28.2	171	-22.5	32.4	0	0	0	113.4	L350 D444 D461 I462 L463	L350-P459 HydrophobicContact CD1-CB 4.02Å; D444-P459 WeakPolarHBondContact O-CD 3.45Å; P459-D461 VanDerWaalsContact C-N 3.33Å; P459-I462 WeakPolarHBondContact O-CB 3.47Å; P459-I462 PolarHBondContact O-N 3.34Å; P459-L463 PolarHBondContact O-N 2.87Å
460	E	91.5	Very high	90.9	Very high	135 Å²	135	52.5 Å²	52.5	63%	0.631	30%	0.299	S	S	*	.	H	α-helix	trans	-65.6	-37.7	176	-60	-174.4	179.2	0	0	111.8	S458 I462 L463 R464	S458-E460 PolarHBondContact O-N 3.21Å; S458-E460 PolarHBondContact OG-N 3.11Å; E460-I462 VanDerWaalsContact C-N 3.27Å; E460-I462 PolarHBondContact O-N 3.29Å; E460-L463 PolarHBondContact O-N 2.88Å; E460-R464 PolarHBondContact O-N 3.13Å
461	D	91.8	Very high	90.7	Very high	48 Å²	48	57.5 Å²	57.5	26%	0.257	32%	0.315	S	S	.	.	H	α-helix	trans	-66.9	-31.5	176	-63.9	-52	0	0	0	111.9	V457 S458 P459 R464	V457-D461 HydrophobicContact CB-CB 4.28Å; S458-D461 PolarHBondContact N-OD2 2.86Å; S458-D461 WeakPolarHBondContact O-CB 3.49Å; S458-D461 PolarHBondContact O-N 2.74Å; S458-D461 VanDerWaalsContact O-N 3.1Å; S458-D461 VanDerWaalsContact OG-CG 3.31Å; S458-D461 PolarHBondContact OG-N 2.64Å; S458-D461 PolarHBondContact OG-OD2 2.81Å; P459-D461 VanDerWaalsContact C-N 3.33Å; D461-R464 WeakPolarHBondContact O-CB 3.49Å; D461-R464 PolarHBondContact O-N 2.96Å; D461-R464 IonicContact OD1-CZ 2.8Å; D461-R464 IonicContact OD1-NH1 2.81Å; D461-R464 PolarHBondContact OD1-NH1 3.33Å
462	I	93.8	Very high	90.6	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-66.4	-40	174.2	-56.1	-58.8	0	0	0	111.1	F348 L350 L419 V422 W438 W446 V457 S458 P459 E460 R464 L465	F348-I462 HydrophobicContact CE2-CG2 4.24Å; F348-I462 WeakPolarHBondContact CZ-O 3.3Å; L350-I462 HydrophobicContact CD2-CG2 4.36Å; L419-I462 HydrophobicContact CD2-CG2 4Å; V422-I462 HydrophobicContact CG2-CG2 4.04Å; W438-I462 HydrophobicContact CB-CD1 3.95Å; W438-I462 HydrophobicContact CD2-CD1 4.19Å; W438-I462 HydrophobicContact CE3-CD1 3.7Å; W438-I462 HydrophobicContact CG-CD1 4.33Å; W446-I462 HydrophobicContact CB-CD1 4.01Å; W446-I462 HydrophobicContact CB-CG1 4.04Å; W446-I462 HydrophobicContact CD2-CD1 3.85Å; W446-I462 HydrophobicContact CD2-CG1 3.49Å; W446-I462 VanDerWaalsContact CD2-CG1 3.49Å; W446-I462 HydrophobicContact CE3-CD1 3.68Å; W446-I462 HydrophobicContact CE3-CG1 3.79Å; W446-I462 HydrophobicContact CG-CD1 4Å; W446-I462 HydrophobicContact CG-CG1 3.59Å; W446-I462 HydrophobicContact CH2-CG2 4.32Å; W446-I462 HydrophobicContact CZ2-CG2 4.42Å; W446-I462 HydrophobicContact CZ3-CD1 4.41Å; W446-I462 HydrophobicContact CZ3-CG1 4.44Å; W446-I462 HydrophobicContact CZ3-CG2 4.35Å; V457-I462 HydrophobicContact CG2-CD1 3.98Å; S458-I462 