A0A096M7J3_POEFO Loading...

Discs, large homolog 2 (Drosophila)

AlphaFold DB , UniProt , Accession A0A096M7J3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 487 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	34.8	Very low	46.6	Very low	247 Å²	247	137.3 Å²	137.3	100%	1.217	73%	0.725	S	S	*	*				0	123.5	0	-73.8	173	167.5	0	0	108.1
2	L	32.5	Very low	47.1	Very low	179 Å²	179	140.2 Å²	140.2	94%	0.937	72%	0.721	S	S	*	*			trans	-105.9	150.8	165.8	-73.3	164.7	0	0	0	107.8
3	K	34.3	Very low	47.3	Very low	178 Å²	178	142.2 Å²	142.2	77%	0.774	72%	0.715	S	S	*	*			trans	-88.9	142.1	-173	-69.2	-176.7	179.5	178.8	0	111.6	T5	K3-T5 PolarHBondContact O-N 2.78Å
4	P	45.8	Very low	47.6	Very low	134 Å²	134	137.2 Å²	137.2	87%	0.87	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.2	70	-179	36.6	-35.3	0	0	0	112
5	T	48.3	Very low	47.9	Very low	100 Å²	100	133 Å²	133	61%	0.613	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.8	-23.3	-178.9	40	0	0	0	0	115.5	K3 S7	K3-T5 PolarHBondContact O-N 2.78Å; T5-S7 VanDerWaalsContact C-N 3.3Å; T5-S7 PolarHBondContact O-N 2.76Å
6	D	48.3	Very low	47.9	Very low	104 Å²	104	128.7 Å²	128.7	56%	0.556	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.9	12.1	-158.5	-48.5	-6.6	0	0	0	113	L10	D6-L10 PolarHBondContact O-N 2.95Å
7	S	59.2	Low	48.2	Very low	74 Å²	74	127.4 Å²	127.4	52%	0.517	65%	0.65	S	S	.	*	H	α-helix	trans	-70.8	-40.3	-167.6	54.5	0	0	0	0	114.3	T5 I11	T5-S7 VanDerWaalsContact C-N 3.3Å; T5-S7 PolarHBondContact O-N 2.76Å; S7-I11 WeakPolarHBondContact O-CB 3.23Å; S7-I11 WeakPolarHBondContact O-CD1 3.32Å; S7-I11 WeakPolarHBondContact O-CG1 3.28Å; S7-I11 PolarHBondContact O-N 2.88Å
8	L	51.2	Low	48.6	Very low	137 Å²	137	126 Å²	126	72%	0.717	64%	0.636	S	S	*	*	H	α-helix	trans	-73.7	-41	-173.7	-76.4	170.3	0	0	0	113	I11 Y12	L8-I11 PolarHBondContact O-N 3.02Å; L8-Y12 WeakPolarHBondContact O-CB 3.33Å; L8-Y12 PolarHBondContact O-N 3Å
9	E	52.6	Low	49.5	Very low	159 Å²	159	125 Å²	125	74%	0.743	62%	0.624	S	S	*	*	H	α-helix	trans	-68	-39	175.7	-71.5	-167.6	141.4	0	0	111.8	Y12 Y13	E9-Y12 PolarHBondContact O-N 3.37Å; E9-Y13 WeakPolarHBondContact O-CB 3.44Å; E9-Y13 PolarHBondContact O-N 2.75Å
10	L	53.1	Low	51	Low	104 Å²	104	125.9 Å²	125.9	55%	0.545	63%	0.626	S	S	.	*	H	α-helix	trans	-63	-43.1	172.4	-98.5	155.6	0	0	0	112.2	D6 Y12 Y13 L14	D6-L10 PolarHBondContact O-N 2.95Å; L10-Y12 VanDerWaalsContact C-N 3.29Å; L10-Y12 PolarHBondContact O-N 3.3Å; L10-Y13 PolarHBondContact O-N 3Å; L10-L14 HydrophobicContact CD2-CD1 4.47Å; L10-L14 VanDerWaalsContact O-CB 3.29Å; L10-L14 WeakPolarHBondContact O-CB 3.25Å; L10-L14 WeakPolarHBondContact O-CD1 3.38Å; L10-L14 WeakPolarHBondContact O-CG 3.28Å; L10-L14 PolarHBondContact O-N 3.12Å
11	I	53.1	Low	52.8	Low	94 Å²	94	123.1 Å²	123.1	48%	0.482	62%	0.617	S	S	.	*	H	α-helix	trans	-63.4	-36.6	174.9	-73.4	166	0	0	0	111.1	S7 L8 N15	S7-I11 WeakPolarHBondContact O-CB 3.23Å; S7-I11 WeakPolarHBondContact O-CD1 3.32Å; S7-I11 WeakPolarHBondContact O-CG1 3.28Å; S7-I11 PolarHBondContact O-N 2.88Å; L8-I11 PolarHBondContact O-N 3.02Å; I11-N15 WeakPolarHBondContact O-CB 3.31Å; I11-N15 PolarHBondContact O-N 2.93Å; I11-N15 PolarHBondContact O-ND2 2.79Å
12	Y	51.5	Low	55.5	Low	172 Å²	172	114 Å²	114	68%	0.675	57%	0.57	S	S	*	*	H	α-helix	trans	-69.9	-49.2	176.7	-156.8	-91.4	0	0	0	111.6	L8 E9 L10 L14 N15 C16	L8-Y12 WeakPolarHBondContact O-CB 3.33Å; L8-Y12 PolarHBondContact O-N 3Å; E9-Y12 PolarHBondContact O-N 3.37Å; L10-Y12 VanDerWaalsContact C-N 3.29Å; L10-Y12 PolarHBondContact O-N 3.3Å; Y12-L14 PolarHBondContact O-N 2.73Å; Y12-N15 PolarHBondContact O-N 2.75Å; Y12-N15 VanDerWaalsContact O-N 3.14Å; Y12-C16 PolarHBondContact O-N 3.3Å; Y12-C16 PolarHBondContact O-SG 3.32Å; Y12-C16 VanDerWaalsContact O-SG 3.39Å
13	Y	50.4	Low	58.3	Low	167 Å²	167	109.9 Å²	109.9	66%	0.655	55%	0.552	S	S	*	*	H	α-helix	trans	-57.7	-44.5	175.7	-106.6	-88.1	0	0	0	112.3	E9 L10 C16 I17	E9-Y13 WeakPolarHBondContact O-CB 3.44Å; E9-Y13 PolarHBondContact O-N 2.75Å; L10-Y13 PolarHBondContact O-N 3Å; Y13-C16 PolarHBondContact O-N 2.89Å; Y13-I17 HydrophobicContact CD1-CD1 4.32Å; Y13-I17 WeakPolarHBondContact O-CB 3.39Å; Y13-I17 VanDerWaalsContact O-CG1 3.28Å; Y13-I17 WeakPolarHBondContact O-CG1 3.3Å; Y13-I17 PolarHBondContact O-N 3Å
14	L	51.8	Low	61.1	Low	72 Å²	72	101.4 Å²	101.4	38%	0.377	52%	0.515	S	S	.	.	H	α-helix	trans	-65.4	-40.5	176	-69.6	167.3	0	0	0	111.5	L10 Y12 C16 I17 Y18	L10-L14 HydrophobicContact CD2-CD1 4.47Å; L10-L14 VanDerWaalsContact O-CB 3.29Å; L10-L14 WeakPolarHBondContact O-CB 3.25Å; L10-L14 WeakPolarHBondContact O-CD1 3.38Å; L10-L14 WeakPolarHBondContact O-CG 3.28Å; L10-L14 PolarHBondContact O-N 3.12Å; Y12-L14 PolarHBondContact O-N 2.73Å; L14-C16 VanDerWaalsContact C-N 3.33Å; L14-C16 PolarHBondContact O-N 2.98Å; L14-I17 PolarHBondContact O-N 2.78Å; L14-Y18 HydrophobicContact CB-CD2 4.39Å; L14-Y18 HydrophobicContact CB-CE2 4.17Å; L14-Y18 HydrophobicContact CD2-CE2 3.99Å; L14-Y18 WeakPolarHBondContact O-CD2 3.18Å; L14-Y18 PolarHBondContact O-N 3.01Å
15	N	51.7	Low	63.3	Low	74 Å²	74	98.3 Å²	98.3	40%	0.396	49%	0.493	S	S	.	.	H	α-helix	trans	-62.8	-36.6	173.8	-92.5	-80.5	0	0	0	112.8	I11 Y12 R19	I11-N15 WeakPolarHBondContact O-CB 3.31Å; I11-N15 PolarHBondContact O-N 2.93Å; I11-N15 PolarHBondContact O-ND2 2.79Å; Y12-N15 PolarHBondContact O-N 2.75Å; Y12-N15 VanDerWaalsContact O-N 3.14Å; N15-R19 WeakPolarHBondContact O-CB 3.5Å; N15-R19 WeakPolarHBondContact O-CD 3.11Å; N15-R19 WeakPolarHBondContact O-CG 3.29Å; N15-R19 PolarHBondContact O-N 3.13Å
16	C	48	Very low	65.4	Low	64 Å²	64	93.7 Å²	93.7	43%	0.432	47%	0.465	S	S	.	.	H	α-helix	trans	-66.9	-52.1	173.5	-68.1	0	0	0	0	111.2	Y12 Y13 L14 Y18 R19	Y12-C16 PolarHBondContact O-N 3.3Å; Y12-C16 PolarHBondContact O-SG 3.32Å; Y12-C16 VanDerWaalsContact O-SG 3.39Å; Y13-C16 PolarHBondContact O-N 2.89Å; L14-C16 VanDerWaalsContact C-N 3.33Å; L14-C16 PolarHBondContact O-N 2.98Å; C16-Y18 VanDerWaalsContact C-N 3.32Å; C16-Y18 PolarHBondContact O-N 3.35Å; C16-R19 PolarHBondContact O-N 3Å; C16-R19 VanDerWaalsContact O-N 3.12Å
17	I	53	Low	67.4	Low	106 Å²	106	94.2 Å²	94.2	54%	0.544	46%	0.464	S	S	.	.	H	α-helix	trans	-59.4	-38.7	-176.6	-71.3	165.9	0	0	0	112.3	Y13 L14	Y13-I17 HydrophobicContact CD1-CD1 4.32Å; Y13-I17 WeakPolarHBondContact O-CB 3.39Å; Y13-I17 VanDerWaalsContact O-CG1 3.28Å; Y13-I17 WeakPolarHBondContact O-CG1 3.3Å; Y13-I17 PolarHBondContact O-N 3Å; L14-I17 PolarHBondContact O-N 2.78Å
18	Y	54.9	Low	68.6	Low	103 Å²	103	92.3 Å²	92.3	40%	0.404	45%	0.446	S	S	.	.	H	α-helix	trans	-79.5	-18.2	179.2	-66.6	-54.8	0	0	0	114.4	L14 C16 Y102	L14-Y18 HydrophobicContact CB-CD2 4.39Å; L14-Y18 HydrophobicContact CB-CE2 4.17Å; L14-Y18 HydrophobicContact CD2-CE2 3.99Å; L14-Y18 WeakPolarHBondContact O-CD2 3.18Å; L14-Y18 PolarHBondContact O-N 3.01Å; C16-Y18 VanDerWaalsContact C-N 3.32Å; C16-Y18 PolarHBondContact O-N 3.35Å; Y18-Y102 VanDerWaalsContact O-CB 3.28Å; Y18-Y102 WeakPolarHBondContact O-CB 3.3Å
19	R	65.9	Low	70	Confident	107 Å²	107	87.5 Å²	87.5	40%	0.404	43%	0.429	S	S	.	.	H	α-helix	trans	-87.5	-9.7	-177.2	-77.1	178.9	-169	-118.5	-1.3	114.5	N15 C16 Q101 E105	N15-R19 WeakPolarHBondContact O-CB 3.5Å; N15-R19 WeakPolarHBondContact O-CD 3.11Å; N15-R19 WeakPolarHBondContact O-CG 3.29Å; N15-R19 PolarHBondContact O-N 3.13Å; C16-R19 PolarHBondContact O-N 3Å; C16-R19 VanDerWaalsContact O-N 3.12Å; R19-Q101 WeakPolarHBondContact O-CG 3.33Å; R19-Q101 PolarHBondContact O-NE2 3.49Å; R19-E105 IonicContact CZ-OE1 2.65Å; R19-E105 IonicContact NH1-OE1 2.67Å; R19-E105 PolarHBondContact NH1-OE1 2.63Å; R19-E105 IonicContact NH2-OE1 3.44Å; R19-E105 PolarHBondContact NH2-OE1 3.13Å
20	E	80.2	Confident	71	Confident	142 Å²	142	86.4 Å²	86.4	66%	0.664	44%	0.439	S	S	*	.	S	Bend	trans	-80.4	148.1	174	-65.4	-163.6	154.1	0	0	112.2	R22	E20-R22 PolarHBondContact O-N 2.89Å
21	P	87.9	Confident	71.9	Confident	68 Å²	68	86.6 Å²	86.6	44%	0.442	45%	0.445	S	S	.	.			trans	-59.9	124.7	171.1	-25.8	36.3	0	0	0	112.3	L70 V99 A100 Q101	P21-L70 HydrophobicContact CB-CD1 3.9Å; P21-L70 HydrophobicContact CG-CD1 3.87Å; P21-V99 HydrophobicContact CB-CG1 4.01Å; P21-A100 WeakPolarHBondContact CA-O 3.37Å; P21-Q101 HydrophobicContact CG-CB 4.38Å; P21-Q101 HydrophobicContact CG-CG 4.26Å
22	R	91.6	Very high	73.5	Confident	57 Å²	57	83.3 Å²	83.3	22%	0.215	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	144.2	-179.9	68.8	-167.1	-173.4	-78.5	3.2	111.8	E20 V24 E62 D67 V99 A100	E20-R22 PolarHBondContact O-N 2.89Å; R22-V24 HydrophobicContact CG-CG2 4.26Å; R22-E62 VanDerWaalsContact CZ-O 3.26Å; R22-E62 PolarHBondContact NE-O 3.48Å; R22-E62 PolarHBondContact NH2-O 3.07Å; R22-D67 IonicContact CZ-OD1 2.69Å; R22-D67 VanDerWaalsContact CZ-OD1 3.3Å; R22-D67 IonicContact CZ-OD2 3.15Å; R22-D67 IonicContact NH1-OD1 2.75Å; R22-D67 PolarHBondContact NH1-OD1 3.4Å; R22-D67 IonicContact NH1-OD2 3.47Å; R22-D67 IonicContact NH2-OD1 2.78Å; R22-D67 PolarHBondContact NH2-OD1 3.42Å; R22-D67 IonicContact NH2-OD2 2.7Å; R22-D67 PolarHBondContact NH2-OD2 3.22Å; R22-V99 WeakPolarHBondContact O-CA 3.18Å; R22-A100 PolarHBondContact N-O 2.85Å; R22-A100 PolarHBondContact O-N 3.29Å
23	T	92.4	Very high	75.1	Confident	91 Å²	91	75.9 Å²	75.9	56%	0.558	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.8	119.4	177.3	-56.4	0	0	0	0	109.8	T97 I98	T23-T97 HydrophobicContact CG2-CG2 3.43Å; T23-T97 VanDerWaalsContact CG2-CG2 3.43Å; T23-I98 CarbonylContact C-O 3.59Å; T23-I98 WeakPolarHBondContact CA-O 3.42Å
24	V	92.2	Very high	76.7	Confident	1 Å²	1	68.3 Å²	68.3	1%	0.006	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	135	-179.3	178.6	0	0	0	0	108.5	R22 L26 E62 T97 I98	R22-V24 HydrophobicContact CG-CG2 4.26Å; V24-L26 HydrophobicContact CG1-CD2 3.79Å; V24-L26 HydrophobicContact CG1-CG 3.96Å; V24-E62 WeakPolarHBondContact CA-OE2 3.12Å; V24-E62 HydrophobicContact CB-CB 4.41Å; V24-E62 HydrophobicContact CG1-CB 3.79Å; V24-E62 WeakPolarHBondContact CG1-OE2 3.38Å; V24-E62 HydrophobicContact CG2-CB 3.95Å; V24-T97 CarbonylContact O-C 3.55Å; V24-T97 WeakPolarHBondContact O-CA 3.34Å; V24-I98 HydrophobicContact CB-CB 4.48Å; V24-I98 PolarHBondContact N-O 3.24Å; V24-I98 PolarHBondContact O-N 3.09Å
25	V	92.5	Very high	78.4	Confident	69 Å²	69	65.9 Å²	65.9	42%	0.418	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	112.1	178.4	-177.9	0	0	0	0	110.3	V95 T97	V25-V95 HydrophobicContact CG1-CG1 3.73Å; V25-T97 HydrophobicContact CG2-CG2 4.36Å
26	L	91.9	Very high	80.2	Confident	3 Å²	3	66.8 Å²	66.8	2%	0.016	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	139.6	-178.3	-58.7	-175.9	0	0	0	111.7	V24 L33 F35 A57 S60 V96 I98	V24-L26 HydrophobicContact CG1-CD2 3.79Å; V24-L26 HydrophobicContact CG1-CG 3.96Å; L26-L33 HydrophobicContact CB-CD2 3.82Å; L26-L33 HydrophobicContact CD1-CD2 4.36Å; L26-F35 HydrophobicContact CD1-CD1 4.17Å; L26-F35 HydrophobicContact CD1-CE1 3.82Å; L26-A57 HydrophobicContact CD1-CB 3.88Å; L26-S60 WeakPolarHBondContact CD2-OG 3.46Å; L26-V96 PolarHBondContact N-O 2.97Å; L26-V96 PolarHBondContact O-N 2.87Å; L26-I98 HydrophobicContact CD1-CD1 3.85Å; L26-I98 HydrophobicContact CG-CD1 4.45Å
27	H	89.7	Confident	82.2	Confident	115 Å²	115	64.9 Å²	64.9	53%	0.532	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	133.8	170	-66.7	-105.7	0	0	0	109.3	G29 P56 Q94	H27-G29 PolarHBondContact O-N 3.39Å; H27-P56 VanDerWaalsContact O-CB 3.22Å; H27-P56 WeakPolarHBondContact O-CB 3.49Å; H27-P56 WeakPolarHBondContact O-CG 3.5Å; H27-Q94 WeakPolarHBondContact CA-O 3.35Å
28	K	85.6	Confident	83.7	Confident	34 Å²	34	61.7 Å²	61.7	15%	0.148	34%	0.341	C	S	.	.			trans	-69.5	122.5	178	-75.7	-173	-178.7	141.7	0	111	L33 L89 K90 G93 Q94 V96	K28-L33 HydrophobicContact CG-CD2 3.54Å; K28-L33 HydrophobicContact CG-CG 3.96Å; K28-L89 VanDerWaalsContact CE-O 3.25Å; K28-L89 WeakPolarHBondContact CE-O 3.45Å; K28-L89 PolarHBondContact NZ-O 3.23Å; K28-K90 PolarHBondContact NZ-O 3.31Å; K28-G93 WeakPolarHBondContact CD-O 3.28Å; K28-G93 VanDerWaalsContact CE-O 3.31Å; K28-G93 WeakPolarHBondContact CE-O 3.47Å; K28-G93 PolarHBondContact NZ-O 3.35Å; K28-Q94 PolarHBondContact N-O 2.89Å; K28-Q94 PolarHBondContact O-NE2 3.49Å; K28-V96 HydrophobicContact CG-CG2 4.33Å
29	G	78.9	Confident	85.3	Confident	35 Å²	35	57.1 Å²	57.1	36%	0.361	33%	0.325	S	S	.	.	B	Isolated β-bridge	trans	-79.3	179.9	166.8	0	0	0	0	0	111.7	H27 T31 G32	H27-G29 PolarHBondContact O-N 3.39Å; G29-T31 PolarHBondContact O-N 3.44Å; G29-T31 VanDerWaalsContact O-N 3.12Å; G29-G32 PolarHBondContact N-O 3.27Å; G29-G32 PolarHBondContact O-N 3.06Å
30	S	74.3	Confident	86.1	Confident	136 Å²	136	52.6 Å²	52.6	95%	0.951	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-22.3	176	49.5	0	0	0	0	114.1
31	T	72.2	Confident	85.9	Confident	108 Å²	108	51.9 Å²	51.9	66%	0.663	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.6	10.1	176.8	53.5	0	0	0	0	113.6	G29	G29-T31 PolarHBondContact O-N 3.44Å; G29-T31 VanDerWaalsContact O-N 3.12Å
32	G	85.8	Confident	85.2	Confident	25 Å²	25	55.8 Å²	55.8	26%	0.258	33%	0.326	S	S	.	.	B	Isolated β-bridge	trans	93.6	-141.6	-176.4	0	0	0	0	0	113.1	G29	G29-G32 PolarHBondContact N-O 3.27Å; G29-G32 PolarHBondContact O-N 3.06Å
33	L	86.1	Confident	84.1	Confident	16 Å²	16	56.3 Å²	56.3	8%	0.084	35%	0.349	C	S	.	.	S	Bend	trans	-90.1	-13.9	-173.2	-65.2	170.2	0	0	0	114.4	L26 K28 F35 A57 L89 V96	L26-L33 HydrophobicContact CB-CD2 3.82Å; L26-L33 HydrophobicContact CD1-CD2 4.36Å; K28-L33 HydrophobicContact CG-CD2 3.54Å; K28-L33 HydrophobicContact CG-CG 3.96Å; L33-F35 HydrophobicContact CB-CD1 3.77Å; L33-F35 HydrophobicContact CB-CE1 3.56Å; L33-F35 HydrophobicContact CD1-CE1 3.81Å; L33-F35 HydrophobicContact CD1-CZ 4.17Å; L33-F35 HydrophobicContact CG-CE1 4.28Å; L33-A57 WeakPolarHBondContact O-CB 3.41Å; L33-A57 PolarHBondContact O-N 2.93Å; L33-A57 VanDerWaalsContact O-N 3.1Å; L33-L89 HydrophobicContact CD1-CB 4.5Å; L33-L89 HydrophobicContact CD1-CD2 3.88Å; L33-V96 HydrophobicContact CD1-CB 4.35Å; L33-V96 HydrophobicContact CD1-CG1 4.19Å; L33-V96 HydrophobicContact CD1-CG2 4.22Å; L33-V96 HydrophobicContact CD2-CB 4.04Å; L33-V96 HydrophobicContact CD2-CG2 3.86Å
34	G	83.4	Confident	83.7	Confident	8 Å²	8	54.8 Å²	54.8	8%	0.082	34%	0.335	C	S	.	.	S	Bend	trans	76.5	29.2	178.6	0	0	0	0	0	115.3	L52	G34-L52 WeakPolarHBondContact O-CB 3.44Å; G34-L52 PolarHBondContact O-N 2.93Å
35	F	88.7	Confident	83.5	Confident	22 Å²	22	55.2 Å²	55.2	10%	0.096	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	158.1	170.2	70.8	-91.1	0	0	0	111.8	L26 L33 I37 V48 F50 I51 A57 L63 I69 L89 I98	L26-F35 HydrophobicContact CD1-CD1 4.17Å; L26-F35 HydrophobicContact CD1-CE1 3.82Å; L33-F35 HydrophobicContact CB-CD1 3.77Å; L33-F35 HydrophobicContact CB-CE1 3.56Å; L33-F35 HydrophobicContact CD1-CE1 3.81Å; L33-F35 HydrophobicContact CD1-CZ 4.17Å; L33-F35 HydrophobicContact CG-CE1 4.28Å; F35-I37 HydrophobicContact CD2-CG2 4.09Å; F35-I37 HydrophobicContact CE2-CG2 3.68Å; F35-V48 HydrophobicContact CB-CG1 4.3Å; F35-V48 HydrophobicContact CD2-CG1 4.31Å; F35-V48 HydrophobicContact CD2-CG2 4.23Å; F35-V48 HydrophobicContact CE2-CG2 4.46Å; F35-F50 CarbonylContact C-O 3.58Å; F35-F50 VanDerWaalsContact CA-O 3.26Å; F35-F50 WeakPolarHBondContact CA-O 3.17Å; F35-F50 WeakPolarHBondContact CB-O 3.45Å; F35-I51 HydrophobicContact CB-CG1 3.99Å; F35-A57 HydrophobicContact CB-CB 4.2Å; F35-A57 HydrophobicContact CD1-CB 3.81Å; F35-A57 HydrophobicContact CG-CB 4.44Å; F35-L63 HydrophobicContact CB-CD2 4.12Å; F35-L63 HydrophobicContact CD1-CD2 3.54Å; F35-L63 HydrophobicContact CD2-CD2 3.99Å; F35-L63 HydrophobicContact CE1-CD2 3.82Å; F35-L63 HydrophobicContact CE2-CD2 4.27Å; F35-L63 HydrophobicContact CG-CD2 3.62Å; F35-L63 HydrophobicContact CZ-CD2 4.18Å; F35-I69 HydrophobicContact CE2-CD1 3.62Å; F35-I69 HydrophobicContact CZ-CD1 4.12Å; F35-L89 HydrophobicContact CE2-CD1 3.98Å; F35-L89 HydrophobicContact CZ-CD1 4.03Å; F35-L89 HydrophobicContact CZ-CD2 3.77Å; F35-I98 HydrophobicContact CE1-CD1 3.74Å; F35-I98 HydrophobicContact CZ-CD1 3.66Å
36	N	88.5	Confident	83.5	Confident	92 Å²	92	52 Å²	52	49%	0.492	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	149.9	176.8	-63.6	-11.6	0	0	0	110.7	V48 S49 F50	N36-V48 WeakPolarHBondContact O-CA 3.41Å; N36-S49 WeakPolarHBondContact CB-OG 3.33Å; N36-S49 PolarHBondContact O-N 3.25Å; N36-S49 PolarHBondContact O-OG 3.45Å; N36-F50 HydrophobicContact CB-CB 4.2Å; N36-F50 PolarHBondContact N-O 3.34Å
37	I	90.8	Very high	83.5	Confident	24 Å²	24	52.2 Å²	52.2	12%	0.123	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	156.6	174.4	59.8	163.4	0	0	0	112	F35 I46 F47 I69 H82 A85 A86 L89	F35-I37 HydrophobicContact CD2-CG2 4.09Å; F35-I37 HydrophobicContact CE2-CG2 3.68Å; I37-I46 HydrophobicContact CB-CG2 3.96Å; I37-I46 HydrophobicContact CD1-CG2 3.95Å; I37-I46 HydrophobicContact CG2-CG2 4.05Å; I37-F47 CarbonylContact C-O 3.6Å; I37-F47 VanDerWaalsContact CA-O 3.26Å; I37-F47 WeakPolarHBondContact CA-O 3.42Å; I37-I69 HydrophobicContact CG2-CD1 3.63Å; I37-H82 PolarHBondContact O-CE1 2.87Å; I37-A85 HydrophobicContact CD1-CB 3.82Å; I37-A86 HydrophobicContact CD1-CB 4.34Å; I37-L89 HydrophobicContact CD1-CD1 4.17Å; I37-L89 HydrophobicContact CG2-CD1 3.89Å
38	V	84.9	Confident	83.5	Confident	39 Å²	39	46.7 Å²	46.7	24%	0.236	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	172.5	171.1	-66.6	0	0	0	0	109.6	I46 F47 Y107 F110	V38-I46 CarbonylContact O-C 3.58Å; V38-I46 WeakPolarHBondContact O-CA 3.27Å; V38-F47 HydrophobicContact CG2-CB 4.22Å; V38-F47 PolarHBondContact N-O 3.47Å; V38-F47 PolarHBondContact O-N 3.47Å; V38-Y107 HydrophobicContact CG2-CE2 4.01Å; V38-F110 HydrophobicContact CB-CE1 3.7Å; V38-F110 HydrophobicContact CB-CZ 4Å; V38-F110 HydrophobicContact CG2-CD1 4Å; V38-F110 HydrophobicContact CG2-CE1 3.4Å; V38-F110 VanDerWaalsContact CG2-CE1 3.4Å; V38-F110 HydrophobicContact CG2-CZ 4.13Å
39	G	86.9	Confident	83.4	Confident	7 Å²	7	46.1 Å²	46.1	7%	0.072	30%	0.296	C	S	.	.			trans	83	-173.4	-172.4	0	0	0	0	0	112.2	G45 H82	G39-G45 WeakPolarHBondContact CA-O 3.44Å; G39-H82 WeakPolarHBondContact O-CB 3.41Å; G39-H82 PolarHBondContact O-ND1 3.32Å
40	G	83.3	Confident	83.5	Confident	13 Å²	13	49.5 Å²	49.5	13%	0.134	30%	0.301	C	S	.	.			trans	88.8	10.5	-169.7	0	0	0	0	0	114.6	E44 T81	G40-E44 WeakPolarHBondContact CA-O 3.35Å; G40-E44 PolarHBondContact N-O 2.63Å; G40-T81 WeakPolarHBondContact O-CA 3.3Å
41	E	76.9	Confident	83.6	Confident	127 Å²	127	44.3 Å²	44.3	59%	0.593	26%	0.262	S	S	*	.	S	Bend	trans	-103.9	150.5	168.7	-65.1	-177.1	154.1	0	0	109.2	G43 E44	E41-G43 PolarHBondContact O-N 2.82Å; E41-E44 WeakPolarHBondContact O-CB 3.17Å; E41-E44 PolarHBondContact O-N 2.94Å
42	D	72.9	Confident	83.6	Confident	150 Å²	150	42.8 Å²	42.8	80%	0.802	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	11.6	-178.2	-60.7	-30.2	0	0	0	117.3	K113	D42-K113 IonicContact OD2-NZ 3.7Å; D42-K113 PolarHBondContact OD2-NZ 3.14Å
43	G	69.1	Low	82.6	Confident	68 Å²	68	48.3 Å²	48.3	70%	0.701	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.2	13.9	-172.7	0	0	0	0	0	114.5	E41	E41-G43 PolarHBondContact O-N 2.82Å
44	E	82.1	Confident	81.8	Confident	58 Å²	58	50 Å²	50	27%	0.271	29%	0.294	S	S	.	.			trans	-75.3	138.5	172.1	-63.1	178	153.1	0	0	110.9	G40 E41 F110 K113	G40-E44 WeakPolarHBondContact CA-O 3.35Å; G40-E44 PolarHBondContact N-O 2.63Å; E41-E44 WeakPolarHBondContact O-CB 3.17Å; E41-E44 PolarHBondContact O-N 2.94Å; E44-F110 WeakPolarHBondContact OE2-CD2 3.23Å; E44-K113 WeakPolarHBondContact OE1-CD 3.31Å; E44-K113 WeakPolarHBondContact OE1-CE 3.34Å; E44-K113 IonicContact OE1-NZ 2.69Å; E44-K113 PolarHBondContact OE1-NZ 3.27Å; E44-K113 IonicContact OE2-NZ 2.77Å; E44-K113 PolarHBondContact OE2-NZ 2.87Å
45	G	87.9	Confident	81.5	Confident	11 Å²	11	49.9 Å²	49.9	11%	0.113	29%	0.293	C	S	.	.			trans	-60.2	163.9	-176.9	0	0	0	0	0	114.5	G39 F47	G39-G45 WeakPolarHBondContact CA-O 3.44Å; G45-F47 WeakPolarHBondContact O-CD2 3.37Å; G45-F47 VanDerWaalsContact O-CE2 3.27Å; G45-F47 WeakPolarHBondContact O-CE2 3.4Å
46	I	93.5	Very high	81.3	Confident	1 Å²	1	50 Å²	50	1%	0.005	30%	0.296	C	S	.	.			trans	-87.9	112.1	-179.6	-58.6	-67.3	0	0	0	109.4	I37 V38 E68 I69 A85	I37-I46 HydrophobicContact CB-CG2 3.96Å; I37-I46 HydrophobicContact CD1-CG2 3.95Å; I37-I46 HydrophobicContact CG2-CG2 4.05Å; V38-I46 CarbonylContact O-C 3.58Å; V38-I46 WeakPolarHBondContact O-CA 3.27Å; I46-E68 CarbonylContact O-C 3.53Å; I46-E68 WeakPolarHBondContact O-CA 3.45Å; I46-I69 HydrophobicContact CG2-CB 4.31Å; I46-I69 HydrophobicContact CG2-CD1 4.44Å; I46-I69 PolarHBondContact O-N 2.89Å; I46-A85 HydrophobicContact CB-CB 4.44Å; I46-A85 HydrophobicContact CD1-CB 3.66Å; I46-A85 HydrophobicContact CG1-CB 3.73Å; I46-A85 HydrophobicContact CG2-CB 3.95Å
47	F	92.7	Very high	81.3	Confident	7 Å²	7	45.6 Å²	45.6	3%	0.031	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	144.5	-176.1	-62.6	-86.3	0	0	0	113.7	I37 V38 G45 S49 D67 E68 K103 E106 Y107	I37-F47 CarbonylContact C-O 3.6Å; I37-F47 VanDerWaalsContact CA-O 3.26Å; I37-F47 WeakPolarHBondContact CA-O 3.42Å; V38-F47 HydrophobicContact CG2-CB 4.22Å; V38-F47 PolarHBondContact N-O 3.47Å; V38-F47 PolarHBondContact O-N 3.47Å; G45-F47 WeakPolarHBondContact O-CD2 3.37Å; G45-F47 VanDerWaalsContact O-CE2 3.27Å; G45-F47 WeakPolarHBondContact O-CE2 3.4Å; F47-S49 PolarHBondContact O-N 3.46Å; F47-D67 CarbonylContact C-O 3.6Å; F47-D67 VanDerWaalsContact CA-O 3.28Å; F47-D67 WeakPolarHBondContact CA-O 3.36Å; F47-E68 HydrophobicContact CD1-CB 3.86Å; F47-E68 HydrophobicContact CD1-CG 4.35Å; F47-E68 HydrophobicContact CE1-CB 3.68Å; F47-E68 HydrophobicContact CE1-CG 4.06Å; F47-E68 HydrophobicContact CZ-CB 4.43Å; F47-E68 HydrophobicContact CZ-CG 4.34Å; F47-K103 HydrophobicContact CE1-CB 4.18Å; F47-K103 HydrophobicContact CE1-CD 4.45Å; F47-E106 HydrophobicContact CE1-CB 4.18Å; F47-E106 HydrophobicContact CZ-CB 3.95Å; F47-Y107 HydrophobicContact CB-CD2 3.49Å; F47-Y107 VanDerWaalsContact CB-CD2 3.49Å; F47-Y107 HydrophobicContact CB-CE2 3.99Å; F47-Y107 HydrophobicContact CD1-CD2 4.15Å; F47-Y107 AromaticContact CG-CD2 3.83Å; F47-Y107 HydrophobicContact CG-CD2 3.83Å
48	V	89.4	Confident	80.7	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	109.6	170.7	-179.9	0	0	0	0	109.6	F35 N36 I51 L63 R65 G66 D67 I69	F35-V48 HydrophobicContact CB-CG1 4.3Å; F35-V48 HydrophobicContact CD2-CG1 4.31Å; F35-V48 HydrophobicContact CD2-CG2 4.23Å; F35-V48 HydrophobicContact CE2-CG2 4.46Å; N36-V48 WeakPolarHBondContact O-CA 3.41Å; V48-I51 HydrophobicContact CG1-CD1 4.19Å; V48-I51 HydrophobicContact CG1-CG1 3.87Å; V48-L63 HydrophobicContact CG1-CD2 4.29Å; V48-L63 HydrophobicContact CG2-CD1 4.15Å; V48-L63 HydrophobicContact CG2-CD2 3.96Å; V48-L63 HydrophobicContact CG2-CG 4.07Å; V48-R65 WeakPolarHBondContact O-CA 3.26Å; V48-G66 PolarHBondContact O-N 3.02Å; V48-D67 HydrophobicContact CB-CB 4.35Å; V48-D67 HydrophobicContact CG2-CB 4.02Å; V48-D67 PolarHBondContact N-O 3.3Å; V48-I69 HydrophobicContact CG2-CD1 3.95Å; V48-I69 HydrophobicContact CG2-CG1 3.95Å
49	S	83	Confident	80.4	Confident	22 Å²	22	51.9 Å²	51.9	15%	0.154	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	-30.9	-176.8	57.3	0	0	0	0	114.1	N36 F47 R65 Y107	N36-S49 WeakPolarHBondContact CB-OG 3.33Å; N36-S49 PolarHBondContact O-N 3.25Å; N36-S49 PolarHBondContact O-OG 3.45Å; F47-S49 PolarHBondContact O-N 3.46Å; S49-R65 VanDerWaalsContact O-CD 3.31Å; S49-R65 WeakPolarHBondContact O-CD 3.46Å; S49-R65 WeakPolarHBondContact O-CG 3.23Å; S49-R65 PolarHBondContact O-NE 3.3Å; S49-Y107 WeakPolarHBondContact CA-OH 3.2Å
50	F	81.6	Confident	80.3	Confident	105 Å²	105	53.7 Å²	53.7	46%	0.461	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	147.4	-175.1	174.8	-99.8	0	0	0	110.2	F35 N36 L52	F35-F50 CarbonylContact C-O 3.58Å; F35-F50 VanDerWaalsContact CA-O 3.26Å; F35-F50 WeakPolarHBondContact CA-O 3.17Å; F35-F50 WeakPolarHBondContact CB-O 3.45Å; N36-F50 HydrophobicContact CB-CB 4.2Å; N36-F50 PolarHBondContact N-O 3.34Å; F50-L52 HydrophobicContact CE1-CB 4.11Å; F50-L52 HydrophobicContact CE1-CD1 4.29Å
51	I	76	Confident	80.2	Confident	27 Å²	27	55.6 Å²	55.6	14%	0.138	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	131.6	172.7	-66.7	178.2	0	0	0	107.9	F35 V48 L53 A57 D58 L63	F35-I51 HydrophobicContact CB-CG1 3.99Å; V48-I51 HydrophobicContact CG1-CD1 4.19Å; V48-I51 HydrophobicContact CG1-CG1 3.87Å; I51-L53 PolarHBondContact O-N 3.18Å; I51-A57 HydrophobicContact CG2-CB 4.28Å; I51-D58 HydrophobicContact CG2-CB 3.78Å; I51-L63 VanDerWaalsContact CD1-C 3.41Å; I51-L63 HydrophobicContact CD1-CB 4.19Å; I51-L63 HydrophobicContact CD1-CG 4.34Å; I51-L63 WeakPolarHBondContact CD1-O 3.09Å
52	L	71.9	Confident	80.6	Confident	77 Å²	77	54 Å²	54	40%	0.403	33%	0.327	S	S	.	.			trans	-81.6	113	-179.1	179.6	66.3	0	0	0	109.3	G34 F50 G54 G55 D58	G34-L52 WeakPolarHBondContact O-CB 3.44Å; G34-L52 PolarHBondContact O-N 2.93Å; F50-L52 HydrophobicContact CE1-CB 4.11Å; F50-L52 HydrophobicContact CE1-CD1 4.29Å; L52-G54 PolarHBondContact O-N 3.09Å; L52-G55 WeakPolarHBondContact O-CA 3.49Å; L52-G55 PolarHBondContact O-N 2.94Å; L52-D58 WeakPolarHBondContact O-CB 3.48Å
53	L	64.2	Low	81.3	Confident	141 Å²	141	47.1 Å²	47.1	74%	0.738	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	130.7	175.7	-66.6	168.5	0	0	0	111.2	I51 G55 D58	I51-L53 PolarHBondContact O-N 3.18Å; L53-G55 PolarHBondContact O-N 3.47Å; L53-D58 WeakPolarHBondContact CA-OD2 3.44Å
54	G	69.5	Low	82.1	Confident	52 Å²	52	49.5 Å²	49.5	54%	0.536	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.9	1.1	-173.1	0	0	0	0	0	115.4	L52 D58 L59	L52-G54 PolarHBondContact O-N 3.09Å; G54-D58 PolarHBondContact N-OD2 3.39Å; G54-L59 WeakPolarHBondContact O-CD1 3.36Å
55	G	77.6	Confident	82.3	Confident	4 Å²	4	52.8 Å²	52.8	4%	0.041	29%	0.289	C	S	.	.	S	Bend	trans	-82.7	166.6	172	0	0	0	0	0	112.8	L52 L53 A57 D58 L59	L52-G55 WeakPolarHBondContact O-CA 3.49Å; L52-G55 PolarHBondContact O-N 2.94Å; L53-G55 PolarHBondContact O-N 3.47Å; G55-A57 VanDerWaalsContact C-N 3.31Å; G55-A57 PolarHBondContact O-N 3.28Å; G55-D58 WeakPolarHBondContact O-CB 3.29Å; G55-D58 PolarHBondContact O-N 2.68Å; G55-L59 WeakPolarHBondContact O-CG 3.48Å; G55-L59 PolarHBondContact O-N 2.85Å
56	P	85.4	Confident	82.1	Confident	25 Å²	25	52.3 Å²	52.3	16%	0.162	28%	0.284	C	S	.	.	H	α-helix	trans	-56.9	-36.2	-174.7	-28.5	35.9	0	0	0	115.6	H27 S60	H27-P56 VanDerWaalsContact O-CB 3.22Å; H27-P56 WeakPolarHBondContact O-CB 3.49Å; H27-P56 WeakPolarHBondContact O-CG 3.5Å; P56-S60 PolarHBondContact O-N 2.91Å; P56-S60 VanDerWaalsContact O-N 3.16Å
57	A	86.7	Confident	82	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-73.6	-22.1	175.9	0	0	0	0	0	114.7	L26 L33 F35 I51 G55 S60 L63	L26-A57 HydrophobicContact CD1-CB 3.88Å; L33-A57 WeakPolarHBondContact O-CB 3.41Å; L33-A57 PolarHBondContact O-N 2.93Å; L33-A57 VanDerWaalsContact O-N 3.1Å; F35-A57 HydrophobicContact CB-CB 4.2Å; F35-A57 HydrophobicContact CD1-CB 3.81Å; F35-A57 HydrophobicContact CG-CB 4.44Å; I51-A57 HydrophobicContact CG2-CB 4.28Å; G55-A57 VanDerWaalsContact C-N 3.31Å; G55-A57 PolarHBondContact O-N 3.28Å; A57-S60 PolarHBondContact O-OG 3.12Å; A57-L63 HydrophobicContact CB-CB 4.36Å; A57-L63 HydrophobicContact CB-CD2 4.01Å
58	D	79.4	Confident	82.1	Confident	61 Å²	61	52.6 Å²	52.6	33%	0.326	29%	0.285	S	S	.	.	H	α-helix	trans	-80.9	-44.7	172.5	-173.2	61.2	0	0	0	110.2	I51 L52 L53 G54 G55 S60 G61	I51-D58 HydrophobicContact CG2-CB 3.78Å; L52-D58 WeakPolarHBondContact O-CB 3.48Å; L53-D58 WeakPolarHBondContact CA-OD2 3.44Å; G54-D58 PolarHBondContact N-OD2 3.39Å; G55-D58 WeakPolarHBondContact O-CB 3.29Å; G55-D58 PolarHBondContact O-N 2.68Å; D58-S60 VanDerWaalsContact C-N 3.27Å; D58-S60 PolarHBondContact O-N 2.69Å; D58-G61 PolarHBondContact O-N 3.16Å
59	L	78.1	Confident	82.4	Confident	134 Å²	134	52.6 Å²	52.6	70%	0.702	29%	0.285	S	S	*	.	H	α-helix	trans	-66.4	-22.7	179.7	-66.9	174.3	0	0	0	114	G54 G55	G54-L59 WeakPolarHBondContact O-CD1 3.36Å; G55-L59 WeakPolarHBondContact O-CG 3.48Å; G55-L59 PolarHBondContact O-N 2.85Å
60	S	84.6	Confident	82.9	Confident	44 Å²	44	51.8 Å²	51.8	31%	0.308	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-28.6	169.5	70.9	0	0	0	0	112.9	L26 P56 A57 D58 E62	L26-S60 WeakPolarHBondContact CD2-OG 3.46Å; P56-S60 PolarHBondContact O-N 2.91Å; P56-S60 VanDerWaalsContact O-N 3.16Å; A57-S60 PolarHBondContact O-OG 3.12Å; D58-S60 VanDerWaalsContact C-N 3.27Å; D58-S60 PolarHBondContact O-N 2.69Å; S60-E62 PolarHBondContact O-N 3.11Å; S60-E62 PolarHBondContact OG-N 3.19Å
61	G	81.7	Confident	83.6	Confident	53 Å²	53	47.8 Å²	47.8	55%	0.546	26%	0.264	S	S	.	.			trans	64.6	-3	-172.8	0	0	0	0	0	115.4	D58	D58-G61 PolarHBondContact O-N 3.16Å
62	E	84.6	Confident	84.5	Confident	93 Å²	93	46.5 Å²	46.5	44%	0.435	26%	0.257	S	S	.	.			trans	-81.7	-26.4	-173.5	-73.2	-179.8	176	0	0	113.1	R22 V24 S60	R22-E62 VanDerWaalsContact CZ-O 3.26Å; R22-E62 PolarHBondContact NE-O 3.48Å; R22-E62 PolarHBondContact NH2-O 3.07Å; V24-E62 WeakPolarHBondContact CA-OE2 3.12Å; V24-E62 HydrophobicContact CB-CB 4.41Å; V24-E62 HydrophobicContact CG1-CB 3.79Å; V24-E62 WeakPolarHBondContact CG1-OE2 3.38Å; V24-E62 HydrophobicContact CG2-CB 3.95Å; S60-E62 PolarHBondContact O-N 3.11Å; S60-E62 PolarHBondContact OG-N 3.19Å
63	L	87.5	Confident	85.4	Confident	6 Å²	6	46.4 Å²	46.4	3%	0.031	26%	0.257	C	S	.	.			trans	-100.1	145.2	177.6	-159.7	74.4	0	0	0	110.1	F35 V48 I51 A57 D67 A100	F35-L63 HydrophobicContact CB-CD2 4.12Å; F35-L63 HydrophobicContact CD1-CD2 3.54Å; F35-L63 HydrophobicContact CD2-CD2 3.99Å; F35-L63 HydrophobicContact CE1-CD2 3.82Å; F35-L63 HydrophobicContact CE2-CD2 4.27Å; F35-L63 HydrophobicContact CG-CD2 3.62Å; F35-L63 HydrophobicContact CZ-CD2 4.18Å; V48-L63 HydrophobicContact CG1-CD2 4.29Å; V48-L63 HydrophobicContact CG2-CD1 4.15Å; V48-L63 HydrophobicContact CG2-CD2 3.96Å; V48-L63 HydrophobicContact CG2-CG 4.07Å; I51-L63 VanDerWaalsContact CD1-C 3.41Å; I51-L63 HydrophobicContact CD1-CB 4.19Å; I51-L63 HydrophobicContact CD1-CG 4.34Å; I51-L63 WeakPolarHBondContact CD1-O 3.09Å; A57-L63 HydrophobicContact CB-CB 4.36Å; A57-L63 HydrophobicContact CB-CD2 4.01Å; L63-D67 HydrophobicContact CD1-CB 4.49Å; L63-A100 HydrophobicContact CD1-CB 3.88Å
64	R	86.3	Confident	86.5	Confident	119 Å²	119	43 Å²	43	45%	0.449	26%	0.256	S	S	.	.			trans	-141.9	152.3	-174.4	-50.4	-170.9	85.5	-174.7	4.6	111.4	G66 D67	R64-G66 PolarHBondContact O-N 3.2Å; R64-D67 PolarHBondContact N-OD2 3.41Å; R64-D67 WeakPolarHBondContact O-CB 3.43Å; R64-D67 PolarHBondContact O-N 3.37Å; R64-D67 VanDerWaalsContact O-N 3.13Å
65	R	86.1	Confident	87.5	Confident	127 Å²	127	45 Å²	45	48%	0.479	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	129.3	171.2	-179.1	178.4	-169.5	-140.1	-5.7	109.6	V48 S49 Y102 Y107 E111	V48-R65 WeakPolarHBondContact O-CA 3.26Å; S49-R65 VanDerWaalsContact O-CD 3.31Å; S49-R65 WeakPolarHBondContact O-CD 3.46Å; S49-R65 WeakPolarHBondContact O-CG 3.23Å; S49-R65 PolarHBondContact O-NE 3.3Å; R65-Y102 WeakPolarHBondContact O-CE2 3.46Å; R65-Y107 HydrophobicContact CG-CE1 3.94Å; R65-Y107 PolarHBondContact NE-OH 3.47Å; R65-Y107 VanDerWaalsContact NE-OH 3.14Å; R65-Y107 PolarHBondContact NH2-OH 2.92Å; R65-E111 IonicContact CZ-OE1 2.78Å; R65-E111 IonicContact CZ-OE2 3.64Å; R65-E111 IonicContact NH1-OE1 3.8Å; R65-E111 IonicContact NH1-OE2 2.71Å; R65-E111 IonicContact NH2-OE1 2.76Å; R65-E111 PolarHBondContact NH2-OE1 3.04Å; R65-E111 IonicContact NH2-OE2 3.2Å; R65-E111 PolarHBondContact NH2-OE2 3.38Å
66	G	84.3	Confident	88.2	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.01	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.6	10.1	-175.4	0	0	0	0	0	115.2	V48 R64 K103	V48-G66 PolarHBondContact O-N 3.02Å; R64-G66 PolarHBondContact O-N 3.2Å; G66-K103 CarbonylContact O-C 3.5Å; G66-K103 PolarHBondContact O-N 3.28Å
67	D	92.4	Very high	88.6	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	134.7	158.1	-75.4	-38	0	0	0	110.9	R22 F47 V48 L63 R64 A100 Q101 Y102	R22-D67 IonicContact CZ-OD1 2.69Å; R22-D67 VanDerWaalsContact CZ-OD1 3.3Å; R22-D67 IonicContact CZ-OD2 3.15Å; R22-D67 IonicContact NH1-OD1 2.75Å; R22-D67 PolarHBondContact NH1-OD1 3.4Å; R22-D67 IonicContact NH1-OD2 3.47Å; R22-D67 IonicContact NH2-OD1 2.78Å; R22-D67 PolarHBondContact NH2-OD1 3.42Å; R22-D67 IonicContact NH2-OD2 2.7Å; R22-D67 PolarHBondContact NH2-OD2 3.22Å; F47-D67 CarbonylContact C-O 3.6Å; F47-D67 VanDerWaalsContact CA-O 3.28Å; F47-D67 WeakPolarHBondContact CA-O 3.36Å; V48-D67 HydrophobicContact CB-CB 4.35Å; V48-D67 HydrophobicContact CG2-CB 4.02Å; V48-D67 PolarHBondContact N-O 3.3Å; L63-D67 HydrophobicContact CD1-CB 4.49Å; R64-D67 PolarHBondContact N-OD2 3.41Å; R64-D67 WeakPolarHBondContact O-CB 3.43Å; R64-D67 PolarHBondContact O-N 3.37Å; R64-D67 VanDerWaalsContact O-N 3.13Å; D67-A100 HydrophobicContact CB-CB 4.21Å; D67-Q101 CarbonylContact C-O 3.58Å; D67-Q101 WeakPolarHBondContact CA-O 3.43Å; D67-Y102 VanDerWaalsContact OD1-CA 3.27Å; D67-Y102 WeakPolarHBondContact OD1-CA 3.43Å; D67-Y102 WeakPolarHBondContact OD1-CB 3.27Å; D67-Y102 PolarHBondContact OD1-N 3.46Å
68	E	93.9	Very high	88.7	Confident	14 Å²	14	55.5 Å²	55.5	7%	0.065	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	134.8	158.7	-169.1	-174.2	-172.8	0	0	109.4	I46 F47 L70 A100 Q101 K103	I46-E68 CarbonylContact O-C 3.53Å; I46-E68 WeakPolarHBondContact O-CA 3.45Å; F47-E68 HydrophobicContact CD1-CB 3.86Å; F47-E68 HydrophobicContact CD1-CG 4.35Å; F47-E68 HydrophobicContact CE1-CB 3.68Å; F47-E68 HydrophobicContact CE1-CG 4.06Å; F47-E68 HydrophobicContact CZ-CB 4.43Å; F47-E68 HydrophobicContact CZ-CG 4.34Å; E68-L70 HydrophobicContact CB-CD2 4.34Å; E68-L70 HydrophobicContact CG-CD2 3.92Å; E68-L70 WeakPolarHBondContact OE2-CD2 3.25Å; E68-A100 CarbonylContact O-C 3.59Å; E68-A100 VanDerWaalsContact O-CA 3.24Å; E68-A100 WeakPolarHBondContact O-CA 3.43Å; E68-Q101 PolarHBondContact N-O 2.86Å; E68-Q101 PolarHBondContact O-N 3.12Å; E68-K103 HydrophobicContact CB-CD 4.02Å; E68-K103 VanDerWaalsContact OE2-CD 3.23Å; E68-K103 WeakPolarHBondContact OE2-CD 3.22Å; E68-K103 WeakPolarHBondContact OE2-CE 3.24Å; E68-K103 IonicContact OE2-NZ 2.73Å; E68-K103 PolarHBondContact OE2-NZ 2.98Å
69	I	94.9	Very high	88.9	Confident	0 Å²	0	56 Å²	56	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	107.3	173.8	-57.8	-178.9	0	0	0	108.6	F35 I37 I46 V48 V72 L77 L89 I98	F35-I69 HydrophobicContact CE2-CD1 3.62Å; F35-I69 HydrophobicContact CZ-CD1 4.12Å; I37-I69 HydrophobicContact CG2-CD1 3.63Å; I46-I69 HydrophobicContact CG2-CB 4.31Å; I46-I69 HydrophobicContact CG2-CD1 4.44Å; I46-I69 PolarHBondContact O-N 2.89Å; V48-I69 HydrophobicContact CG2-CD1 3.95Å; V48-I69 HydrophobicContact CG2-CG1 3.95Å; I69-V72 HydrophobicContact CG2-CG2 3.82Å; I69-L77 HydrophobicContact CG2-CD1 3.97Å; I69-L89 HydrophobicContact CD1-CD1 4.4Å; I69-I98 HydrophobicContact CG1-CG2 4.4Å; I69-I98 HydrophobicContact CG2-CG2 3.73Å
70	L	94.6	Very high	89.4	Confident	4 Å²	4	50.2 Å²	50.2	2%	0.021	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	-33.1	-178.4	-54.2	-178.7	0	0	0	112.2	P21 E68 D76 L77 R78 V99 Q101	P21-L70 HydrophobicContact CB-CD1 3.9Å; P21-L70 HydrophobicContact CG-CD1 3.87Å; E68-L70 HydrophobicContact CB-CD2 4.34Å; E68-L70 HydrophobicContact CG-CD2 3.92Å; E68-L70 WeakPolarHBondContact OE2-CD2 3.25Å; L70-D76 VanDerWaalsContact O-OD1 3.1Å; L70-L77 PolarHBondContact O-N 2.72Å; L70-R78 HydrophobicContact CB-CG 4.25Å; L70-R78 HydrophobicContact CD2-CG 3.88Å; L70-V99 HydrophobicContact CB-CG1 4.33Å; L70-V99 HydrophobicContact CD1-CG1 4.43Å; L70-V99 PolarHBondContact N-O 3.47Å; L70-Q101 HydrophobicContact CD1-CB 3.92Å; L70-Q101 HydrophobicContact CG-CB 4.35Å
71	S	95.3	Very high	89.7	Confident	21 Å²	21	50.5 Å²	50.5	15%	0.147	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	159.7	173.2	71.9	0	0	0	0	113.8	I75 I98 V99	S71-I75 CarbonylContact C-O 3.5Å; S71-I75 WeakPolarHBondContact CA-O 3.29Å; S71-I75 WeakPolarHBondContact CB-O 3.46Å; S71-I98 WeakPolarHBondContact O-CA 3.39Å; S71-V99 PolarHBondContact N-O 2.96Å; S71-V99 PolarHBondContact O-N 3Å; S71-V99 WeakPolarHBondContact OG-CB 3.24Å; S71-V99 VanDerWaalsContact OG-CG2 3.27Å; S71-V99 WeakPolarHBondContact OG-CG2 3.48Å
72	V	95.3	Very high	90	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.006	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	120.2	177.7	172	0	0	0	0	109.5	I69 G74 I75 L77 A88 L89 A92 V96 T97 I98	I69-V72 HydrophobicContact CG2-CG2 3.82Å; V72-G74 PolarHBondContact O-N 2.86Å; V72-G74 VanDerWaalsContact O-N 3.1Å; V72-I75 PolarHBondContact N-O 3.42Å; V72-I75 VanDerWaalsContact O-CB 3.31Å; V72-I75 WeakPolarHBondContact O-CB 3.39Å; V72-I75 PolarHBondContact O-N 3.05Å; V72-L77 HydrophobicContact CB-CD1 4.11Å; V72-L77 HydrophobicContact CG2-CD1 3.56Å; V72-A88 HydrophobicContact CB-CB 4.44Å; V72-A88 HydrophobicContact CG1-CB 4.45Å; V72-L89 HydrophobicContact CB-CD2 4.45Å; V72-L89 HydrophobicContact CG1-CD2 4.02Å; V72-L89 HydrophobicContact CG2-CD2 3.53Å; V72-L89 HydrophobicContact CG2-CG 4.06Å; V72-A92 HydrophobicContact CG1-CB 3.9Å; V72-V96 HydrophobicContact CG1-CG1 3.8Å; V72-T97 CarbonylContact C-O 3.59Å; V72-T97 WeakPolarHBondContact CA-O 3.5Å; V72-I98 HydrophobicContact CG2-CG2 4.49Å
73	N	91.7	Very high	90.3	Very high	74 Å²	74	52.9 Å²	52.9	40%	0.396	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.1	33	-173.7	-71.2	9.9	0	0	0	113.8	A92 V96 T97	N73-A92 PolarHBondContact ND2-O 2.99Å; N73-V96 WeakPolarHBondContact OD1-CA 3.45Å; N73-T97 PolarHBondContact N-O 3.37Å; N73-T97 PolarHBondContact OD1-N 3.29Å; N73-T97 PolarHBondContact OD1-O 3.48Å
74	G	86.7	Confident	90.3	Very high	70 Å²	70	57.7 Å²	57.7	72%	0.722	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.9	-2.8	-177.5	0	0	0	0	0	115.5	V72	V72-G74 PolarHBondContact O-N 2.86Å; V72-G74 VanDerWaalsContact O-N 3.1Å
75	I	91.6	Very high	90.5	Very high	95 Å²	95	52 Å²	52	49%	0.487	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	115.5	169.9	-53.9	173.1	0	0	0	108.1	S71 V72 L77 A88	S71-I75 CarbonylContact C-O 3.5Å; S71-I75 WeakPolarHBondContact CA-O 3.29Å; S71-I75 WeakPolarHBondContact CB-O 3.46Å; V72-I75 PolarHBondContact N-O 3.42Å; V72-I75 VanDerWaalsContact O-CB 3.31Å; V72-I75 WeakPolarHBondContact O-CB 3.39Å; V72-I75 PolarHBondContact O-N 3.05Å; I75-L77 HydrophobicContact CG2-CD2 4.35Å; I75-A88 HydrophobicContact CD1-CB 4.32Å
76	D	92	Very high	90.7	Very high	98 Å²	98	46.8 Å²	46.8	52%	0.524	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	135.4	174.5	-167.5	-14.7	0	0	0	110.6	L70 R78	L70-D76 VanDerWaalsContact O-OD1 3.1Å; D76-R78 VanDerWaalsContact OD1-CB 3.31Å; D76-R78 WeakPolarHBondContact OD1-CB 3.12Å; D76-R78 WeakPolarHBondContact OD1-CD 3.5Å; D76-R78 VanDerWaalsContact OD1-CG 3.23Å; D76-R78 WeakPolarHBondContact OD1-CG 3.05Å; D76-R78 PolarHBondContact OD1-N 3.22Å
77	L	92.9	Very high	91	Very high	4 Å²	4	49.6 Å²	49.6	2%	0.021	29%	0.292	C	S	.	.			trans	-121.5	2.4	-178.8	-64.2	-177.3	0	0	0	113.8	I69 L70 V72 I75 G79 A80 A85 A88	I69-L77 HydrophobicContact CG2-CD1 3.97Å; L70-L77 PolarHBondContact O-N 2.72Å; V72-L77 HydrophobicContact CB-CD1 4.11Å; V72-L77 HydrophobicContact CG2-CD1 3.56Å; I75-L77 HydrophobicContact CG2-CD2 4.35Å; L77-G79 PolarHBondContact O-N 2.79Å; L77-A80 HydrophobicContact CB-CB 4.18Å; L77-A80 HydrophobicContact CD2-CB 3.63Å; L77-A80 PolarHBondContact O-N 3.17Å; L77-A85 HydrophobicContact CD1-CB 4Å; L77-A85 HydrophobicContact CD2-CB 4.22Å; L77-A88 HydrophobicContact CD2-CB 4.26Å
78	R	88.4	Confident	90.9	Very high	147 Å²	147	50.2 Å²	50.2	56%	0.555	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-14.9	-177.1	-70.9	167.2	171.3	171.1	-3.8	115.9	L70 D76	L70-R78 HydrophobicContact CB-CG 4.25Å; L70-R78 HydrophobicContact CD2-CG 3.88Å; D76-R78 VanDerWaalsContact OD1-CB 3.31Å; D76-R78 WeakPolarHBondContact OD1-CB 3.12Å; D76-R78 WeakPolarHBondContact OD1-CD 3.5Å; D76-R78 VanDerWaalsContact OD1-CG 3.23Å; D76-R78 WeakPolarHBondContact OD1-CG 3.05Å; D76-R78 PolarHBondContact OD1-N 3.22Å
79	G	84.3	Confident	90.7	Very high	72 Å²	72	50.3 Å²	50.3	74%	0.742	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-141.6	25.5	173.3	0	0	0	0	0	112.3	L77	L77-G79 PolarHBondContact O-N 2.79Å
80	A	88.2	Confident	90.3	Very high	12 Å²	12	58.2 Å²	58.2	10%	0.099	33%	0.333	C	S	.	.			trans	-83.6	148.2	178.3	0	0	0	0	0	111	L77 Q84	L77-A80 HydrophobicContact CB-CB 4.18Å; L77-A80 HydrophobicContact CD2-CB 3.63Å; L77-A80 PolarHBondContact O-N 3.17Å; A80-Q84 HydrophobicContact CB-CB 4.03Å
81	T	90.5	Very high	89.7	Confident	50 Å²	50	61.2 Å²	61.2	31%	0.307	36%	0.364	S	S	.	.			trans	-71.2	163.8	171.5	81	0	0	0	0	111.2	G40 E83 Q84 A85	G40-T81 WeakPolarHBondContact O-CA 3.3Å; T81-E83 VanDerWaalsContact CB-OE2 3.26Å; T81-E83 WeakPolarHBondContact CB-OE2 3.45Å; T81-E83 PolarHBondContact O-N 2.99Å; T81-E83 PolarHBondContact OG1-N 2.81Å; T81-E83 PolarHBondContact OG1-OE2 2.03Å; T81-Q84 PolarHBondContact O-N 3.43Å; T81-Q84 VanDerWaalsContact O-N 3.09Å; T81-Q84 WeakPolarHBondContact OG1-CG 3.41Å; T81-Q84 PolarHBondContact OG1-N 2.95Å; T81-A85 PolarHBondContact O-N 3.21Å
82	H	88.3	Confident	89	Confident	68 Å²	68	60.9 Å²	60.9	32%	0.315	36%	0.363	S	S	.	.	H	α-helix	trans	-52	-43.5	176	-171.7	82.9	0	0	0	112.6	I37 G39 A86	I37-H82 PolarHBondContact O-CE1 2.87Å; G39-H82 WeakPolarHBondContact O-CB 3.41Å; G39-H82 PolarHBondContact O-ND1 3.32Å; H82-A86 VanDerWaalsContact O-CB 3.24Å; H82-A86 WeakPolarHBondContact O-CB 3.43Å; H82-A86 PolarHBondContact O-N 3.13Å
83	E	90.3	Very high	88.4	Confident	127 Å²	127	63 Å²	63	59%	0.593	39%	0.385	S	S	*	.	H	α-helix	trans	-66.9	-39.7	180	-55.5	68.3	-145.9	0	0	111.5	T81 A86 A87	T81-E83 VanDerWaalsContact CB-OE2 3.26Å; T81-E83 WeakPolarHBondContact CB-OE2 3.45Å; T81-E83 PolarHBondContact O-N 2.99Å; T81-E83 PolarHBondContact OG1-N 2.81Å; T81-E83 PolarHBondContact OG1-OE2 2.03Å; E83-A86 PolarHBondContact O-N 3.3Å; E83-A87 WeakPolarHBondContact O-CB 3.46Å; E83-A87 PolarHBondContact O-N 2.87Å
84	Q	89	Confident	88.2	Confident	108 Å²	108	65.3 Å²	65.3	51%	0.505	39%	0.393	S	S	.	.	H	α-helix	trans	-66.5	-45.2	179.1	-68.8	171.7	-7.1	0	0	110.9	A80 T81 A87 A88	A80-Q84 HydrophobicContact CB-CB 4.03Å; T81-Q84 PolarHBondContact O-N 3.43Å; T81-Q84 VanDerWaalsContact O-N 3.09Å; T81-Q84 WeakPolarHBondContact OG1-CG 3.41Å; T81-Q84 PolarHBondContact OG1-N 2.95Å; Q84-A87 PolarHBondContact O-N 2.92Å; Q84-A88 WeakPolarHBondContact O-CB 3.3Å; Q84-A88 PolarHBondContact O-N 2.79Å
85	A	90.6	Very high	88.4	Confident	0 Å²	0	65 Å²	65	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-64.6	-43.4	174.9	0	0	0	0	0	112.4	I37 I46 L77 T81 A87 A88 L89	I37-A85 HydrophobicContact CD1-CB 3.82Å; I46-A85 HydrophobicContact CB-CB 4.44Å; I46-A85 HydrophobicContact CD1-CB 3.66Å; I46-A85 HydrophobicContact CG1-CB 3.73Å; I46-A85 HydrophobicContact CG2-CB 3.95Å; L77-A85 HydrophobicContact CD1-CB 4Å; L77-A85 HydrophobicContact CD2-CB 4.22Å; T81-A85 PolarHBondContact O-N 3.21Å; A85-A87 VanDerWaalsContact C-N 3.33Å; A85-A87 PolarHBondContact O-N 2.89Å; A85-A88 PolarHBondContact O-N 3.24Å; A85-L89 WeakPolarHBondContact O-CG 3.35Å; A85-L89 PolarHBondContact O-N 2.9Å
86	A	89.8	Confident	88.5	Confident	17 Å²	17	60.5 Å²	60.5	14%	0.14	35%	0.354	C	S	.	.	H	α-helix	trans	-63.3	-38	174.9	0	0	0	0	0	112.2	I37 H82 E83 K90	I37-A86 HydrophobicContact CD1-CB 4.34Å; H82-A86 VanDerWaalsContact O-CB 3.24Å; H82-A86 WeakPolarHBondContact O-CB 3.43Å; H82-A86 PolarHBondContact O-N 3.13Å; E83-A86 PolarHBondContact O-N 3.3Å; A86-K90 VanDerWaalsContact O-CB 3.32Å; A86-K90 WeakPolarHBondContact O-CB 3.36Å; A86-K90 WeakPolarHBondContact O-CD 3.49Å; A86-K90 WeakPolarHBondContact O-CG 3.38Å; A86-K90 PolarHBondContact O-N 2.92Å
87	A	89.6	Confident	88.6	Confident	60 Å²	60	58.4 Å²	58.4	50%	0.496	35%	0.345	S	S	.	.	H	α-helix	trans	-67.2	-43.3	175.4	0	0	0	0	0	111.8	E83 Q84 A85 K90 G91	E83-A87 WeakPolarHBondContact O-CB 3.46Å; E83-A87 PolarHBondContact O-N 2.87Å; Q84-A87 PolarHBondContact O-N 2.92Å; A85-A87 VanDerWaalsContact C-N 3.33Å; A85-A87 PolarHBondContact O-N 2.89Å; A87-K90 PolarHBondContact O-N 3.41Å; A87-G91 PolarHBondContact O-N 3.39Å
88	A	90.6	Very high	88.7	Confident	13 Å²	13	58.2 Å²	58.2	11%	0.107	34%	0.344	C	S	.	.	H	α-helix	trans	-59.2	-52.4	175	0	0	0	0	0	111.4	V72 I75 L77 Q84 A85 K90 G91 A92	V72-A88 HydrophobicContact CB-CB 4.44Å; V72-A88 HydrophobicContact CG1-CB 4.45Å; I75-A88 HydrophobicContact CD1-CB 4.32Å; L77-A88 HydrophobicContact CD2-CB 4.26Å; Q84-A88 WeakPolarHBondContact O-CB 3.3Å; Q84-A88 PolarHBondContact O-N 2.79Å; A85-A88 PolarHBondContact O-N 3.24Å; A88-K90 PolarHBondContact O-N 2.77Å; A88-G91 PolarHBondContact O-N 2.82Å; A88-A92 VanDerWaalsContact O-CB 3.23Å; A88-A92 WeakPolarHBondContact O-CB 3.1Å; A88-A92 PolarHBondContact O-N 3.39Å
89	L	89.4	Confident	89	Confident	16 Å²	16	52.8 Å²	52.8	8%	0.084	33%	0.327	C	S	.	.	H	α-helix	trans	-59.7	-42.4	179	-73.5	169.6	0	0	0	112.8	K28 L33 F35 I37 I69 V72 A85 V96 I98	K28-L89 VanDerWaalsContact CE-O 3.25Å; K28-L89 WeakPolarHBondContact CE-O 3.45Å; K28-L89 PolarHBondContact NZ-O 3.23Å; L33-L89 HydrophobicContact CD1-CB 4.5Å; L33-L89 HydrophobicContact CD1-CD2 3.88Å; F35-L89 HydrophobicContact CE2-CD1 3.98Å; F35-L89 HydrophobicContact CZ-CD1 4.03Å; F35-L89 HydrophobicContact CZ-CD2 3.77Å; I37-L89 HydrophobicContact CD1-CD1 4.17Å; I37-L89 HydrophobicContact CG2-CD1 3.89Å; I69-L89 HydrophobicContact CD1-CD1 4.4Å; V72-L89 HydrophobicContact CB-CD2 4.45Å; V72-L89 HydrophobicContact CG1-CD2 4.02Å; V72-L89 HydrophobicContact CG2-CD2 3.53Å; V72-L89 HydrophobicContact CG2-CG 4.06Å; A85-L89 WeakPolarHBondContact O-CG 3.35Å; A85-L89 PolarHBondContact O-N 2.9Å; L89-V96 HydrophobicContact CD2-CG1 4.44Å; L89-I98 HydrophobicContact CD2-CD1 4.17Å
90	K	86.8	Confident	89.5	Confident	166 Å²	166	49.3 Å²	49.3	72%	0.722	29%	0.292	S	S	*	.	H	α-helix	trans	-65.7	-48.5	175.8	-72.7	166.8	-179.1	169	0	111.1	K28 A86 A87 A88 A92	K28-K90 PolarHBondContact NZ-O 3.31Å; A86-K90 VanDerWaalsContact O-CB 3.32Å; A86-K90 WeakPolarHBondContact O-CB 3.36Å; A86-K90 WeakPolarHBondContact O-CD 3.49Å; A86-K90 WeakPolarHBondContact O-CG 3.38Å; A86-K90 PolarHBondContact O-N 2.92Å; A87-K90 PolarHBondContact O-N 3.41Å; A88-K90 PolarHBondContact O-N 2.77Å; K90-A92 PolarHBondContact O-N 2.92Å
91	G	82.1	Confident	89.7	Confident	66 Å²	66	51 Å²	51	68%	0.68	30%	0.297	S	S	*	.	H	α-helix	trans	-71.8	-18.6	-176.9	0	0	0	0	0	115.9	A87 A88 G93	A87-G91 PolarHBondContact O-N 3.39Å; A88-G91 PolarHBondContact O-N 2.82Å; G91-G93 PolarHBondContact O-N 2.91Å
92	A	80.4	Confident	89.6	Confident	14 Å²	14	51.9 Å²	51.9	12%	0.116	30%	0.296	C	S	.	.	S	Bend	trans	-63.1	16.5	-173.3	0	0	0	0	0	117.5	V72 N73 A88 K90 V95 V96	V72-A92 HydrophobicContact CG1-CB 3.9Å; N73-A92 PolarHBondContact ND2-O 2.99Å; A88-A92 VanDerWaalsContact O-CB 3.23Å; A88-A92 WeakPolarHBondContact O-CB 3.1Å; A88-A92 PolarHBondContact O-N 3.39Å; K90-A92 PolarHBondContact O-N 2.92Å; A92-V95 VanDerWaalsContact O-O 3.07Å; A92-V96 HydrophobicContact CB-CB 4.31Å; A92-V96 HydrophobicContact CB-CG1 3.83Å; A92-V96 HydrophobicContact CB-CG2 3.68Å
93	G	83.2	Confident	89.6	Confident	45 Å²	45	50.6 Å²	50.6	46%	0.464	29%	0.289	S	S	.	.			trans	66.7	-161.6	178.1	0	0	0	0	0	113.7	K28 G91	K28-G93 WeakPolarHBondContact CD-O 3.28Å; K28-G93 VanDerWaalsContact CE-O 3.31Å; K28-G93 WeakPolarHBondContact CE-O 3.47Å; K28-G93 PolarHBondContact NZ-O 3.35Å; G91-G93 PolarHBondContact O-N 2.91Å
94	Q	87.8	Confident	89.1	Confident	123 Å²	123	46.7 Å²	46.7	58%	0.575	27%	0.274	S	S	*	.	S	Bend	trans	-79.9	-24.5	-173.4	-177.9	55.8	22.3	0	0	114.1	H27 K28	H27-Q94 WeakPolarHBondContact CA-O 3.35Å; K28-Q94 PolarHBondContact N-O 2.89Å; K28-Q94 PolarHBondContact O-NE2 3.49Å
95	V	90.5	Very high	88.8	Confident	65 Å²	65	46.7 Å²	46.7	39%	0.394	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	126.8	177.2	-173.7	0	0	0	0	107.6	V25 A92	V25-V95 HydrophobicContact CG1-CG1 3.73Å; A92-V95 VanDerWaalsContact O-O 3.07Å
96	V	93.1	Very high	88.3	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	112.5	-172.2	-173.3	0	0	0	0	109.4	L26 K28 L33 V72 N73 L89 A92 I98	L26-V96 PolarHBondContact N-O 2.97Å; L26-V96 PolarHBondContact O-N 2.87Å; K28-V96 HydrophobicContact CG-CG2 4.33Å; L33-V96 HydrophobicContact CD1-CB 4.35Å; L33-V96 HydrophobicContact CD1-CG1 4.19Å; L33-V96 HydrophobicContact CD1-CG2 4.22Å; L33-V96 HydrophobicContact CD2-CB 4.04Å; L33-V96 HydrophobicContact CD2-CG2 3.86Å; V72-V96 HydrophobicContact CG1-CG1 3.8Å; N73-V96 WeakPolarHBondContact OD1-CA 3.45Å; L89-V96 HydrophobicContact CD2-CG1 4.44Å; A92-V96 HydrophobicContact CB-CB 4.31Å; A92-V96 HydrophobicContact CB-CG1 3.83Å; A92-V96 HydrophobicContact CB-CG2 3.68Å; V96-I98 HydrophobicContact CG1-CD1 4.25Å; V96-I98 HydrophobicContact CG1-CG1 3.82Å
97	T	93.8	Very high	88	Confident	53 Å²	53	50.4 Å²	50.4	33%	0.325	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	118.4	173.8	-56.7	0	0	0	0	108.5	T23 V24 V25 V72 N73	T23-T97 HydrophobicContact CG2-CG2 3.43Å; T23-T97 VanDerWaalsContact CG2-CG2 3.43Å; V24-T97 CarbonylContact O-C 3.55Å; V24-T97 WeakPolarHBondContact O-CA 3.34Å; V25-T97 HydrophobicContact CG2-CG2 4.36Å; V72-T97 CarbonylContact C-O 3.59Å; V72-T97 WeakPolarHBondContact CA-O 3.5Å; N73-T97 PolarHBondContact N-O 3.37Å; N73-T97 PolarHBondContact OD1-N 3.29Å; N73-T97 PolarHBondContact OD1-O 3.48Å
98	I	95.6	Very high	87.4	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	129	-176.3	-52.6	-177.8	0	0	0	108.2	T23 V24 L26 F35 I69 S71 V72 L89 V96 A100	T23-I98 CarbonylContact C-O 3.59Å; T23-I98 WeakPolarHBondContact CA-O 3.42Å; V24-I98 HydrophobicContact CB-CB 4.48Å; V24-I98 PolarHBondContact N-O 3.24Å; V24-I98 PolarHBondContact O-N 3.09Å; L26-I98 HydrophobicContact CD1-CD1 3.85Å; L26-I98 HydrophobicContact CG-CD1 4.45Å; F35-I98 HydrophobicContact CE1-CD1 3.74Å; F35-I98 HydrophobicContact CZ-CD1 3.66Å; I69-I98 HydrophobicContact CG1-CG2 4.4Å; I69-I98 HydrophobicContact CG2-CG2 3.73Å; S71-I98 WeakPolarHBondContact O-CA 3.39Å; V72-I98 HydrophobicContact CG2-CG2 4.49Å; L89-I98 HydrophobicContact CD2-CD1 4.17Å; V96-I98 HydrophobicContact CG1-CD1 4.25Å; V96-I98 HydrophobicContact CG1-CG1 3.82Å; I98-A100 HydrophobicContact CG2-CB 4.45Å
99	V	95	Very high	86.8	Confident	33 Å²	33	56.2 Å²	56.2	20%	0.2	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	117.1	165.8	-177.5	0	0	0	0	107.9	P21 R22 L70 S71	P21-V99 HydrophobicContact CB-CG1 4.01Å; R22-V99 WeakPolarHBondContact O-CA 3.18Å; L70-V99 HydrophobicContact CB-CG1 4.33Å; L70-V99 HydrophobicContact CD1-CG1 4.43Å; L70-V99 PolarHBondContact N-O 3.47Å; S71-V99 PolarHBondContact N-O 2.96Å; S71-V99 PolarHBondContact O-N 3Å; S71-V99 WeakPolarHBondContact OG-CB 3.24Å; S71-V99 VanDerWaalsContact OG-CG2 3.27Å; S71-V99 WeakPolarHBondContact OG-CG2 3.48Å
100	A	94.2	Very high	86.2	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	146.5	-174.3	0	0	0	0	0	111.4	P21 R22 L63 D67 E68 I98	P21-A100 WeakPolarHBondContact CA-O 3.37Å; R22-A100 PolarHBondContact N-O 2.85Å; R22-A100 PolarHBondContact O-N 3.29Å; L63-A100 HydrophobicContact CD1-CB 3.88Å; D67-A100 HydrophobicContact CB-CB 4.21Å; E68-A100 CarbonylContact O-C 3.59Å; E68-A100 VanDerWaalsContact O-CA 3.24Å; E68-A100 WeakPolarHBondContact O-CA 3.43Å; I98-A100 HydrophobicContact CG2-CB 4.45Å
101	Q	92.3	Very high	85.7	Confident	46 Å²	46	52.4 Å²	52.4	22%	0.215	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	126.8	178.1	-173.3	179.9	15.2	0	0	110.3	R19 P21 D67 E68 L70 K103	R19-Q101 WeakPolarHBondContact O-CG 3.33Å; R19-Q101 PolarHBondContact O-NE2 3.49Å; P21-Q101 HydrophobicContact CG-CB 4.38Å; P21-Q101 HydrophobicContact CG-CG 4.26Å; D67-Q101 CarbonylContact C-O 3.58Å; D67-Q101 WeakPolarHBondContact CA-O 3.43Å; E68-Q101 PolarHBondContact N-O 2.86Å; E68-Q101 PolarHBondContact O-N 3.12Å; L70-Q101 HydrophobicContact CD1-CB 3.92Å; L70-Q101 HydrophobicContact CG-CB 4.35Å; Q101-K103 HydrophobicContact CG-CG 4.27Å; Q101-K103 PolarHBondContact O-N 2.85Å
102	Y	89.9	Confident	85.2	Confident	70 Å²	70	51.4 Å²	51.4	28%	0.275	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	115	-177.8	-174.2	-124.1	0	0	0	110.8	Y18 R65 D67 P104	Y18-Y102 VanDerWaalsContact O-CB 3.28Å; Y18-Y102 WeakPolarHBondContact O-CB 3.3Å; R65-Y102 WeakPolarHBondContact O-CE2 3.46Å; D67-Y102 VanDerWaalsContact OD1-CA 3.27Å; D67-Y102 WeakPolarHBondContact OD1-CA 3.43Å; D67-Y102 WeakPolarHBondContact OD1-CB 3.27Å; D67-Y102 PolarHBondContact OD1-N 3.46Å; Y102-P104 HydrophobicContact CD1-CG 4.2Å; Y102-P104 HydrophobicContact CE1-CB 4.24Å; Y102-P104 HydrophobicContact CE1-CG 3.68Å; Y102-P104 HydrophobicContact CE2-CB 4.36Å