PolarHBondContact O-N 3.25Å; P459-I462 WeakPolarHBondContact O-CB 3.47Å; P459-I462 PolarHBondContact O-N 3.34Å; E460-I462 VanDerWaalsContact C-N 3.27Å; E460-I462 PolarHBondContact O-N 3.29Å; I462-R464 PolarHBondContact O-N 2.86Å; I462-L465 HydrophobicContact CD1-CD1 4.11Å; I462-L465 HydrophobicContact CG2-CD1 4.24Å; I462-L465 VanDerWaalsContact O-CB 3.24Å; I462-L465 WeakPolarHBondContact O-CB 3.46Å; I462-L465 WeakPolarHBondContact O-CG 3.32Å; I462-L465 PolarHBondContact O-N 3.46Å
463	L	92.8	Very high	90.8	Very high	78 Å²	78	53.7 Å²	53.7	41%	0.408	29%	0.294	S	S	.	.	H	α-helix	trans	-66.4	-23.6	176.8	-69.1	174.4	0	0	0	112.8	L350 P459 E460 L465 S466	L350-L463 HydrophobicContact CD2-CD2 4.2Å; L350-L463 HydrophobicContact CD2-CG 4.5Å; L350-L463 HydrophobicContact CG-CD2 4.07Å; L350-L463 HydrophobicContact CG-CG 4.43Å; P459-L463 PolarHBondContact O-N 2.87Å; E460-L463 PolarHBondContact O-N 2.88Å; L463-L465 PolarHBondContact O-N 2.96Å; L463-S466 PolarHBondContact O-N 2.79Å; L463-S466 PolarHBondContact O-OG 2.81Å
464	R	93.1	Very high	91.1	Very high	153 Å²	153	47.8 Å²	47.8	58%	0.577	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-71	-11.6	173.2	-65.1	173.9	179.4	165.9	-5.3	113.5	E460 D461 I462 S466	E460-R464 PolarHBondContact O-N 3.13Å; D461-R464 WeakPolarHBondContact O-CB 3.49Å; D461-R464 PolarHBondContact O-N 2.96Å; D461-R464 IonicContact OD1-CZ 2.8Å; D461-R464 IonicContact OD1-NH1 2.81Å; D461-R464 PolarHBondContact OD1-NH1 3.33Å; I462-R464 PolarHBondContact O-N 2.86Å; R464-S466 PolarHBondContact O-N 3.31Å
465	L	93.3	Very high	91.2	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-76.8	2.7	177.6	-49.7	173.1	0	0	0	112.7	F348 V422 T424 W438 I462 L463 G467 H472 A474	F348-L465 HydrophobicContact CE1-CB 4.46Å; F348-L465 HydrophobicContact CZ-CB 4.18Å; V422-L465 HydrophobicContact CB-CD1 4.43Å; V422-L465 HydrophobicContact CG1-CD1 4.02Å; T424-L465 HydrophobicContact CG2-CB 4.16Å; T424-L465 HydrophobicContact CG2-CD1 3.8Å; T424-L465 HydrophobicContact CG2-CD2 4.11Å; T424-L465 HydrophobicContact CG2-CG 4.23Å; W438-L465 HydrophobicContact CD2-CD1 3.84Å; W438-L465 HydrophobicContact CE3-CD1 4.35Å; W438-L465 HydrophobicContact CG-CD1 3.95Å; W438-L465 HydrophobicContact CH2-CD2 4.13Å; W438-L465 HydrophobicContact CZ2-CD1 4.44Å; W438-L465 HydrophobicContact CZ2-CD2 3.75Å; I462-L465 HydrophobicContact CD1-CD1 4.11Å; I462-L465 HydrophobicContact CG2-CD1 4.24Å; I462-L465 VanDerWaalsContact O-CB 3.24Å; I462-L465 WeakPolarHBondContact O-CB 3.46Å; I462-L465 WeakPolarHBondContact O-CG 3.32Å; I462-L465 PolarHBondContact O-N 3.46Å; L463-L465 PolarHBondContact O-N 2.96Å; L465-G467 PolarHBondContact O-N 2.82Å; L465-H472 HydrophobicContact CD2-CB 3.73Å; L465-A474 WeakPolarHBondContact O-CB 3.49Å; L465-A474 PolarHBondContact O-N 3Å