103	K	87.9	Confident	84.9	Confident	40 Å²	40	54.2 Å²	54.2	17%	0.174	29%	0.285	C	S	.	.			trans	-132.3	64.2	-174.2	-74	-172.8	163.1	-170	0	112.2	F47 G66 E68 Q101 E105 E106 Y107	F47-K103 HydrophobicContact CE1-CB 4.18Å; F47-K103 HydrophobicContact CE1-CD 4.45Å; G66-K103 CarbonylContact O-C 3.5Å; G66-K103 PolarHBondContact O-N 3.28Å; E68-K103 HydrophobicContact CB-CD 4.02Å; E68-K103 VanDerWaalsContact OE2-CD 3.23Å; E68-K103 WeakPolarHBondContact OE2-CD 3.22Å; E68-K103 WeakPolarHBondContact OE2-CE 3.24Å; E68-K103 IonicContact OE2-NZ 2.73Å; E68-K103 PolarHBondContact OE2-NZ 2.98Å; Q101-K103 HydrophobicContact CG-CG 4.27Å; Q101-K103 PolarHBondContact O-N 2.85Å; K103-E105 PolarHBondContact O-N 3.37Å; K103-E105 VanDerWaalsContact O-N 3.16Å; K103-E106 HydrophobicContact CB-CB 4.29Å; K103-E106 WeakPolarHBondContact CD-OE2 3.46Å; K103-E106 WeakPolarHBondContact CE-OE2 3.4Å; K103-E106 IonicContact NZ-OE1 2.81Å; K103-E106 PolarHBondContact NZ-OE1 3.45Å; K103-E106 IonicContact NZ-OE2 3.26Å; K103-E106 PolarHBondContact NZ-OE2 3.49Å; K103-E106 PolarHBondContact O-N 3.27Å; K103-E106 VanDerWaalsContact O-N 3.17Å; K103-Y107 WeakPolarHBondContact O-CB 3.43Å; K103-Y107 PolarHBondContact O-N 3.01Å
104	P	78.9	Confident	84.1	Confident	45 Å²	45	53.7 Å²	53.7	29%	0.292	27%	0.271	S	S	.	.	H	α-helix	trans	-59.9	-29.7	-178.2	27.3	-37.5	0	0	0	113.3	Y102 G108	Y102-P104 HydrophobicContact CD1-CG 4.2Å; Y102-P104 HydrophobicContact CE1-CB 4.24Å; Y102-P104 HydrophobicContact CE1-CG 3.68Å; Y102-P104 HydrophobicContact CE2-CB 4.36Å; P104-G108 WeakPolarHBondContact O-CA 3.23Å; P104-G108 PolarHBondContact O-N 3.09Å
105	E	82.4	Confident	83.1	Confident	108 Å²	108	51.1 Å²	51.1	51%	0.505	26%	0.261	S	S	.	.	H	α-helix	trans	-76.8	-26.6	-179.2	-67.1	168.6	-136.1	0	0	113.5	R19 K103 R109	R19-E105 IonicContact CZ-OE1 2.65Å; R19-E105 IonicContact NH1-OE1 2.67Å; R19-E105 PolarHBondContact NH1-OE1 2.63Å; R19-E105 IonicContact NH2-OE1 3.44Å; R19-E105 PolarHBondContact NH2-OE1 3.13Å; K103-E105 PolarHBondContact O-N 3.37Å; K103-E105 VanDerWaalsContact O-N 3.16Å; E105-R109 PolarHBondContact O-NE 3.38Å; E105-R109 PolarHBondContact O-NH2 2.99Å
106	E	81.7	Confident	82	Confident	78 Å²	78	52.4 Å²	52.4	36%	0.364	27%	0.266	S	S	.	.	H	α-helix	trans	-87.9	-44.5	173.8	-72.1	168.7	-133.1	0	0	109.8	F47 K103 G108 R109 F110	F47-E106 HydrophobicContact CE1-CB 4.18Å; F47-E106 HydrophobicContact CZ-CB 3.95Å; K103-E106 HydrophobicContact CB-CB 4.29Å; K103-E106 WeakPolarHBondContact CD-OE2 3.46Å; K103-E106 WeakPolarHBondContact CE-OE2 3.4Å; K103-E106 IonicContact NZ-OE1 2.81Å; K103-E106 PolarHBondContact NZ-OE1 3.45Å; K103-E106 IonicContact NZ-OE2 3.26Å; K103-E106 PolarHBondContact NZ-OE2 3.49Å; K103-E106 PolarHBondContact O-N 3.27Å; K103-E106 VanDerWaalsContact O-N 3.17Å; E106-G108 VanDerWaalsContact C-N 3.33Å; E106-G108 PolarHBondContact O-N 2.82Å; E106-R109 VanDerWaalsContact CG-NH2 3.25Å; E106-R109 PolarHBondContact O-N 3.5Å; E106-R109 VanDerWaalsContact O-N 3.14Å; E106-F110 PolarHBondContact O-N 3.46Å
107	Y	82.8	Confident	80.7	Confident	17 Å²	17	57.5 Å²	57.5	7%	0.067	29%	0.293	C	S	.	.	H	α-helix	trans	-58.6	-41.1	173.2	-179	-108.8	0	0	0	112.8	V38 F47 S49 R65 K103 R109 F110 E111	V38-Y107 HydrophobicContact CG2-CE2 4.01Å; F47-Y107 HydrophobicContact CB-CD2 3.49Å; F47-Y107 VanDerWaalsContact CB-CD2 3.49Å; F47-Y107 HydrophobicContact CB-CE2 3.99Å; F47-Y107 HydrophobicContact CD1-CD2 4.15Å; F47-Y107 AromaticContact CG-CD2 3.83Å; F47-Y107 HydrophobicContact CG-CD2 3.83Å; S49-Y107 WeakPolarHBondContact CA-OH 3.2Å; R65-Y107 HydrophobicContact CG-CE1 3.94Å; R65-Y107 PolarHBondContact NE-OH 3.47Å; R65-Y107 VanDerWaalsContact NE-OH 3.14Å; R65-Y107 PolarHBondContact NH2-OH 2.92Å; K103-Y107 WeakPolarHBondContact O-CB 3.43Å; K103-Y107 PolarHBondContact O-N 3.01Å; Y107-R109 VanDerWaalsContact C-N 3.33Å; Y107-R109 PolarHBondContact O-N 3.42Å; Y107-F110 WeakPolarHBondContact O-CB 3.32Å; Y107-F110 PolarHBondContact O-N 3.16Å; Y107-E111 WeakPolarHBondContact CE1-OE2 3.44Å; Y107-E111 WeakPolarHBondContact O-CB 3.41Å; Y107-E111 PolarHBondContact O-N 2.78Å
108	G	76.3	Confident	79	Confident	35 Å²	35	62.2 Å²	62.2	36%	0.361	31%	0.305	S	S	.	.	H	α-helix	trans	-67.1	-31	176.7	0	0	0	0	0	113.4	P104 E106 A112	P104-G108 WeakPolarHBondContact O-CA 3.23Å; P104-G108 PolarHBondContact O-N 3.09Å; E106-G108 VanDerWaalsContact C-N 3.33Å; E106-G108 PolarHBondContact O-N 2.82Å; G108-A112 WeakPolarHBondContact O-CB 3.28Å; G108-A112 PolarHBondContact O-N 3.24Å
109	R	79.3	Confident	77	Confident	160 Å²	160	66.4 Å²	66.4	60%	0.604	32%	0.324	S	S	*	.	H	α-helix	trans	-72.1	-37.3	171.4	-81.4	179.3	-76	163.2	-4.7	111.9	E105 E106 Y107 K113	E105-R109 PolarHBondContact O-NE 3.38Å; E105-R109 PolarHBondContact O-NH2 2.99Å; E106-R109 VanDerWaalsContact CG-NH2 3.25Å; E106-R109 PolarHBondContact O-N 3.5Å; E106-R109 VanDerWaalsContact O-N 3.14Å; Y107-R109 VanDerWaalsContact C-N 3.33Å; Y107-R109 PolarHBondContact O-N 3.42Å; R109-K113 WeakPolarHBondContact O-CB 3.34Å; R109-K113 PolarHBondContact O-N 2.99Å
110	F	76.2	Confident	75	Confident	19 Å²	19	71.4 Å²	71.4	8%	0.083	35%	0.345	C	S	.	.	H	α-helix	trans	-64.4	-45.4	171.4	176.8	-91.8	0	0	0	111.7	V38 E44 E106 Y107 A112 K113 I114	V38-F110 HydrophobicContact CB-CE1 3.7Å; V38-F110 HydrophobicContact CB-CZ 4Å; V38-F110 HydrophobicContact CG2-CD1 4Å; V38-F110 HydrophobicContact CG2-CE1 3.4Å; V38-F110 VanDerWaalsContact CG2-CE1 3.4Å; V38-F110 HydrophobicContact CG2-CZ 4.13Å; E44-F110 WeakPolarHBondContact OE2-CD2 3.23Å; E106-F110 PolarHBondContact O-N 3.46Å; Y107-F110 WeakPolarHBondContact O-CB 3.32Å; Y107-F110 PolarHBondContact O-N 3.16Å; F110-A112 VanDerWaalsContact C-N 3.34Å; F110-A112 PolarHBondContact O-N 2.58Å; F110-K113 PolarHBondContact O-N 3.45Å; F110-I114 HydrophobicContact CD1-CG1 4.2Å; F110-I114 HydrophobicContact CD2-CG1 4.43Å; F110-I114 HydrophobicContact CE1-CG1 3.67Å; F110-I114 HydrophobicContact CE2-CD1 4.2Å; F110-I114 HydrophobicContact CE2-CG1 3.95Å; F110-I114 HydrophobicContact CZ-CD1 3.91Å; F110-I114 HydrophobicContact CZ-CG1 3.54Å; F110-I114 WeakPolarHBondContact O-CB 3.32Å; F110-I114 WeakPolarHBondContact O-CG1 3.39Å; F110-I114 PolarHBondContact O-N 2.68Å
111	E	76.1	Confident	72.9	Confident	83 Å²	83	78.8 Å²	78.8	39%	0.388	38%	0.381	S	S	.	.	H	α-helix	trans	-61.8	-41.1	176.4	-175.4	164.4	-165.2	0	0	111.5	R65 Y107 N115	R65-E111 IonicContact CZ-OE1 2.78Å; R65-E111 IonicContact CZ-OE2 3.64Å; R65-E111 IonicContact NH1-OE1 3.8Å; R65-E111 IonicContact NH1-OE2 2.71Å; R65-E111 IonicContact NH2-OE1 2.76Å; R65-E111 PolarHBondContact NH2-OE1 3.04Å; R65-E111 IonicContact NH2-OE2 3.2Å; R65-E111 PolarHBondContact NH2-OE2 3.38Å; Y107-E111 WeakPolarHBondContact CE1-OE2 3.44Å; Y107-E111 WeakPolarHBondContact O-CB 3.41Å; Y107-E111 PolarHBondContact O-N 2.78Å; E111-N115 VanDerWaalsContact O-CB 3.3Å; E111-N115 WeakPolarHBondContact O-CB 3.36Å; E111-N115 PolarHBondContact O-N 3.38Å
112	A	71	Confident	70.9	Confident	46 Å²	46	83 Å²	83	38%	0.38	40%	0.403	S	S	.	.	H	α-helix	trans	-61.4	-52	170.8	0	0	0	0	0	112.2	G108 F110 I114 N115 D116	G108-A112 WeakPolarHBondContact O-CB 3.28Å; G108-A112 PolarHBondContact O-N 3.24Å; F110-A112 VanDerWaalsContact C-N 3.34Å; F110-A112 PolarHBondContact O-N 2.58Å; A112-I114 VanDerWaalsContact C-N 3.31Å; A112-I114 PolarHBondContact O-N 3.09Å; A112-N115 CarbonylContact O-C 3.53Å; A112-N115 WeakPolarHBondContact O-CA 3.31Å; A112-N115 PolarHBondContact O-N 2.93Å; A112-D116 WeakPolarHBondContact O-CB 3.2Å; A112-D116 VanDerWaalsContact O-CG 3.25Å; A112-D116 PolarHBondContact O-N 3.23Å
113	K	74.1	Confident	68.8	Low	72 Å²	72	84 Å²	84	31%	0.313	41%	0.413	S	S	.	.	H	α-helix	trans	-54.6	-44.3	177.6	-179.5	-169.3	173.5	-167	0	112.2	D42 E44 R109 F110 L117	D42-K113 IonicContact OD2-NZ 3.7Å; D42-K113 PolarHBondContact OD2-NZ 3.14Å; E44-K113 WeakPolarHBondContact OE1-CD 3.31Å; E44-K113 WeakPolarHBondContact OE1-CE 3.34Å; E44-K113 IonicContact OE1-NZ 2.69Å; E44-K113 PolarHBondContact OE1-NZ 3.27Å; E44-K113 IonicContact OE2-NZ 2.77Å; E44-K113 PolarHBondContact OE2-NZ 2.87Å; R109-K113 WeakPolarHBondContact O-CB 3.34Å; R109-K113 PolarHBondContact O-N 2.99Å; F110-K113 PolarHBondContact O-N 3.45Å; K113-L117 WeakPolarHBondContact O-CB 3.28Å; K113-L117 PolarHBondContact O-N 2.87Å
114	I	68.1	Low	66.8	Low	35 Å²	35	90.2 Å²	90.2	18%	0.179	44%	0.442	C	S	.	.	H	α-helix	trans	-69	-35.2	177.5	-68.5	-64.5	0	0	0	111.7	F110 A112 R118	F110-I114 HydrophobicContact CD1-CG1 4.2Å; F110-I114 HydrophobicContact CD2-CG1 4.43Å; F110-I114 HydrophobicContact CE1-CG1 3.67Å; F110-I114 HydrophobicContact CE2-CD1 4.2Å; F110-I114 HydrophobicContact CE2-CG1 3.95Å; F110-I114 HydrophobicContact CZ-CD1 3.91Å; F110-I114 HydrophobicContact CZ-CG1 3.54Å; F110-I114 WeakPolarHBondContact O-CB 3.32Å; F110-I114 WeakPolarHBondContact O-CG1 3.39Å; F110-I114 PolarHBondContact O-N 2.68Å; A112-I114 VanDerWaalsContact C-N 3.31Å; A112-I114 PolarHBondContact O-N 3.09Å; I114-R118 WeakPolarHBondContact O-CD 3.34Å; I114-R118 VanDerWaalsContact O-CG 3.25Å; I114-R118 WeakPolarHBondContact O-CG 3.45Å; I114-R118 PolarHBondContact O-N 3.46Å; I114-R118 VanDerWaalsContact O-N 3.09Å
115	N	65.2	Low	64.8	Low	68 Å²	68	92.8 Å²	92.8	36%	0.364	46%	0.461	S	S	.	.	H	α-helix	trans	-70.3	-47.7	175	-167.9	73.9	0	0	0	111.6	E111 A112 L117 R118 E119	E111-N115 VanDerWaalsContact O-CB 3.3Å; E111-N115 WeakPolarHBondContact O-CB 3.36Å; E111-N115 PolarHBondContact O-N 3.38Å; A112-N115 CarbonylContact O-C 3.53Å; A112-N115 WeakPolarHBondContact O-CA 3.31Å; A112-N115 PolarHBondContact O-N 2.93Å; N115-L117 PolarHBondContact O-N 2.86Å; N115-R118 CarbonylContact O-C 3.54Å; N115-R118 WeakPolarHBondContact O-CB 3.32Å; N115-R118 PolarHBondContact O-N 3.48Å; N115-R118 VanDerWaalsContact O-N 3.09Å; N115-E119 PolarHBondContact ND2-OE1 3.11Å; N115-E119 WeakPolarHBondContact O-CB 3.43Å; N115-E119 PolarHBondContact O-N 2.79Å
116	D	69	Low	62.6	Low	92 Å²	92	95.4 Å²	95.4	49%	0.492	48%	0.478	S	S	.	.	H	α-helix	trans	-55.9	-39.1	174.4	-67.1	-10.5	0	0	0	111.5	A112 H120	A112-D116 WeakPolarHBondContact O-CB 3.2Å; A112-D116 VanDerWaalsContact O-CG 3.25Å; A112-D116 PolarHBondContact O-N 3.23Å; D116-H120 WeakPolarHBondContact O-CB 3.28Å; D116-H120 PolarHBondContact O-CD2 2.94Å; D116-H120 PolarHBondContact O-N 2.77Å
117	L	64.6	Low	60.2	Low	108 Å²	108	96.6 Å²	96.6	57%	0.565	50%	0.495	S	S	*	.	H	α-helix	trans	-69.7	-40.5	177	-161.9	73.3	0	0	0	112.1	K113 N115 H120 M121	K113-L117 WeakPolarHBondContact O-CB 3.28Å; K113-L117 PolarHBondContact O-N 2.87Å; N115-L117 PolarHBondContact O-N 2.86Å; L117-H120 PolarHBondContact O-N 2.93Å; L117-M121 WeakPolarHBondContact O-CG 3.45Å; L117-M121 PolarHBondContact O-N 2.95Å
118	R	57.6	Low	58	Low	152 Å²	152	101.6 Å²	101.6	57%	0.574	53%	0.532	S	S	*	.	H	α-helix	trans	-64.5	-44.2	172.8	-73.7	167.2	178.8	170.2	1.2	111.4	I114 N115 M121 M122	I114-R118 WeakPolarHBondContact O-CD 3.34Å; I114-R118 VanDerWaalsContact O-CG 3.25Å; I114-R118 WeakPolarHBondContact O-CG 3.45Å; I114-R118 PolarHBondContact O-N 3.46Å; I114-R118 VanDerWaalsContact O-N 3.09Å; N115-R118 CarbonylContact O-C 3.54Å; N115-R118 WeakPolarHBondContact O-CB 3.32Å; N115-R118 PolarHBondContact O-N 3.48Å; N115-R118 VanDerWaalsContact O-N 3.09Å; R118-M121 WeakPolarHBondContact O-CB 3.32Å; R118-M121 PolarHBondContact O-N 2.86Å; R118-M121 VanDerWaalsContact O-N 3.15Å; R118-M122 WeakPolarHBondContact O-CG 3.43Å; R118-M122 PolarHBondContact O-N 2.87Å
119	E	53.6	Low	55.8	Low	88 Å²	88	103.8 Å²	103.8	41%	0.411	56%	0.555	S	S	.	*	H	α-helix	trans	-63.1	-41.1	175.1	-77.1	-170	-154.5	0	0	111.2	N115 M121 M122 N123	N115-E119 PolarHBondContact ND2-OE1 3.11Å; N115-E119 WeakPolarHBondContact O-CB 3.43Å; N115-E119 PolarHBondContact O-N 2.79Å; E119-M121 VanDerWaalsContact C-N 3.28Å; E119-M121 PolarHBondContact O-N 2.91Å; E119-M122 PolarHBondContact O-N 2.89Å; E119-M122 VanDerWaalsContact O-N 3.07Å; E119-N123 WeakPolarHBondContact O-CB 3.3Å; E119-N123 PolarHBondContact O-N 2.75Å; E119-N123 PolarHBondContact O-ND2 2.81Å
120	H	53.8	Low	53.7	Low	137 Å²	137	102.5 Å²	102.5	63%	0.634	57%	0.57	S	S	*	*	H	α-helix	trans	-61.9	-33.5	172.4	-100.3	-78.1	0	0	0	113.2	D116 L117	D116-H120 WeakPolarHBondContact O-CB 3.28Å; D116-H120 PolarHBondContact O-CD2 2.94Å; D116-H120 PolarHBondContact O-N 2.77Å; L117-H120 PolarHBondContact O-N 2.93Å
121	M	50.9	Low	51.4	Low	155 Å²	155	104.4 Å²	104.4	76%	0.764	60%	0.596	S	S	*	*	H	α-helix	trans	-73.1	-25.9	173.2	-69.9	-179.6	68.9	0	0	113.3	L117 R118 E119	L117-M121 WeakPolarHBondContact O-CG 3.45Å; L117-M121 PolarHBondContact O-N 2.95Å; R118-M121 WeakPolarHBondContact O-CB 3.32Å; R118-M121 PolarHBondContact O-N 2.86Å; R118-M121 VanDerWaalsContact O-N 3.15Å; E119-M121 VanDerWaalsContact C-N 3.28Å; E119-M121 PolarHBondContact O-N 2.91Å
122	M	49.3	Very low	49.4	Very low	136 Å²	136	111.5 Å²	111.5	67%	0.67	62%	0.621	S	S	*	*	H	α-helix	trans	-87	-43.2	176.7	-69.1	176.3	175.7	0	0	112.6	R118 E119 H124 S125	R118-M122 WeakPolarHBondContact O-CG 3.43Å; R118-M122 PolarHBondContact O-N 2.87Å; E119-M122 PolarHBondContact O-N 2.89Å; E119-M122 VanDerWaalsContact O-N 3.07Å; M122-H124 PolarHBondContact O-N 2.91Å; M122-S125 PolarHBondContact O-N 3.09Å
123	N	45.6	Very low	47.5	Very low	90 Å²	90	116.7 Å²	116.7	48%	0.481	64%	0.641	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.7	-1.1	-173.3	-69	-24.4	0	0	0	114.2	E119 S125	E119-N123 WeakPolarHBondContact O-CB 3.3Å; E119-N123 PolarHBondContact O-N 2.75Å; E119-N123 PolarHBondContact O-ND2 2.81Å; N123-S125 PolarHBondContact O-N 2.91Å
124	H	45.7	Very low	45.4	Very low	170 Å²	170	121.2 Å²	121.2	79%	0.787	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.9	-4.1	160.5	-98.9	-70	0	0	0	113.3	M122	M122-H124 PolarHBondContact O-N 2.91Å
125	S	37.1	Very low	43.9	Very low	100 Å²	100	126.5 Å²	126.5	70%	0.699	70%	0.697	S	S	*	*	S	Bend	trans	-123.5	84.4	167.8	-63.3	0	0	0	0	112.6	M122 N123	M122-S125 PolarHBondContact O-N 3.09Å; N123-S125 PolarHBondContact O-N 2.91Å
126	L	36.7	Very low	42.2	Very low	162 Å²	162	127.9 Å²	127.9	85%	0.848	71%	0.705	S	S	*	*			trans	74	149.1	172.2	-53.5	167.8	0	0	0	115.3
127	S	30.7	Very low	40.5	Very low	104 Å²	104	132 Å²	132	73%	0.727	72%	0.721	S	S	*	*			trans	-139	154	-164.4	167	0	0	0	0	112.6
128	S	37.8	Very low	39.7	Very low	121 Å²	121	136 Å²	136	85%	0.846	73%	0.734	S	S	*	*			trans	104	108	160.4	-55.4	0	0	0	0	117
129	G	28.6	Very low	39.5	Very low	82 Å²	82	133.1 Å²	133.1	85%	0.845	73%	0.725	S	S	*	*			trans	164.3	75.8	169.3	0	0	0	0	0	113.9
130	S	36.2	Very low	40	Very low	132 Å²	132	131.9 Å²	131.9	92%	0.923	73%	0.727	S	S	*	*			trans	-80.4	129.9	178.1	-174.9	0	0	0	0	111.9
131	G	28.5	Very low	41.5	Very low	60 Å²	60	126.5 Å²	126.5	62%	0.619	70%	0.703	S	S	*	*			trans	-146.9	130.8	174.4	0	0	0	0	0	111	L133	G131-L133 PolarHBondContact O-N 3.03Å; G131-L133 VanDerWaalsContact O-N 3.13Å
132	Y	32.7	Very low	43.5	Very low	232 Å²	232	122.3 Å²	122.3	91%	0.91	68%	0.678	S	S	*	*			trans	-62.1	110.1	-174.1	-77.5	-107.9	0	0	0	112.4	Q134	Y132-Q134 PolarHBondContact O-N 3.21Å; Y132-Q134 VanDerWaalsContact O-N 3.13Å
133	L	31.4	Very low	45.6	Very low	154 Å²	154	115.8 Å²	115.8	81%	0.806	65%	0.647	S	S	*	*			trans	-76.9	98	165.3	-79.1	172	0	0	0	110.3	G131	G131-L133 PolarHBondContact O-N 3.03Å; G131-L133 VanDerWaalsContact O-N 3.13Å
134	Q	31.3	Very low	47.9	Very low	168 Å²	168	112.4 Å²	112.4	79%	0.785	63%	0.627	S	S	*	*			trans	-52.5	154.5	150.9	-67.2	176	-32.8	0	0	109.3	Y132 N136	Y132-Q134 PolarHBondContact O-N 3.21Å; Y132-Q134 VanDerWaalsContact O-N 3.13Å; Q134-N136 PolarHBondContact O-N 3.01Å
135	T	34.5	Very low	50.2	Low	145 Å²	145	104.3 Å²	104.3	89%	0.89	59%	0.589	S	S	*	*			trans	-66.7	84.2	176	53.7	0	0	0	0	110.3	Q137	T135-Q137 PolarHBondContact O-N 2.96Å
136	N	31.5	Very low	52.9	Low	98 Å²	98	100.1 Å²	100.1	52%	0.524	56%	0.559	S	S	.	*			trans	-56.9	134.8	177.9	-100.6	-48.6	0	0	0	109.5	Q134	Q134-N136 PolarHBondContact O-N 3.01Å
137	Q	32.8	Very low	55.6	Low	177 Å²	177	94.3 Å²	94.3	83%	0.827	53%	0.527	S	S	*	.			trans	-58.7	152.6	169	-61	178	4.9	0	0	108.4	T135 K139	T135-Q137 PolarHBondContact O-N 2.96Å; Q137-K139 PolarHBondContact O-N 3.25Å
138	K	46.9	Very low	58.5	Low	194 Å²	194	93.6 Å²	93.6	84%	0.843	52%	0.515	S	S	*	.			trans	-52.2	111.1	-178.8	-75.9	-175.7	174.9	-176.7	0	109.6	S140	K138-S140 PolarHBondContact O-N 3.2Å
139	K	53.1	Low	61.2	Low	90 Å²	90	88.5 Å²	88.5	39%	0.391	48%	0.478	S	S	.	.			trans	-65.7	90.6	-176.1	-81.6	-174.4	172.3	-79.7	0	110.7	Q137 L141 E486 L487	Q137-K139 PolarHBondContact O-N 3.25Å; K139-L141 PolarHBondContact O-N 2.89Å; K139-E486 PolarHBondContact NZ-O 3.22Å; K139-L487 VanDerWaalsContact CB-O 3.24Å; K139-L487 WeakPolarHBondContact CB-O 3.26Å; K139-L487 WeakPolarHBondContact CD-O 3.46Å; K139-L487 WeakPolarHBondContact CG-O 3.48Å; K139-L487 WeakPolarHBondContact CG-OXT 3.17Å; K139-L487 PolarHBondContact NZ-OXT 2.98Å
140	S	63.8	Low	64.1	Low	63 Å²	63	87.5 Å²	87.5	44%	0.441	45%	0.451	S	S	.	.			trans	-76	101	173.5	49	0	0	0	0	109.2	K138 H171	K138-S140 PolarHBondContact O-N 3.2Å; S140-H171 VanDerWaalsContact CB-NE2 3.3Å; S140-H171 WeakPolarHBondContact CB-NE2 3.38Å
141	L	87.4	Confident	66.6	Low	24 Å²	24	84.4 Å²	84.4	13%	0.126	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	145.7	-178.1	67.5	87.3	0	0	0	111.2	K139 V143 V172 A175 Y285	K139-L141 PolarHBondContact O-N 2.89Å; L141-V143 HydrophobicContact CD1-CG1 3.67Å; L141-V172 HydrophobicContact CD1-CB 3.6Å; L141-V172 HydrophobicContact CD1-CG1 4.26Å; L141-V172 HydrophobicContact CD1-CG2 3.77Å; L141-V172 HydrophobicContact CG-CB 4.01Å; L141-V172 HydrophobicContact CG-CG1 4.48Å; L141-V172 PolarHBondContact N-O 2.84Å; L141-V172 PolarHBondContact O-N 3.03Å; L141-A175 HydrophobicContact CD2-CB 4.27Å; L141-Y285 HydrophobicContact CD1-CD1 4.1Å; L141-Y285 HydrophobicContact CD1-CE1 3.93Å; L141-Y285 HydrophobicContact CD2-CE1 4.25Å
142	Y	91.9	Very high	69.4	Low	66 Å²	66	86.7 Å²	86.7	26%	0.259	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	136.1	176.2	-65.4	-96.3	0	0	0	109.3	L170 H171 V186 V286 W479	Y142-L170 WeakPolarHBondContact CA-O 3.25Å; Y142-H171 HydrophobicContact CD1-CB 3.87Å; Y142-H171 HydrophobicContact CE1-CB 3.61Å; Y142-H171 AromaticContact CE1-CG 3.77Å; Y142-H171 AromaticContact CZ-CG 3.98Å; Y142-V186 HydrophobicContact CD1-CG2 3.89Å; Y142-V186 HydrophobicContact CE1-CG2 3.86Å; Y142-V286 PolarHBondContact O-N 3.29Å; Y142-W479 AromaticContact CD1-CH2 3.41Å; Y142-W479 HydrophobicContact CD1-CH2 3.41Å; Y142-W479 VanDerWaalsContact CD1-CH2 3.41Å; Y142-W479 HydrophobicContact CD1-CZ2 4.4Å; Y142-W479 AromaticContact CD1-CZ3 3.65Å; Y142-W479 HydrophobicContact CD1-CZ3 3.65Å; Y142-W479 HydrophobicContact CD2-CH2 4.4Å; Y142-W479 HydrophobicContact CD2-CZ3 4.15Å; Y142-W479 AromaticContact CE1-CH2 3.67Å; Y142-W479 HydrophobicContact CE1-CH2 3.67Å; Y142-W479 HydrophobicContact CE1-CZ3 4.3Å; Y142-W479 AromaticContact CG-CH2 3.81Å; Y142-W479 HydrophobicContact CG-CH2 3.81Å; Y142-W479 AromaticContact CG-CZ3 3.55Å; Y142-W479 HydrophobicContact CG-CZ3 3.55Å
143	V	93.3	Very high	72	Confident	0 Å²	0	83.3 Å²	83.3	0%	0	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	149.6	175.6	-63.4	0	0	0	0	111.7	L141 I169 L170 V172 Y283 E284 Y285	L141-V143 HydrophobicContact CD1-CG1 3.67Å; V143-I169 CarbonylContact O-C 3.55Å; V143-I169 WeakPolarHBondContact O-CA 3.14Å; V143-L170 HydrophobicContact CG2-CB 3.96Å; V143-L170 PolarHBondContact N-O 3.28Å; V143-L170 PolarHBondContact O-N 3.09Å; V143-V172 HydrophobicContact CG2-CG2 3.93Å; V143-Y283 HydrophobicContact CB-CD1 4.39Å; V143-Y283 HydrophobicContact CG2-CD1 3.79Å; V143-Y283 HydrophobicContact CG2-CE1 4.46Å; V143-Y283 HydrophobicContact CG2-CG 4.26Å; V143-E284 CarbonylContact C-O 3.52Å; V143-E284 WeakPolarHBondContact CA-O 3.38Å; V143-E284 WeakPolarHBondContact CB-O 3.32Å; V143-Y285 HydrophobicContact CG1-CD1 3.76Å; V143-Y285 HydrophobicContact CG1-CE1 4.07Å; V143-Y285 HydrophobicContact CG1-CG 4.46Å
144	R	93.9	Very high	74.4	Confident	18 Å²	18	77 Å²	77	7%	0.068	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	128.2	166.1	-178.6	158.3	65.4	127.6	4.4	109.3	D168 I169 E284 V286 F450	R144-D168 WeakPolarHBondContact CA-O 3.38Å; R144-I169 HydrophobicContact CB-CD1 3.8Å; R144-I169 HydrophobicContact CG-CD1 3.93Å; R144-E284 IonicContact CZ-OE2 2.63Å; R144-E284 PolarHBondContact N-O 3.31Å; R144-E284 IonicContact NE-OE2 3.38Å; R144-E284 PolarHBondContact NE-OE2 2.68Å; R144-E284 VanDerWaalsContact NH2-CD 3.29Å; R144-E284 IonicContact NH2-OE1 2.77Å; R144-E284 PolarHBondContact NH2-OE1 2.77Å; R144-E284 VanDerWaalsContact NH2-OE1 3.15Å; R144-E284 IonicContact NH2-OE2 2.68Å; R144-E284 PolarHBondContact NH2-OE2 2.97Å; R144-E284 PolarHBondContact O-N 2.83Å; R144-E284 VanDerWaalsContact O-N 3.1Å; R144-V286 HydrophobicContact CB-CG1 3.78Å; R144-F450 PolarHBondContact NH1-O 3.38Å
145	A	94.8	Very high	76.3	Confident	0 Å²	0	75.3 Å²	75.3	0%	0	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	125.5	175.9	0	0	0	0	0	110.7	F164 G167 D168	A145-F164 HydrophobicContact CB-CD2 3.45Å; A145-F164 VanDerWaalsContact CB-CD2 3.45Å; A145-F164 HydrophobicContact CB-CE2 3.59Å; A145-F164 HydrophobicContact CB-CG 4.47Å; A145-G167 PolarHBondContact O-N 3.12Å; A145-D168 PolarHBondContact N-O 3.23Å
146	L	93.5	Very high	78.2	Confident	13 Å²	13	70.4 Å²	70.4	7%	0.068	37%	0.369	C	S	.	.	S	Bend	trans	-100.5	17.5	175.9	-58.6	179.3	0	0	0	112.7	Y166 L281 S282 E284	L146-Y166 HydrophobicContact CB-CE2 4.18Å; L146-Y166 HydrophobicContact CD2-CE2 4.13Å; L146-Y166 VanDerWaalsContact O-CD2 3.25Å; L146-Y166 WeakPolarHBondContact O-CD2 3.43Å; L146-L281 HydrophobicContact CB-CB 3.93Å; L146-L281 HydrophobicContact CB-CD2 4.3Å; L146-L281 HydrophobicContact CD1-CD2 4.24Å; L146-L281 WeakPolarHBondContact O-CB 3.35Å; L146-S282 PolarHBondContact N-O 2.88Å; L146-S282 VanDerWaalsContact N-O 3.08Å; L146-E284 HydrophobicContact CD1-CB 4.2Å; L146-E284 HydrophobicContact CG-CB 4.49Å
147	F	93	Very high	80.2	Confident	39 Å²	39	67.8 Å²	67.8	17%	0.171	36%	0.355	C	S	.	.	S	Bend	trans	-156.5	161.1	179.2	67.7	-77.3	0	0	0	111.5	Y149 F164 P199 V204 S282 Y283	F147-Y149 HydrophobicContact CE2-CD2 4.49Å; F147-F164 HydrophobicContact CD2-CE2 4.38Å; F147-F164 HydrophobicContact CE1-CE2 4.15Å; F147-F164 HydrophobicContact CE1-CZ 4.28Å; F147-F164 AromaticContact CE2-CE2 3.92Å; F147-F164 HydrophobicContact CE2-CE2 3.92Å; F147-F164 AromaticContact CE2-CZ 3.85Å; F147-F164 HydrophobicContact CE2-CZ 3.85Å; F147-F164 AromaticContact CZ-CE2 3.78Å; F147-F164 HydrophobicContact CZ-CE2 3.78Å; F147-F164 AromaticContact CZ-CZ 3.58Å; F147-F164 HydrophobicContact CZ-CZ 3.58Å; F147-F164 WeakPolarHBondContact O-CE2 3.31Å; F147-P199 HydrophobicContact CZ-CG 4.32Å; F147-V204 HydrophobicContact CD1-CG1 4.22Å; F147-V204 HydrophobicContact CE1-CG1 3.91Å; F147-V204 HydrophobicContact CE1-CG2 3.93Å; F147-V204 HydrophobicContact CE2-CG1 4.43Å; F147-V204 HydrophobicContact CE2-CG2 4.1Å; F147-V204 HydrophobicContact CZ-CB 4.38Å; F147-V204 HydrophobicContact CZ-CG1 4.02Å; F147-V204 HydrophobicContact CZ-CG2 3.43Å; F147-V204 VanDerWaalsContact CZ-CG2 3.43Å; F147-S282 WeakPolarHBondContact CD1-O 3.47Å; F147-S282 VanDerWaalsContact CE1-O 3.32Å; F147-S282 WeakPolarHBondContact CE1-O 3.47Å; F147-Y283 HydrophobicContact CE1-CD1 4.27Å; F147-Y283 HydrophobicContact CE1-CD2 4.44Å; F147-Y283 AromaticContact CE1-CE1 3.86Å; F147-Y283 HydrophobicContact CE1-CE1 3.86Å; F147-Y283 HydrophobicContact CE1-CE2 4.07Å; F147-Y283 AromaticContact CE1-CZ 3.78Å; F147-Y283 HydrophobicContact CZ-CE1 4.11Å; F147-Y283 HydrophobicContact CZ-CE2 4.19Å; F147-Y283 AromaticContact CZ-CZ 3.72Å
148	D	92.6	Very high	82.1	Confident	89 Å²	89	63.3 Å²	63.3	48%	0.476	34%	0.341	S	S	.	.			trans	-82.1	132.8	173.3	-85.9	18.7	0	0	0	111.7	K165 Y166	D148-K165 HydrophobicContact CB-CD 4.3Å; D148-K165 WeakPolarHBondContact OD1-CA 3.42Å; D148-K165 WeakPolarHBondContact OD1-CD 3.29Å; D148-K165 WeakPolarHBondContact OD2-CD 3.38Å; D148-K165 WeakPolarHBondContact OD2-CE 3.35Å; D148-K165 IonicContact OD2-NZ 3.11Å; D148-K165 PolarHBondContact OD2-NZ 3.4Å; D148-Y166 PolarHBondContact OD1-N 2.65Å
149	Y	92.8	Very high	83.6	Confident	15 Å²	15	57.7 Å²	57.7	6%	0.059	33%	0.326	C	S	.	.	B	Isolated β-bridge	trans	-127.9	124.8	172.1	-174.8	-110.4	0	0	0	112.3	F147 D154 L162 S163 F164 P199	F147-Y149 HydrophobicContact CE2-CD2 4.49Å; Y149-D154 HydrophobicContact CE2-CB 4.09Å; Y149-D154 WeakPolarHBondContact OH-CB 3.45Å; Y149-L162 WeakPolarHBondContact CD1-O 3.42Å; Y149-L162 WeakPolarHBondContact CE1-O 3.41Å; Y149-S163 CarbonylContact O-C 3.59Å; Y149-S163 VanDerWaalsContact O-CA 3.29Å; Y149-S163 WeakPolarHBondContact O-CA 3.49Å; Y149-S163 WeakPolarHBondContact O-CB 3.31Å; Y149-F164 VanDerWaalsContact CB-CE1 3.49Å; Y149-F164 HydrophobicContact CD1-CD1 4.14Å; Y149-F164 AromaticContact CD1-CE1 3.65Å; Y149-F164 HydrophobicContact CD1-CE1 3.65Å; Y149-F164 HydrophobicContact CD1-CZ 4.23Å; Y149-F164 AromaticContact CG-CE1 3.85Å; Y149-F164 HydrophobicContact CG-CE1 3.85Å; Y149-F164 AromaticContact CG-CZ 3.96Å; Y149-F164 HydrophobicContact CG-CZ 3.96Å; Y149-F164 PolarHBondContact N-O 3.03Å; Y149-F164 PolarHBondContact O-N 2.98Å; Y149-F164 VanDerWaalsContact O-O 3.05Å; Y149-P199 HydrophobicContact CD2-CG 3.94Å; Y149-P199 HydrophobicContact CE2-CG 3.87Å; Y149-P199 HydrophobicContact CG-CG 4.32Å
150	E	91.3	Very high	85.1	Confident	60 Å²	60	59.1 Å²	59.1	28%	0.28	33%	0.334	S	S	.	.			trans	-122.3	113.2	179.5	-73.5	170.9	-163.2	0	0	109.8	S152 K153 K165	E150-S152 PolarHBondContact O-N 3.24Å; E150-S152 VanDerWaalsContact O-N 3.08Å; E150-K153 HydrophobicContact CB-CD 4.23Å; E150-K153 HydrophobicContact CB-CG 4.5Å; E150-K153 PolarHBondContact O-N 3.32Å; E150-K153 IonicContact OE1-NZ 2.95Å; E150-K153 WeakPolarHBondContact OE2-CE 3.42Å; E150-K153 IonicContact OE2-NZ 3.61Å; E150-K153 PolarHBondContact OE2-NZ 2.95Å; E150-K165 IonicContact OE1-NZ 2.79Å; E150-K165 PolarHBondContact OE1-NZ 3.24Å
151	K	87.8	Confident	86.2	Confident	68 Å²	68	56.2 Å²	56.2	30%	0.296	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-57.2	-26.6	-175	65.5	-164.1	179.2	-171	0	114.6	K153 D154 L157 G161 S163 E194	K151-K153 PolarHBondContact O-N 2.85Å; K151-D154 PolarHBondContact O-N 2.9Å; K151-L157 HydrophobicContact CB-CD1 3.78Å; K151-L157 WeakPolarHBondContact O-CD1 2.81Å; K151-G161 VanDerWaalsContact CD-C 3.47Å; K151-G161 WeakPolarHBondContact CD-O 3.35Å; K151-G161 WeakPolarHBondContact CE-O 3.46Å; K151-G161 PolarHBondContact NZ-O 3.5Å; K151-S163 WeakPolarHBondContact CG-OG 3.12Å; K151-S163 PolarHBondContact N-OG 2.9Å; K151-S163 VanDerWaalsContact N-OG 3.09Å; K151-E194 IonicContact NZ-OE1 3.3Å; K151-E194 PolarHBondContact NZ-OE1 2.56Å
152	S	88.3	Confident	86.4	Confident	107 Å²	107	55.4 Å²	55.4	75%	0.748	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-67.8	-14.8	174.7	51.5	0	0	0	0	114.8	E150	E150-S152 PolarHBondContact O-N 3.24Å; E150-S152 VanDerWaalsContact O-N 3.08Å