466	S	91.3	Very high	91.5	Very high	13 Å²	13	44.5 Å²	44.5	9%	0.091	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-64.1	-24.2	-178.8	62.5	0	0	0	0	113.9	R329 D345 V346 L463 R464	R329-S466 PolarHBondContact NH2-O 3.49Å; D345-S466 WeakPolarHBondContact OD1-CB 3.33Å; D345-S466 PolarHBondContact OD1-OG 3.14Å; V346-S466 PolarHBondContact N-O 2.93Å; V346-S466 WeakPolarHBondContact O-CB 3.49Å; L463-S466 PolarHBondContact O-N 2.79Å; L463-S466 PolarHBondContact O-OG 2.81Å; R464-S466 PolarHBondContact O-N 3.31Å
467	G	88.4	Confident	91.8	Very high	20 Å²	20	41.3 Å²	41.3	21%	0.206	23%	0.227	C	C	.	.			trans	115.3	-160.2	175.2	0	0	0	0	0	113.1	L465	L465-G467 PolarHBondContact O-N 2.82Å
468	G	82.8	Confident	92	Very high	58 Å²	58	40.2 Å²	40.2	60%	0.598	22%	0.22	S	C	*	.	S	Bend	trans	100	2.6	178.3	0	0	0	0	0	115.6	L343	L343-G468 VanDerWaalsContact O-CA 3.25Å; L343-G468 WeakPolarHBondContact O-CA 3.41Å; L343-G468 PolarHBondContact O-N 3.5Å
469	G	84.9	Confident	92.1	Very high	35 Å²	35	38.3 Å²	38.3	36%	0.361	21%	0.207	S	C	.	.	S	Bend	trans	-165.2	-158.7	179.8	0	0	0	0	0	113.6	W471	G469-W471 VanDerWaalsContact C-N 3.28Å
470	D	86.1	Confident	92.2	Very high	83 Å²	83	37.3 Å²	37.3	44%	0.444	20%	0.201	S	C	.	.	S	Bend	trans	-87.5	5.9	179.8	-65.9	-33.6	0	0	0	113.9	Q426 R428	Q426-D470 PolarHBondContact NE2-O 3.5Å; R428-D470 IonicContact CZ-OD1 3.32Å; R428-D470 IonicContact CZ-OD2 3.55Å; R428-D470 IonicContact NE-OD1 2.7Å; R428-D470 PolarHBondContact NE-OD1 3.3Å; R428-D470 IonicContact NE-OD2 3.63Å; R428-D470 VanDerWaalsContact NH2-CG 3.31Å; R428-D470 IonicContact NH2-OD1 3.11Å; R428-D470 PolarHBondContact NH2-OD1 3.04Å; R428-D470 VanDerWaalsContact NH2-OD1 3.11Å; R428-D470 IonicContact NH2-OD2 2.71Å; R428-D470 PolarHBondContact NH2-OD2 3.34Å
471	W	90.8	Very high	92.1	Very high	138 Å²	138	31.5 Å²	31.5	52%	0.523	18%	0.175	S	C	.	.	S	Bend	trans	-73	176	175.5	-164.3	-119.2	0	0	0	111.9	G469 I473	G469-W471 VanDerWaalsContact C-N 3.28Å; W471-I473 WeakPolarHBondContact O-CG1 3.48Å; W471-I473 PolarHBondContact O-N 2.97Å
472	H	92.3	Very high	91.8	Very high	5 Å²	5	31.3 Å²	31.3	2%	0.023	17%	0.171	C	C	.	.			trans	-58.7	130.6	172	-67.4	-80.4	0	0	0	110.4	T424 Q426 V436 W438 L465	T424-H472 HydrophobicContact CG2-CB 4.24Å; Q426-H472 PolarHBondContact OE1-CE1 3.45Å; Q426-H472 VanDerWaalsContact OE1-CE1 3.25Å; V436-H472 VanDerWaalsContact CG2-CE1 3.45Å; V436-H472 WeakPolarHBondContact CG2-CE1 3.31Å; W438-H472 HydrophobicContact CZ2-CB 4.18Å; W438-H472 AromaticContact CZ2-CD2 3.92Å; W438-H472 AromaticContact CZ2-CG 3.96Å; L465-H472 HydrophobicContact CD2-CB 3.73Å