153	K	86.3	Confident	86.4	Confident	161 Å²	161	54.6 Å²	54.6	70%	0.7	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-101.7	-2.8	-179.1	-68.2	174.4	176.5	158.3	0	113.9	E150 K151	E150-K153 HydrophobicContact CB-CD 4.23Å; E150-K153 HydrophobicContact CB-CG 4.5Å; E150-K153 PolarHBondContact O-N 3.32Å; E150-K153 IonicContact OE1-NZ 2.95Å; E150-K153 WeakPolarHBondContact OE2-CE 3.42Å; E150-K153 IonicContact OE2-NZ 3.61Å; E150-K153 PolarHBondContact OE2-NZ 2.95Å; K151-K153 PolarHBondContact O-N 2.85Å
154	D	81.1	Confident	86.5	Confident	21 Å²	21	54.8 Å²	54.8	11%	0.112	32%	0.315	C	S	.	.			trans	-118.8	96	179.3	-161.1	-27.6	0	0	0	111.4	Y149 K151 G156 R203	Y149-D154 HydrophobicContact CE2-CB 4.09Å; Y149-D154 WeakPolarHBondContact OH-CB 3.45Å; K151-D154 PolarHBondContact O-N 2.9Å; D154-G156 PolarHBondContact O-N 2.63Å; D154-G156 PolarHBondContact OD1-N 2.71Å; D154-R203 IonicContact OD1-NH2 3.75Å; D154-R203 PolarHBondContact OD1-NH2 3.06Å; D154-R203 IonicContact OD2-NH2 3.9Å
155	S	71.5	Confident	86.4	Confident	134 Å²	134	58 Å²	58	94%	0.937	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	0.1	177.2	53.8	0	0	0	0	114.3
156	G	74.1	Confident	86.4	Confident	41 Å²	41	58.9 Å²	58.9	42%	0.423	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	2.7	176.3	0	0	0	0	0	114.9	D154 W180	D154-G156 PolarHBondContact O-N 2.63Å; D154-G156 PolarHBondContact OD1-N 2.71Å; G156-W180 VanDerWaalsContact O-CZ2 3.22Å; G156-W180 WeakPolarHBondContact O-CZ2 3.27Å
157	L	73.6	Confident	86.3	Confident	44 Å²	44	58.7 Å²	58.7	23%	0.23	33%	0.334	C	S	.	.			trans	-60	129.6	-176.3	-86.6	165.8	0	0	0	112.8	K151 W180 V197	K151-L157 HydrophobicContact CB-CD1 3.78Å; K151-L157 WeakPolarHBondContact O-CD1 2.81Å; L157-W180 HydrophobicContact CD2-CE3 4.34Å; L157-W180 HydrophobicContact CD2-CH2 3.85Å; L157-W180 HydrophobicContact CD2-CZ3 3.67Å; L157-W180 HydrophobicContact CG-CH2 4.11Å; L157-W180 HydrophobicContact CG-CZ3 4.41Å; L157-V197 HydrophobicContact CD2-CB 4.47Å; L157-V197 HydrophobicContact CD2-CG1 4.18Å
158	P	73.1	Confident	86.3	Confident	83 Å²	83	59.5 Å²	59.5	54%	0.539	34%	0.34	S	S	.	.	S	Bend	trans	-81.5	-17.7	-179.8	32.9	-36.3	0	0	0	113.6	W180 V197	P158-W180 HydrophobicContact CG-CB 4.33Å; P158-W180 HydrophobicContact CG-CD2 4.17Å; P158-W180 HydrophobicContact CG-CG 3.87Å; P158-V197 HydrophobicContact CG-CG1 4.07Å
159	S	78.5	Confident	86.3	Confident	75 Å²	75	56 Å²	56	52%	0.524	32%	0.321	S	S	.	.	S	Bend	trans	-161.4	-157.5	-180	68.9	0	0	0	0	110.6	G161 V197	S159-G161 PolarHBondContact O-N 3.14Å; S159-V197 VanDerWaalsContact OG-CG2 3.27Å; S159-V197 WeakPolarHBondContact OG-CG2 3.35Å
160	Q	84.6	Confident	86.4	Confident	120 Å²	120	55.3 Å²	55.3	56%	0.561	32%	0.319	S	S	*	.			trans	-61.2	105.9	176.3	176.6	168.1	-16.5	0	0	110.7	E194 G196 V197	Q160-E194 PolarHBondContact NE2-OE1 3.01Å; Q160-G196 CarbonylContact O-C 3.52Å; Q160-G196 VanDerWaalsContact O-CA 3.25Å; Q160-G196 WeakPolarHBondContact O-CA 3.49Å; Q160-V197 PolarHBondContact O-N 2.73Å
161	G	86.4	Confident	86.5	Confident	3 Å²	3	53.5 Å²	53.5	3%	0.031	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-64.8	156.1	171.5	0	0	0	0	0	112.2	K151 S159 V197	K151-G161 VanDerWaalsContact CD-C 3.47Å; K151-G161 WeakPolarHBondContact CD-O 3.35Å; K151-G161 WeakPolarHBondContact CE-O 3.46Å; K151-G161 PolarHBondContact NZ-O 3.5Å; S159-G161 PolarHBondContact O-N 3.14Å; G161-V197 CarbonylContact C-O 3.48Å; G161-V197 VanDerWaalsContact CA-O 3.27Å; G161-V197 WeakPolarHBondContact CA-O 3.4Å
162	L	91.4	Very high	86.6	Confident	7 Å²	7	50.3 Å²	50.3	4%	0.037	30%	0.296	C	S	.	.			trans	-107.4	129.7	165.9	-179.6	68.1	0	0	0	107.8	Y149 L170 A183 E194 V197 I198	Y149-L162 WeakPolarHBondContact CD1-O 3.42Å; Y149-L162 WeakPolarHBondContact CE1-O 3.41Å; L162-L170 HydrophobicContact CD2-CD2 4.39Å; L162-A183 HydrophobicContact CD2-CB 4.44Å; L162-E194 HydrophobicContact CD1-CG 4.39Å; L162-V197 PolarHBondContact N-O 2.87Å; L162-I198 HydrophobicContact CB-CG2 3.85Å; L162-I198 HydrophobicContact CD2-CG2 4.03Å; L162-I198 HydrophobicContact CG-CG2 4.34Å
163	S	93.6	Very high	86.6	Confident	48 Å²	48	47.9 Å²	47.9	34%	0.336	28%	0.277	S	S	.	.			trans	-92.6	147.6	171.6	-65.4	0	0	0	0	109.5	Y149 K151	Y149-S163 CarbonylContact O-C 3.59Å; Y149-S163 VanDerWaalsContact O-CA 3.29Å; Y149-S163 WeakPolarHBondContact O-CA 3.49Å; Y149-S163 WeakPolarHBondContact O-CB 3.31Å; K151-S163 WeakPolarHBondContact CG-OG 3.12Å; K151-S163 PolarHBondContact N-OG 2.9Å; K151-S163 VanDerWaalsContact N-OG 3.09Å
164	F	94.1	Very high	86.5	Confident	5 Å²	5	43 Å²	43	2%	0.022	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-152.2	165.8	177.6	56.8	-96.4	0	0	0	110.9	A145 F147 Y149 D168 L170 I198 Y283	A145-F164 HydrophobicContact CB-CD2 3.45Å; A145-F164 VanDerWaalsContact CB-CD2 3.45Å; A145-F164 HydrophobicContact CB-CE2 3.59Å; A145-F164 HydrophobicContact CB-CG 4.47Å; F147-F164 HydrophobicContact CD2-CE2 4.38Å; F147-F164 HydrophobicContact CE1-CE2 4.15Å; F147-F164 HydrophobicContact CE1-CZ 4.28Å; F147-F164 AromaticContact CE2-CE2 3.92Å; F147-F164 HydrophobicContact CE2-CE2 3.92Å; F147-F164 AromaticContact CE2-CZ 3.85Å; F147-F164 HydrophobicContact CE2-CZ 3.85Å; F147-F164 AromaticContact CZ-CE2 3.78Å; F147-F164 HydrophobicContact CZ-CE2 3.78Å; F147-F164 AromaticContact CZ-CZ 3.58Å; F147-F164 HydrophobicContact CZ-CZ 3.58Å; F147-F164 WeakPolarHBondContact O-CE2 3.31Å; Y149-F164 VanDerWaalsContact CB-CE1 3.49Å; Y149-F164 HydrophobicContact CD1-CD1 4.14Å; Y149-F164 AromaticContact CD1-CE1 3.65Å; Y149-F164 HydrophobicContact CD1-CE1 3.65Å; Y149-F164 HydrophobicContact CD1-CZ 4.23Å; Y149-F164 AromaticContact CG-CE1 3.85Å; Y149-F164 HydrophobicContact CG-CE1 3.85Å; Y149-F164 AromaticContact CG-CZ 3.96Å; Y149-F164 HydrophobicContact CG-CZ 3.96Å; Y149-F164 PolarHBondContact N-O 3.03Å; Y149-F164 PolarHBondContact O-N 2.98Å; Y149-F164 VanDerWaalsContact O-O 3.05Å; F164-D168 VanDerWaalsContact CA-OD2 3.23Å; F164-D168 WeakPolarHBondContact CA-OD2 3.49Å; F164-D168 HydrophobicContact CB-CB 4.11Å; F164-D168 VanDerWaalsContact CB-OD2 3.26Å; F164-D168 WeakPolarHBondContact CB-OD2 3.36Å; F164-L170 HydrophobicContact CB-CD2 4.08Å; F164-L170 HydrophobicContact CD1-CD1 3.81Å; F164-L170 HydrophobicContact CD1-CD2 4.49Å; F164-L170 HydrophobicContact CD2-CD1 4.31Å; F164-L170 HydrophobicContact CE1-CD1 3.99Å; F164-L170 HydrophobicContact CE2-CD1 4.47Å; F164-L170 HydrophobicContact CG-CD1 3.97Å; F164-L170 HydrophobicContact CG-CD2 4.37Å; F164-L170 HydrophobicContact CZ-CD1 4.3Å; F164-I198 HydrophobicContact CD1-CG2 3.88Å; F164-I198 HydrophobicContact CE1-CB 3.84Å; F164-I198 HydrophobicContact CE1-CG2 3.58Å; F164-Y283 HydrophobicContact CE2-CE1 4.19Å; F164-Y283 AromaticContact CZ-CE1 3.84Å; F164-Y283 HydrophobicContact CZ-CE1 3.84Å; F164-Y283 AromaticContact CZ-CZ 4Å; F164-Y283 WeakPolarHBondContact CZ-OH 3.39Å
165	K	93.3	Very high	86.7	Confident	84 Å²	84	43.8 Å²	43.8	37%	0.365	27%	0.268	S	S	.	.			trans	-115.4	163.8	178.5	-67.7	-59.6	-175.7	-171.5	0	111.8	D148 E150 G167 D168	D148-K165 HydrophobicContact CB-CD 4.3Å; D148-K165 WeakPolarHBondContact OD1-CA 3.42Å; D148-K165 WeakPolarHBondContact OD1-CD 3.29Å; D148-K165 WeakPolarHBondContact OD2-CD 3.38Å; D148-K165 WeakPolarHBondContact OD2-CE 3.35Å; D148-K165 IonicContact OD2-NZ 3.11Å; D148-K165 PolarHBondContact OD2-NZ 3.4Å; E150-K165 IonicContact OE1-NZ 2.79Å; E150-K165 PolarHBondContact OE1-NZ 3.24Å; K165-G167 PolarHBondContact O-N 2.98Å; K165-D168 PolarHBondContact N-OD2 3.39Å; K165-D168 WeakPolarHBondContact O-CB 3.36Å; K165-D168 PolarHBondContact O-N 3.15Å; K165-D168 VanDerWaalsContact O-N 3.16Å
166	Y	94.1	Very high	87.1	Confident	19 Å²	19	42.1 Å²	42.1	8%	0.075	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52	130.4	169	-178.1	-72.1	0	0	0	110.3	L146 D148 G447 F450 L453	L146-Y166 HydrophobicContact CB-CE2 4.18Å; L146-Y166 HydrophobicContact CD2-CE2 4.13Å; L146-Y166 VanDerWaalsContact O-CD2 3.25Å; L146-Y166 WeakPolarHBondContact O-CD2 3.43Å; D148-Y166 PolarHBondContact OD1-N 2.65Å; Y166-G447 PolarHBondContact OH-O 3Å; Y166-F450 HydrophobicContact CE1-CB 4.25Å; Y166-F450 PolarHBondContact OH-O 2.8Å; Y166-L453 HydrophobicContact CD1-CB 4.29Å; Y166-L453 HydrophobicContact CD1-CD1 3.99Å; Y166-L453 HydrophobicContact CD1-CG 3.6Å; Y166-L453 HydrophobicContact CD2-CD1 3.37Å; Y166-L453 HydrophobicContact CD2-CG 3.93Å; Y166-L453 HydrophobicContact CE1-CD1 4.33Å; Y166-L453 HydrophobicContact CE1-CD2 4.41Å; Y166-L453 HydrophobicContact CE1-CG 3.82Å; Y166-L453 HydrophobicContact CE2-CD1 3.75Å; Y166-L453 HydrophobicContact CE2-CG 4.12Å; Y166-L453 HydrophobicContact CG-CB 4.42Å; Y166-L453 HydrophobicContact CG-CD1 3.52Å; Y166-L453 HydrophobicContact CG-CG 3.7Å
167	G	91.6	Very high	87.3	Confident	9 Å²	9	43.9 Å²	43.9	9%	0.093	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	97.4	-21.4	179.2	0	0	0	0	0	113.9	A145 K165 T451	A145-G167 PolarHBondContact O-N 3.12Å; K165-G167 PolarHBondContact O-N 2.98Å; G167-T451 WeakPolarHBondContact CA-O 3.08Å
168	D	92.7	Very high	87.6	Confident	57 Å²	57	45.8 Å²	45.8	31%	0.305	27%	0.267	S	S	.	.			trans	-57.4	138.1	179.7	-75.6	-4.8	0	0	0	111.5	R144 A145 F164 K165 L170	R144-D168 WeakPolarHBondContact CA-O 3.38Å; A145-D168 PolarHBondContact N-O 3.23Å; F164-D168 VanDerWaalsContact CA-OD2 3.23Å; F164-D168 WeakPolarHBondContact CA-OD2 3.49Å; F164-D168 HydrophobicContact CB-CB 4.11Å; F164-D168 VanDerWaalsContact CB-OD2 3.26Å; F164-D168 WeakPolarHBondContact CB-OD2 3.36Å; K165-D168 PolarHBondContact N-OD2 3.39Å; K165-D168 WeakPolarHBondContact O-CB 3.36Å; K165-D168 PolarHBondContact O-N 3.15Å; K165-D168 VanDerWaalsContact O-N 3.16Å; D168-L170 HydrophobicContact CB-CD2 4.4Å
169	I	93.2	Very high	88.1	Confident	15 Å²	15	44.1 Å²	44.1	8%	0.077	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	127.6	173.3	-50.7	-57	0	0	0	108.8	V143 R144 V186 V286 W479	V143-I169 CarbonylContact O-C 3.55Å; V143-I169 WeakPolarHBondContact O-CA 3.14Å; R144-I169 HydrophobicContact CB-CD1 3.8Å; R144-I169 HydrophobicContact CG-CD1 3.93Å; I169-V186 HydrophobicContact CB-CB 4.26Å; I169-V186 HydrophobicContact CG2-CB 4.17Å; I169-V186 HydrophobicContact CG2-CG2 4.06Å; I169-V186 PolarHBondContact O-N 2.86Å; I169-V286 HydrophobicContact CD1-CG2 4.39Å; I169-V286 HydrophobicContact CG2-CG2 4.21Å; I169-W479 HydrophobicContact CD1-CB 3.98Å; I169-W479 HydrophobicContact CD1-CG 4Å; I169-W479 HydrophobicContact CG1-CB 4.4Å; I169-W479 HydrophobicContact CG1-CD2 4.33Å; I169-W479 HydrophobicContact CG1-CG 3.89Å; I169-W479 HydrophobicContact CG2-CD2 3.86Å; I169-W479 HydrophobicContact CG2-CE3 4.11Å; I169-W479 HydrophobicContact CG2-CG 4.3Å; I169-W479 HydrophobicContact CG2-CH2 4.35Å; I169-W479 HydrophobicContact CG2-CZ2 4.14Å; I169-W479 HydrophobicContact CG2-CZ3 4.33Å
170	L	94	Very high	88.4	Confident	0 Å²	0	42 Å²	42	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	124.7	-177.3	-51.9	178.2	0	0	0	109.4	Y142 V143 L162 F164 D168 V172 A183 C184 C185 I198 Y283	Y142-L170 WeakPolarHBondContact CA-O 3.25Å; V143-L170 HydrophobicContact CG2-CB 3.96Å; V143-L170 PolarHBondContact N-O 3.28Å; V143-L170 PolarHBondContact O-N 3.09Å; L162-L170 HydrophobicContact CD2-CD2 4.39Å; F164-L170 HydrophobicContact CB-CD2 4.08Å; F164-L170 HydrophobicContact CD1-CD1 3.81Å; F164-L170 HydrophobicContact CD1-CD2 4.49Å; F164-L170 HydrophobicContact CD2-CD1 4.31Å; F164-L170 HydrophobicContact CE1-CD1 3.99Å; F164-L170 HydrophobicContact CE2-CD1 4.47Å; F164-L170 HydrophobicContact CG-CD1 3.97Å; F164-L170 HydrophobicContact CG-CD2 4.37Å; F164-L170 HydrophobicContact CZ-CD1 4.3Å; D168-L170 HydrophobicContact CB-CD2 4.4Å; L170-V172 PolarHBondContact O-N 3.16Å; L170-A183 HydrophobicContact CB-CB 4.48Å; L170-C184 WeakPolarHBondContact CA-O 3.49Å; L170-C185 HydrophobicContact CD2-CB 4.26Å; L170-I198 HydrophobicContact CD1-CD1 3.75Å; L170-I198 HydrophobicContact CD1-CG2 4.49Å; L170-Y283 HydrophobicContact CD1-CE1 4.01Å
171	H	92.8	Very high	88.7	Confident	22 Å²	22	37.2 Å²	37.2	10%	0.102	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	109.1	167.2	177	-176.8	0	0	0	107.6	S140 Y142 T173 A183 C184 V186 D191	S140-H171 VanDerWaalsContact CB-NE2 3.3Å; S140-H171 WeakPolarHBondContact CB-NE2 3.38Å; Y142-H171 HydrophobicContact CD1-CB 3.87Å; Y142-H171 HydrophobicContact CE1-CB 3.61Å; Y142-H171 AromaticContact CE1-CG 3.77Å; Y142-H171 AromaticContact CZ-CG 3.98Å; H171-T173 PolarHBondContact O-N 3.39Å; H171-A183 CarbonylContact O-C 3.44Å; H171-A183 WeakPolarHBondContact O-CA 3.48Å; H171-A183 WeakPolarHBondContact O-CB 3.34Å; H171-C184 PolarHBondContact N-O 2.99Å; H171-C184 PolarHBondContact O-N 3.39Å; H171-V186 HydrophobicContact CB-CG2 3.84Å; H171-D191 IonicContact CE1-OD2 2.79Å; H171-D191 PolarHBondContact CE1-OD2 3.39Å; H171-D191 IonicContact CG-OD2 2.77Å; H171-D191 IonicContact ND1-OD1 2.7Å; H171-D191 IonicContact ND1-OD2 2.63Å; H171-D191 PolarHBondContact ND1-OD2 3.21Å
172	V	91	Very high	88.8	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.006	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	107.3	175.6	-177.8	0	0	0	0	108.6	L141 V143 L170 A175 W181 Q182 A183 I198	L141-V172 HydrophobicContact CD1-CB 3.6Å; L141-V172 HydrophobicContact CD1-CG1 4.26Å; L141-V172 HydrophobicContact CD1-CG2 3.77Å; L141-V172 HydrophobicContact CG-CB 4.01Å; L141-V172 HydrophobicContact CG-CG1 4.48Å; L141-V172 PolarHBondContact N-O 2.84Å; L141-V172 PolarHBondContact O-N 3.03Å; V143-V172 HydrophobicContact CG2-CG2 3.93Å; L170-V172 PolarHBondContact O-N 3.16Å; V172-A175 HydrophobicContact CG1-CB 3.98Å; V172-W181 HydrophobicContact CG1-CB 4.02Å; V172-W181 HydrophobicContact CG1-CD2 4.41Å; V172-W181 HydrophobicContact CG1-CE3 4.35Å; V172-W181 HydrophobicContact CG1-CG 4.34Å; V172-W181 HydrophobicContact CG2-CE3 4.19Å; V172-Q182 CarbonylContact C-O 3.59Å; V172-A183 HydrophobicContact CG2-CB 4.23Å; V172-I198 HydrophobicContact CG2-CD1 4.27Å
173	T	87.6	Confident	88.8	Confident	57 Å²	57	40.9 Å²	40.9	35%	0.35	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	-19.5	-179.5	58.6	0	0	0	0	112.5	H171 Q182	H171-T173 PolarHBondContact O-N 3.39Å; T173-Q182 PolarHBondContact N-O 2.89Å; T173-Q182 PolarHBondContact OG1-O 3.31Å
174	N	84.8	Confident	88.7	Confident	57 Å²	57	38.8 Å²	38.8	31%	0.305	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	122.9	171.8	-174.4	13.3	0	0	0	111.7	S176 W181 Q182	N174-S176 PolarHBondContact ND2-OG 3.16Å; N174-S176 VanDerWaalsContact OD1-CB 3.24Å; N174-S176 WeakPolarHBondContact OD1-CB 3.43Å; N174-S176 PolarHBondContact OD1-N 3.37Å; N174-S176 PolarHBondContact OD1-OG 2.9Å; N174-S176 VanDerWaalsContact OD1-OG 3.06Å; N174-W181 WeakPolarHBondContact O-CA 3.35Å; N174-Q182 HydrophobicContact CB-CB 4.01Å; N174-Q182 HydrophobicContact CB-CG 4.12Å; N174-Q182 PolarHBondContact N-O 3.08Å; N174-Q182 PolarHBondContact ND2-OE1 2.89Å; N174-Q182 PolarHBondContact O-N 2.86Å
175	A	85.8	Confident	88.5	Confident	39 Å²	39	39.8 Å²	39.8	32%	0.322	22%	0.218	S	C	.	.			trans	-113.1	12.7	177.2	0	0	0	0	0	113.6	L141 V172 D177 W181	L141-A175 HydrophobicContact CD2-CB 4.27Å; V172-A175 HydrophobicContact CG1-CB 3.98Å; A175-D177 VanDerWaalsContact C-N 3.26Å; A175-D177 PolarHBondContact O-N 3.24Å; A175-W181 HydrophobicContact CB-CD2 4.24Å; A175-W181 HydrophobicContact CB-CG 4.29Å; A175-W181 HydrophobicContact CB-CZ2 4.41Å; A175-W181 PolarHBondContact O-NE1 2.79Å
176	S	79.6	Confident	88.3	Confident	98 Å²	98	37 Å²	37	69%	0.685	21%	0.208	S	C	*	.			trans	-70.5	-11.8	-169.9	72.4	0	0	0	0	116.1	N174	N174-S176 PolarHBondContact ND2-OG 3.16Å; N174-S176 VanDerWaalsContact OD1-CB 3.24Å; N174-S176 WeakPolarHBondContact OD1-CB 3.43Å; N174-S176 PolarHBondContact OD1-N 3.37Å; N174-S176 PolarHBondContact OD1-OG 2.9Å; N174-S176 VanDerWaalsContact OD1-OG 3.06Å
177	D	77.7	Confident	87.6	Confident	78 Å²	78	39.6 Å²	39.6	42%	0.417	23%	0.226	S	C	.	.	S	Bend	trans	-107.2	132.4	-177.8	176.8	-56.1	0	0	0	109.8	A175 E179 W180 W181	A175-D177 VanDerWaalsContact C-N 3.26Å; A175-D177 PolarHBondContact O-N 3.24Å; D177-E179 PolarHBondContact O-N 3.09Å; D177-E179 WeakPolarHBondContact OD1-CA 3.5Å; D177-E179 PolarHBondContact OD1-N 3.39Å; D177-W180 WeakPolarHBondContact CB-O 3.5Å; D177-W180 PolarHBondContact OD1-N 3.39Å; D177-W181 VanDerWaalsContact O-CD1 3.3Å; D177-W181 PolarHBondContact O-NE1 3.22Å
178	D	79	Confident	86.5	Confident	84 Å²	84	44.2 Å²	44.2	45%	0.449	26%	0.257	S	S	.	.	S	Bend	trans	-74	-11.1	-172.3	-105.2	29	0	0	0	113.9	S200 K202	D178-S200 PolarHBondContact O-OG 3.18Å; D178-K202 HydrophobicContact CB-CD 4.32Å; D178-K202 VanDerWaalsContact CG-CD 3.46Å; D178-K202 WeakPolarHBondContact OD1-CD 3.34Å; D178-K202 IonicContact OD1-NZ 3.75Å; D178-K202 PolarHBondContact OD1-NZ 3.32Å; D178-K202 VanDerWaalsContact OD2-CD 3.27Å; D178-K202 WeakPolarHBondContact OD2-CD 3.43Å; D178-K202 IonicContact OD2-NZ 2.65Å; D178-K202 PolarHBondContact OD2-NZ 3.41Å
179	E	83.9	Confident	85.2	Confident	48 Å²	48	50.3 Å²	50.3	22%	0.224	28%	0.283	C	S	.	.	S	Bend	trans	-110.5	-34.3	175.5	-69.7	-58.8	111.6	0	0	113.7	D177 S200 R203 R206	D177-E179 PolarHBondContact O-N 3.09Å; D177-E179 WeakPolarHBondContact OD1-CA 3.5Å; D177-E179 PolarHBondContact OD1-N 3.39Å; E179-S200 PolarHBondContact O-N 2.98Å; E179-R203 WeakPolarHBondContact O-CD 3.09Å; E179-R203 WeakPolarHBondContact OE2-CD 3.47Å; E179-R203 WeakPolarHBondContact OE2-CG 3.32Å; E179-R203 IonicContact OE2-CZ 2.75Å; E179-R203 IonicContact OE2-NE 2.63Å; E179-R203 IonicContact OE2-NH1 3.14Å; E179-R203 PolarHBondContact OE2-NH1 3.2Å; E179-R206 IonicContact OE1-CZ 3.61Å; E179-R206 IonicContact OE1-NH1 2.7Å; E179-R206 PolarHBondContact OE1-NH1 3.42Å; E179-R206 IonicContact OE1-NH2 3.8Å; E179-R206 PolarHBondContact OE1-NH2 2.92Å; E179-R206 IonicContact OE2-NH1 3.48Å; E179-R206 PolarHBondContact OE2-NH1 2.93Å
180	W	86.4	Confident	84.3	Confident	31 Å²	31	50.8 Å²	50.8	12%	0.117	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	116.1	-164.8	-66.2	114.9	0	0	0	113.2	G156 L157 P158 D177 V197 P199	G156-W180 VanDerWaalsContact O-CZ2 3.22Å; G156-W180 WeakPolarHBondContact O-CZ2 3.27Å; L157-W180 HydrophobicContact CD2-CE3 4.34Å; L157-W180 HydrophobicContact CD2-CH2 3.85Å; L157-W180 HydrophobicContact CD2-CZ3 3.67Å; L157-W180 HydrophobicContact CG-CH2 4.11Å; L157-W180 HydrophobicContact CG-CZ3 4.41Å; P158-W180 HydrophobicContact CG-CB 4.33Å; P158-W180 HydrophobicContact CG-CD2 4.17Å; P158-W180 HydrophobicContact CG-CG 3.87Å; D177-W180 WeakPolarHBondContact CB-O 3.5Å; D177-W180 PolarHBondContact OD1-N 3.39Å; W180-V197 HydrophobicContact CB-CG1 3.79Å; W180-V197 HydrophobicContact CD2-CG1 3.84Å; W180-V197 HydrophobicContact CE3-CG1 3.38Å; W180-V197 HydrophobicContact CG-CG1 4.05Å; W180-V197 HydrophobicContact CZ3-CG1 4.17Å; W180-P199 HydrophobicContact CE3-CB 4.34Å; W180-P199 HydrophobicContact CZ3-CB 4.04Å
181	W	90.4	Very high	83.4	Confident	19 Å²	19	54.3 Å²	54.3	7%	0.072	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	149.9	177.1	-65.3	-11.8	0	0	0	111.4	V172 N174 A175 D177 V197 I198 K201 Y283	V172-W181 HydrophobicContact CG1-CB 4.02Å; V172-W181 HydrophobicContact CG1-CD2 4.41Å; V172-W181 HydrophobicContact CG1-CE3 4.35Å; V172-W181 HydrophobicContact CG1-CG 4.34Å; V172-W181 HydrophobicContact CG2-CE3 4.19Å; N174-W181 WeakPolarHBondContact O-CA 3.35Å; A175-W181 HydrophobicContact CB-CD2 4.24Å; A175-W181 HydrophobicContact CB-CG 4.29Å; A175-W181 HydrophobicContact CB-CZ2 4.41Å; A175-W181 PolarHBondContact O-NE1 2.79Å; D177-W181 VanDerWaalsContact O-CD1 3.3Å; D177-W181 PolarHBondContact O-NE1 3.22Å; W181-V197 WeakPolarHBondContact O-CA 3.19Å; W181-I198 HydrophobicContact CB-CD1 4.36Å; W181-I198 HydrophobicContact CB-CG1 3.83Å; W181-I198 HydrophobicContact CE3-CD1 4.49Å; W181-I198 PolarHBondContact N-O 3.32Å; W181-I198 PolarHBondContact O-N 3.41Å; W181-K201 HydrophobicContact CH2-CB 3.39Å; W181-K201 HydrophobicContact CZ2-CB 3.92Å; W181-K201 HydrophobicContact CZ3-CB 4.01Å; W181-Y283 HydrophobicContact CZ3-CD2 4.05Å; W181-Y283 HydrophobicContact CZ3-CE2 4.37Å
182	Q	87.9	Confident	82.6	Confident	87 Å²	87	55.3 Å²	55.3	41%	0.407	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	124.7	173.2	-52.1	-178	-93.3	0	0	109	V172 T173 N174	V172-Q182 CarbonylContact C-O 3.59Å; T173-Q182 PolarHBondContact N-O 2.89Å; T173-Q182 PolarHBondContact OG1-O 3.31Å; N174-Q182 HydrophobicContact CB-CB 4.01Å; N174-Q182 HydrophobicContact CB-CG 4.12Å; N174-Q182 PolarHBondContact N-O 3.08Å; N174-Q182 PolarHBondContact ND2-OE1 2.89Å; N174-Q182 PolarHBondContact O-N 2.86Å
183	A	91.9	Very high	81.7	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	167	-175	0	0	0	0	0	112.6	L162 L170 H171 V172 I195 G196 I198	L162-A183 HydrophobicContact CD2-CB 4.44Å; L170-A183 HydrophobicContact CB-CB 4.48Å; H171-A183 CarbonylContact O-C 3.44Å; H171-A183 WeakPolarHBondContact O-CA 3.48Å; H171-A183 WeakPolarHBondContact O-CB 3.34Å; V172-A183 HydrophobicContact CG2-CB 4.23Å; A183-I195 CarbonylContact O-C 3.51Å; A183-I195 WeakPolarHBondContact O-CA 3.46Å; A183-G196 PolarHBondContact N-O 2.84Å; A183-G196 PolarHBondContact O-N 2.98Å; A183-G196 VanDerWaalsContact O-O 3.1Å; A183-I198 HydrophobicContact CB-CD1 3.67Å; A183-I198 HydrophobicContact CB-CG1 4.11Å; A183-I198 HydrophobicContact CB-CG2 4.37Å
184	C	91.3	Very high	81.5	Confident	4 Å²	4	66.1 Å²	66.1	3%	0.027	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	152.9	163.1	56.8	0	0	0	0	110	L170 H171 S192 E194 I195	L170-C184 WeakPolarHBondContact CA-O 3.49Å; H171-C184 PolarHBondContact N-O 2.99Å; H171-C184 PolarHBondContact O-N 3.39Å; C184-S192 WeakPolarHBondContact CB-O 3.41Å; C184-E194 VanDerWaalsContact CB-O 3.28Å; C184-E194 WeakPolarHBondContact CB-O 3.31Å; C184-I195 HydrophobicContact CB-CG1 4.2Å
185	C	90.4	Very high	81.5	Confident	26 Å²	26	68 Å²	68	18%	0.176	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	138.4	173.8	-55.7	0	0	0	0	110.3	L170 S192	L170-C185 HydrophobicContact CD2-CB 4.26Å; C185-S192 WeakPolarHBondContact O-CB 3.39Å; C185-S192 PolarHBondContact O-N 3.23Å
186	V	87.9	Confident	81.6	Confident	27 Å²	27	66.4 Å²	66.4	16%	0.164	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	128.4	175	-170.5	0	0	0	0	109	Y142 I169 H171 W479	Y142-V186 HydrophobicContact CD1-CG2 3.89Å; Y142-V186 HydrophobicContact CE1-CG2 3.86Å; I169-V186 HydrophobicContact CB-CB 4.26Å; I169-V186 HydrophobicContact CG2-CB 4.17Å; I169-V186 HydrophobicContact CG2-CG2 4.06Å; I169-V186 PolarHBondContact O-N 2.86Å; H171-V186 HydrophobicContact CB-CG2 3.84Å; V186-W479 HydrophobicContact CG1-CZ2 3.99Å
187	T	79.7	Confident	82.1	Confident	73 Å²	73	62.2 Å²	62.2	45%	0.448	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	171.3	178.3	74.5	0	0	0	0	111	H189 G190	T187-H189 PolarHBondContact O-N 3.32Å; T187-H189 PolarHBondContact OG1-N 3.24Å; T187-G190 WeakPolarHBondContact CB-O 3.08Å; T187-G190 PolarHBondContact N-O 3.44Å; T187-G190 PolarHBondContact O-N 3.5Å; T187-G190 PolarHBondContact OG1-O 2.9Å
188	S	68.5	Low	82.8	Confident	105 Å²	105	58.5 Å²	58.5	73%	0.734	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-17.3	171.7	-34.4	0	0	0	0	113.9
189	H	65.3	Low	83.4	Confident	186 Å²	186	54.8 Å²	54.8	86%	0.861	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	8.9	176.6	-58.2	-48.8	0	0	0	113.5	T187	T187-H189 PolarHBondContact O-N 3.32Å; T187-H189 PolarHBondContact OG1-N 3.24Å
190	G	73.7	Confident	83.7	Confident	25 Å²	25	52.5 Å²	52.5	26%	0.258	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	100.9	-166.6	-174.8	0	0	0	0	0	113.3	T187	T187-G190 WeakPolarHBondContact CB-O 3.08Å; T187-G190 PolarHBondContact N-O 3.44Å; T187-G190 PolarHBondContact O-N 3.5Å; T187-G190 PolarHBondContact OG1-O 2.9Å
191	D	75.3	Confident	83.9	Confident	74 Å²	74	52.9 Å²	52.9	40%	0.396	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	135.2	-172.9	-62.1	-10.7	0	0	0	113.2	H171	H171-D191 IonicContact CE1-OD2 2.79Å; H171-D191 PolarHBondContact CE1-OD2 3.39Å; H171-D191 IonicContact CG-OD2 2.77Å; H171-D191 IonicContact ND1-OD1 2.7Å; H171-D191 IonicContact ND1-OD2 2.63Å; H171-D191 PolarHBondContact ND1-OD2 3.21Å
192	S	77.2	Confident	83.7	Confident	42 Å²	42	56.9 Å²	56.9	29%	0.294	30%	0.3	S	S	.	.			trans	-65.4	146.1	170.4	-178.8	0	0	0	0	111.3	C184 C185 E194	C184-S192 WeakPolarHBondContact CB-O 3.41Å; C185-S192 WeakPolarHBondContact O-CB 3.39Å; C185-S192 PolarHBondContact O-N 3.23Å; S192-E194 VanDerWaalsContact C-N 3.3Å; S192-E194 PolarHBondContact OG-N 3.4Å
193	K	72.4	Confident	83.8	Confident	211 Å²	211	55.2 Å²	55.2	92%	0.917	29%	0.29	S	S	*	.	S	Bend	trans	-76.5	-13.8	173.9	-61.2	-175.9	-178.4	179.4	0	113.3	I195	K193-I195 PolarHBondContact O-N 2.98Å
194	E	81.4	Confident	83.6	Confident	75 Å²	75	55.8 Å²	55.8	35%	0.35	29%	0.293	S	S	.	.			trans	-80.5	95.1	170.5	-171	176.6	178.7	0	0	109.4	K151 Q160 L162 C184 S192	K151-E194 IonicContact NZ-OE1 3.3Å; K151-E194 PolarHBondContact NZ-OE1 2.56Å; Q160-E194 PolarHBondContact NE2-OE1 3.01Å; L162-E194 HydrophobicContact CD1-CG 4.39Å; C184-E194 VanDerWaalsContact CB-O 3.28Å; C184-E194 WeakPolarHBondContact CB-O 3.31Å; S192-E194 VanDerWaalsContact C-N 3.3Å; S192-E194 PolarHBondContact OG-N 3.4Å
195	I	85.5	Confident	83.5	Confident	95 Å²	95	57.6 Å²	57.6	49%	0.487	30%	0.302	S	S	.	.			trans	-81.5	129.3	162.3	-59.4	171.7	0	0	0	107.7	A183 C184 K193	A183-I195 CarbonylContact O-C 3.51Å; A183-I195 WeakPolarHBondContact O-CA 3.46Å; C184-I195 HydrophobicContact CB-CG1 4.2Å; K193-I195 PolarHBondContact O-N 2.98Å
196	G	88.3	Confident	83.4	Confident	6 Å²	6	62 Å²	62	6%	0.062	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	-178.7	176.1	0	0	0	0	0	112.3	Q160 A183	Q160-G196 CarbonylContact O-C 3.52Å; Q160-G196 VanDerWaalsContact O-CA 3.25Å; Q160-G196 WeakPolarHBondContact O-CA 3.49Å; A183-G196 PolarHBondContact N-O 2.84Å; A183-G196 PolarHBondContact O-N 2.98Å; A183-G196 VanDerWaalsContact O-O 3.1Å
197	V	89.8	Confident	83.3	Confident	10 Å²	10	66.8 Å²	66.8	6%	0.061	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	133.3	-179	169.1	0	0	0	0	111.5	L157 P158 S159 Q160 G161 L162 W180 W181	L157-V197 HydrophobicContact CD2-CB 4.47Å; L157-V197 HydrophobicContact CD2-CG1 4.18Å; P158-V197 HydrophobicContact CG-CG1 4.07Å; S159-V197 VanDerWaalsContact OG-CG2 3.27Å; S159-V197 WeakPolarHBondContact OG-CG2 3.35Å; Q160-V197 PolarHBondContact O-N 2.73Å; G161-V197 CarbonylContact C-O 3.48Å; G161-V197 VanDerWaalsContact CA-O 3.27Å; G161-V197 WeakPolarHBondContact CA-O 3.4Å; L162-V197 PolarHBondContact N-O 2.87Å; W180-V197 HydrophobicContact CB-CG1 3.79Å; W180-V197 HydrophobicContact CD2-CG1 3.84Å; W180-V197 HydrophobicContact CE3-CG1 3.38Å; W180-V197 HydrophobicContact CG-CG1 4.05Å; W180-V197 HydrophobicContact CZ3-CG1 4.17Å; W181-V197 WeakPolarHBondContact O-CA 3.19Å