473	I	94.1	Very high	91.2	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.01	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	129.8	-178.8	-52.5	-173.2	0	0	0	109.3	R329 L343 T424 H425 W471 Y475	R329-I473 VanDerWaalsContact NE-CG2 3.28Å; L343-I473 HydrophobicContact CB-CD1 4.16Å; L343-I473 HydrophobicContact CD2-CD1 3.41Å; L343-I473 VanDerWaalsContact CD2-CD1 3.41Å; L343-I473 HydrophobicContact CG-CD1 4.39Å; T424-I473 CarbonylContact C-O 3.6Å; T424-I473 WeakPolarHBondContact CA-O 3.4Å; T424-I473 WeakPolarHBondContact CB-O 3.48Å; H425-I473 PolarHBondContact N-O 3.32Å; H425-I473 PolarHBondContact O-N 2.92Å; W471-I473 WeakPolarHBondContact O-CG1 3.48Å; W471-I473 PolarHBondContact O-N 2.97Å; I473-Y475 PolarHBondContact O-N 2.73Å
474	A	95.3	Very high	90.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	129.1	174.7	0	0	0	0	0	111.2	M327 R329 F348 V422 L465 L477	M327-A474 HydrophobicContact SD-CB 3.55Å; M327-A474 VanDerWaalsContact SD-CB 3.55Å; R329-A474 PolarHBondContact NE-O 2.6Å; F348-A474 HydrophobicContact CD1-CB 4.25Å; F348-A474 HydrophobicContact CE1-CB 3.61Å; F348-A474 HydrophobicContact CZ-CB 4.25Å; V422-A474 HydrophobicContact CG1-CB 4.02Å; L465-A474 WeakPolarHBondContact O-CB 3.49Å; L465-A474 PolarHBondContact O-N 3Å; A474-L477 HydrophobicContact CB-CD2 4.03Å
475	Y	94.8	Very high	89.1	Confident	7 Å²	7	28 Å²	28	3%	0.027	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	-44.3	-177.5	-177	-131.9	0	0	0	111.7	D199 N201 M327 F330 L423 Y435 I473	D199-Y475 VanDerWaalsContact CG-OH 3.26Å; D199-Y475 WeakPolarHBondContact OD1-CE1 3.39Å; D199-Y475 PolarHBondContact OD1-OH 2.86Å; D199-Y475 PolarHBondContact OD2-OH 2.77Å; N201-Y475 HydrophobicContact CB-CE1 3.58Å; N201-Y475 WeakPolarHBondContact CB-OH 3.4Å; M327-Y475 WeakPolarHBondContact CB-O 3.37Å; M327-Y475 PolarHBondContact N-O 3.1Å; M327-Y475 WeakPolarHBondContact O-CD2 3.32Å; F330-Y475 AromaticContact CD2-CE2 3.71Å; F330-Y475 HydrophobicContact CD2-CE2 3.71Å; F330-Y475 AromaticContact CD2-CZ 3.94Å; F330-Y475 HydrophobicContact CE2-CD2 4.12Å; F330-Y475 HydrophobicContact CE2-CE1 4.31Å; F330-Y475 AromaticContact CE2-CE2 3.6Å; F330-Y475 HydrophobicContact CE2-CE2 3.6Å; F330-Y475 AromaticContact CE2-CZ 3.71Å; L423-Y475 HydrophobicContact CD2-CD1 3.99Å; L423-Y475 WeakPolarHBondContact O-CA 3.45Å; L423-Y475 PolarHBondContact O-N 3.45Å; Y435-Y475 HydrophobicContact CE1-CD1 4.03Å; Y435-Y475 HydrophobicContact CE1-CE1 4.35Å; I473-Y475 PolarHBondContact O-N 2.73Å
476	V	96.4	Very high	87.8	Confident	2 Å²	2	31.5 Å²	31.5	1%	0.012	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	133.3	169.3	-175.6	0	0	0	0	108.6	N201 T324 V325 L423	N201-V476 HydrophobicContact CB-CG2 4.32Å; N201-V476 WeakPolarHBondContact OD1-CG2 3.5Å; T324-V476 HydrophobicContact CG2-CG1 3.56Å; V325-V476 WeakPolarHBondContact O-CA 3.19Å; L423-V476 HydrophobicContact CB-CB 3.95Å; L423-V476 PolarHBondContact N-O 2.86Å; L423-V476 PolarHBondContact O-N 2.91Å; L423-V476 VanDerWaalsContact O-N 3.09Å
477	L	96.9	Very high	86	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	131.1	173.9	-58.4	173.2	0	0	0	108.3	L285 V325 M327 F348 L419 V422 A474 Y479	L285-L477 HydrophobicContact CD1-CD1 4.37Å; L285-L477 HydrophobicContact CD2-CD1 3.89Å; V325-L477 HydrophobicContact CB-CB 4.33Å; V325-L477 PolarHBondContact N-O 2.79Å; V325-L477 PolarHBondContact O-N 3.01Å; M327-L477 HydrophobicContact SD-CD1 4.19Å; M327-L477 HydrophobicContact SD-CG 4.38Å; F348-L477 HydrophobicContact CB-CD1 3.66Å; F348-L477 HydrophobicContact CD1-CD1 4.17Å; F348-L477 HydrophobicContact CD1-CD2 4.3Å; F348-L477 HydrophobicContact CD2-CD1 4.25Å; F348-L477 HydrophobicContact CD2-CD2 4.08Å; F348-L477 HydrophobicContact CE1-CD2 4.32Å; F348-L477 HydrophobicContact CE2-CD2 4.12Å; F348-L477 HydrophobicContact CG-CD1 3.77Å; F348-L477 HydrophobicContact CG-CD2 4.18Å; F348-L477 HydrophobicContact CZ-CD2 4.23Å; L419-L477 HydrophobicContact CD1-CB 4.03Å; L419-L477 HydrophobicContact CD1-CD2 4.05Å; V422-L477 HydrophobicContact CB-CD2 4.33Å; V422-L477 HydrophobicContact CG1-CD2 3.85Å; V422-L477 HydrophobicContact CG2-CD2 3.86Å; A474-L477 HydrophobicContact CB-CD2 4.03Å; L477-Y479 HydrophobicContact CB-CD2 4.23Å; L477-Y479 HydrophobicContact CB-CE2 3.75Å; L477-Y479 HydrophobicContact CD1-CE2 4.07Å
478	L	96.9	Very high	83.9	Confident	3 Å²	3	40.1 Å²	40.1	2%	0.016	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	115.3	172.9	-178.8	68.6	0	0	0	108.9	S125 V126 W204 F246 Q420 A421	S125-L478 WeakPolarHBondContact OG-CD2 3.41Å; V126-L478 HydrophobicContact CG2-CD2 3.77Å; W204-L478 HydrophobicContact CH2-CD1 4.43Å; W204-L478 HydrophobicContact CH2-CD2 4.3Å; W204-L478 HydrophobicContact CZ2-CD1 4.41Å; F246-L478 HydrophobicContact CE1-CD1 4.01Å; Q420-L478 PolarHBondContact N-O 2.85Å; A421-L478 HydrophobicContact CB-CB 4.05Å; A421-L478 HydrophobicContact CB-CD2 4.14Å; A421-L478 PolarHBondContact N-O 2.93Å; A421-L478 VanDerWaalsContact N-O 3.13Å; A421-L478 PolarHBondContact O-N 3.05Å
479	Y	95.9	Very high	81.8	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	129.9	176.6	-76	-81	0	0	0	109.4	L285 Y322 L323 V325 P349 L352 D418 L419 L477	L285-Y479 HydrophobicContact CD2-CE2 3.98Å; L285-Y479 VanDerWaalsContact CD2-OH 3.26Å; L285-Y479 WeakPolarHBondContact CD2-OH 3.43Å; Y322-Y479 CarbonylContact C-O 3.58Å; Y322-Y479 WeakPolarHBondContact CA-O 3.24Å; L323-Y479 PolarHBondContact N-O 3.08Å; L323-Y479 PolarHBondContact O-N 2.9Å; V325-Y479 