198	I	92.9	Very high	83.4	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	150.9	172.9	66	174.8	0	0	0	109.7	L162 F164 L170 V172 W181 A183 Y283	L162-I198 HydrophobicContact CB-CG2 3.85Å; L162-I198 HydrophobicContact CD2-CG2 4.03Å; L162-I198 HydrophobicContact CG-CG2 4.34Å; F164-I198 HydrophobicContact CD1-CG2 3.88Å; F164-I198 HydrophobicContact CE1-CB 3.84Å; F164-I198 HydrophobicContact CE1-CG2 3.58Å; L170-I198 HydrophobicContact CD1-CD1 3.75Å; L170-I198 HydrophobicContact CD1-CG2 4.49Å; V172-I198 HydrophobicContact CG2-CD1 4.27Å; W181-I198 HydrophobicContact CB-CD1 4.36Å; W181-I198 HydrophobicContact CB-CG1 3.83Å; W181-I198 HydrophobicContact CE3-CD1 4.49Å; W181-I198 PolarHBondContact N-O 3.32Å; W181-I198 PolarHBondContact O-N 3.41Å; A183-I198 HydrophobicContact CB-CD1 3.67Å; A183-I198 HydrophobicContact CB-CG1 4.11Å; A183-I198 HydrophobicContact CB-CG2 4.37Å; I198-Y283 HydrophobicContact CD1-CE1 4.26Å
199	P	92.3	Very high	84.1	Confident	6 Å²	6	66.6 Å²	66.6	4%	0.039	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	138.8	175.2	28.7	-35	0	0	0	110.1	F147 Y149 W180 R203 V204 Y283	F147-P199 HydrophobicContact CZ-CG 4.32Å; Y149-P199 HydrophobicContact CD2-CG 3.94Å; Y149-P199 HydrophobicContact CE2-CG 3.87Å; Y149-P199 HydrophobicContact CG-CG 4.32Å; W180-P199 HydrophobicContact CE3-CB 4.34Å; W180-P199 HydrophobicContact CZ3-CB 4.04Å; P199-R203 HydrophobicContact CB-CG 4.23Å; P199-V204 HydrophobicContact CB-CG2 4.01Å; P199-V204 HydrophobicContact CG-CG2 3.89Å; P199-Y283 WeakPolarHBondContact O-CE2 2.96Å; P199-Y283 PolarHBondContact O-OH 3.16Å
200	S	89.6	Confident	84.9	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	29%	0.289	C	S	.	.			trans	-63.7	157.7	178.1	76.5	0	0	0	0	112.3	D178 E179 K202 R203 V204	D178-S200 PolarHBondContact O-OG 3.18Å; E179-S200 PolarHBondContact O-N 2.98Å; S200-K202 VanDerWaalsContact C-N 3.27Å; S200-K202 PolarHBondContact O-N 2.8Å; S200-R203 PolarHBondContact O-N 2.72Å; S200-R203 VanDerWaalsContact OG-CB 3.31Å; S200-R203 WeakPolarHBondContact OG-CB 3.48Å; S200-R203 PolarHBondContact OG-N 2.85Å; S200-V204 WeakPolarHBondContact O-CG2 3.23Å; S200-V204 PolarHBondContact O-N 3.46Å
201	K	89.7	Confident	85.2	Confident	40 Å²	40	65.2 Å²	65.2	17%	0.174	30%	0.3	C	S	.	.	H	α-helix	trans	-50.6	-46.9	170.9	-178	175	175.4	-176.5	0	111.9	W181 R203 V204 E205 Y283 E485	W181-K201 HydrophobicContact CH2-CB 3.39Å; W181-K201 HydrophobicContact CZ2-CB 3.92Å; W181-K201 HydrophobicContact CZ3-CB 4.01Å; K201-R203 PolarHBondContact O-N 3.46Å; K201-V204 PolarHBondContact O-N 2.87Å; K201-E205 VanDerWaalsContact CE-OE1 3.27Å; K201-E205 WeakPolarHBondContact CE-OE1 3.38Å; K201-E205 WeakPolarHBondContact CG-OE1 3.36Å; K201-E205 WeakPolarHBondContact O-CG 3.26Å; K201-E205 PolarHBondContact O-N 2.89Å; K201-Y283 HydrophobicContact CB-CD2 3.93Å; K201-E485 IonicContact NZ-OE1 2.69Å; K201-E485 PolarHBondContact NZ-OE1 3.47Å
202	K	87.4	Confident	85	Confident	103 Å²	103	64.5 Å²	64.5	45%	0.448	30%	0.296	S	S	.	.	H	α-helix	trans	-57.9	-44	175.7	-68.8	176.3	176.1	176.9	0	112.6	D178 S200 R206	D178-K202 HydrophobicContact CB-CD 4.32Å; D178-K202 VanDerWaalsContact CG-CD 3.46Å; D178-K202 WeakPolarHBondContact OD1-CD 3.34Å; D178-K202 IonicContact OD1-NZ 3.75Å; D178-K202 PolarHBondContact OD1-NZ 3.32Å; D178-K202 VanDerWaalsContact OD2-CD 3.27Å; D178-K202 WeakPolarHBondContact OD2-CD 3.43Å; D178-K202 IonicContact OD2-NZ 2.65Å; D178-K202 PolarHBondContact OD2-NZ 3.41Å; S200-K202 VanDerWaalsContact C-N 3.27Å; S200-K202 PolarHBondContact O-N 2.8Å; K202-R206 VanDerWaalsContact O-CB 3.26Å; K202-R206 WeakPolarHBondContact O-CB 3.07Å; K202-R206 PolarHBondContact O-N 2.94Å
203	R	89.1	Confident	84.7	Confident	52 Å²	52	70.1 Å²	70.1	20%	0.196	32%	0.315	C	S	.	.	H	α-helix	trans	-65.7	-45.6	179.4	178.3	176.2	173.9	86.4	-4.6	112.1	D154 E179 P199 S200 K201 R206 K207	D154-R203 IonicContact OD1-NH2 3.75Å; D154-R203 PolarHBondContact OD1-NH2 3.06Å; D154-R203 IonicContact OD2-NH2 3.9Å; E179-R203 WeakPolarHBondContact O-CD 3.09Å; E179-R203 WeakPolarHBondContact OE2-CD 3.47Å; E179-R203 WeakPolarHBondContact OE2-CG 3.32Å; E179-R203 IonicContact OE2-CZ 2.75Å; E179-R203 IonicContact OE2-NE 2.63Å; E179-R203 IonicContact OE2-NH1 3.14Å; E179-R203 PolarHBondContact OE2-NH1 3.2Å; P199-R203 HydrophobicContact CB-CG 4.23Å; S200-R203 PolarHBondContact O-N 2.72Å; S200-R203 VanDerWaalsContact OG-CB 3.31Å; S200-R203 WeakPolarHBondContact OG-CB 3.48Å; S200-R203 PolarHBondContact OG-N 2.85Å; K201-R203 PolarHBondContact O-N 3.46Å; R203-R206 PolarHBondContact O-N 2.86Å; R203-K207 WeakPolarHBondContact O-CB 3.23Å; R203-K207 PolarHBondContact O-N 2.92Å
204	V	89	Confident	84	Confident	11 Å²	11	65 Å²	65	7%	0.067	30%	0.301	C	S	.	.	H	α-helix	trans	-60.5	-53.1	177.8	176.9	0	0	0	0	110.4	F147 P199 S200 K201 R206 K207 E208 Y283	F147-V204 HydrophobicContact CD1-CG1 4.22Å; F147-V204 HydrophobicContact CE1-CG1 3.91Å; F147-V204 HydrophobicContact CE1-CG2 3.93Å; F147-V204 HydrophobicContact CE2-CG1 4.43Å; F147-V204 HydrophobicContact CE2-CG2 4.1Å; F147-V204 HydrophobicContact CZ-CB 4.38Å; F147-V204 HydrophobicContact CZ-CG1 4.02Å; F147-V204 HydrophobicContact CZ-CG2 3.43Å; F147-V204 VanDerWaalsContact CZ-CG2 3.43Å; P199-V204 HydrophobicContact CB-CG2 4.01Å; P199-V204 HydrophobicContact CG-CG2 3.89Å; S200-V204 WeakPolarHBondContact O-CG2 3.23Å; S200-V204 PolarHBondContact O-N 3.46Å; K201-V204 PolarHBondContact O-N 2.87Å; V204-R206 VanDerWaalsContact C-N 3.31Å; V204-R206 PolarHBondContact O-N 3.24Å; V204-K207 WeakPolarHBondContact O-CB 3.5Å; V204-K207 PolarHBondContact O-N 3.46Å; V204-K207 VanDerWaalsContact O-N 3.09Å; V204-E208 PolarHBondContact O-N 3.3Å; V204-Y283 HydrophobicContact CG2-CE2 4.05Å
205	E	88.6	Confident	82.5	Confident	43 Å²	43	66.5 Å²	66.5	20%	0.201	32%	0.316	C	S	.	.	H	α-helix	trans	-65.1	-32.5	-179.6	-68.6	173.9	-159.9	0	0	112.9	K201 R209 S282	K201-E205 VanDerWaalsContact CE-OE1 3.27Å; K201-E205 WeakPolarHBondContact CE-OE1 3.38Å; K201-E205 WeakPolarHBondContact CG-OE1 3.36Å; K201-E205 WeakPolarHBondContact O-CG 3.26Å; K201-E205 PolarHBondContact O-N 2.89Å; E205-R209 WeakPolarHBondContact O-CB 3.41Å; E205-R209 PolarHBondContact O-N 2.98Å; E205-R209 PolarHBondContact O-NH1 3.09Å; E205-R209 VanDerWaalsContact O-NH1 3.09Å; E205-R209 IonicContact OE2-NH2 3.57Å; E205-S282 PolarHBondContact OE1-OG 2.77Å
206	R	86.9	Confident	80.7	Confident	119 Å²	119	70.8 Å²	70.8	45%	0.449	33%	0.331	S	S	.	.	H	α-helix	trans	-67.1	-38.9	173.7	-159.9	-171.9	-49.4	107.2	-6.9	111.4	E179 K202 R203 V204 A210	E179-R206 IonicContact OE1-CZ 3.61Å; E179-R206 IonicContact OE1-NH1 2.7Å; E179-R206 PolarHBondContact OE1-NH1 3.42Å; E179-R206 IonicContact OE1-NH2 3.8Å; E179-R206 PolarHBondContact OE1-NH2 2.92Å; E179-R206 IonicContact OE2-NH1 3.48Å; E179-R206 PolarHBondContact OE2-NH1 2.93Å; K202-R206 VanDerWaalsContact O-CB 3.26Å; K202-R206 WeakPolarHBondContact O-CB 3.07Å; K202-R206 PolarHBondContact O-N 2.94Å; R203-R206 PolarHBondContact O-N 2.86Å; V204-R206 VanDerWaalsContact C-N 3.31Å; V204-R206 PolarHBondContact O-N 3.24Å; R206-A210 WeakPolarHBondContact O-CB 3.34Å; R206-A210 PolarHBondContact O-N 3.37Å
207	K	86.2	Confident	78.2	Confident	127 Å²	127	79.5 Å²	79.5	55%	0.552	37%	0.367	S	S	*	.	H	α-helix	trans	-66.7	-46.5	177.5	-171.3	178.1	-178.9	178.5	0	111.4	R203 V204 A210 R211	R203-K207 WeakPolarHBondContact O-CB 3.23Å; R203-K207 PolarHBondContact O-N 2.92Å; V204-K207 WeakPolarHBondContact O-CB 3.5Å; V204-K207 PolarHBondContact O-N 3.46Å; V204-K207 VanDerWaalsContact O-N 3.09Å; K207-A210 WeakPolarHBondContact O-CB 3.5Å; K207-A210 PolarHBondContact O-N 3.4Å; K207-R211 PolarHBondContact O-N 3.49Å
208	E	82.8	Confident	75.5	Confident	49 Å²	49	86.8 Å²	86.8	23%	0.229	41%	0.406	C	S	.	.	H	α-helix	trans	-68.9	-43.9	177.9	-74.3	-58.5	101.2	0	0	112.6	V204 A210 R211 L212 S280	V204-E208 PolarHBondContact O-N 3.3Å; E208-A210 PolarHBondContact O-N 3.01Å; E208-A210 VanDerWaalsContact O-N 3.15Å; E208-R211 VanDerWaalsContact CD-NE 3.3Å; E208-R211 WeakPolarHBondContact O-CB 3.34Å; E208-R211 PolarHBondContact O-N 3.5Å; E208-R211 WeakPolarHBondContact OE1-CD 3.32Å; E208-R211 IonicContact OE1-NE 2.95Å; E208-R211 PolarHBondContact OE1-NE 3.3Å; E208-R211 IonicContact OE2-CZ 2.75Å; E208-R211 IonicContact OE2-NE 2.71Å; E208-R211 PolarHBondContact OE2-NE 3.21Å; E208-R211 IonicContact OE2-NH2 2.68Å; E208-R211 PolarHBondContact OE2-NH2 3.14Å; E208-L212 WeakPolarHBondContact O-CG 3.31Å; E208-L212 PolarHBondContact O-N 3.37Å; E208-S280 WeakPolarHBondContact CB-OG 3.45Å
209	R	83.1	Confident	72.5	Confident	125 Å²	125	91.4 Å²	91.4	47%	0.472	45%	0.445	S	S	.	.	H	α-helix	trans	-62.4	-20.7	173.2	-167.4	-178.4	-67.3	109.7	-12.4	112.9	E205 K213	E205-R209 WeakPolarHBondContact O-CB 3.41Å; E205-R209 PolarHBondContact O-N 2.98Å; E205-R209 PolarHBondContact O-NH1 3.09Å; E205-R209 VanDerWaalsContact O-NH1 3.09Å; E205-R209 IonicContact OE2-NH2 3.57Å; R209-K213 VanDerWaalsContact O-CD 3.26Å; R209-K213 WeakPolarHBondContact O-CD 3.2Å; R209-K213 VanDerWaalsContact O-CG 3.24Å; R209-K213 WeakPolarHBondContact O-CG 3.49Å
210	A	81.5	Confident	69.6	Low	50 Å²	50	96.7 Å²	96.7	41%	0.413	48%	0.481	S	S	.	.	H	α-helix	trans	-82	-46.9	168.2	0	0	0	0	0	111.9	R206 K207 E208 L212 K213 T214	R206-A210 WeakPolarHBondContact O-CB 3.34Å; R206-A210 PolarHBondContact O-N 3.37Å; K207-A210 WeakPolarHBondContact O-CB 3.5Å; K207-A210 PolarHBondContact O-N 3.4Å; E208-A210 PolarHBondContact O-N 3.01Å; E208-A210 VanDerWaalsContact O-N 3.15Å; A210-L212 VanDerWaalsContact C-N 3.33Å; A210-L212 PolarHBondContact O-N 2.88Å; A210-K213 PolarHBondContact O-N 2.9Å; A210-T214 PolarHBondContact O-N 3.1Å; A210-T214 PolarHBondContact O-OG1 3.33Å
211	R	80.9	Confident	66.7	Low	131 Å²	131	101.9 Å²	101.9	49%	0.494	53%	0.525	S	S	.	.	H	α-helix	trans	-52.6	-49.1	176.5	-171.8	-178.6	67.7	79	1.1	111.7	K207 E208 K213 T214 V215	K207-R211 PolarHBondContact O-N 3.49Å; E208-R211 VanDerWaalsContact CD-NE 3.3Å; E208-R211 WeakPolarHBondContact O-CB 3.34Å; E208-R211 PolarHBondContact O-N 3.5Å; E208-R211 WeakPolarHBondContact OE1-CD 3.32Å; E208-R211 IonicContact OE1-NE 2.95Å; E208-R211 PolarHBondContact OE1-NE 3.3Å; E208-R211 IonicContact OE2-CZ 2.75Å; E208-R211 IonicContact OE2-NE 2.71Å; E208-R211 PolarHBondContact OE2-NE 3.21Å; E208-R211 IonicContact OE2-NH2 2.68Å; E208-R211 PolarHBondContact OE2-NH2 3.14Å; R211-K213 VanDerWaalsContact C-N 3.3Å; R211-K213 PolarHBondContact O-N 3.41Å; R211-T214 PolarHBondContact O-N 3.4Å; R211-V215 PolarHBondContact O-N 2.67Å
212	L	69.6	Low	63.7	Low	60 Å²	60	103.8 Å²	103.8	31%	0.314	56%	0.555	S	S	.	*	H	α-helix	trans	-63.4	-31.2	178.9	-67.3	163.1	0	0	0	113	E208 A210 D278	E208-L212 WeakPolarHBondContact O-CG 3.31Å; E208-L212 PolarHBondContact O-N 3.37Å; A210-L212 VanDerWaalsContact C-N 3.33Å; A210-L212 PolarHBondContact O-N 2.88Å; L212-D278 HydrophobicContact CD1-CB 4.05Å
213	K	71.4	Confident	61	Low	159 Å²	159	106.6 Å²	106.6	69%	0.691	57%	0.574	S	S	*	*	H	α-helix	trans	-75.3	-30.5	174.9	-73.9	174.2	-174.7	179.3	0	113.2	R209 A210 R211	R209-K213 VanDerWaalsContact O-CD 3.26Å; R209-K213 WeakPolarHBondContact O-CD 3.2Å; R209-K213 VanDerWaalsContact O-CG 3.24Å; R209-K213 WeakPolarHBondContact O-CG 3.49Å; A210-K213 PolarHBondContact O-N 2.9Å; R211-K213 VanDerWaalsContact C-N 3.3Å; R211-K213 PolarHBondContact O-N 3.41Å
214	T	59.2	Low	58	Low	103 Å²	103	109.6 Å²	109.6	63%	0.632	60%	0.602	S	S	*	*	H	α-helix	trans	-73.3	-29	-180	-57.6	0	0	0	0	112.7	A210 R211 K216	A210-T214 PolarHBondContact O-N 3.1Å; A210-T214 PolarHBondContact O-OG1 3.33Å; R211-T214 PolarHBondContact O-N 3.4Å; T214-K216 VanDerWaalsContact C-N 3.3Å; T214-K216 PolarHBondContact O-N 3.27Å
215	V	49.3	Very low	55	Low	108 Å²	108	116.2 Å²	116.2	66%	0.655	64%	0.637	S	S	*	*			trans	-84.2	67.7	-177.2	-171.2	0	0	0	0	111.7	R211	R211-V215 PolarHBondContact O-N 2.67Å
216	K	46.9	Very low	52.3	Low	184 Å²	184	118.3 Å²	118.3	80%	0.8	66%	0.657	S	S	*	*			trans	-137.4	63.4	166	-73.4	-163.9	176.4	-177.7	0	112.8	T214	T214-K216 VanDerWaalsContact C-N 3.3Å; T214-K216 PolarHBondContact O-N 3.27Å
217	F	35.6	Very low	49.4	Very low	189 Å²	189	122.6 Å²	122.6	83%	0.829	68%	0.678	S	S	*	*			trans	-99.8	113.9	163.1	-83.2	-88.4	0	0	0	110.1	A219	F217-A219 PolarHBondContact O-N 3.33Å
218	N	34.5	Very low	46.6	Very low	163 Å²	163	123 Å²	123	87%	0.872	69%	0.691	S	S	*	*			trans	-73.9	91.7	170.7	-82.6	5.3	0	0	0	109.8	S220	N218-S220 VanDerWaalsContact C-N 3.34Å; N218-S220 PolarHBondContact O-N 3.48Å
219	A	29.2	Very low	44.8	Very low	98 Å²	98	125.7 Å²	125.7	81%	0.81	71%	0.713	S	S	*	*			trans	-87.2	65	176.9	0	0	0	0	0	112.2	F217 A221	F217-A219 PolarHBondContact O-N 3.33Å; A219-A221 PolarHBondContact O-N 2.75Å
220	S	30.8	Very low	42	Very low	116 Å²	116	127.4 Å²	127.4	81%	0.811	73%	0.73	S	S	*	*			trans	-81.4	108.4	166	-64.2	0	0	0	0	109.4	N218	N218-S220 VanDerWaalsContact C-N 3.34Å; N218-S220 PolarHBondContact O-N 3.48Å
221	A	29.3	Very low	39.4	Very low	110 Å²	110	130.4 Å²	130.4	91%	0.909	74%	0.743	S	S	*	*			trans	-71.7	140.6	179.7	0	0	0	0	0	112.4	A219	A219-A221 PolarHBondContact O-N 2.75Å
222	G	27	Very low	36.8	Very low	79 Å²	79	133 Å²	133	81%	0.814	76%	0.758	S	S	*	*			trans	-144.2	144.6	171	0	0	0	0	0	109.4
223	L	29.8	Very low	34.7	Very low	163 Å²	163	137.1 Å²	137.1	85%	0.853	78%	0.781	S	S	*	*			trans	-111.3	138	-159.4	-172.7	69.9	0	0	0	113.1
224	C	26.5	Very low	32.7	Very low	114 Å²	114	140.5 Å²	140.5	77%	0.77	79%	0.789	S	S	*	*			trans	51.9	154.3	167.6	66.3	0	0	0	0	118
225	D	26.9	Very low	31.4	Very low	150 Å²	150	144.7 Å²	144.7	80%	0.802	80%	0.799	S	S	*	*			cis	-145.7	-170.6	29.5	-171.2	20.8	0	0	0	113
226	S	30.3	Very low	30.5	Very low	88 Å²	88	148.4 Å²	148.4	62%	0.615	81%	0.808	S	S	*	*			trans	-117.7	137.5	-154.7	-42.5	0	0	0	0	114.6
227	K	27.4	Very low	29.5	Very low	208 Å²	208	147.1 Å²	147.1	90%	0.904	81%	0.81	S	S	*	*			trans	-174.2	167.2	135.3	-100	147.3	-164.9	167.4	0	113.8
228	V	26.3	Very low	29.3	Very low	136 Å²	136	145 Å²	145	82%	0.824	81%	0.806	S	S	*	*			trans	-96.6	-176.3	-154.1	-136.5	0	0	0	0	112.6
229	P	44.6	Very low	29	Very low	106 Å²	106	142.4 Å²	142.4	69%	0.688	80%	0.801	S	S	*	*				-123.2	171	-107.9	43.2	-28.6	0	0	0	116.1
230	L	24.9	Very low	28.8	Very low	160 Å²	160	146.9 Å²	146.9	84%	0.838	80%	0.802	S	S	*	*			trans	-167.9	117.9	143	-130.1	64.5	0	0	0	116.2
231	V	27.2	Very low	28.6	Very low	113 Å²	113	147.1 Å²	147.1	69%	0.685	80%	0.799	S	S	*	*				46	134.2	126.9	-177.4	0	0	0	0	122.7
232	K	26	Very low	28.5	Very low	185 Å²	185	152.9 Å²	152.9	80%	0.804	80%	0.797	S	S	*	*			trans	85.3	102.9	152.7	-86	165	-163.5	171.2	0	121.9
233	N	26.1	Very low	28.5	Very low	147 Å²	147	158.9 Å²	158.9	79%	0.786	80%	0.801	S	S	*	*				82.5	145	111.8	-117	-8.7	0	0	0	123.1
234	R	28.1	Very low	28.6	Very low	230 Å²	230	159.1 Å²	159.1	87%	0.868	80%	0.797	S	S	*	*			trans	84.8	130.7	159.1	-69.9	-178.3	173.2	-177.5	-2.1	120.9
235	K	33.8	Very low	28.7	Very low	191 Å²	191	159.7 Å²	159.7	83%	0.83	80%	0.8	S	S	*	*			trans	-51.7	154.8	165.7	-50.4	166.8	177.2	180	0	112.3
236	H	29.6	Very low	28.6	Very low	186 Å²	186	160.9 Å²	160.9	86%	0.861	80%	0.798	S	S	*	*			trans	-156.8	145.4	134.1	-110.4	-76.3	0	0	0	112.3
237	N	26.7	Very low	28.3	Very low	157 Å²	157	167.8 Å²	167.8	84%	0.84	81%	0.812	S	S	*	*			trans	-76	138.6	165.9	-70.8	-6	0	0	0	109.6
238	I	30.4	Very low	28.2	Very low	146 Å²	146	166.2 Å²	166.2	75%	0.749	81%	0.805	S	S	*	*			trans	-138.8	128	157.7	-58.7	-178.2	0	0	0	108.3	F240	I238-F240 HydrophobicContact CG2-CD2 3.6Å; I238-F240 HydrophobicContact CG2-CE2 3.95Å
239	S	28	Very low	28.1	Very low	107 Å²	107	166.6 Å²	166.6	75%	0.748	80%	0.803	S	S	*	*			trans	-109.9	143.5	163.3	61.3	0	0	0	0	108.7
240	F	26.2	Very low	27.2	Very low	193 Å²	193	169.1 Å²	169.1	85%	0.846	80%	0.803	S	S	*	*			trans	-146.5	162.9	166.5	-95.7	-63.4	0	0	0	114.2	I238	I238-F240 HydrophobicContact CG2-CD2 3.6Å; I238-F240 HydrophobicContact CG2-CE2 3.95Å
241	T	25	Very low	27.2	Very low	121 Å²	121	167.4 Å²	167.4	74%	0.742	80%	0.799	S	S	*	*			trans	-96.4	158	-154.2	47.4	0	0	0	0	115.3
242	R	27.4	Very low	27.2	Very low	231 Å²	231	165.3 Å²	165.3	87%	0.872	79%	0.793	S	S	*	*			trans	-8.8	137.6	154.2	-64.8	179.2	173.9	-167.1	-1.8	117.4
243	K	27.9	Very low	27.2	Very low	204 Å²	204	164.4 Å²	164.4	89%	0.887	79%	0.792	S	S	*	*				-176.7	152.3	104.9	-96.4	165.6	-174.7	179.7	0	112.2
244	H	31.4	Very low	27.8	Very low	168 Å²	168	162.7 Å²	162.7	78%	0.778	79%	0.789	S	S	*	*			trans	-85.1	167.3	167.2	-69.9	-88.9	0	0	0	111.1
245	P	29.5	Very low	27.7	Very low	127 Å²	127	160 Å²	160	83%	0.825	79%	0.792	S	S	*	*				-137.9	168.3	103.7	36	-23.2	0	0	0	115.4
246	F	23.1	Very low	27.3	Very low	174 Å²	174	153.8 Å²	153.8	76%	0.763	78%	0.781	S	S	*	*			trans	-91.6	161.2	172.3	-84.6	-111.8	0	0	0	111.7
247	Y	25.5	Very low	27.3	Very low	233 Å²	233	149.7 Å²	149.7	91%	0.914	77%	0.774	S	S	*	*				-161.5	173.9	128.5	-120.9	-85	0	0	0	112.8
248	K	24.4	Very low	27.3	Very low	175 Å²	175	146.7 Å²	146.7	76%	0.761	76%	0.758	S	S	*	*			trans	-118.5	170.3	179.8	-51.1	175	-179.4	175.5	0	109.1
249	N	24.7	Very low	27.4	Very low	144 Å²	144	144.8 Å²	144.8	77%	0.77	76%	0.757	S	S	*	*			cis	-150.2	-148.7	12.1	-150.1	-8.6	0	0	0	107.5
250	K	26.5	Very low	27.7	Very low	160 Å²	160	148.2 Å²	148.2	70%	0.696	76%	0.755	S	S	*	*			cis	-167.6	155.5	3.8	-146.3	-159.3	174.5	-168.3	0	109
251	V	24.9	Very low	28	Very low	124 Å²	124	147.3 Å²	147.3	75%	0.752	75%	0.746	S	S	*	*			trans	51.2	138.9	137	152.1	0	0	0	0	121.2
252	A	25.5	Very low	28.3	Very low	68 Å²	68	149.9 Å²	149.9	56%	0.562	75%	0.754	S	S	*	*			cis	-172.9	167.1	-10.5	0	0	0	0	0	113.2
253	E	25.9	Very low	28.7	Very low	166 Å²	166	146.8 Å²	146.8	78%	0.776	75%	0.754	S	S	*	*			trans	50.1	163.3	148.3	-61.5	-21.8	92.4	0	0	122.5
254	P	39.4	Very low	28.8	Very low	111 Å²	111	144.3 Å²	144.3	72%	0.721	75%	0.746	S	S	*	*			cis	-138.6	161.6	-47.5	39.3	-24.1	0	0	0	114.1
255	D	25.6	Very low	28.7	Very low	175 Å²	175	141.9 Å²	141.9	94%	0.936	74%	0.739	S	S	*	*			trans	-157.7	160	139	-149.3	-14.9	0	0	0	110.4
256	G	26.2	Very low	28.8	Very low	59 Å²	59	142.9 Å²	142.9	61%	0.608	74%	0.743	S	S	*	*			trans	-113.3	142.3	-157	0	0	0	0	0	117.8
257	S	29.1	Very low	29.3	Very low	101 Å²	101	139.1 Å²	139.1	71%	0.706	74%	0.744	S	S	*	*			trans	-178.4	67.7	144.2	34.9	0	0	0	0	111.3	Y260	S257-Y260 PolarHBondContact O-OH 3.15Å
258	D	26.5	Very low	29.8	Very low	93 Å²	93	135 Å²	135	50%	0.497	73%	0.73	S	S	.	*			trans	-104.1	111.6	-179.7	-160.8	5.7	0	0	0	110.7	R261	D258-R261 WeakPolarHBondContact OD2-CD 3.17Å; D258-R261 IonicContact OD2-CZ 3.38Å; D258-R261 IonicContact OD2-NE 3.5Å; D258-R261 IonicContact OD2-NH1 3.77Å; D258-R261 PolarHBondContact OD2-NH1 2.69Å
259	S	33.6	Very low	30	Very low	106 Å²	106	134.9 Å²	134.9	74%	0.741	73%	0.733	S	S	*	*			trans	-138.3	-4.2	177.7	62.9	0	0	0	0	114.5
260	Y	32.8	Very low	30.3	Very low	179 Å²	179	137.4 Å²	137.4	70%	0.702	74%	0.737	S	S	*	*			trans	-106.1	57.8	-174.1	26.4	-110.7	0	0	0	111.5	S257	S257-Y260 PolarHBondContact O-OH 3.15Å
261	R	32.6	Very low	30.2	Very low	174 Å²	174	140.8 Å²	140.8	66%	0.657	75%	0.747	S	S	*	*			trans	-138.6	2.7	-172.8	-108.2	175	173.8	161.5	-1.7	118.1	D258	D258-R261 WeakPolarHBondContact OD2-CD 3.17Å; D258-R261 IonicContact OD2-CZ 3.38Å; D258-R261 IonicContact OD2-NE 3.5Å; D258-R261 IonicContact OD2-NH1 3.77Å; D258-R261 PolarHBondContact OD2-NH1 2.69Å
262	L	31.4	Very low	30.3	Very low	176 Å²	176	140 Å²	140	92%	0.921	75%	0.747	S	S	*	*	S	Bend	trans	-110.2	15.9	-173.3	-68.5	177.4	0	0	0	115.9
263	L	35.4	Very low	30.5	Very low	166 Å²	166	143.5 Å²	143.5	87%	0.869	76%	0.764	S	S	*	*	S	Bend	trans	-128	7.2	-179.1	-94.1	165.2	0	0	0	116.3
264	E	31.1	Very low	30.6	Very low	151 Å²	151	138.5 Å²	138.5	71%	0.706	76%	0.756	S	S	*	*	S	Bend	trans	-101.8	-4	-175.7	-75.3	-159.5	139.3	0	0	116.6
265	N	28.7	Very low	30.3	Very low	118 Å²	118	137.5 Å²	137.5	63%	0.631	75%	0.752	S	S	*	*	S	Bend	trans	-105.7	-1.1	-162.4	-79.7	-30	0	0	0	117.2	K268	N265-K268 PolarHBondContact OD1-NZ 2.84Å
266	T	32.2	Very low	30.9	Very low	148 Å²	148	138.8 Å²	138.8	91%	0.908	75%	0.753	S	S	*	*	S	Bend	trans	-93.8	-3.2	-177.1	-27.6	0	0	0	0	114.4
267	A	33.7	Very low	31.7	Very low	95 Å²	95	142 Å²	142	79%	0.785	76%	0.756	S	S	*	*	S	Bend	trans	-108.1	8.5	-178.6	0	0	0	0	0	114.7	Q269	A267-Q269 PolarHBondContact O-N 2.78Å
268	K	35.1	Very low	32.9	Very low	146 Å²	146	142.8 Å²	142.8	64%	0.635	75%	0.752	S	S	*	*			trans	-91.8	73.7	-177.5	-72.7	172	-173	154	0	112.4	N265	N265-K268 PolarHBondContact OD1-NZ 2.84Å
269	Q	29.5	Very low	34.5	Very low	173 Å²	173	143.3 Å²	143.3	81%	0.808	76%	0.758	S	S	*	*	S	Bend	trans	-126	129.3	156.9	-72.3	-160.1	6.8	0	0	111.3	A267	A267-Q269 PolarHBondContact O-N 2.78Å
270	K	30.2	Very low	36.5	Very low	196 Å²	196	139.5 Å²	139.5	85%	0.852	73%	0.732	S	S	*	*	S	Bend	trans	58.4	53.1	169.2	-59.8	-174	-180	179.1	0	117.7
271	Y	25.5	Very low	38.9	Very low	232 Å²	232	133.5 Å²	133.5	91%	0.91	71%	0.712	S	S	*	*			trans	-126.4	120.5	139.2	-92.9	-89.1	0	0	0	109.7
272	S	25.6	Very low	41.7	Very low	108 Å²	108	125.6 Å²	125.6	76%	0.755	68%	0.683	S	S	*	*			trans	-74.3	146.5	168.9	-62.6	0	0	0	0	109.2	G274	S272-G274 PolarHBondContact O-N 2.83Å
273	P	31.5	Very low	44.6	Very low	141 Å²	141	117.5 Å²	117.5	92%	0.916	64%	0.64	S	S	*	*			trans	-75.6	65.4	175	33	-35.8	0	0	0	111.2
274	G	27.3	Very low	47.2	Very low	60 Å²	60	111.3 Å²	111.3	62%	0.619	61%	0.607	S	S	*	*			trans	-69.9	170.4	155.4	0	0	0	0	0	110.4	S272 Q276	S272-G274 PolarHBondContact O-N 2.83Å; G274-Q276 PolarHBondContact O-N 2.9Å
275	S	33.3	Very low	50.1	Low	90 Å²	90	105.5 Å²	105.5	63%	0.629	58%	0.578	S	S	*	*			trans	-37.1	131.9	178.4	32.9	0	0	0	0	114.5	D277	S275-D277 PolarHBondContact O-N 3.01Å; S275-D277 PolarHBondContact OG-OD2 2.79Å
276	Q	37.2	Very low	53.1	Low	203 Å²	203	99.9 Å²	99.9	95%	0.949	55%	0.549	S	S	*	.			trans	-64.5	97	144	-80.6	-173.4	-66.5	0	0	106.4	G274 D278	G274-Q276 PolarHBondContact O-N 2.9Å; Q276-D278 PolarHBondContact O-N 2.67Å
277	D	43.8	Very low	55.9	Low	126 Å²	126	96.2 Å²	96.2	67%	0.674	52%	0.523	S	S	*	.			trans	-65.8	123.3	163.3	-73.5	-60.4	0	0	0	107.9	S275 V279	S275-D277 PolarHBondContact O-N 3.01Å; S275-D277 PolarHBondContact OG-OD2 2.79Å; D277-V279 PolarHBondContact O-N 2.86Å; D277-V279 VanDerWaalsContact O-N 3.11Å
278	D	53.8	Low	58.6	Low	117 Å²	117	98.1 Å²	98.1	63%	0.626	51%	0.51	S	S	*	.			trans	-60.6	113.7	179.9	-129.4	-24.9	0	0	0	107.9	L212 Q276 S280	L212-D278 HydrophobicContact CD1-CB 4.05Å; Q276-D278 PolarHBondContact O-N 2.67Å; D278-S280 VanDerWaalsContact C-N 3.32Å; D278-S280 PolarHBondContact O-N 3.09Å
279	V	61.3	Low	61.3	Low	105 Å²	105	94.6 Å²	94.6	64%	0.636	50%	0.496	S	S	*	.			trans	-69.8	90.8	-172.6	-179	0	0	0	0	109.1	D277 L281	D277-V279 PolarHBondContact O-N 2.86Å; D277-V279 VanDerWaalsContact O-N 3.11Å; V279-L281 PolarHBondContact O-N 3.24Å
280	S	73.9	Confident	64.3	Low	26 Å²	26	92.3 Å²	92.3	18%	0.182	49%	0.485	C	S	.	.			trans	-72.3	105.7	180	-178.9	0	0	0	0	109.6	E208 D278 S282	E208-S280 WeakPolarHBondContact CB-OG 3.45Å; D278-S280 VanDerWaalsContact C-N 3.32Å; D278-S280 PolarHBondContact O-N 3.09Å; S280-S282 PolarHBondContact O-N 2.91Å; S280-S282 VanDerWaalsContact O-N 3.1Å
281	L	84.4	Confident	67.3	Low	53 Å²	53	83.9 Å²	83.9	28%	0.277	45%	0.449	S	S	.	.			trans	-56.7	116.4	169.5	-59.4	180	0	0	0	109.5	L146 V279	L146-L281 HydrophobicContact CB-CB 3.93Å; L146-L281 HydrophobicContact CB-CD2 4.3Å; L146-L281 HydrophobicContact CD1-CD2 4.24Å; L146-L281 WeakPolarHBondContact O-CB 3.35Å; V279-L281 PolarHBondContact O-N 3.24Å
282	S	90.2	Very high	70.4	Confident	7 Å²	7	80.4 Å²	80.4	5%	0.049	45%	0.446	C	S	.	.			trans	-135.1	-104.1	-179.5	64.4	0	0	0	0	109.9	L146 F147 E205 S280	L146-S282 PolarHBondContact N-O 2.88Å; L146-S282 VanDerWaalsContact N-O 3.08Å; F147-S282 WeakPolarHBondContact CD1-O 3.47Å; F147-S282 VanDerWaalsContact CE1-O 3.32Å; F147-S282 WeakPolarHBondContact CE1-O 3.47Å; E205-S282 PolarHBondContact OE1-OG 2.77Å; S280-S282 PolarHBondContact O-N 2.91Å; S280-S282 VanDerWaalsContact O-N 3.1Å
283	Y	92.3	Very high	73.6	Confident	7 Å²	7	76.8 Å²	76.8	3%	0.027	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	136.4	174.7	-58.8	-79.5	0	0	0	110.1	V143 F147 F164 L170 W181 I198 P199 K201 V204	V143-Y283 HydrophobicContact CB-CD1 4.39Å; V143-Y283 HydrophobicContact CG2-CD1 3.79Å; V143-Y283 HydrophobicContact CG2-CE1 4.46Å; V143-Y283 HydrophobicContact CG2-CG 4.26Å; F147-Y283 HydrophobicContact CE1-CD1 4.27Å; F147-Y283 HydrophobicContact CE1-CD2 4.44Å; F147-Y283 AromaticContact CE1-CE1 3.86Å; F147-Y283 HydrophobicContact CE1-CE1 3.86Å; F147-Y283 HydrophobicContact CE1-CE2 4.07Å; F147-Y283 AromaticContact CE1-CZ 3.78Å; F147-Y283 HydrophobicContact CZ-CE1 4.11Å; F147-Y283 HydrophobicContact CZ-CE2 4.19Å; F147-Y283 AromaticContact CZ-CZ 3.72Å; F164-Y283 HydrophobicContact CE2-CE1 4.19Å; F164-Y283 AromaticContact CZ-CE1 3.84Å; F164-Y283 HydrophobicContact CZ-CE1 3.84Å; F164-Y283 AromaticContact CZ-CZ 4Å; F164-Y283 WeakPolarHBondContact CZ-OH 3.39Å; L170-Y283 HydrophobicContact CD1-CE1 4.01Å; W181-Y283 HydrophobicContact CZ3-CD2 4.05Å; W181-Y283 HydrophobicContact CZ3-CE2 4.37Å; I198-Y283 HydrophobicContact CD1-CE1 4.26Å; P199-Y283 WeakPolarHBondContact O-CE2 2.96Å; P199-Y283 PolarHBondContact O-OH 3.16Å; K201-Y283 HydrophobicContact CB-CD2 3.93Å; V204-Y283 HydrophobicContact CG2-CE2 4.05Å
284	E	91.7	Very high	76.6	Confident	36 Å²	36	70.7 Å²	70.7	17%	0.168	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	131	172	-178.5	-163	-119.7	0	0	108.5	V143 R144 L146 P481	V143-E284 CarbonylContact C-O 3.52Å; V143-E284 WeakPolarHBondContact CA-O 3.38Å; V143-E284 WeakPolarHBondContact CB-O 3.32Å; R144-E284 IonicContact CZ-OE2 2.63Å; R144-E284 PolarHBondContact N-O 3.31Å; R144-E284 IonicContact NE-OE2 3.38Å; R144-E284 PolarHBondContact NE-OE2 2.68Å; R144-E284 VanDerWaalsContact NH2-CD 3.29Å; R144-E284 IonicContact NH2-OE1 2.77Å; R144-E284 PolarHBondContact NH2-OE1 2.77Å; R144-E284 VanDerWaalsContact NH2-OE1 3.15Å; R144-E284 IonicContact NH2-OE2 2.68Å; R144-E284 PolarHBondContact NH2-OE2 2.97Å; R144-E284 PolarHBondContact O-N 2.83Å; R144-E284 VanDerWaalsContact O-N 3.1Å; L146-E284 HydrophobicContact CD1-CB 4.2Å; L146-E284 HydrophobicContact CG-CB 4.49Å; E284-P481 HydrophobicContact CG-CB 4.21Å; E284-P481 WeakPolarHBondContact OE1-CB 3.31Å; E284-P481 VanDerWaalsContact OE1-CG 3.24Å; E284-P481 WeakPolarHBondContact OE1-CG 3.32Å