HydrophobicContact CG2-CD2 4.05Å; V325-Y479 HydrophobicContact CG2-CE2 4.19Å; P349-Y479 PolarHBondContact O-OH 2.71Å; P349-Y479 VanDerWaalsContact O-OH 3.13Å; L352-Y479 HydrophobicContact CB-CD1 3.78Å; L352-Y479 HydrophobicContact CB-CE1 3.55Å; L352-Y479 HydrophobicContact CB-CG 4.46Å; L352-Y479 HydrophobicContact CD2-CD1 4.24Å; L352-Y479 HydrophobicContact CD2-CD2 3.97Å; L352-Y479 HydrophobicContact CD2-CE1 4.24Å; L352-Y479 HydrophobicContact CD2-CE2 3.96Å; L352-Y479 HydrophobicContact CD2-CG 4.1Å; L352-Y479 HydrophobicContact CG-CE1 4.46Å; D418-Y479 CarbonylContact O-C 3.5Å; D418-Y479 WeakPolarHBondContact O-CA 3.3Å; L419-Y479 HydrophobicContact CB-CD1 4.1Å; L419-Y479 HydrophobicContact CB-CE1 3.85Å; L419-Y479 HydrophobicContact CD1-CD1 4.07Å; L419-Y479 HydrophobicContact CD1-CD2 4.32Å; L419-Y479 HydrophobicContact CD1-CE1 3.74Å; L419-Y479 HydrophobicContact CD1-CE2 4.02Å; L419-Y479 HydrophobicContact CD1-CG 4.35Å; L419-Y479 HydrophobicContact CG-CE1 4.38Å; L477-Y479 HydrophobicContact CB-CD2 4.23Å; L477-Y479 HydrophobicContact CB-CE2 3.75Å; L477-Y479 HydrophobicContact CD1-CE2 4.07Å
480	G	92.9	Very high	79.5	Confident	4 Å²	4	51.7 Å²	51.7	4%	0.041	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	171	175.7	0	0	0	0	0	112.4	A321 Y417 D418 R482	A321-G480 CarbonylContact O-C 3.59Å; Y417-G480 CarbonylContact C-O 3.54Å; Y417-G480 VanDerWaalsContact CA-O 3.26Å; Y417-G480 WeakPolarHBondContact CA-O 3.36Å; Y417-G480 WeakPolarHBondContact CB-O 3.16Å; Y417-G480 WeakPolarHBondContact CD1-O 3.35Å; D418-G480 PolarHBondContact N-O 3.36Å; D418-G480 PolarHBondContact O-N 3.41Å; G480-R482 PolarHBondContact O-N 2.75Å
481	P	89.8	Confident	76.8	Confident	13 Å²	13	60.2 Å²	60.2	8%	0.084	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	133.1	-179.2	28.6	-32.1	0	0	0	110.3	A321 F403 R483	A321-P481 HydrophobicContact CB-CG 4.43Å; A321-P481 VanDerWaalsContact O-CD 3.26Å; A321-P481 WeakPolarHBondContact O-CD 3.38Å; F403-P481 HydrophobicContact CB-CB 3.75Å; F403-P481 HydrophobicContact CB-CG 4.43Å; F403-P481 HydrophobicContact CD1-CB 4.3Å; F403-P481 HydrophobicContact CD1-CG 4.05Å; F403-P481 HydrophobicContact CD2-CB 3.64Å; F403-P481 HydrophobicContact CD2-CG 3.73Å; F403-P481 HydrophobicContact CE1-CG 4.23Å; F403-P481 HydrophobicContact CE2-CB 4.33Å; F403-P481 HydrophobicContact CE2-CG 3.94Å; F403-P481 HydrophobicContact CG-CB 3.62Å; F403-P481 HydrophobicContact CG-CG 3.8Å; F403-P481 HydrophobicContact CZ-CG 4.17Å; P481-R483 PolarHBondContact O-N 3.47Å