285	Y	91.2	Very high	79.8	Confident	28 Å²	28	68.5 Å²	68.5	11%	0.11	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	140.7	174	-59.1	-82.8	0	0	0	110	L141 V143 S482 E485	L141-Y285 HydrophobicContact CD1-CD1 4.1Å; L141-Y285 HydrophobicContact CD1-CE1 3.93Å; L141-Y285 HydrophobicContact CD2-CE1 4.25Å; V143-Y285 HydrophobicContact CG1-CD1 3.76Å; V143-Y285 HydrophobicContact CG1-CE1 4.07Å; V143-Y285 HydrophobicContact CG1-CG 4.46Å; Y285-S482 PolarHBondContact O-N 3.24Å; Y285-E485 HydrophobicContact CD2-CG 4.14Å; Y285-E485 HydrophobicContact CE2-CB 4.12Å; Y285-E485 HydrophobicContact CE2-CG 3.53Å; Y285-E485 VanDerWaalsContact CE2-OE1 3.26Å; Y285-E485 WeakPolarHBondContact CE2-OE1 3.23Å; Y285-E485 PolarHBondContact OH-OE1 2.64Å
286	V	91.9	Very high	82.7	Confident	1 Å²	1	64.2 Å²	64.2	1%	0.006	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	146.5	-178.8	-68.6	0	0	0	0	112.9	Y142 R144 I169 W479 I480	Y142-V286 PolarHBondContact O-N 3.29Å; R144-V286 HydrophobicContact CB-CG1 3.78Å; I169-V286 HydrophobicContact CD1-CG2 4.39Å; I169-V286 HydrophobicContact CG2-CG2 4.21Å; V286-W479 HydrophobicContact CB-CB 4.16Å; V286-W479 HydrophobicContact CB-CE3 4.14Å; V286-W479 HydrophobicContact CG1-CB 4.45Å; V286-W479 HydrophobicContact CG2-CB 4.32Å; V286-W479 HydrophobicContact CG2-CD2 4.31Å; V286-W479 HydrophobicContact CG2-CE3 3.62Å; V286-W479 HydrophobicContact CG2-CZ3 4.31Å; V286-I480 CarbonylContact C-O 3.58Å; V286-I480 WeakPolarHBondContact CA-O 3.18Å; V286-I480 WeakPolarHBondContact CB-O 3.4Å
287	L	90.9	Very high	85.5	Confident	70 Å²	70	54.5 Å²	54.5	37%	0.366	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	141.1	170.2	-82.5	167	0	0	0	110.1	W479 I480 L487	L287-W479 WeakPolarHBondContact O-CA 3.24Å; L287-I480 HydrophobicContact CB-CG1 4.13Å; L287-I480 PolarHBondContact N-O 3.06Å; L287-I480 WeakPolarHBondContact O-CG1 3.23Å; L287-I480 PolarHBondContact O-N 2.86Å; L287-L487 HydrophobicContact CD1-CD1 4.2Å; L287-L487 HydrophobicContact CD2-CD1 3.6Å; L287-L487 HydrophobicContact CD2-CD2 3.88Å; L287-L487 HydrophobicContact CD2-CG 4.42Å; L287-L487 HydrophobicContact CG-CD1 3.74Å
288	R	90.4	Very high	88	Confident	135 Å²	135	48.5 Å²	48.5	51%	0.509	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	121.3	170.9	-175.8	173.1	169.3	175.9	-4	109.3	Y477 I478 W479	R288-Y477 HydrophobicContact CG-CD1 4.34Å; R288-I478 CarbonylContact C-O 3.24Å; R288-I478 WeakPolarHBondContact CA-O 3.48Å; R288-W479 HydrophobicContact CB-CD2 4.41Å; R288-W479 HydrophobicContact CB-CE3 3.98Å; R288-W479 HydrophobicContact CB-CH2 3.84Å; R288-W479 HydrophobicContact CB-CZ2 4.24Å; R288-W479 HydrophobicContact CB-CZ3 3.7Å; R288-W479 HydrophobicContact CG-CH2 4.44Å; R288-W479 HydrophobicContact CG-CZ2 4.39Å
289	Q	90.8	Very high	90	Very high	72 Å²	72	43 Å²	43	34%	0.336	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	144.9	174.5	173	173.9	-22.4	0	0	109.9	I291 Y477 I478 I480	Q289-I291 HydrophobicContact CG-CG2 4.37Å; Q289-Y477 CarbonylContact O-C 3.45Å; Q289-Y477 WeakPolarHBondContact O-CA 3.38Å; Q289-I478 HydrophobicContact CB-CG1 4.08Å; Q289-I478 PolarHBondContact N-O 2.87Å; Q289-I478 PolarHBondContact O-N 2.85Å; Q289-I480 HydrophobicContact CB-CD1 4.49Å; Q289-I480 HydrophobicContact CB-CG1 4.34Å
290	E	92.6	Very high	91.6	Very high	126 Å²	126	38.4 Å²	38.4	59%	0.589	19%	0.186	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-91	141.4	170.6	-168.4	161	-175.4	0	0	110.3	P476 Y477	E290-P476 CarbonylContact C-O 3.55Å; E290-P476 VanDerWaalsContact CA-O 3.31Å; E290-P476 WeakPolarHBondContact CA-O 3.42Å; E290-Y477 HydrophobicContact CB-CD1 3.98Å; E290-Y477 HydrophobicContact CB-CE1 3.79Å; E290-Y477 VanDerWaalsContact CD-CE1 3.49Å; E290-Y477 HydrophobicContact CG-CD1 4.15Å; E290-Y477 HydrophobicContact CG-CE1 3.7Å; E290-Y477 PolarHBondContact OE1-OH 2.9Å; E290-Y477 WeakPolarHBondContact OE2-CE1 3.19Å; E290-Y477 PolarHBondContact OE2-OH 2.9Å
291	I	93	Very high	92.5	Very high	18 Å²	18	38.1 Å²	38.1	9%	0.092	19%	0.187	C	C	.	.			trans	-136.9	151.3	180	59.2	165.8	0	0	0	112	Q289 Y293 R295 P476 I478	Q289-I291 HydrophobicContact CG-CG2 4.37Å; I291-Y293 HydrophobicContact CB-CD1 4.08Å; I291-Y293 HydrophobicContact CB-CE1 3.79Å; I291-Y293 HydrophobicContact CD1-CE1 4.42Å; I291-Y293 HydrophobicContact CD1-CE2 4.22Å; I291-Y293 HydrophobicContact CG2-CD1 4.4Å; I291-Y293 HydrophobicContact CG2-CE1 3.62Å; I291-R295 HydrophobicContact CD1-CG 3.57Å; I291-P476 PolarHBondContact N-O 2.99Å; I291-I478 HydrophobicContact CD1-CD1 4.37Å; I291-I478 HydrophobicContact CD1-CG2 3.5Å; I291-I478 HydrophobicContact CG1-CG2 4.03Å; I291-I478 HydrophobicContact CG2-CD1 3.7Å; I291-I478 HydrophobicContact CG2-CG1 4.02Å
292	D	92.1	Very high	92.9	Very high	159 Å²	159	35.9 Å²	35.9	85%	0.85	18%	0.175	S	C	*	.	S	Bend	trans	-110.5	-0.6	-177.9	58.1	-12.6	0	0	0	113.7
293	Y	92.4	Very high	92.8	Very high	33 Å²	33	37.6 Å²	37.6	13%	0.129	18%	0.183	C	C	.	.	S	Bend	trans	-116.5	153.6	-176.8	68	-94	0	0	0	112.8	I291 R295 A382 Q404 L405	I291-Y293 HydrophobicContact CB-CD1 4.08Å; I291-Y293 HydrophobicContact CB-CE1 3.79Å; I291-Y293 HydrophobicContact CD1-CE1 4.42Å; I291-Y293 HydrophobicContact CD1-CE2 4.22Å; I291-Y293 HydrophobicContact CG2-CD1 4.4Å; I291-Y293 HydrophobicContact CG2-CE1 3.62Å; Y293-R295 HydrophobicContact CE2-CG 4.26Å; Y293-R295 PolarHBondContact O-N 2.95Å; Y293-A382 HydrophobicContact CD2-CB 4.08Å; Y293-Q404 PolarHBondContact OH-O 2.84Å; Y293-Q404 VanDerWaalsContact OH-O 3.08Å; Y293-L405 HydrophobicContact CD2-CD2 3.95Å; Y293-L405 HydrophobicContact CE2-CD2 3.77Å; Y293-L405 WeakPolarHBondContact CE2-O 3.43Å; Y293-L405 PolarHBondContact OH-O 3.49Å
294	A	93.7	Very high	92.7	Very high	12 Å²	12	38.4 Å²	38.4	10%	0.099	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-79.6	116.4	174.3	0	0	0	0	0	111.2	A382 G385 K386	A294-A382 PolarHBondContact N-O 2.77Å; A294-A382 WeakPolarHBondContact O-CA 3.47Å; A294-A382 WeakPolarHBondContact O-CB 3.24Å; A294-G385 VanDerWaalsContact CB-C 3.44Å; A294-K386 VanDerWaalsContact CB-C 3.43Å
295	R	95	Very high	92.7	Very high	14 Å²	14	40.6 Å²	40.6	5%	0.053	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-58.5	137.5	-174.9	-57.9	171.9	72.8	-171.6	-7.3	112.5	I291 Y293 H387 H406 P407 I408 H473 I478	I291-R295 HydrophobicContact CD1-CG 3.57Å; Y293-R295 HydrophobicContact CE2-CG 4.26Å; Y293-R295 PolarHBondContact O-N 2.95Å; R295-H387 PolarHBondContact O-ND1 2.65Å; R295-H406 VanDerWaalsContact CZ-O 3.29Å; R295-H406 PolarHBondContact NE-O 3.45Å; R295-H406 PolarHBondContact NH2-O 3.03Å; R295-P407 PolarHBondContact NH2-O 3.3Å; R295-I408 HydrophobicContact CB-CD1 4.16Å; R295-I408 HydrophobicContact CB-CG1 3.99Å; R295-H473 VanDerWaalsContact CD-O 3.23Å; R295-H473 WeakPolarHBondContact CD-O 3.31Å; R295-H473 PolarHBondContact NH1-O 2.75Å; R295-H473 VanDerWaalsContact NH1-O 3.09Å; R295-I478 HydrophobicContact CG-CG2 4.4Å
296	P	94.9	Very high	92.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-64.3	147.9	172.6	-19.3	33	0	0	0	111.4	V378 C388 L390 L405 P407 I408	P296-V378 HydrophobicContact CB-CG1 3.8Å; P296-V378 HydrophobicContact CG-CG1 3.33Å; P296-C388 CarbonylContact C-O 3.55Å; P296-C388 WeakPolarHBondContact CA-O 3.31Å; P296-L390 HydrophobicContact CB-CD1 3.92Å; P296-L405 HydrophobicContact CG-CB 4.24Å; P296-L405 HydrophobicContact CG-CD1 4.39Å; P296-L405 HydrophobicContact CG-CD2 4.3Å; P296-P407 HydrophobicContact CB-CB 4.28Å; P296-P407 CarbonylContact O-C 3.5Å; P296-P407 WeakPolarHBondContact O-CA 3.43Å; P296-P407 VanDerWaalsContact O-CB 3.32Å; P296-P407 WeakPolarHBondContact O-CB 3.28Å; P296-I408 PolarHBondContact O-N 2.95Å
297	V	96	Very high	92.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	125.7	-178.4	172.4	0	0	0	0	109.3	I299 F319 H387 C388 L390 I408 I470	V297-I299 HydrophobicContact CG1-CD1 4.16Å; V297-I299 HydrophobicContact CG1-CG1 3.88Å; V297-F319 HydrophobicContact CG2-CE1 4.45Å; V297-H387 HydrophobicContact CG2-CB 4Å; V297-C388 PolarHBondContact N-O 3.38Å; V297-L390 PolarHBondContact O-N 2.94Å; V297-I408 WeakPolarHBondContact CA-O 3.44Å; V297-I408 HydrophobicContact CG2-CB 4.27Å; V297-I408 HydrophobicContact CG2-CD1 4.34Å; V297-I470 HydrophobicContact CG1-CD1 3.86Å; V297-I470 HydrophobicContact CG1-CG1 4.27Å; V297-I470 HydrophobicContact CG2-CD1 4.3Å; V297-I470 HydrophobicContact CG2-CG1 4.19Å; V297-I470 HydrophobicContact CG2-CG2 4.33Å
298	I	95.6	Very high	92.8	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	119.5	174	-69.1	170.7	0	0	0	107.8	L300 L390 V392 A396 I397 L400 P407 I408 A409 I410	I298-L300 HydrophobicContact CG2-CD1 4.46Å; I298-L300 HydrophobicContact CG2-CD2 3.84Å; I298-L300 HydrophobicContact CG2-CG 3.87Å; I298-L390 HydrophobicContact CD1-CD1 4.33Å; I298-L390 HydrophobicContact CG1-CB 3.87Å; I298-L390 HydrophobicContact CG1-CD1 4.15Å; I298-V392 HydrophobicContact CD1-CG2 3.71Å; I298-V392 HydrophobicContact CG1-CG2 3.89Å; I298-V392 HydrophobicContact CG2-CG2 4.35Å; I298-A396 HydrophobicContact CD1-CB 4.47Å; I298-I397 HydrophobicContact CD1-CG1 3.86Å; I298-I397 HydrophobicContact CG2-CG1 4.37Å; I298-L400 HydrophobicContact CD1-CD1 3.6Å; I298-P407 HydrophobicContact CD1-CB 4.37Å; I298-P407 HydrophobicContact CD1-CG 4.41Å; I298-I408 PolarHBondContact N-O 3.42Å; I298-A409 CarbonylContact O-C 3.48Å; I298-A409 WeakPolarHBondContact O-CA 3.34Å; I298-I410 PolarHBondContact O-N 3.3Å
299	I	95.8	Very high	92.8	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	117.2	176.2	-56	-175	0	0	0	108.5	V297 K304 I307 L311 I410 I412 C466	V297-I299 HydrophobicContact CG1-CD1 4.16Å; V297-I299 HydrophobicContact CG1-CG1 3.88Å; I299-K304 HydrophobicContact CG2-CB 4.11Å; I299-K304 WeakPolarHBondContact O-CB 3.13Å; I299-K304 VanDerWaalsContact O-CD 3.31Å; I299-K304 WeakPolarHBondContact O-CD 3.12Å; I299-I307 HydrophobicContact CD1-CG2 3.56Å; I299-L311 HydrophobicContact CD1-CD1 3.76Å; I299-I410 HydrophobicContact CG1-CB 4.45Å; I299-I412 HydrophobicContact CG2-CD1 3.61Å; I299-I412 HydrophobicContact CG2-CG1 4.06Å; I299-C466 HydrophobicContact CD1-CB 4.48Å
300	L	95.4	Very high	92.9	Very high	9 Å²	9	37.7 Å²	37.7	5%	0.047	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	160.2	178.5	-58.4	-171.3	0	0	0	111.2	I298 V392 I397 I410 L411 I412 L442 F450	I298-L300 HydrophobicContact CG2-CD1 4.46Å; I298-L300 HydrophobicContact CG2-CD2 3.84Å; I298-L300 HydrophobicContact CG2-CG 3.87Å; L300-V392 WeakPolarHBondContact CD2-O 3.05Å; L300-I397 HydrophobicContact CD1-CD1 4.38Å; L300-I410 PolarHBondContact N-O 2.97Å; L300-L411 HydrophobicContact CB-CD1 4.02Å; L300-I412 PolarHBondContact O-N 3.35Å; L300-L442 HydrophobicContact CB-CD1 4.24Å; L300-L442 HydrophobicContact CD1-CD2 4.14Å; L300-F450 HydrophobicContact CB-CE1 4.37Å; L300-F450 HydrophobicContact CD1-CE1 3.94Å; L300-F450 HydrophobicContact CD1-CZ 4.1Å; L300-F450 HydrophobicContact CG-CE1 4.37Å
301	G	93.2	Very high	92.9	Very high	20 Å²	20	31.7 Å²	31.7	21%	0.206	16%	0.163	C	C	.	.	S	Bend	trans	106.1	-163.5	177.8	0	0	0	0	0	113.4
302	P	91.4	Very high	92.7	Very high	6 Å²	6	33.3 Å²	33.3	4%	0.039	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	149.5	178.8	-17	31.8	0	0	0	112	K304 I412 A414 L420 I435 A439	P302-K304 PolarHBondContact O-N 3.14Å; P302-I412 WeakPolarHBondContact CD-O 3.47Å; P302-I412 VanDerWaalsContact O-CD1 3.28Å; P302-I412 WeakPolarHBondContact O-CD1 3.4Å; P302-A414 HydrophobicContact CG-CB 4.4Å; P302-L420 HydrophobicContact CB-CD2 3.55Å; P302-L420 HydrophobicContact CG-CD1 4.22Å; P302-L420 HydrophobicContact CG-CD2 3.63Å; P302-I435 HydrophobicContact CB-CG2 3.83Å; P302-I435 HydrophobicContact CG-CG2 3.82Å; P302-A439 HydrophobicContact CG-CB 4.42Å
303	M	88.4	Confident	92.6	Very high	43 Å²	43	29.6 Å²	29.6	21%	0.212	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	5.8	174.4	-49.1	-175.2	87	0	0	116.7	D305 K306 I307 M423 L459	M303-D305 PolarHBondContact O-N 3.37Å; M303-K306 PolarHBondContact O-N 2.7Å; M303-K306 VanDerWaalsContact O-N 3.09Å; M303-I307 PolarHBondContact O-N 3.34Å; M303-M423 HydrophobicContact SD-CB 4.04Å; M303-M423 HydrophobicContact SD-SD 4.26Å; M303-L459 HydrophobicContact CB-CD1 4.22Å; M303-L459 HydrophobicContact CE-CB 4.18Å; M303-L459 HydrophobicContact CE-CD1 3.97Å; M303-L459 HydrophobicContact CE-CD2 4.42Å; M303-L459 HydrophobicContact CE-CG 4.42Å; M303-L459 HydrophobicContact SD-CD1 4.24Å
304	K	91.2	Very high	92.5	Very high	24 Å²	24	32.5 Å²	32.5	10%	0.104	18%	0.178	C	C	.	.	H	α-helix	trans	-47.5	-37	-178.7	69.1	166.7	-171.2	63.7	0	113.8	I299 P302 K306 I307 N308 D391	I299-K304 HydrophobicContact CG2-CB 4.11Å; I299-K304 WeakPolarHBondContact O-CB 3.13Å; I299-K304 VanDerWaalsContact O-CD 3.31Å; I299-K304 WeakPolarHBondContact O-CD 3.12Å; P302-K304 PolarHBondContact O-N 3.14Å; K304-K306 PolarHBondContact O-N 2.65Å; K304-I307 PolarHBondContact O-N 2.92Å; K304-N308 WeakPolarHBondContact O-CB 3.38Å; K304-N308 PolarHBondContact O-N 2.86Å; K304-N308 PolarHBondContact O-OD1 2.94Å; K304-D391 WeakPolarHBondContact CE-OD1 3.45Å; K304-D391 IonicContact NZ-OD1 3.72Å; K304-D391 PolarHBondContact NZ-OD1 2.8Å; K304-D391 IonicContact NZ-OD2 2.66Å; K304-D391 PolarHBondContact NZ-OD2 3.12Å
305	D	90.5	Very high	92.4	Very high	82 Å²	82	34.7 Å²	34.7	44%	0.439	19%	0.185	S	C	.	.	H	α-helix	trans	-64.6	-45.1	-173.8	-44.9	-69.1	0	0	0	110.5	M303 I307 N308 E309	M303-D305 PolarHBondContact O-N 3.37Å; D305-I307 PolarHBondContact O-N 2.95Å; D305-N308 PolarHBondContact O-N 2.77Å; D305-E309 WeakPolarHBondContact O-CB 3.48Å; D305-E309 WeakPolarHBondContact O-CG 3.25Å; D305-E309 PolarHBondContact O-N 2.79Å
306	K	91.4	Very high	92	Very high	81 Å²	81	37.5 Å²	37.5	35%	0.352	21%	0.205	S	C	.	.	H	α-helix	trans	-70	-33.4	179.6	-166.1	72.6	-142	90.4	0	112.2	M303 K304 E309 N310 L459	M303-K306 PolarHBondContact O-N 2.7Å; M303-K306 VanDerWaalsContact O-N 3.09Å; K304-K306 PolarHBondContact O-N 2.65Å; K306-E309 WeakPolarHBondContact CD-OE2 3.45Å; K306-E309 WeakPolarHBondContact CE-OE2 3.3Å; K306-E309 IonicContact NZ-OE2 3.13Å; K306-E309 PolarHBondContact NZ-OE2 2.69Å; K306-N310 WeakPolarHBondContact CE-OD1 3.2Å; K306-N310 PolarHBondContact NZ-OD1 2.92Å; K306-N310 WeakPolarHBondContact O-CB 3.4Å; K306-N310 PolarHBondContact O-N 2.73Å; K306-N310 VanDerWaalsContact O-N 3.09Å; K306-N310 PolarHBondContact O-OD1 3.47Å; K306-L459 HydrophobicContact CG-CD2 3.76Å
307	I	92.8	Very high	91.7	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-65.3	-50.1	172.6	-58.7	-64.7	0	0	0	110.1	I299 M303 K304 D305 E309 N310 L311 I412 L459 I462 Y463 C466	I299-I307 HydrophobicContact CD1-CG2 3.56Å; M303-I307 PolarHBondContact O-N 3.34Å; K304-I307 PolarHBondContact O-N 2.92Å; D305-I307 PolarHBondContact O-N 2.95Å; I307-E309 PolarHBondContact O-N 3.12Å; I307-N310 PolarHBondContact O-N 3.37Å; I307-L311 HydrophobicContact CG2-CD1 4.18Å; I307-L311 HydrophobicContact CG2-CG 4.43Å; I307-L311 WeakPolarHBondContact O-CG 2.79Å; I307-L311 PolarHBondContact O-N 3.05Å; I307-I412 HydrophobicContact CG1-CD1 4.06Å; I307-L459 HydrophobicContact CD1-CD1 3.6Å; I307-L459 HydrophobicContact CG1-CD1 4.28Å; I307-I462 HydrophobicContact CD1-CG2 3.98Å; I307-I462 HydrophobicContact CG1-CG2 4.38Å; I307-Y463 HydrophobicContact CD1-CD2 3.95Å; I307-Y463 HydrophobicContact CD1-CG 4.4Å; I307-Y463 HydrophobicContact CG2-CD2 4.19Å; I307-C466 HydrophobicContact CG2-CB 4.28Å
308	N	92.1	Very high	91.3	Very high	13 Å²	13	48 Å²	48	7%	0.07	26%	0.257	C	S	.	.	H	α-helix	trans	-59.3	-47	179.1	-71.1	-6.1	0	0	0	111.7	K304 D305 N310 L311 I312 V389	K304-N308 WeakPolarHBondContact O-CB 3.38Å; K304-N308 PolarHBondContact O-N 2.86Å; K304-N308 PolarHBondContact O-OD1 2.94Å; D305-N308 PolarHBondContact O-N 2.77Å; N308-N310 PolarHBondContact O-N 2.81Å; N308-L311 PolarHBondContact O-N 2.94Å; N308-I312 WeakPolarHBondContact O-CD1 2.94Å; N308-I312 WeakPolarHBondContact O-CG1 3.42Å; N308-I312 PolarHBondContact O-N 3.43Å; N308-V389 HydrophobicContact CB-CG1 3.79Å
309	E	90.7	Very high	91.1	Very high	111 Å²	111	48.3 Å²	48.3	52%	0.519	26%	0.258	S	S	.	.	H	α-helix	trans	-54.6	-49.1	172.9	-76.7	172.9	-171.8	0	0	111.9	D305 K306 I307 I312 A313	D305-E309 WeakPolarHBondContact O-CB 3.48Å; D305-E309 WeakPolarHBondContact O-CG 3.25Å; D305-E309 PolarHBondContact O-N 2.79Å; K306-E309 WeakPolarHBondContact CD-OE2 3.45Å; K306-E309 WeakPolarHBondContact CE-OE2 3.3Å; K306-E309 IonicContact NZ-OE2 3.13Å; K306-E309 PolarHBondContact NZ-OE2 2.69Å; I307-E309 PolarHBondContact O-N 3.12Å; E309-I312 PolarHBondContact O-N 3.47Å; E309-A313 VanDerWaalsContact O-CB 3.29Å; E309-A313 WeakPolarHBondContact O-CB 3.39Å; E309-A313 PolarHBondContact O-N 3.1Å
310	N	92.8	Very high	90.4	Very high	40 Å²	40	48.9 Å²	48.9	21%	0.214	26%	0.264	C	S	.	.	H	α-helix	trans	-66.3	-41.4	-177.1	-76.2	8.2	0	0	0	112.1	K306 I307 N308 I312 A313 E314 Y463	K306-N310 WeakPolarHBondContact CE-OD1 3.2Å; K306-N310 PolarHBondContact NZ-OD1 2.92Å; K306-N310 WeakPolarHBondContact O-CB 3.4Å; K306-N310 PolarHBondContact O-N 2.73Å; K306-N310 VanDerWaalsContact O-N 3.09Å; K306-N310 PolarHBondContact O-OD1 3.47Å; I307-N310 PolarHBondContact O-N 3.37Å; N308-N310 PolarHBondContact O-N 2.81Å; N310-I312 PolarHBondContact O-N 2.81Å; N310-A313 PolarHBondContact O-N 3.13Å; N310-E314 WeakPolarHBondContact O-CB 3.29Å; N310-E314 PolarHBondContact O-N 2.97Å; N310-Y463 HydrophobicContact CB-CD2 3.97Å; N310-Y463 HydrophobicContact CB-CE2 3.36Å; N310-Y463 PolarHBondContact O-OH 3.42Å
311	L	91.8	Very high	89.5	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-58.6	-46.9	177.5	-71.7	174.5	0	0	0	111.5	I299 I307 N308 F315 F319 Y463 I470	I299-L311 HydrophobicContact CD1-CD1 3.76Å; I307-L311 HydrophobicContact CG2-CD1 4.18Å; I307-L311 HydrophobicContact CG2-CG 4.43Å; I307-L311 WeakPolarHBondContact O-CG 2.79Å; I307-L311 PolarHBondContact O-N 3.05Å; N308-L311 PolarHBondContact O-N 2.94Å; L311-F315 PolarHBondContact O-N 3.08Å; L311-F315 VanDerWaalsContact O-N 3.13Å; L311-F319 HydrophobicContact CB-CD2 3.96Å; L311-F319 HydrophobicContact CB-CE2 4.15Å; L311-F319 HydrophobicContact CB-CG 4.18Å; L311-F319 HydrophobicContact CD1-CE1 4.49Å; L311-F319 HydrophobicContact CD2-CE2 3.86Å; L311-F319 HydrophobicContact CD2-CZ 3.92Å; L311-F319 VanDerWaalsContact O-CD2 3.27Å; L311-F319 WeakPolarHBondContact O-CD2 3.39Å; L311-Y463 HydrophobicContact CD2-CE2 3.74Å; L311-Y463 HydrophobicContact CG-CE2 3.89Å; L311-I470 HydrophobicContact CD1-CD1 3.83Å; L311-I470 HydrophobicContact CD2-CD1 4.4Å
312	I	89.1	Confident	88.1	Confident	52 Å²	52	50 Å²	50	27%	0.267	27%	0.27	S	S	.	.	H	α-helix	trans	-68.9	-37.1	-179.4	-62.1	162.2	0	0	0	111.2	N308 E309 N310 P316 F319 V389	N308-I312 WeakPolarHBondContact O-CD1 2.94Å; N308-I312 WeakPolarHBondContact O-CG1 3.42Å; N308-I312 PolarHBondContact O-N 3.43Å; E309-I312 PolarHBondContact O-N 3.47Å; N310-I312 PolarHBondContact O-N 2.81Å; I312-P316 WeakPolarHBondContact O-CA 3.14Å; I312-F319 HydrophobicContact CG1-CB 4.31Å; I312-V389 HydrophobicContact CD1-CB 4.2Å; I312-V389 HydrophobicContact CD1-CG1 4.39Å; I312-V389 HydrophobicContact CG1-CB 4.38Å; I312-V389 HydrophobicContact CG1-CG2 4.18Å
313	A	89.9	Confident	86.3	Confident	80 Å²	80	53.9 Å²	53.9	66%	0.661	29%	0.293	S	S	*	.	H	α-helix	trans	-76	-36.3	-179.5	0	0	0	0	0	114	E309 N310	E309-A313 VanDerWaalsContact O-CB 3.29Å; E309-A313 WeakPolarHBondContact O-CB 3.39Å; E309-A313 PolarHBondContact O-N 3.1Å; N310-A313 PolarHBondContact O-N 3.13Å
314	E	91.8	Very high	84.5	Confident	95 Å²	95	54 Å²	54	44%	0.444	30%	0.297	S	S	.	.	H	α-helix	trans	-80.2	-35.7	-179.8	-165.3	-177.9	137.7	0	0	112	N310 Y463 K467	N310-E314 WeakPolarHBondContact O-CB 3.29Å; N310-E314 PolarHBondContact O-N 2.97Å; E314-Y463 VanDerWaalsContact OE2-CE1 3.3Å; E314-Y463 WeakPolarHBondContact OE2-CE1 3.36Å; E314-Y463 PolarHBondContact OE2-OH 2.87Å; E314-K467 IonicContact OE1-NZ 3.93Å; E314-K467 PolarHBondContact OE1-NZ 3.2Å
315	F	89.7	Confident	82.8	Confident	58 Å²	58	53.6 Å²	53.6	25%	0.254	30%	0.297	S	S	.	.			trans	-132.9	67.6	-179.7	-51.1	-80	0	0	0	113.3	L311 D317 K318 F319 K467	L311-F315 PolarHBondContact O-N 3.08Å; L311-F315 VanDerWaalsContact O-N 3.13Å; F315-D317 PolarHBondContact O-N 3Å; F315-K318 HydrophobicContact CB-CB 3.94Å; F315-K318 HydrophobicContact CB-CD 4.47Å; F315-K318 HydrophobicContact CB-CG 4.36Å; F315-K318 PolarHBondContact O-N 3.18Å; F315-F319 HydrophobicContact CB-CD2 3.92Å; F315-F319 HydrophobicContact CB-CE2 4.21Å; F315-F319 HydrophobicContact CD2-CE2 4.2Å; F315-F319 PolarHBondContact O-N 2.81Å; F315-K467 HydrophobicContact CE2-CD 4.3Å; F315-K467 VanDerWaalsContact CE2-CE 3.42Å; F315-K467 VanDerWaalsContact CE2-NZ 3.27Å
316	P	87.7	Confident	81.6	Confident	73 Å²	73	52.4 Å²	52.4	47%	0.474	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-15.1	177	26.7	-36.3	0	0	0	113.6	I312 K386	I312-P316 WeakPolarHBondContact O-CA 3.14Å; P316-K386 PolarHBondContact O-NZ 2.7Å
317	D	87.8	Confident	80.8	Confident	133 Å²	133	49 Å²	49	71%	0.711	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-23	174	-69.7	-42.5	0	0	0	114.9	F315 K386	F315-D317 PolarHBondContact O-N 3Å; D317-K386 VanDerWaalsContact O-CE 3.23Å; D317-K386 WeakPolarHBondContact O-CE 3.45Å; D317-K386 IonicContact OD1-NZ 3.51Å
318	K	89.3	Confident	80.2	Confident	86 Å²	86	49 Å²	49	37%	0.374	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-39.5	172.6	-76.4	-171.5	167.6	-172.1	0	112.6	F315 K386 H387 D471	F315-K318 HydrophobicContact CB-CB 3.94Å; F315-K318 HydrophobicContact CB-CD 4.47Å; F315-K318 HydrophobicContact CB-CG 4.36Å; F315-K318 PolarHBondContact O-N 3.18Å; K318-K386 CarbonylContact O-C 3.47Å; K318-K386 WeakPolarHBondContact O-CA 3.46Å; K318-H387 PolarHBondContact O-N 2.82Å; K318-D471 IonicContact NZ-OD1 3.49Å; K318-D471 PolarHBondContact NZ-OD1 2.85Å; K318-D471 IonicContact NZ-OD2 2.75Å
319	F	89.4	Confident	79.6	Confident	7 Å²	7	49.5 Å²	49.5	3%	0.031	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	137.9	-175.2	-61.7	-74.4	0	0	0	111.1	V297 L311 I312 F315 H387 V389 I470	V297-F319 HydrophobicContact CG2-CE1 4.45Å; L311-F319 HydrophobicContact CB-CD2 3.96Å; L311-F319 HydrophobicContact CB-CE2 4.15Å; L311-F319 HydrophobicContact CB-CG 4.18Å; L311-F319 HydrophobicContact CD1-CE1 4.49Å; L311-F319 HydrophobicContact CD2-CE2 3.86Å; L311-F319 HydrophobicContact CD2-CZ 3.92Å; L311-F319 VanDerWaalsContact O-CD2 3.27Å; L311-F319 WeakPolarHBondContact O-CD2 3.39Å; I312-F319 HydrophobicContact CG1-CB 4.31Å; F315-F319 HydrophobicContact CB-CD2 3.92Å; F315-F319 HydrophobicContact CB-CE2 4.21Å; F315-F319 HydrophobicContact CD2-CE2 4.2Å; F315-F319 PolarHBondContact O-N 2.81Å; F319-H387 WeakPolarHBondContact CA-O 3.45Å; F319-H387 HydrophobicContact CD1-CB 3.68Å; F319-H387 HydrophobicContact CE1-CB 3.91Å; F319-V389 HydrophobicContact CB-CG2 4.04Å; F319-V389 HydrophobicContact CD1-CG2 3.65Å; F319-V389 HydrophobicContact CG-CG2 4.14Å; F319-I470 HydrophobicContact CE1-CD1 4.11Å; F319-I470 HydrophobicContact CE1-CG2 3.94Å; F319-I470 HydrophobicContact CZ-CD1 4.19Å; F319-I470 HydrophobicContact CZ-CG2 3.94Å
320	G	81.9	Confident	79.3	Confident	13 Å²	13	45.2 Å²	45.2	13%	0.134	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	146.9	162.4	0	0	0	0	0	109.5	H387 C388 V389	G320-H387 PolarHBondContact N-O 2.97Å; G320-C388 CarbonylContact O-C 3.57Å; G320-C388 WeakPolarHBondContact O-CA 3.34Å; G320-V389 PolarHBondContact O-N 2.9Å
321	S	76.1	Confident	78.8	Confident	48 Å²	48	48.1 Å²	48.1	34%	0.336	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	148.6	152.5	-166.3	0	0	0	0	108.1	V323	S321-V323 PolarHBondContact O-N 3.09Å; S321-V323 PolarHBondContact OG-N 2.64Å
322	C	64.9	Low	78.6	Confident	4 Å²	4	53.2 Å²	53.2	3%	0.027	30%	0.3	C	S	.	.	S	Bend	trans	-77.6	30.5	163.1	-73.9	0	0	0	0	112	P324 T373 C388 L390	C322-P324 CarbonylContact C-O 3.54Å; C322-P324 CarbonylContact O-C 3.56Å; C322-T373 HydrophobicContact CB-CG2 4.49Å; C322-C388 WeakPolarHBondContact CB-SG 3.42Å; C322-C388 PolarHBondContact N-SG 2.97Å; C322-C388 WeakPolarHBondContact SG-CB 3.45Å; C322-C388 CovalentContact SG-SG 2.03Å; C322-C388 PolarHBondContact SG-SG 3.09Å; C322-L390 HydrophobicContact CB-CD2 4.01Å
323	V	52.8	Low	78.4	Confident	88 Å²	88	56.6 Å²	56.6	53%	0.533	31%	0.31	S	S	.	.			trans	-112.5	96.2	166.6	179.3	0	0	0	0	106.4	S321	S321-V323 PolarHBondContact O-N 3.09Å; S321-V323 PolarHBondContact OG-N 2.64Å
324	P	50.9	Low	78	Confident	45 Å²	45	61.3 Å²	61.3	29%	0.292	32%	0.324	S	S	.	.	S	Bend	cis	-79.2	169.7	-7.7	38.2	-39.2	0	0	0	112	C322 Q340	C322-P324 CarbonylContact C-O 3.54Å; C322-P324 CarbonylContact O-C 3.56Å; P324-Q340 VanDerWaalsContact CB-O 3.32Å; P324-Q340 WeakPolarHBondContact CB-O 3.24Å; P324-Q340 VanDerWaalsContact CD-O 3.31Å; P324-Q340 WeakPolarHBondContact CD-O 3.17Å; P324-Q340 VanDerWaalsContact CG-O 3.28Å; P324-Q340 WeakPolarHBondContact CG-O 3.44Å
325	P	56.3	Low	77.5	Confident	16 Å²	16	64.3 Å²	64.3	10%	0.104	33%	0.332	C	S	.	.			cis	-119.7	108.2	9	22.4	-0.4	0	0	0	113.2	S377	P325-S377 WeakPolarHBondContact O-CB 3Å; P325-S377 PolarHBondContact O-OG 2.79Å
326	Q	64.6	Low	77.2	Confident	57 Å²	57	62 Å²	62	27%	0.266	32%	0.322	S	S	.	.			trans	-89	134.9	161.9	-67.1	-172.1	1.6	0	0	109.7	Y342 L343 G372	Q326-Y342 HydrophobicContact CB-CD1 3.95Å; Q326-Y342 HydrophobicContact CB-CE1 4.16Å; Q326-Y342 CarbonylContact O-C 3.59Å; Q326-Y342 VanDerWaalsContact O-CA 3.28Å; Q326-Y342 WeakPolarHBondContact O-CA 3.38Å; Q326-Y342 WeakPolarHBondContact O-CB 3.47Å; Q326-Y342 WeakPolarHBondContact O-CD1 3.3Å; Q326-L343 PolarHBondContact O-N 2.99Å; Q326-G372 CarbonylContact C-O 3.6Å; Q326-G372 VanDerWaalsContact CA-O 3.3Å; Q326-G372 WeakPolarHBondContact CA-O 3.24Å; Q326-G372 WeakPolarHBondContact CB-O 3.41Å
327	D	75.1	Confident	76.7	Confident	11 Å²	11	61.8 Å²	61.8	6%	0.059	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	136.2	178.3	-48.1	-96	0	0	0	109.5	L343 V345 M351 F360 Y371 G372 S374	D327-L343 WeakPolarHBondContact CA-O 3.27Å; D327-L343 WeakPolarHBondContact OD1-CD2 3.4Å; D327-V345 HydrophobicContact CB-CG2 3.96Å; D327-M351 HydrophobicContact CB-CE 4.07Å; D327-M351 WeakPolarHBondContact O-CE 3.26Å; D327-F360 HydrophobicContact CB-CE1 3.69Å; D327-F360 HydrophobicContact CB-CZ 3.68Å; D327-F360 VanDerWaalsContact OD2-CE1 3.23Å; D327-F360 WeakPolarHBondContact OD2-CE1 3.36Å; D327-Y371 CarbonylContact O-C 3.22Å; D327-Y371 WeakPolarHBondContact O-CA 3.25Å; D327-G372 PolarHBondContact N-O 2.64Å; D327-G372 PolarHBondContact O-N 3.24Å; D327-S374 VanDerWaalsContact OD2-CB 3.26Å; D327-S374 WeakPolarHBondContact OD2-CB 3.38Å; D327-S374 PolarHBondContact OD2-N 2.88Å
328	T	79.4	Confident	76.3	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	146.4	174.4	-170.3	0	0	0	0	113.6	R330 Y342 L343 F344 V345 L370 Y371	T328-R330 VanDerWaalsContact C-N 3.27Å; T328-R330 HydrophobicContact CG2-CB 4.12Å; T328-R330 WeakPolarHBondContact OG1-CB 3.27Å; T328-R330 PolarHBondContact OG1-N 3.34Å; T328-R330 VanDerWaalsContact OG1-N 3.17Å; T328-Y342 HydrophobicContact CG2-CD1 3.89Å; T328-Y342 HydrophobicContact CG2-CG 3.83Å; T328-L343 PolarHBondContact N-O 2.66Å; T328-F344 HydrophobicContact CG2-CD1 3.62Å; T328-F344 HydrophobicContact CG2-CE1 3.71Å; T328-V345 PolarHBondContact O-N 3.08Å; T328-L370 VanDerWaalsContact CA-O 3.25Å; T328-L370 WeakPolarHBondContact CA-O 3.43Å; T328-L370 WeakPolarHBondContact CB-O 3.46Å; T328-L370 PolarHBondContact OG1-O 3.02Å; T328-Y371 WeakPolarHBondContact OG1-CD1 3.16Å; T328-Y371 VanDerWaalsContact OG1-CE1 3.29Å; T328-Y371 WeakPolarHBondContact OG1-CE1 3.32Å
329	T	79.5	Confident	75.4	Confident	22 Å²	22	57.3 Å²	57.3	14%	0.135	31%	0.308	C	S	.	.			trans	-82.4	-4.4	170.3	65.2	0	0	0	0	113	R348 M351 L370	T329-R348 HydrophobicContact CG2-CB 3.99Å; T329-R348 HydrophobicContact CG2-CG 4.24Å; T329-M351 HydrophobicContact CG2-CB 3.98Å; T329-M351 HydrophobicContact CG2-CG 4.46Å; T329-M351 HydrophobicContact CG2-SD 3.7Å; T329-L370 HydrophobicContact CG2-CB 3.91Å; T329-L370 HydrophobicContact CG2-CD1 4.29Å; T329-L370 HydrophobicContact CG2-CG 4.31Å; T329-L370 PolarHBondContact N-O 3.2Å; T329-L370 PolarHBondContact OG1-N 3.15Å
330	R	85.4	Confident	74.5	Confident	22 Å²	22	63 Å²	63	8%	0.083	34%	0.335	C	S	.	.	S	Bend	trans	-70.5	134.7	-177.3	-176.3	-178.1	53	83.3	-14.7	110.8	T328 K332 E336 F344 N369 Y371	T328-R330 VanDerWaalsContact C-N 3.27Å; T328-R330 HydrophobicContact CG2-CB 4.12Å; T328-R330 WeakPolarHBondContact OG1-CB 3.27Å; T328-R330 PolarHBondContact OG1-N 3.34Å; T328-R330 VanDerWaalsContact OG1-N 3.17Å; R330-K332 PolarHBondContact O-N 3.32Å; R330-E336 IonicContact CZ-OE1 2.85Å; R330-E336 IonicContact CZ-OE2 3.96Å; R330-E336 IonicContact NH1-OE1 3.53Å; R330-E336 PolarHBondContact NH1-OE1 3.2Å; R330-E336 IonicContact NH1-OE2 2.73Å; R330-E336 PolarHBondContact NH1-OE2 2.86Å; R330-E336 IonicContact NH2-OE1 2.64Å; R330-E336 PolarHBondContact NH2-OE1 2.93Å; R330-E336 IonicContact NH2-OE2 3.95Å; R330-E336 PolarHBondContact NH2-OE2 2.94Å; R330-F344 WeakPolarHBondContact O-CD1 2.99Å; R330-N369 WeakPolarHBondContact CA-OD1 3.22Å; R330-N369 HydrophobicContact CB-CB 3.95Å; R330-Y371 VanDerWaalsContact CD-OH 3.31Å; R330-Y371 WeakPolarHBondContact CD-OH 3.35Å; R330-Y371 PolarHBondContact NE-OH 3.43Å
331	P	81.9	Confident	73.9	Confident	101 Å²	101	65.1 Å²	65.1	66%	0.656	34%	0.343	S	S	*	.	P	Polyproline II helix	trans	-54.3	134.3	169	-26.9	35.4	0	0	0	112.7
332	K	86.9	Confident	73.8	Confident	107 Å²	107	65.8 Å²	65.8	47%	0.465	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-63.4	134.8	175.3	-170.2	175.7	86.7	128.3	0	111.1	R330 E336 D338 F344	R330-K332 PolarHBondContact O-N 3.32Å; K332-E336 HydrophobicContact CD-CB 4.49Å; K332-E336 VanDerWaalsContact CD-O 3.25Å; K332-E336 WeakPolarHBondContact CD-O 3.42Å; K332-E336 WeakPolarHBondContact CE-O 3.43Å; K332-E336 HydrophobicContact CG-CB 3.74Å; K332-E336 PolarHBondContact NZ-O 3.21Å; K332-D338 HydrophobicContact CD-CB 4.18Å; K332-F344 HydrophobicContact CB-CD1 3.98Å; K332-F344 HydrophobicContact CB-CD2 3.91Å; K332-F344 HydrophobicContact CB-CE1 3.92Å; K332-F344 HydrophobicContact CB-CE2 3.89Å; K332-F344 HydrophobicContact CB-CG 3.95Å; K332-F344 HydrophobicContact CB-CZ 3.88Å; K332-F344 HydrophobicContact CD-CD2 3.69Å; K332-F344 HydrophobicContact CD-CE2 3.58Å; K332-F344 HydrophobicContact CD-CZ 4.3Å; K332-F344 HydrophobicContact CG-CD2 3.82Å; K332-F344 HydrophobicContact CG-CE1 4.21Å; K332-F344 HydrophobicContact CG-CE2 3.43Å; K332-F344 VanDerWaalsContact CG-CE2 3.43Å; K332-F344 HydrophobicContact CG-CG 4.38Å; K332-F344 HydrophobicContact CG-CZ 3.63Å
333	R	84.6	Confident	74.3	Confident	123 Å²	123	69.2 Å²	69.2	46%	0.464	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-85.6	160	175.5	-60.5	168.3	-174.7	-179.9	3.1	110.7	Y335 E336	R333-Y335 HydrophobicContact CB-CD1 4.13Å; R333-Y335 HydrophobicContact CB-CE1 3.81Å; R333-Y335 WeakPolarHBondContact CD-OH 3.38Å; R333-Y335 HydrophobicContact CG-CE1 4.4Å; R333-Y335 PolarHBondContact NH1-OH 2.85Å; R333-Y335 PolarHBondContact O-N 3.48Å; R333-E336 HydrophobicContact CB-CG 4.01Å; R333-E336 WeakPolarHBondContact CB-OE2 3.38Å; R333-E336 WeakPolarHBondContact CG-OE2 3.36Å; R333-E336 PolarHBondContact N-OE2 2.96Å; R333-E336 PolarHBondContact O-N 3.22Å
334	N	81.3	Confident	75.7	Confident	179 Å²	179	66.6 Å²	66.6	96%	0.957	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-20	-174.7	-62.3	1.4	0	0	0	114.9
335	Y	83.1	Confident	77	Confident	158 Å²	158	66.1 Å²	66.1	62%	0.62	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.8	-3.4	178	65	-99.4	0	0	0	113.5	R333	R333-Y335 HydrophobicContact CB-CD1 4.13Å; R333-Y335 HydrophobicContact CB-CE1 3.81Å; R333-Y335 WeakPolarHBondContact CD-OH 3.38Å; R333-Y335 HydrophobicContact CG-CE1 4.4Å; R333-Y335 PolarHBondContact NH1-OH 2.85Å; R333-Y335 PolarHBondContact O-N 3.48Å
336	E	81.9	Confident	77.5	Confident	10 Å²	10	74.9 Å²	74.9	5%	0.047	38%	0.376	C	S	.	.			trans	-95.8	143.4	-177.1	-65.5	172.1	157.7	0	0	110.7	R330 K332 R333 D341 F344	R330-E336 IonicContact CZ-OE1 2.85Å; R330-E336 IonicContact CZ-OE2 3.96Å; R330-E336 IonicContact NH1-OE1 3.53Å; R330-E336 PolarHBondContact NH1-OE1 3.2Å; R330-E336 IonicContact NH1-OE2 2.73Å; R330-E336 PolarHBondContact NH1-OE2 2.86Å; R330-E336 IonicContact NH2-OE1 2.64Å; R330-E336 PolarHBondContact NH2-OE1 2.93Å; R330-E336 IonicContact NH2-OE2 3.95Å; R330-E336 PolarHBondContact NH2-OE2 2.94Å; K332-E336 HydrophobicContact CD-CB 4.49Å; K332-E336 VanDerWaalsContact CD-O 3.25Å; K332-E336 WeakPolarHBondContact CD-O 3.42Å; K332-E336 WeakPolarHBondContact CE-O 3.43Å; K332-E336 HydrophobicContact CG-CB 3.74Å; K332-E336 PolarHBondContact NZ-O 3.21Å; R333-E336 HydrophobicContact CB-CG 4.01Å; R333-E336 WeakPolarHBondContact CB-OE2 3.38Å; R333-E336 WeakPolarHBondContact CG-OE2 3.36Å; R333-E336 PolarHBondContact N-OE2 2.96Å; R333-E336 PolarHBondContact O-N 3.22Å; E336-D341 VanDerWaalsContact CA-OD2 3.28Å; E336-D341 WeakPolarHBondContact CA-OD2 3.27Å; E336-D341 HydrophobicContact CB-CB 4.35Å; E336-F344 HydrophobicContact CB-CE2 4.44Å; E336-F344 HydrophobicContact CB-CZ 4.14Å
337	V	77.5	Confident	78.5	Confident	67 Å²	67	74 Å²	74	41%	0.406	38%	0.377	S	S	.	.			trans	-112.3	128.2	-179.8	174.4	0	0	0	0	109.1	Q340 D341	V337-Q340 HydrophobicContact CB-CB 3.83Å; V337-Q340 HydrophobicContact CG1-CB 3.67Å; V337-Q340 PolarHBondContact O-N 2.9Å; V337-Q340 VanDerWaalsContact O-N 3.12Å; V337-D341 PolarHBondContact N-OD2 3.1Å; V337-D341 PolarHBondContact O-N 2.89Å
338	D	79	Confident	79.1	Confident	86 Å²	86	77.1 Å²	77.1	46%	0.46	39%	0.388	S	S	.	.	B	Isolated β-bridge	trans	-71.6	135	-179.2	-175.3	31.6	0	0	0	110	K332 Q340 F344	K332-D338 HydrophobicContact CD-CB 4.18Å; D338-Q340 PolarHBondContact O-N 2.87Å; D338-F344 HydrophobicContact CB-CD2 3.88Å; D338-F344 WeakPolarHBondContact OD1-CD2 3.41Å; D338-F344 PolarHBondContact OD1-N 2.66Å
339	G	71.8	Confident	79.5	Confident	39 Å²	39	83.3 Å²	83.3	40%	0.402	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	73	-3	-168.7	0	0	0	0	0	115.2	Y342	G339-Y342 PolarHBondContact N-O 3.18Å
340	Q	69.2	Low	79.9	Confident	128 Å²	128	86 Å²	86	60%	0.598	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.1	-37.8	176.1	-177.9	175.4	-9.1	0	0	113.8	P324 V337 D338	P324-Q340 VanDerWaalsContact CB-O 3.32Å; P324-Q340 WeakPolarHBondContact CB-O 3.24Å; P324-Q340 VanDerWaalsContact CD-O 3.31Å; P324-Q340 WeakPolarHBondContact CD-O 3.17Å; P324-Q340 VanDerWaalsContact CG-O 3.28Å; P324-Q340 WeakPolarHBondContact CG-O 3.44Å; V337-Q340 HydrophobicContact CB-CB 3.83Å; V337-Q340 HydrophobicContact CG1-CB 3.67Å; V337-Q340 PolarHBondContact O-N 2.9Å; V337-Q340 VanDerWaalsContact O-N 3.12Å; D338-Q340 PolarHBondContact O-N 2.87Å
341	D	68.8	Low	80	Confident	56 Å²	56	85 Å²	85	30%	0.299	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-52.9	172.1	-67.2	-83.1	0	0	0	110.9	E336 V337	E336-D341 VanDerWaalsContact CA-OD2 3.28Å; E336-D341 WeakPolarHBondContact CA-OD2 3.27Å; E336-D341 HydrophobicContact CB-CB 4.35Å; V337-D341 PolarHBondContact N-OD2 3.1Å; V337-D341 PolarHBondContact O-N 2.89Å
342	Y	74.3	Confident	80.4	Confident	63 Å²	63	83.6 Å²	83.6	25%	0.247	41%	0.408	C	S	.	.	B	Isolated β-bridge	trans	-143.1	163.4	176.1	-66.2	-93.4	0	0	0	109.1	Q326 T328 G339 F344 Y371	Q326-Y342 HydrophobicContact CB-CD1 3.95Å; Q326-Y342 HydrophobicContact CB-CE1 4.16Å; Q326-Y342 CarbonylContact O-C 3.59Å; Q326-Y342 VanDerWaalsContact O-CA 3.28Å; Q326-Y342 WeakPolarHBondContact O-CA 3.38Å; Q326-Y342 WeakPolarHBondContact O-CB 3.47Å; Q326-Y342 WeakPolarHBondContact O-CD1 3.3Å; T328-Y342 HydrophobicContact CG2-CD1 3.89Å; T328-Y342 HydrophobicContact CG2-CG 3.83Å; G339-Y342 PolarHBondContact N-O 3.18Å; Y342-F344 HydrophobicContact CD2-CE1 4.39Å; Y342-F344 HydrophobicContact CD2-CZ 4.05Å; Y342-F344 HydrophobicContact CG-CE1 4.43Å; Y342-F344 HydrophobicContact CG-CZ 4.32Å; Y342-Y371 HydrophobicContact CD1-CD1 4.33Å; Y342-Y371 HydrophobicContact CD1-CE1 4.49Å; Y342-Y371 AromaticContact CE1-CD1 3.79Å; Y342-Y371 HydrophobicContact CE1-CD1 3.79Å; Y342-Y371 AromaticContact CE1-CE1 3.9Å; Y342-Y371 HydrophobicContact CE1-CE1 3.9Å
343	L	76.9	Confident	80.5	Confident	76 Å²	76	83.1 Å²	83.1	40%	0.398	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	113.2	160.1	-159.2	74.5	0	0	0	108	Q326 D327 T328 V345	Q326-L343 PolarHBondContact O-N 2.99Å; D327-L343 WeakPolarHBondContact CA-O 3.27Å; D327-L343 WeakPolarHBondContact OD1-CD2 3.4Å; T328-L343 PolarHBondContact N-O 2.66Å; L343-V345 PolarHBondContact O-N 3.3Å
344	F	81.5	Confident	80.7	Confident	33 Å²	33	78.5 Å²	78.5	15%	0.145	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	99.8	-171.6	-69	-75.1	0	0	0	111.5	T328 R330 K332 E336 D338 Y342 M346	T328-F344 HydrophobicContact CG2-CD1 3.62Å; T328-F344 HydrophobicContact CG2-CE1 3.71Å; R330-F344 WeakPolarHBondContact O-CD1 2.99Å; K332-F344 HydrophobicContact CB-CD1 3.98Å; K332-F344 HydrophobicContact CB-CD2 3.91Å; K332-F344 HydrophobicContact CB-CE1 3.92Å; K332-F344 HydrophobicContact CB-CE2 3.89Å; K332-F344 HydrophobicContact CB-CG 3.95Å; K332-F344 HydrophobicContact CB-CZ 3.88Å; K332-F344 HydrophobicContact CD-CD2 3.69Å; K332-F344 HydrophobicContact CD-CE2 3.58Å; K332-F344 HydrophobicContact CD-CZ 4.3Å; K332-F344 HydrophobicContact CG-CD2 3.82Å; K332-F344 HydrophobicContact CG-CE1 4.21Å; K332-F344 HydrophobicContact CG-CE2 3.43Å; K332-F344 VanDerWaalsContact CG-CE2 3.43Å; K332-F344 HydrophobicContact CG-CG 4.38Å; K332-F344 HydrophobicContact CG-CZ 3.63Å; E336-F344 HydrophobicContact CB-CE2 4.44Å; E336-F344 HydrophobicContact CB-CZ 4.14Å; D338-F344 HydrophobicContact CB-CD2 3.88Å; D338-F344 WeakPolarHBondContact OD1-CD2 3.41Å; D338-F344 PolarHBondContact OD1-N 2.66Å; Y342-F344 HydrophobicContact CD2-CE1 4.39Å; Y342-F344 HydrophobicContact CD2-CZ 4.05Å; Y342-F344 HydrophobicContact CG-CE1 4.43Å; Y342-F344 HydrophobicContact CG-CZ 4.32Å; F344-M346 PolarHBondContact O-N 3.48Å
345	V	77.6	Confident	81	Confident	34 Å²	34	72.4 Å²	72.4	21%	0.206	36%	0.357	C	S	.	.			trans	-73.2	126.2	-175.2	-169.1	0	0	0	0	110.6	D327 T328 L343 S347 M351	D327-V345 HydrophobicContact CB-CG2 3.96Å; T328-V345 PolarHBondContact O-N 3.08Å; L343-V345 PolarHBondContact O-N 3.3Å; V345-S347 WeakPolarHBondContact CG1-O 3.5Å; V345-S347 PolarHBondContact O-N 2.92Å; V345-S347 VanDerWaalsContact O-N 3.16Å; V345-M351 HydrophobicContact CG1-CB 4.25Å; V345-M351 HydrophobicContact CG2-SD 4.33Å
346	M	67.3	Low	81.2	Confident	201 Å²	201	71.5 Å²	71.5	99%	0.99	36%	0.359	S	S	*	.	S	Bend	trans	-69	-11.6	-172.4	-61.6	-173.9	72.4	0	0	115.6	F344	F344-M346 PolarHBondContact O-N 3.48Å
347	S	85.7	Confident	81.5	Confident	39 Å²	39	75.6 Å²	75.6	27%	0.273	38%	0.378	S	S	.	.			trans	-151.1	139.3	-177.3	150.9	0	0	0	0	110.3	V345 E349 Q350 M351	V345-S347 WeakPolarHBondContact CG1-O 3.5Å; V345-S347 PolarHBondContact O-N 2.92Å; V345-S347 VanDerWaalsContact O-N 3.16Å; S347-E349 WeakPolarHBondContact CB-OE2 3.39Å; S347-E349 PolarHBondContact OG-N 3.41Å; S347-E349 PolarHBondContact OG-OE2 2.71Å; S347-Q350 PolarHBondContact OG-N 3.47Å; S347-M351 PolarHBondContact O-N 3.24Å
348	R	87.5	Confident	81.9	Confident	76 Å²	76	79.5 Å²	79.5	29%	0.287	39%	0.392	S	S	.	.	H	α-helix	trans	-70.5	-40	174.8	176.2	174.2	170.6	134.9	9.5	111	T329 Q350 M351 E352 D368 L370	T329-R348 HydrophobicContact CG2-CB 3.99Å; T329-R348 HydrophobicContact CG2-CG 4.24Å; R348-Q350 VanDerWaalsContact C-N 3.28Å; R348-Q350 PolarHBondContact O-N 2.69Å; R348-M351 PolarHBondContact O-N 3.37Å; R348-M351 VanDerWaalsContact O-N 3.14Å; R348-E352 HydrophobicContact CG-CG 4.31Å; R348-E352 IonicContact CZ-OE1 3.32Å; R348-E352 IonicContact NE-OE1 2.75Å; R348-E352 PolarHBondContact NE-OE1 2.89Å; R348-E352 IonicContact NH2-OE1 3.46Å; R348-E352 PolarHBondContact NH2-OE1 3.02Å; R348-E352 WeakPolarHBondContact O-CG 3.39Å; R348-E352 PolarHBondContact O-N 2.99Å; R348-D368 PolarHBondContact NH1-O 3.03Å; R348-L370 HydrophobicContact CG-CD1 4.06Å
349	E	88.9	Confident	82.2	Confident	130 Å²	130	79.3 Å²	79.3	61%	0.607	39%	0.387	S	S	*	.	H	α-helix	trans	-60.3	-39	179.5	-53.2	70.4	-155.1	0	0	111.1	S347 K353	S347-E349 WeakPolarHBondContact CB-OE2 3.39Å; S347-E349 PolarHBondContact OG-N 3.41Å; S347-E349 PolarHBondContact OG-OE2 2.71Å; E349-K353 WeakPolarHBondContact O-CB 3.41Å; E349-K353 PolarHBondContact O-N 3.3Å
350	Q	87.3	Confident	83.1	Confident	79 Å²	79	77.8 Å²	77.8	37%	0.369	37%	0.369	S	S	.	.	H	α-helix	trans	-66.8	-44.5	174.2	-177.8	54.2	45.5	0	0	111.7	S347 R348 K353 D354	S347-Q350 PolarHBondContact OG-N 3.47Å; R348-Q350 VanDerWaalsContact C-N 3.28Å; R348-Q350 PolarHBondContact O-N 2.69Å; Q350-K353 WeakPolarHBondContact O-CB 3.36Å; Q350-K353 PolarHBondContact O-N 2.95Å; Q350-D354 PolarHBondContact NE2-OD1 3.34Å; Q350-D354 PolarHBondContact NE2-OD2 3.39Å; Q350-D354 VanDerWaalsContact O-CG 3.31Å; Q350-D354 PolarHBondContact O-N 2.8Å
351	M	87.4	Confident	84	Confident	0 Å²	0	71.7 Å²	71.7	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-65.5	-39.9	176.5	-168.8	172.8	178.3	0	0	112.2	D327 T329 V345 S347 R348 K353 D354 I355 F360 L370	D327-M351 HydrophobicContact CB-CE 4.07Å; D327-M351 WeakPolarHBondContact O-CE 3.26Å; T329-M351 HydrophobicContact CG2-CB 3.98Å; T329-M351 HydrophobicContact CG2-CG 4.46Å; T329-M351 HydrophobicContact CG2-SD 3.7Å; V345-M351 HydrophobicContact CG1-CB 4.25Å; V345-M351 HydrophobicContact CG2-SD 4.33Å; S347-M351 PolarHBondContact O-N 3.24Å; R348-M351 PolarHBondContact O-N 3.37Å; R348-M351 VanDerWaalsContact O-N 3.14Å; M351-K353 VanDerWaalsContact C-N 3.31Å; M351-K353 PolarHBondContact O-N 3.47Å; M351-D354 PolarHBondContact O-N 2.96Å; M351-I355 HydrophobicContact CG-CD1 4.16Å; M351-I355 WeakPolarHBondContact O-CD1 3.22Å; M351-I355 VanDerWaalsContact O-CG1 3.24Å; M351-I355 WeakPolarHBondContact O-CG1 3.37Å; M351-I355 PolarHBondContact O-N 3.06Å; M351-F360 HydrophobicContact CE-CE1 3.77Å; M351-F360 HydrophobicContact CE-CZ 3.79Å; M351-F360 HydrophobicContact CG-CE2 4.22Å; M351-F360 HydrophobicContact CG-CZ 4.13Å; M351-L370 HydrophobicContact CB-CD1 4.41Å; M351-L370 HydrophobicContact CE-CB 4.04Å; M351-L370 HydrophobicContact CG-CD1 4.38Å; M351-L370 HydrophobicContact SD-CB 3.63Å; M351-L370 HydrophobicContact SD-CD1 4.44Å
352	E	89.6	Confident	84.9	Confident	71 Å²	71	72 Å²	72	33%	0.332	34%	0.34	S	S	.	.	H	α-helix	trans	-63.2	-36.9	174.9	-71.5	-177.4	172.9	0	0	112	R348 Q356 L370	R348-E352 HydrophobicContact CG-CG 4.31Å; R348-E352 IonicContact CZ-OE1 3.32Å; R348-E352 IonicContact NE-OE1 2.75Å; R348-E352 PolarHBondContact NE-OE1 2.89Å; R348-E352 IonicContact NH2-OE1 3.46Å; R348-E352 PolarHBondContact NH2-OE1 3.02Å; R348-E352 WeakPolarHBondContact O-CG 3.39Å; R348-E352 PolarHBondContact O-N 2.99Å; E352-Q356 VanDerWaalsContact O-CG 3.31Å; E352-Q356 WeakPolarHBondContact O-CG 3.48Å; E352-Q356 PolarHBondContact O-N 2.81Å; E352-Q356 VanDerWaalsContact O-N 3.16Å; E352-Q356 PolarHBondContact O-NE2 3.37Å; E352-L370 HydrophobicContact CG-CD1 3.49Å; E352-L370 VanDerWaalsContact CG-CD1 3.49Å
353	K	89.9	Confident	85.5	Confident	98 Å²	98	70.9 Å²	70.9	43%	0.426	34%	0.344	S	S	.	.	H	α-helix	trans	-66.2	-44.4	171.2	177.8	-178.5	170	-174.9	0	112.1	E349 Q350 M351 I355 Q356 E357	E349-K353 WeakPolarHBondContact O-CB 3.41Å; E349-K353 PolarHBondContact O-N 3.3Å; Q350-K353 WeakPolarHBondContact O-CB 3.36Å; Q350-K353 PolarHBondContact O-N 2.95Å; M351-K353 VanDerWaalsContact C-N 3.31Å; M351-K353 PolarHBondContact O-N 3.47Å; K353-I355 VanDerWaalsContact C-N 3.29Å; K353-I355 PolarHBondContact O-N 3.31Å; K353-Q356 CarbonylContact O-C 3.59Å; K353-Q356 WeakPolarHBondContact O-CA 3.46Å; K353-Q356 WeakPolarHBondContact O-CB 3.43Å; K353-Q356 PolarHBondContact O-N 3.11Å; K353-Q356 VanDerWaalsContact O-N 3.09Å; K353-E357 WeakPolarHBondContact CE-OE1 3.39Å; K353-E357 HydrophobicContact CG-CG 4.47Å; K353-E357 IonicContact NZ-OE1 2.78Å; K353-E357 PolarHBondContact O-N 2.9Å
354	D	88.6	Confident	85.8	Confident	26 Å²	26	69.2 Å²	69.2	14%	0.139	35%	0.346	C	S	.	.	H	α-helix	trans	-67	-29.7	179.6	-71	-35.7	0	0	0	112.8	Q350 M351 H358 K359 F360	Q350-D354 PolarHBondContact NE2-OD1 3.34Å; Q350-D354 PolarHBondContact NE2-OD2 3.39Å; Q350-D354 VanDerWaalsContact O-CG 3.31Å; Q350-D354 PolarHBondContact O-N 2.8Å; M351-D354 PolarHBondContact O-N 2.96Å; D354-H358 PolarHBondContact O-N 3.39Å; D354-K359 HydrophobicContact CB-CB 4.4Å; D354-K359 HydrophobicContact CB-CD 4.02Å; D354-K359 WeakPolarHBondContact O-CB 3.17Å; D354-K359 PolarHBondContact O-N 3.38Å; D354-K359 WeakPolarHBondContact OD1-CD 3.18Å; D354-K359 WeakPolarHBondContact OD1-CE 3.29Å; D354-K359 IonicContact OD1-NZ 2.69Å; D354-K359 PolarHBondContact OD1-NZ 3.31Å; D354-F360 HydrophobicContact CB-CD2 4.25Å; D354-F360 HydrophobicContact CB-CE2 3.79Å
355	I	87.3	Confident	85.9	Confident	50 Å²	50	72.6 Å²	72.6	26%	0.256	36%	0.362	S	S	.	.	H	α-helix	trans	-66.4	-42.2	169.2	-69.7	164.1	0	0	0	110.9	M351 K353 H358 F360 A363 L370	M351-I355 HydrophobicContact CG-CD1 4.16Å; M351-I355 WeakPolarHBondContact O-CD1 3.22Å; M351-I355 VanDerWaalsContact O-CG1 3.24Å; M351-I355 WeakPolarHBondContact O-CG1 3.37Å; M351-I355 PolarHBondContact O-N 3.06Å; K353-I355 VanDerWaalsContact C-N 3.29Å; K353-I355 PolarHBondContact O-N 3.31Å; I355-H358 PolarHBondContact O-N 2.85Å; I355-F360 HydrophobicContact CB-CD2 4.41Å; I355-F360 HydrophobicContact CG1-CB 4.22Å; I355-F360 HydrophobicContact CG1-CD2 3.54Å; I355-F360 HydrophobicContact CG1-CE2 4.13Å; I355-F360 HydrophobicContact CG1-CG 3.89Å; I355-A363 HydrophobicContact CD1-CB 3.7Å; I355-A363 HydrophobicContact CG1-CB 3.94Å; I355-L370 HydrophobicContact CD1-CD1 4.39Å
356	Q	87.4	Confident	86	Confident	140 Å²	140	78.2 Å²	78.2	65%	0.654	38%	0.38	S	S	*	.	H	α-helix	trans	-66.6	-37.5	174.9	-70	168.8	46.7	0	0	112.3	E352 K353 H358	E352-Q356 VanDerWaalsContact O-CG 3.31Å; E352-Q356 WeakPolarHBondContact O-CG 3.48Å; E352-Q356 PolarHBondContact O-N 2.81Å; E352-Q356 VanDerWaalsContact O-N 3.16Å; E352-Q356 PolarHBondContact O-NE2 3.37Å; K353-Q356 CarbonylContact O-C 3.59Å; K353-Q356 WeakPolarHBondContact O-CA 3.46Å; K353-Q356 WeakPolarHBondContact O-CB 3.43Å; K353-Q356 PolarHBondContact O-N 3.11Å; K353-Q356 VanDerWaalsContact O-N 3.09Å; Q356-H358 PolarHBondContact O-N 2.83Å; Q356-H358 VanDerWaalsContact O-N 3.15Å
357	E	87.8	Confident	86.8	Confident	95 Å²	95	73.8 Å²	73.8	44%	0.444	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	14.4	173.6	-67.4	-178.2	-176.3	0	0	113.3	K353 K359	K353-E357 WeakPolarHBondContact CE-OE1 3.39Å; K353-E357 HydrophobicContact CG-CG 4.47Å; K353-E357 IonicContact NZ-OE1 2.78Å; K353-E357 PolarHBondContact O-N 2.9Å; E357-K359 HydrophobicContact CB-CG 4.41Å; E357-K359 PolarHBondContact O-N 2.99Å; E357-K359 VanDerWaalsContact O-N 3.12Å; E357-K359 WeakPolarHBondContact OE2-CE 3.32Å; E357-K359 IonicContact OE2-NZ 3.69Å; E357-K359 PolarHBondContact OE2-NZ 3.42Å
358	H	85.4	Confident	86.7	Confident	149 Å²	149	77.7 Å²	77.7	69%	0.69	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.8	21.8	175.7	-59.7	-35.2	0	0	0	115.9	D354 I355 Q356 F360	D354-H358 PolarHBondContact O-N 3.39Å; I355-H358 PolarHBondContact O-N 2.85Å; Q356-H358 PolarHBondContact O-N 2.83Å; Q356-H358 VanDerWaalsContact O-N 3.15Å; H358-F360 PolarHBondContact O-N 3.02Å
359	K	86.8	Confident	86.5	Confident	83 Å²	83	75.9 Å²	75.9	36%	0.361	38%	0.375	S	S	.	.			trans	-73.6	-6.7	178.4	-60.2	175.3	-166.4	161.4	0	113.6	D354 E357 S374 V375	D354-K359 HydrophobicContact CB-CB 4.4Å; D354-K359 HydrophobicContact CB-CD 4.02Å; D354-K359 WeakPolarHBondContact O-CB 3.17Å; D354-K359 PolarHBondContact O-N 3.38Å; D354-K359 WeakPolarHBondContact OD1-CD 3.18Å; D354-K359 WeakPolarHBondContact OD1-CE 3.29Å; D354-K359 IonicContact OD1-NZ 2.69Å; D354-K359 PolarHBondContact OD1-NZ 3.31Å; E357-K359 HydrophobicContact CB-CG 4.41Å; E357-K359 PolarHBondContact O-N 2.99Å; E357-K359 VanDerWaalsContact O-N 3.12Å; E357-K359 WeakPolarHBondContact OE2-CE 3.32Å; E357-K359 IonicContact OE2-NZ 3.69Å; E357-K359 PolarHBondContact OE2-NZ 3.42Å; K359-S374 CarbonylContact O-C 3.56Å; K359-S374 VanDerWaalsContact O-CA 3.3Å; K359-S374 WeakPolarHBondContact O-CA 3.26Å; K359-V375 PolarHBondContact O-N 2.9Å
360	F	89.2	Confident	86.3	Confident	6 Å²	6	70.3 Å²	70.3	3%	0.026	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	129.1	-178.1	-80.1	-86.5	0	0	0	112.8	D327 M351 D354 I355 H358 A363 R399	D327-F360 HydrophobicContact CB-CE1 3.69Å; D327-F360 HydrophobicContact CB-CZ 3.68Å; D327-F360 VanDerWaalsContact OD2-CE1 3.23Å; D327-F360 WeakPolarHBondContact OD2-CE1 3.36Å; M351-F360 HydrophobicContact CE-CE1 3.77Å; M351-F360 HydrophobicContact CE-CZ 3.79Å; M351-F360 HydrophobicContact CG-CE2 4.22Å; M351-F360 HydrophobicContact CG-CZ 4.13Å; D354-F360 HydrophobicContact CB-CD2 4.25Å; D354-F360 HydrophobicContact CB-CE2 3.79Å; I355-F360 HydrophobicContact CB-CD2 4.41Å; I355-F360 HydrophobicContact CG1-CB 4.22Å; I355-F360 HydrophobicContact CG1-CD2 3.54Å; I355-F360 HydrophobicContact CG1-CE2 4.13Å; I355-F360 HydrophobicContact CG1-CG 3.89Å; H358-F360 PolarHBondContact O-N 3.02Å; F360-A363 HydrophobicContact CB-CB 4.33Å; F360-A363 HydrophobicContact CD1-CB 4.36Å; F360-A363 HydrophobicContact CG-CB 4.42Å; F360-R399 VanDerWaalsContact O-CD 3.29Å; F360-R399 WeakPolarHBondContact O-CD 3.13Å; F360-R399 PolarHBondContact O-NH1 3.07Å
361	I	89.7	Confident	86.2	Confident	1 Å²	1	68.7 Å²	68.7	1%	0.005	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	-33.7	173.7	63.7	155.5	0	0	0	111.5	T373 V375 V378 L390 V392 A396 R399 L400	I361-T373 HydrophobicContact CD1-CG2 3.97Å; I361-T373 HydrophobicContact CG1-CG2 3.95Å; I361-T373 VanDerWaalsContact CG1-O 3.27Å; I361-T373 WeakPolarHBondContact CG1-O 3.31Å; I361-T373 PolarHBondContact N-O 3.48Å; I361-V375 HydrophobicContact CG2-CG2 3.64Å; I361-V378 HydrophobicContact CD1-CG2 3.89Å; I361-V378 HydrophobicContact CG1-CG2 4.48Å; I361-L390 HydrophobicContact CD1-CD1 3.73Å; I361-L390 HydrophobicContact CD1-CD2 4.06Å; I361-V392 HydrophobicContact CD1-CG1 4.19Å; I361-A396 HydrophobicContact CB-CB 4.32Å; I361-A396 HydrophobicContact CD1-CB 4.38Å; I361-R399 HydrophobicContact CG2-CB 4.47Å; I361-R399 WeakPolarHBondContact O-CD 3.5Å; I361-R399 PolarHBondContact O-NH1 2.97Å; I361-L400 HydrophobicContact CB-CG 4.45Å; I361-L400 HydrophobicContact CD1-CD1 4.15Å; I361-L400 HydrophobicContact CD1-CD2 4.36Å; I361-L400 HydrophobicContact CD1-CG 4.37Å; I361-L400 HydrophobicContact CG2-CD2 3.74Å; I361-L400 HydrophobicContact CG2-CG 3.88Å
362	E	86.9	Confident	86.1	Confident	61 Å²	61	68.9 Å²	68.9	29%	0.285	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	146.2	170.7	-167.6	147.6	98.5	0	0	109	G372 T373 V392 S393	E362-G372 CarbonylContact O-C 3.54Å; E362-G372 WeakPolarHBondContact O-CA 3.22Å; E362-T373 PolarHBondContact O-N 2.94Å; E362-V392 HydrophobicContact CB-CB 4.49Å; E362-V392 HydrophobicContact CB-CG1 4.1Å; E362-V392 VanDerWaalsContact OE1-CA 3.28Å; E362-V392 WeakPolarHBondContact OE1-CA 3.48Å; E362-S393 PolarHBondContact OE1-N 3.33Å; E362-S393 WeakPolarHBondContact OE2-CB 3.45Å; E362-S393 PolarHBondContact OE2-N 2.98Å; E362-S393 PolarHBondContact OE2-OG 2.77Å
363	A	86.4	Confident	85.9	Confident	41 Å²	41	66 Å²	66	34%	0.339	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	151.3	176.9	0	0	0	0	0	110.6	I355 F360 Y371	I355-A363 HydrophobicContact CD1-CB 3.7Å; I355-A363 HydrophobicContact CG1-CB 3.94Å; F360-A363 HydrophobicContact CB-CB 4.33Å; F360-A363 HydrophobicContact CD1-CB 4.36Å; F360-A363 HydrophobicContact CG-CB 4.42Å; A363-Y371 CarbonylContact C-O 3.59Å; A363-Y371 VanDerWaalsContact CA-O 3.24Å; A363-Y371 WeakPolarHBondContact CA-O 3.27Å
364	G	82.9	Confident	85.8	Confident	41 Å²	41	61.6 Å²	61.6	42%	0.423	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	167.7	179.2	0	0	0	0	0	112.9	L370 Y371	G364-L370 WeakPolarHBondContact O-CA 3.39Å; G364-Y371 PolarHBondContact N-O 3.25Å; G364-Y371 PolarHBondContact O-N 3.45Å
365	Q	84.3	Confident	85.9	Confident	103 Å²	103	61.5 Å²	61.5	48%	0.481	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	131.2	176.3	-177.2	165.6	-38.1	0	0	110.1	D368 N369 L370	Q365-D368 PolarHBondContact NE2-OD1 3.09Å; Q365-N369 WeakPolarHBondContact CA-O 3.41Å; Q365-L370 HydrophobicContact CB-CD2 3.89Å; Q365-L370 HydrophobicContact CG-CD2 4.3Å
366	Y	80.1	Confident	85.9	Confident	152 Å²	152	66.4 Å²	66.4	60%	0.596	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.9	126.7	173.9	-179.3	-104.9	0	0	0	110.2	D368 N369 Y371	Y366-D368 VanDerWaalsContact C-N 3.26Å; Y366-D368 PolarHBondContact O-N 2.94Å; Y366-N369 PolarHBondContact N-O 2.79Å; Y366-N369 PolarHBondContact O-N 2.9Å; Y366-N369 VanDerWaalsContact O-N 3.13Å; Y366-Y371 HydrophobicContact CD1-CE2 4.38Å
367	N	83.3	Confident	85.9	Confident	109 Å²	109	60 Å²	60	58%	0.583	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.9	52.5	-172.7	-60.7	-11.7	0	0	0	111.9	N369	N367-N369 PolarHBondContact O-N 3.36Å; N367-N369 PolarHBondContact O-ND2 3.05Å