482	R	85.6	Confident	76.1	Confident	44 Å²	44	56.3 Å²	56.3	17%	0.166	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-72	125.6	170.1	-168.5	177.9	-177.7	-169.1	0.2	108.9	F373 E377 G480	F373-R482 HydrophobicContact CE1-CB 4.23Å; F373-R482 HydrophobicContact CE1-CG 3.81Å; F373-R482 HydrophobicContact CZ-CB 4.37Å; F373-R482 HydrophobicContact CZ-CG 4.42Å; E377-R482 IonicContact OE1-CZ 3.64Å; E377-R482 IonicContact OE1-NH1 3.33Å; E377-R482 PolarHBondContact OE1-NH1 3.39Å; E377-R482 IonicContact OE1-NH2 2.79Å; E377-R482 PolarHBondContact OE1-NH2 3.24Å; G480-R482 PolarHBondContact O-N 2.75Å
483	R	80.6	Confident	75.2	Confident	101 Å²	101	59 Å²	59	38%	0.381	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-96.4	132.9	-177.8	-62.6	-171.6	176.8	-173	-2.6	111	E128 Y400 P481	E128-R483 IonicContact OE1-NH2 3.35Å; E128-R483 PolarHBondContact OE1-NH2 3.24Å; Y400-R483 HydrophobicContact CD1-CB 3.45Å; Y400-R483 VanDerWaalsContact CD1-CB 3.45Å; Y400-R483 HydrophobicContact CD1-CG 4.46Å; Y400-R483 HydrophobicContact CE1-CB 4.01Å; Y400-R483 HydrophobicContact CG-CB 3.94Å; P481-R483 PolarHBondContact O-N 3.47Å
484	L	69.9	Low	74.1	Confident	15 Å²	15	62.2 Å²	62.2	8%	0.079	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-85.4	128.8	170.5	-84.6	165.4	0	0	0	109.8	I369 K372 F373 M376 Y400 E401	I369-L484 HydrophobicContact CG2-CD1 4.47Å; K372-L484 HydrophobicContact CB-CD1 4.45Å; F373-L484 HydrophobicContact CB-CD2 4.48Å; F373-L484 HydrophobicContact CD1-CD1 4.23Å; F373-L484 HydrophobicContact CD1-CD2 3.45Å; F373-L484 VanDerWaalsContact CD1-CD2 3.45Å; F373-L484 HydrophobicContact CD1-CG 3.72Å; F373-L484 HydrophobicContact CD2-CD1 3.53Å; F373-L484 HydrophobicContact CD2-CD2 4.23Å; F373-L484 HydrophobicContact CD2-CG 3.94Å; F373-L484 HydrophobicContact CE1-CD1 4.11Å; F373-L484 HydrophobicContact CE1-CD2 3.62Å; F373-L484 HydrophobicContact CE1-CG 3.41Å; F373-L484 VanDerWaalsContact CE1-CG 3.41Å; F373-L484 HydrophobicContact CE2-CD1 3.34Å; F373-L484 HydrophobicContact CE2-CD2 4.34Å; F373-L484 HydrophobicContact CE2-CG 3.61Å; F373-L484 HydrophobicContact CG-CD1 3.98Å; F373-L484 HydrophobicContact CG-CD2 3.8Å; F373-L484 HydrophobicContact CG-CG 3.99Å; F373-L484 HydrophobicContact CZ-CB 4.43Å; F373-L484 HydrophobicContact CZ-CD1 3.7Å; F373-L484 HydrophobicContact CZ-CD2 4.1Å; F373-L484 HydrophobicContact CZ-CG 3.38Å; M376-L484 HydrophobicContact CB-CD2 4.27Å; M376-L484 HydrophobicContact CG-CD2 4.2Å; Y400-L484 CarbonylContact C-O 3.56Å; Y400-L484 WeakPolarHBondContact CA-O 3.42Å; E401-L484 HydrophobicContact CB-CB 4.08Å; E401-L484 HydrophobicContact CG-CB 4.35Å; E401-L484 PolarHBondContact N-O 3.21Å
485	E	72.5	Confident	72.9	Confident	46 Å²	46	65.8 Å²	65.8	22%	0.215	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-76.4	123.8	171.3	-54.3	-174	139.4	0	0	108.9	M376 K380 V398 Y400 L487	M376-E485 WeakPolarHBondContact CE-O 3.36Å; K380-E485 WeakPolarHBondContact CE-OE2 3.22Å; K380-E485 IonicContact NZ-OE2 2.75Å; K380-E485 PolarHBondContact NZ-OE2 2.84Å; V398-E485 HydrophobicContact CG1-CB 3.56Å; V398-E485 HydrophobicContact CG1-CG 3.47Å; V398-E485 VanDerWaalsContact CG1-CG 3.47Å; Y400-E485 HydrophobicContact CD1-CG 4.24Å; Y400-E485 HydrophobicContact CE1-CG 3.84Å; E485-L487 PolarHBondContact O-N 2.82Å; E485-L487 VanDerWaalsContact O-N 3.16Å
486	I	65.4	Low	71.5	Confident	73 Å²	73	69.5 Å²	69.5	37%	0.374	33%	0.325	S	S	.	.			trans	-72.5	106.4	167.2	-59.3	170.4	0	0	0	105.8	K399 E401 E488	K399-I486 HydrophobicContact CB-CB 4.34Å; K399-I486 HydrophobicContact CB-CD1 4.2Å; K399-I486 WeakPolarHBondContact O-CB 3.38Å; K399-I486 PolarHBondContact O-N 3.29Å; E401-I486 HydrophobicContact CB-CG1 4.41Å; E401-I486 HydrophobicContact CG-CD1 4.13Å; E401-I486 HydrophobicContact CG-CG1 3.57Å; I486-E488 PolarHBondContact O-N 3.03Å; I486-E488 VanDerWaalsContact O-N 3.09Å
487	L	54.3	Low	69.9	Low	83 Å²	83	74 Å²	74	44%	0.435	35%	0.346	S	S	.	.			trans	-70.1	103.1	163.3	-65.9	171.5	0	0	0	106	M376 E485 E489	M376-L487 HydrophobicContact CE-CD1 3.67Å; M376-L487 HydrophobicContact CE-CG 3.79Å; M376-L487 HydrophobicContact SD-CD1 3.53Å; M376-L487 VanDerWaalsContact SD-CD1 3.53Å; M376-L487 HydrophobicContact SD-CG 4.15Å; E485-L487 PolarHBondContact O-N 2.82Å; E485-L487 VanDerWaalsContact O-N 3.16Å; L487-E489 PolarHBondContact O-N 2.94Å
488	E	44.2	Very low	67.9	Low	130 Å²	130	79.3 Å²	79.3	61%	0.607	37%	0.371	S	S	*	.			trans	-57.6	108.2	159.8	-74.6	-176.7	173.4	0	0	105.8	K399 I486 E490	K399-E488 IonicContact NZ-OE1 2.77Å; K399-E488 PolarHBondContact NZ-OE1 2.9Å; I486-E488 PolarHBondContact O-N 3.03Å; I486-E488 VanDerWaalsContact O-N 3.09Å; E488-E490 PolarHBondContact O-N 2.98Å; E488-E490 VanDerWaalsContact O-N 3.11Å
489	E	38.8	Very low	65.7	Low	167 Å²	167	85.2 Å²	85.2	78%	0.78	40%	0.398	S	S	*	.			trans	-57.9	116.4	166.4	-74.5	-174.6	157.9	0	0	106	L487 Q491	L487-E489 PolarHBondContact O-N 2.94Å; E489-Q491 VanDerWaalsContact C-N 3.34Å; E489-Q491 PolarHBondContact O-N 2.66Å
490	E	35.3	Very low	63.2	Low	170 Å²	170	92.3 Å²	92.3	79%	0.794	43%	0.431	S	S	*	.			trans	-56.2	101	169.1	-74.1	175.4	169.9	0	0	106.9	K396 E488	K396-E490 IonicContact NZ-OE1 3.87Å; K396-E490 PolarHBondContact NZ-OE1 3.02Å; E488-E490 PolarHBondContact O-N 2.98Å; E488-E490 VanDerWaalsContact O-N 3.11Å
491	Q	29.3	Very low	60.5	Low	261 Å²	261	100.3 Å²	100.3	100%	1.22	47%	0.467	S	S	*	.			trans	-72.6	0	169.3	-86.5	-170.9	-8.4	0	0	111	E489	E489-Q491 VanDerWaalsContact C-N 3.34Å; E489-Q491 PolarHBondContact O-N 2.66Å

Retrieved 491 of 491 residues in 1305.9 ms (Link to these results)

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