368	D	83.6	Confident	86	Confident	120 Å²	120	55.5 Å²	55.5	64%	0.642	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	8	-179.3	-58.5	-41.9	0	0	0	118.3	R348 Q365 Y366	R348-D368 PolarHBondContact NH1-O 3.03Å; Q365-D368 PolarHBondContact NE2-OD1 3.09Å; Y366-D368 VanDerWaalsContact C-N 3.26Å; Y366-D368 PolarHBondContact O-N 2.94Å
369	N	83.6	Confident	86.2	Confident	39 Å²	39	51.5 Å²	51.5	21%	0.209	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	145.3	170.7	-66	-84.2	0	0	0	110	R330 Q365 Y366 N367 Y371	R330-N369 WeakPolarHBondContact CA-OD1 3.22Å; R330-N369 HydrophobicContact CB-CB 3.95Å; Q365-N369 WeakPolarHBondContact CA-O 3.41Å; Y366-N369 PolarHBondContact N-O 2.79Å; Y366-N369 PolarHBondContact O-N 2.9Å; Y366-N369 VanDerWaalsContact O-N 3.13Å; N367-N369 PolarHBondContact O-N 3.36Å; N367-N369 PolarHBondContact O-ND2 3.05Å; N369-Y371 HydrophobicContact CB-CE2 3.86Å
370	L	85.5	Confident	86.2	Confident	13 Å²	13	53.5 Å²	53.5	7%	0.068	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	146.2	171.9	-58.4	178.3	0	0	0	109.9	T328 T329 R348 M351 E352 I355 G364 Q365	T328-L370 VanDerWaalsContact CA-O 3.25Å; T328-L370 WeakPolarHBondContact CA-O 3.43Å; T328-L370 WeakPolarHBondContact CB-O 3.46Å; T328-L370 PolarHBondContact OG1-O 3.02Å; T329-L370 HydrophobicContact CG2-CB 3.91Å; T329-L370 HydrophobicContact CG2-CD1 4.29Å; T329-L370 HydrophobicContact CG2-CG 4.31Å; T329-L370 PolarHBondContact N-O 3.2Å; T329-L370 PolarHBondContact OG1-N 3.15Å; R348-L370 HydrophobicContact CG-CD1 4.06Å; M351-L370 HydrophobicContact CB-CD1 4.41Å; M351-L370 HydrophobicContact CE-CB 4.04Å; M351-L370 HydrophobicContact CG-CD1 4.38Å; M351-L370 HydrophobicContact SD-CB 3.63Å; M351-L370 HydrophobicContact SD-CD1 4.44Å; E352-L370 HydrophobicContact CG-CD1 3.49Å; E352-L370 VanDerWaalsContact CG-CD1 3.49Å; I355-L370 HydrophobicContact CD1-CD1 4.39Å; G364-L370 WeakPolarHBondContact O-CA 3.39Å; Q365-L370 HydrophobicContact CB-CD2 3.89Å; Q365-L370 HydrophobicContact CG-CD2 4.3Å
371	Y	83.7	Confident	86.1	Confident	44 Å²	44	54 Å²	54	17%	0.173	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	142.4	172.8	-64.1	-93.7	0	0	0	108.1	D327 T328 R330 Y342 A363 G364 Y366 N369	D327-Y371 CarbonylContact O-C 3.22Å; D327-Y371 WeakPolarHBondContact O-CA 3.25Å; T328-Y371 WeakPolarHBondContact OG1-CD1 3.16Å; T328-Y371 VanDerWaalsContact OG1-CE1 3.29Å; T328-Y371 WeakPolarHBondContact OG1-CE1 3.32Å; R330-Y371 VanDerWaalsContact CD-OH 3.31Å; R330-Y371 WeakPolarHBondContact CD-OH 3.35Å; R330-Y371 PolarHBondContact NE-OH 3.43Å; Y342-Y371 HydrophobicContact CD1-CD1 4.33Å; Y342-Y371 HydrophobicContact CD1-CE1 4.49Å; Y342-Y371 AromaticContact CE1-CD1 3.79Å; Y342-Y371 HydrophobicContact CE1-CD1 3.79Å; Y342-Y371 AromaticContact CE1-CE1 3.9Å; Y342-Y371 HydrophobicContact CE1-CE1 3.9Å; A363-Y371 CarbonylContact C-O 3.59Å; A363-Y371 VanDerWaalsContact CA-O 3.24Å; A363-Y371 WeakPolarHBondContact CA-O 3.27Å; G364-Y371 PolarHBondContact N-O 3.25Å; G364-Y371 PolarHBondContact O-N 3.45Å; Y366-Y371 HydrophobicContact CD1-CE2 4.38Å; N369-Y371 HydrophobicContact CB-CE2 3.86Å
372	G	85.3	Confident	86.2	Confident	5 Å²	5	54 Å²	54	5%	0.052	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	165.9	176.6	0	0	0	0	0	112.9	Q326 D327 E362	Q326-G372 CarbonylContact C-O 3.6Å; Q326-G372 VanDerWaalsContact CA-O 3.3Å; Q326-G372 WeakPolarHBondContact CA-O 3.24Å; Q326-G372 WeakPolarHBondContact CB-O 3.41Å; D327-G372 PolarHBondContact N-O 2.64Å; D327-G372 PolarHBondContact O-N 3.24Å; E362-G372 CarbonylContact O-C 3.54Å; E362-G372 WeakPolarHBondContact O-CA 3.22Å
373	T	86.5	Confident	86.3	Confident	9 Å²	9	57.4 Å²	57.4	6%	0.055	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	110.9	168.7	-55.9	0	0	0	0	108	C322 I361 E362 V378 L390	C322-T373 HydrophobicContact CB-CG2 4.49Å; I361-T373 HydrophobicContact CD1-CG2 3.97Å; I361-T373 HydrophobicContact CG1-CG2 3.95Å; I361-T373 VanDerWaalsContact CG1-O 3.27Å; I361-T373 WeakPolarHBondContact CG1-O 3.31Å; I361-T373 PolarHBondContact N-O 3.48Å; E362-T373 PolarHBondContact O-N 2.94Å; T373-V378 HydrophobicContact CG2-CG2 3.73Å; T373-L390 HydrophobicContact CG2-CD2 4.17Å
374	S	88.4	Confident	86.4	Confident	6 Å²	6	63.5 Å²	63.5	4%	0.042	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	158.4	174.3	79.3	0	0	0	0	112.3	D327 K359 Q376 S377 V378	D327-S374 VanDerWaalsContact OD2-CB 3.26Å; D327-S374 WeakPolarHBondContact OD2-CB 3.38Å; D327-S374 PolarHBondContact OD2-N 2.88Å; K359-S374 CarbonylContact O-C 3.56Å; K359-S374 VanDerWaalsContact O-CA 3.3Å; K359-S374 WeakPolarHBondContact O-CA 3.26Å; S374-Q376 VanDerWaalsContact C-N 3.26Å; S374-Q376 PolarHBondContact O-N 2.73Å; S374-Q376 PolarHBondContact OG-N 3.44Å; S374-S377 WeakPolarHBondContact O-CB 3.35Å; S374-S377 PolarHBondContact O-N 3.13Å; S374-S377 WeakPolarHBondContact OG-CB 3.44Å; S374-S377 PolarHBondContact OG-N 3.13Å; S374-S377 PolarHBondContact OG-OG 3.02Å; S374-V378 PolarHBondContact O-N 3.41Å
375	V	89.9	Confident	86.7	Confident	25 Å²	25	64 Å²	64	15%	0.152	31%	0.308	C	S	.	.	H	α-helix	trans	-61.9	-37.8	170.3	170.6	0	0	0	0	110.5	K359 I361 S377 V378 K379 A403	K359-V375 PolarHBondContact O-N 2.9Å; I361-V375 HydrophobicContact CG2-CG2 3.64Å; V375-S377 VanDerWaalsContact C-N 3.35Å; V375-V378 PolarHBondContact O-N 3.32Å; V375-K379 HydrophobicContact CG1-CD 4.41Å; V375-K379 HydrophobicContact CG1-CG 4.47Å; V375-K379 WeakPolarHBondContact O-CG 3.38Å; V375-K379 PolarHBondContact O-N 3.46Å; V375-A403 HydrophobicContact CG1-CB 3.65Å; V375-A403 HydrophobicContact CG2-CB 4.12Å
376	Q	87.4	Confident	87	Confident	153 Å²	153	62.2 Å²	62.2	72%	0.715	30%	0.299	S	S	*	.	H	α-helix	trans	-63.7	-41.7	178.8	-68.7	-178.9	-38.6	0	0	111.4	S374 V378 K379 Y380	S374-Q376 VanDerWaalsContact C-N 3.26Å; S374-Q376 PolarHBondContact O-N 2.73Å; S374-Q376 PolarHBondContact OG-N 3.44Å; Q376-V378 VanDerWaalsContact C-N 3.3Å; Q376-V378 PolarHBondContact O-N 2.99Å; Q376-K379 PolarHBondContact O-N 3.42Å; Q376-Y380 PolarHBondContact O-N 2.97Å
377	S	86.5	Confident	87.7	Confident	5 Å²	5	55.8 Å²	55.8	4%	0.035	27%	0.274	C	S	.	.	H	α-helix	trans	-56.8	-41.3	175.2	-68.7	0	0	0	0	113.1	P325 S374 V375	P325-S377 WeakPolarHBondContact O-CB 3Å; P325-S377 PolarHBondContact O-OG 2.79Å; S374-S377 WeakPolarHBondContact O-CB 3.35Å; S374-S377 PolarHBondContact O-N 3.13Å; S374-S377 WeakPolarHBondContact OG-CB 3.44Å; S374-S377 PolarHBondContact OG-N 3.13Å; S374-S377 PolarHBondContact OG-OG 3.02Å; V375-S377 VanDerWaalsContact C-N 3.35Å
378	V	89.9	Confident	88.1	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-72.3	-40.8	176.8	-175	0	0	0	0	111.4	P296 I361 T373 S374 V375 Q376 Y380 V381 A382 C388 L390 L400 L405	P296-V378 HydrophobicContact CB-CG1 3.8Å; P296-V378 HydrophobicContact CG-CG1 3.33Å; I361-V378 HydrophobicContact CD1-CG2 3.89Å; I361-V378 HydrophobicContact CG1-CG2 4.48Å; T373-V378 HydrophobicContact CG2-CG2 3.73Å; S374-V378 PolarHBondContact O-N 3.41Å; V375-V378 PolarHBondContact O-N 3.32Å; Q376-V378 VanDerWaalsContact C-N 3.3Å; Q376-V378 PolarHBondContact O-N 2.99Å; V378-Y380 PolarHBondContact O-N 3.19Å; V378-V381 PolarHBondContact O-N 2.84Å; V378-A382 WeakPolarHBondContact O-CB 3.4Å; V378-A382 PolarHBondContact O-N 3.22Å; V378-A382 VanDerWaalsContact O-N 3.12Å; V378-C388 HydrophobicContact CG1-CB 4.48Å; V378-L390 HydrophobicContact CG1-CD1 4.3Å; V378-L390 HydrophobicContact CG2-CD1 4.28Å; V378-L390 HydrophobicContact CG2-CD2 4.13Å; V378-L400 HydrophobicContact CB-CD2 4.46Å; V378-L400 HydrophobicContact CG1-CD2 4.08Å; V378-L405 HydrophobicContact CB-CD1 4.07Å; V378-L405 HydrophobicContact CG1-CD1 3.83Å
379	K	89.4	Confident	88.5	Confident	66 Å²	66	45.2 Å²	45.2	29%	0.287	22%	0.218	S	C	.	.	H	α-helix	trans	-58.7	-45	175.9	-73.8	-163.4	176.5	-159.2	0	112	V375 Q376 V381 A382 E383 A403 L405	V375-K379 HydrophobicContact CG1-CD 4.41Å; V375-K379 HydrophobicContact CG1-CG 4.47Å; V375-K379 WeakPolarHBondContact O-CG 3.38Å; V375-K379 PolarHBondContact O-N 3.46Å; Q376-K379 PolarHBondContact O-N 3.42Å; K379-V381 VanDerWaalsContact C-N 3.25Å; K379-V381 PolarHBondContact O-N 2.81Å; K379-A382 PolarHBondContact O-N 2.63Å; K379-A382 VanDerWaalsContact O-N 3.11Å; K379-E383 WeakPolarHBondContact O-CB 3.43Å; K379-E383 VanDerWaalsContact O-CG 3.29Å; K379-E383 WeakPolarHBondContact O-CG 3.33Å; K379-E383 PolarHBondContact O-N 3.31Å; K379-A403 WeakPolarHBondContact CE-O 3.26Å; K379-A403 PolarHBondContact NZ-O 3.16Å; K379-A403 VanDerWaalsContact NZ-O 3.09Å; K379-L405 HydrophobicContact CG-CD1 3.77Å; K379-L405 HydrophobicContact CG-CD2 4.08Å; K379-L405 HydrophobicContact CG-CG 4.14Å
380	Y	86.8	Confident	88.9	Confident	125 Å²	125	43.5 Å²	43.5	49%	0.49	21%	0.209	S	C	.	.	H	α-helix	trans	-58.1	-31.6	179.1	-179.4	-101.8	0	0	0	114.4	Q376 V378 R384	Q376-Y380 PolarHBondContact O-N 2.97Å; V378-Y380 PolarHBondContact O-N 3.19Å; Y380-R384 WeakPolarHBondContact O-CD 3.05Å; Y380-R384 WeakPolarHBondContact O-CG 3.28Å; Y380-R384 PolarHBondContact OH-NH1 3.1Å
381	V	88.4	Confident	89	Confident	17 Å²	17	47.6 Å²	47.6	10%	0.103	23%	0.231	C	C	.	.	H	α-helix	trans	-80.6	-43.8	175.3	-177.4	0	0	0	0	110.6	V378 K379 R384 K386 C388	V378-V381 PolarHBondContact O-N 2.84Å; K379-V381 VanDerWaalsContact C-N 3.25Å; K379-V381 PolarHBondContact O-N 2.81Å; V381-R384 PolarHBondContact O-N 3.32Å; V381-K386 CarbonylContact C-O 3.15Å; V381-K386 HydrophobicContact CG1-CB 4.05Å; V381-K386 PolarHBondContact O-N 2.63Å; V381-C388 HydrophobicContact CB-CB 3.99Å; V381-C388 HydrophobicContact CG1-CB 3.81Å
382	A	90.4	Very high	89.2	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-61.8	-46.3	-179.5	0	0	0	0	0	113.4	Y293 A294 V378 K379 R384 G385 L405	Y293-A382 HydrophobicContact CD2-CB 4.08Å; A294-A382 PolarHBondContact N-O 2.77Å; A294-A382 WeakPolarHBondContact O-CA 3.47Å; A294-A382 WeakPolarHBondContact O-CB 3.24Å; V378-A382 WeakPolarHBondContact O-CB 3.4Å; V378-A382 PolarHBondContact O-N 3.22Å; V378-A382 VanDerWaalsContact O-N 3.12Å; K379-A382 PolarHBondContact O-N 2.63Å; K379-A382 VanDerWaalsContact O-N 3.11Å; A382-R384 PolarHBondContact O-N 2.86Å; A382-G385 PolarHBondContact O-N 2.79Å; A382-L405 HydrophobicContact CB-CD2 4.26Å
383	E	90.1	Very high	89.3	Confident	133 Å²	133	47.7 Å²	47.7	62%	0.621	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-16.4	178.9	-69.9	165.5	-170.1	0	0	112.7	K379 G385	K379-E383 WeakPolarHBondContact O-CB 3.43Å; K379-E383 VanDerWaalsContact O-CG 3.29Å; K379-E383 WeakPolarHBondContact O-CG 3.33Å; K379-E383 PolarHBondContact O-N 3.31Å; E383-G385 VanDerWaalsContact C-N 3.3Å
384	R	88.7	Confident	89.4	Confident	169 Å²	169	47.3 Å²	47.3	64%	0.638	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.9	15.1	174.9	-61.6	175.4	88.2	-168.2	9.4	112.6	Y380 V381 A382 K386	Y380-R384 WeakPolarHBondContact O-CD 3.05Å; Y380-R384 WeakPolarHBondContact O-CG 3.28Å; Y380-R384 PolarHBondContact OH-NH1 3.1Å; V381-R384 PolarHBondContact O-N 3.32Å; A382-R384 PolarHBondContact O-N 2.86Å; R384-K386 VanDerWaalsContact C-N 3.31Å; R384-K386 PolarHBondContact O-N 2.85Å
385	G	88.9	Confident	89.5	Confident	52 Å²	52	51.2 Å²	51.2	54%	0.536	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.5	14	176.2	0	0	0	0	0	114.8	A294 A382 E383	A294-G385 VanDerWaalsContact CB-C 3.44Å; A382-G385 PolarHBondContact O-N 2.79Å; E383-G385 VanDerWaalsContact C-N 3.3Å
386	K	91.7	Very high	89.6	Confident	64 Å²	64	50 Å²	50	28%	0.278	25%	0.248	S	C	.	.			trans	-111.5	134.7	177.7	-61.8	-161.1	178.9	-168.2	0	111.7	A294 P316 D317 K318 V381 R384 C388	A294-K386 VanDerWaalsContact CB-C 3.43Å; P316-K386 PolarHBondContact O-NZ 2.7Å; D317-K386 VanDerWaalsContact O-CE 3.23Å; D317-K386 WeakPolarHBondContact O-CE 3.45Å; D317-K386 IonicContact OD1-NZ 3.51Å; K318-K386 CarbonylContact O-C 3.47Å; K318-K386 WeakPolarHBondContact O-CA 3.46Å; V381-K386 CarbonylContact C-O 3.15Å; V381-K386 HydrophobicContact CG1-CB 4.05Å; V381-K386 PolarHBondContact O-N 2.63Å; R384-K386 VanDerWaalsContact C-N 3.31Å; R384-K386 PolarHBondContact O-N 2.85Å; K386-C388 PolarHBondContact O-N 2.95Å
387	H	93.3	Very high	89.9	Confident	17 Å²	17	42.8 Å²	42.8	8%	0.079	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	111.7	171.3	-63.7	-73.4	0	0	0	109.1	R295 V297 K318 F319 G320 V389 S474	R295-H387 PolarHBondContact O-ND1 2.65Å; V297-H387 HydrophobicContact CG2-CB 4Å; K318-H387 PolarHBondContact O-N 2.82Å; F319-H387 WeakPolarHBondContact CA-O 3.45Å; F319-H387 HydrophobicContact CD1-CB 3.68Å; F319-H387 HydrophobicContact CE1-CB 3.91Å; G320-H387 PolarHBondContact N-O 2.97Å; H387-V389 PolarHBondContact O-N 3.41Å; H387-S474 PolarHBondContact CE1-OG 2.81Å; H387-S474 PolarHBondContact NE2-OG 2.73Å
388	C	92.3	Very high	90.1	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	116.3	168.9	176.4	0	0	0	0	109.9	P296 V297 G320 C322 V378 V381 K386 L390	P296-C388 CarbonylContact C-O 3.55Å; P296-C388 WeakPolarHBondContact CA-O 3.31Å; V297-C388 PolarHBondContact N-O 3.38Å; G320-C388 CarbonylContact O-C 3.57Å; G320-C388 WeakPolarHBondContact O-CA 3.34Å; C322-C388 WeakPolarHBondContact CB-SG 3.42Å; C322-C388 PolarHBondContact N-SG 2.97Å; C322-C388 WeakPolarHBondContact SG-CB 3.45Å; C322-C388 CovalentContact SG-SG 2.03Å; C322-C388 PolarHBondContact SG-SG 3.09Å; V378-C388 HydrophobicContact CG1-CB 4.48Å; V381-C388 HydrophobicContact CB-CB 3.99Å; V381-C388 HydrophobicContact CG1-CB 3.81Å; K386-C388 PolarHBondContact O-N 2.95Å; C388-L390 WeakPolarHBondContact SG-CD2 3.36Å
389	V	92.3	Very high	90.1	Very high	7 Å²	7	51.7 Å²	51.7	4%	0.042	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	117.9	168.6	-179.1	0	0	0	0	108.1	N308 I312 F319 G320 H387	N308-V389 HydrophobicContact CB-CG1 3.79Å; I312-V389 HydrophobicContact CD1-CB 4.2Å; I312-V389 HydrophobicContact CD1-CG1 4.39Å; I312-V389 HydrophobicContact CG1-CB 4.38Å; I312-V389 HydrophobicContact CG1-CG2 4.18Å; F319-V389 HydrophobicContact CB-CG2 4.04Å; F319-V389 HydrophobicContact CD1-CG2 3.65Å; F319-V389 HydrophobicContact CG-CG2 4.14Å; G320-V389 PolarHBondContact O-N 2.9Å; H387-V389 PolarHBondContact O-N 3.41Å
390	L	90.9	Very high	90.3	Very high	4 Å²	4	48.5 Å²	48.5	2%	0.021	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	125.9	-174	-71.7	170.9	0	0	0	111.2	P296 V297 I298 C322 I361 T373 V378 C388 V392 L400	P296-L390 HydrophobicContact CB-CD1 3.92Å; V297-L390 PolarHBondContact O-N 2.94Å; I298-L390 HydrophobicContact CD1-CD1 4.33Å; I298-L390 HydrophobicContact CG1-CB 3.87Å; I298-L390 HydrophobicContact CG1-CD1 4.15Å; C322-L390 HydrophobicContact CB-CD2 4.01Å; I361-L390 HydrophobicContact CD1-CD1 3.73Å; I361-L390 HydrophobicContact CD1-CD2 4.06Å; T373-L390 HydrophobicContact CG2-CD2 4.17Å; V378-L390 HydrophobicContact CG1-CD1 4.3Å; V378-L390 HydrophobicContact CG2-CD1 4.28Å; V378-L390 HydrophobicContact CG2-CD2 4.13Å; C388-L390 WeakPolarHBondContact SG-CD2 3.36Å; L390-V392 HydrophobicContact CB-CG1 4.41Å; L390-V392 HydrophobicContact CB-CG2 3.98Å; L390-L400 HydrophobicContact CD1-CD1 3.74Å
391	D	87.6	Confident	90.5	Very high	99 Å²	99	45 Å²	45	53%	0.529	22%	0.223	S	C	.	.			trans	-96.7	98.9	163.6	-168.8	9.9	0	0	0	110	K304	K304-D391 WeakPolarHBondContact CE-OD1 3.45Å; K304-D391 IonicContact NZ-OD1 3.72Å; K304-D391 PolarHBondContact NZ-OD1 2.8Å; K304-D391 IonicContact NZ-OD2 2.66Å; K304-D391 PolarHBondContact NZ-OD2 3.12Å
392	V	87.9	Confident	90.6	Very high	8 Å²	8	50.2 Å²	50.2	5%	0.048	26%	0.255	C	S	.	.			trans	-149.1	164.7	-172.8	-69	0	0	0	0	110.7	I298 L300 I361 E362 L390 A396	I298-V392 HydrophobicContact CD1-CG2 3.71Å; I298-V392 HydrophobicContact CG1-CG2 3.89Å; I298-V392 HydrophobicContact CG2-CG2 4.35Å; L300-V392 WeakPolarHBondContact CD2-O 3.05Å; I361-V392 HydrophobicContact CD1-CG1 4.19Å; E362-V392 HydrophobicContact CB-CB 4.49Å; E362-V392 HydrophobicContact CB-CG1 4.1Å; E362-V392 VanDerWaalsContact OE1-CA 3.28Å; E362-V392 WeakPolarHBondContact OE1-CA 3.48Å; L390-V392 HydrophobicContact CB-CG1 4.41Å; L390-V392 HydrophobicContact CB-CG2 3.98Å; V392-A396 HydrophobicContact CB-CB 3.78Å; V392-A396 HydrophobicContact CG1-CB 4.41Å; V392-A396 HydrophobicContact CG2-CB 3.53Å
393	S	89.1	Confident	90.6	Very high	43 Å²	43	51.1 Å²	51.1	30%	0.301	26%	0.262	S	S	.	.			trans	-72.7	161.7	171.5	79.6	0	0	0	0	113.3	E362 N395 A396	E362-S393 PolarHBondContact OE1-N 3.33Å; E362-S393 WeakPolarHBondContact OE2-CB 3.45Å; E362-S393 PolarHBondContact OE2-N 2.98Å; E362-S393 PolarHBondContact OE2-OG 2.77Å; S393-N395 PolarHBondContact O-N 3.48Å; S393-A396 WeakPolarHBondContact O-CB 3.42Å; S393-A396 PolarHBondContact O-N 2.89Å
394	G	88.4	Confident	90.7	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.01	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-18.9	176.6	0	0	0	0	0	114.8	A396 I397	G394-A396 VanDerWaalsContact C-N 3.27Å; G394-A396 PolarHBondContact O-N 3.24Å; G394-I397 WeakPolarHBondContact O-CB 3.38Å; G394-I397 WeakPolarHBondContact O-CG1 3.26Å; G394-I397 PolarHBondContact O-N 3.06Å
395	N	90.4	Very high	90.8	Very high	88 Å²	88	43.4 Å²	43.4	47%	0.471	23%	0.234	S	C	.	.	H	α-helix	trans	-66.1	-29.1	174.4	-65.3	-57.1	0	0	0	112.7	S393 I397 K398 R399	S393-N395 PolarHBondContact O-N 3.48Å; N395-I397 PolarHBondContact O-N 3.03Å; N395-K398 PolarHBondContact O-N 3.16Å; N395-R399 PolarHBondContact O-N 3.4Å
396	A	90.6	Very high	91	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-64.7	-27	176.5	0	0	0	0	0	112.1	I298 I361 V392 S393 G394 K398 R399 L400	I298-A396 HydrophobicContact CD1-CB 4.47Å; I361-A396 HydrophobicContact CB-CB 4.32Å; I361-A396 HydrophobicContact CD1-CB 4.38Å; V392-A396 HydrophobicContact CB-CB 3.78Å; V392-A396 HydrophobicContact CG1-CB 4.41Å; V392-A396 HydrophobicContact CG2-CB 3.53Å; S393-A396 WeakPolarHBondContact O-CB 3.42Å; S393-A396 PolarHBondContact O-N 2.89Å; G394-A396 VanDerWaalsContact C-N 3.27Å; G394-A396 PolarHBondContact O-N 3.24Å; A396-K398 PolarHBondContact O-N 3.07Å; A396-R399 PolarHBondContact O-N 3.37Å; A396-L400 WeakPolarHBondContact O-CB 3.21Å; A396-L400 WeakPolarHBondContact O-CG 3.42Å; A396-L400 PolarHBondContact O-N 3.04Å
397	I	93.6	Very high	91.2	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-59.7	-48.7	175.2	-54.7	165.3	0	0	0	109.9	I298 L300 G394 N395 R399 L400 Q401 P407 A409 L449 F450	I298-I397 HydrophobicContact CD1-CG1 3.86Å; I298-I397 HydrophobicContact CG2-CG1 4.37Å; L300-I397 HydrophobicContact CD1-CD1 4.38Å; G394-I397 WeakPolarHBondContact O-CB 3.38Å; G394-I397 WeakPolarHBondContact O-CG1 3.26Å; G394-I397 PolarHBondContact O-N 3.06Å; N395-I397 PolarHBondContact O-N 3.03Å; I397-R399 VanDerWaalsContact C-N 3.33Å; I397-R399 PolarHBondContact O-N 3.18Å; I397-L400 PolarHBondContact O-N 3.19Å; I397-Q401 WeakPolarHBondContact O-CG 3.18Å; I397-Q401 PolarHBondContact O-N 2.9Å; I397-P407 HydrophobicContact CG2-CG 4.09Å; I397-A409 HydrophobicContact CD1-CB 3.83Å; I397-A409 HydrophobicContact CG1-CB 4.14Å; I397-A409 HydrophobicContact CG2-CB 4.19Å; I397-L449 HydrophobicContact CB-CD1 3.97Å; I397-L449 HydrophobicContact CG2-CB 3.84Å; I397-L449 HydrophobicContact CG2-CD1 3.99Å; I397-L449 HydrophobicContact CG2-CG 4.5Å; I397-F450 HydrophobicContact CD1-CE1 4.15Å
398	K	91.4	Very high	91.4	Very high	87 Å²	87	38.5 Å²	38.5	38%	0.378	20%	0.198	S	C	.	.	H	α-helix	trans	-61.7	-39.7	177.1	-60.6	-160.9	177.5	-156.7	0	111.6	N395 A396 V402 E448 L449	N395-K398 PolarHBondContact O-N 3.16Å; A396-K398 PolarHBondContact O-N 3.07Å; K398-V402 WeakPolarHBondContact O-CG2 3.4Å; K398-V402 PolarHBondContact O-N 3.39Å; K398-V402 VanDerWaalsContact O-N 3.14Å; K398-E448 IonicContact NZ-OE1 2.65Å; K398-E448 PolarHBondContact NZ-OE1 3.04Å; K398-L449 HydrophobicContact CD-CD1 4.13Å; K398-L449 VanDerWaalsContact CE-CD1 3.48Å; K398-L449 HydrophobicContact CG-CD1 3.45Å; K398-L449 VanDerWaalsContact CG-CD1 3.45Å; K398-L449 HydrophobicContact CG-CD2 4.15Å; K398-L449 HydrophobicContact CG-CG 4.43Å
399	R	91.1	Very high	91.6	Very high	104 Å²	104	38.5 Å²	38.5	39%	0.392	20%	0.198	S	C	.	.	H	α-helix	trans	-68.6	-39.1	177.5	-61.8	-166.9	-165.4	171.1	5.9	113	F360 I361 N395 A396 I397 V402 A403	F360-R399 VanDerWaalsContact O-CD 3.29Å; F360-R399 WeakPolarHBondContact O-CD 3.13Å; F360-R399 PolarHBondContact O-NH1 3.07Å; I361-R399 HydrophobicContact CG2-CB 4.47Å; I361-R399 WeakPolarHBondContact O-CD 3.5Å; I361-R399 PolarHBondContact O-NH1 2.97Å; N395-R399 PolarHBondContact O-N 3.4Å; A396-R399 PolarHBondContact O-N 3.37Å; I397-R399 VanDerWaalsContact C-N 3.33Å; I397-R399 PolarHBondContact O-N 3.18Å; R399-V402 PolarHBondContact O-N 3.07Å; R399-A403 WeakPolarHBondContact O-CB 3.28Å; R399-A403 PolarHBondContact O-N 2.82Å
400	L	92.5	Very high	91.8	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-70.6	-31.7	176.9	-73.8	163.5	0	0	0	112.9	I298 I361 V378 L390 A396 I397 A403 Q404 L405 H406 P407	I298-L400 HydrophobicContact CD1-CD1 3.6Å; I361-L400 HydrophobicContact CB-CG 4.45Å; I361-L400 HydrophobicContact CD1-CD1 4.15Å; I361-L400 HydrophobicContact CD1-CD2 4.36Å; I361-L400 HydrophobicContact CD1-CG 4.37Å; I361-L400 HydrophobicContact CG2-CD2 3.74Å; I361-L400 HydrophobicContact CG2-CG 3.88Å; V378-L400 HydrophobicContact CB-CD2 4.46Å; V378-L400 HydrophobicContact CG1-CD2 4.08Å; L390-L400 HydrophobicContact CD1-CD1 3.74Å; A396-L400 WeakPolarHBondContact O-CB 3.21Å; A396-L400 WeakPolarHBondContact O-CG 3.42Å; A396-L400 PolarHBondContact O-N 3.04Å; I397-L400 PolarHBondContact O-N 3.19Å; L400-A403 PolarHBondContact O-N 3.39Å; L400-Q404 PolarHBondContact O-N 3.14Å; L400-L405 HydrophobicContact CB-CB 4.45Å; L400-L405 HydrophobicContact CD2-CB 4.06Å; L400-L405 HydrophobicContact CD2-CD1 3.62Å; L400-L405 PolarHBondContact O-N 2.99Å; L400-H406 PolarHBondContact O-N 2.92Å; L400-P407 HydrophobicContact CB-CG 3.84Å; L400-P407 HydrophobicContact CD1-CB 4.11Å; L400-P407 HydrophobicContact CD1-CG 4.01Å
401	Q	91.1	Very high	92.1	Very high	50 Å²	50	38 Å²	38	23%	0.234	20%	0.195	C	C	.	.	H	α-helix	trans	-63.5	-46.2	168.9	-72.4	169.2	-25.8	0	0	111.1	I397 A403 Q404	I397-Q401 WeakPolarHBondContact O-CG 3.18Å; I397-Q401 PolarHBondContact O-N 2.9Å; Q401-A403 VanDerWaalsContact C-N 3.28Å; Q401-A403 PolarHBondContact O-N 2.89Å; Q401-Q404 PolarHBondContact O-N 3.4Å; Q401-Q404 VanDerWaalsContact O-N 3.09Å
402	V	90.3	Very high	92.4	Very high	127 Å²	127	33.4 Å²	33.4	77%	0.77	17%	0.171	S	C	*	.	H	α-helix	trans	-62.8	-34.2	174.9	172.4	0	0	0	0	112.1	K398 R399 Q404	K398-V402 WeakPolarHBondContact O-CG2 3.4Å; K398-V402 PolarHBondContact O-N 3.39Å; K398-V402 VanDerWaalsContact O-N 3.14Å; R399-V402 PolarHBondContact O-N 3.07Å; V402-Q404 PolarHBondContact O-N 3.25Å
403	A	90.3	Very high	92.6	Very high	19 Å²	19	35.6 Å²	35.6	16%	0.157	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	3	175.2	0	0	0	0	0	115	V375 K379 R399 L400 Q401 L405	V375-A403 HydrophobicContact CG1-CB 3.65Å; V375-A403 HydrophobicContact CG2-CB 4.12Å; K379-A403 WeakPolarHBondContact CE-O 3.26Å; K379-A403 PolarHBondContact NZ-O 3.16Å; K379-A403 VanDerWaalsContact NZ-O 3.09Å; R399-A403 WeakPolarHBondContact O-CB 3.28Å; R399-A403 PolarHBondContact O-N 2.82Å; L400-A403 PolarHBondContact O-N 3.39Å; Q401-A403 VanDerWaalsContact C-N 3.28Å; Q401-A403 PolarHBondContact O-N 2.89Å; A403-L405 VanDerWaalsContact C-N 3.26Å; A403-L405 PolarHBondContact O-N 3.41Å
404	Q	91.8	Very high	92.4	Very high	136 Å²	136	34.2 Å²	34.2	64%	0.636	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.7	30.2	-175.1	-61.7	178.3	-33.3	0	0	114.2	Y293 L400 Q401 V402 H406	Y293-Q404 PolarHBondContact OH-O 2.84Å; Y293-Q404 VanDerWaalsContact OH-O 3.08Å; L400-Q404 PolarHBondContact O-N 3.14Å; Q401-Q404 PolarHBondContact O-N 3.4Å; Q401-Q404 VanDerWaalsContact O-N 3.09Å; V402-Q404 PolarHBondContact O-N 3.25Å; Q404-H406 VanDerWaalsContact C-CD2 3.48Å
405	L	91.9	Very high	92.3	Very high	4 Å²	4	38.7 Å²	38.7	2%	0.021	19%	0.19	C	C	.	.			trans	-97.9	-17	176.3	-85.2	171.8	0	0	0	113.9	Y293 P296 V378 K379 A382 L400 A403	Y293-L405 HydrophobicContact CD2-CD2 3.95Å; Y293-L405 HydrophobicContact CE2-CD2 3.77Å; Y293-L405 WeakPolarHBondContact CE2-O 3.43Å; Y293-L405 PolarHBondContact OH-O 3.49Å; P296-L405 HydrophobicContact CG-CB 4.24Å; P296-L405 HydrophobicContact CG-CD1 4.39Å; P296-L405 HydrophobicContact CG-CD2 4.3Å; V378-L405 HydrophobicContact CB-CD1 4.07Å; V378-L405 HydrophobicContact CG1-CD1 3.83Å; K379-L405 HydrophobicContact CG-CD1 3.77Å; K379-L405 HydrophobicContact CG-CD2 4.08Å; K379-L405 HydrophobicContact CG-CG 4.14Å; A382-L405 HydrophobicContact CB-CD2 4.26Å; L400-L405 HydrophobicContact CB-CB 4.45Å; L400-L405 HydrophobicContact CD2-CB 4.06Å; L400-L405 HydrophobicContact CD2-CD1 3.62Å; L400-L405 PolarHBondContact O-N 2.99Å; A403-L405 VanDerWaalsContact C-N 3.26Å; A403-L405 PolarHBondContact O-N 3.41Å
406	H	93.5	Very high	92.2	Very high	25 Å²	25	36.1 Å²	36.1	12%	0.116	18%	0.179	C	C	.	.			trans	41.3	67.4	170.6	-57.9	-77.5	0	0	0	114.2	R295 L400 Q404 I478 I480	R295-H406 VanDerWaalsContact CZ-O 3.29Å; R295-H406 PolarHBondContact NE-O 3.45Å; R295-H406 PolarHBondContact NH2-O 3.03Å; L400-H406 PolarHBondContact O-N 2.92Å; Q404-H406 VanDerWaalsContact C-CD2 3.48Å; H406-I478 HydrophobicContact CB-CD1 3.97Å; H406-I480 HydrophobicContact CB-CG2 4.36Å
407	P	95.5	Very high	92	Very high	5 Å²	5	37.7 Å²	37.7	3%	0.032	19%	0.192	C	C	.	.			trans	-65.5	157	-169	30.5	-36.5	0	0	0	112.3	R295 P296 I298 I397 L400 A409	R295-P407 PolarHBondContact NH2-O 3.3Å; P296-P407 HydrophobicContact CB-CB 4.28Å; P296-P407 CarbonylContact O-C 3.5Å; P296-P407 WeakPolarHBondContact O-CA 3.43Å; P296-P407 VanDerWaalsContact O-CB 3.32Å; P296-P407 WeakPolarHBondContact O-CB 3.28Å; I298-P407 HydrophobicContact CD1-CB 4.37Å; I298-P407 HydrophobicContact CD1-CG 4.41Å; I397-P407 HydrophobicContact CG2-CG 4.09Å; L400-P407 HydrophobicContact CB-CG 3.84Å; L400-P407 HydrophobicContact CD1-CB 4.11Å; L400-P407 HydrophobicContact CD1-CG 4.01Å; P407-A409 PolarHBondContact O-N 2.95Å
408	I	96.3	Very high	91.5	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	102.9	165.6	-56.2	172.7	0	0	0	106.2	R295 P296 V297 I298 I410 T451 V469 I470 H473	R295-I408 HydrophobicContact CB-CD1 4.16Å; R295-I408 HydrophobicContact CB-CG1 3.99Å; P296-I408 PolarHBondContact O-N 2.95Å; V297-I408 WeakPolarHBondContact CA-O 3.44Å; V297-I408 HydrophobicContact CG2-CB 4.27Å; V297-I408 HydrophobicContact CG2-CD1 4.34Å; I298-I408 PolarHBondContact N-O 3.42Å; I408-I410 HydrophobicContact CG2-CD1 4.29Å; I408-I410 HydrophobicContact CG2-CG1 4.19Å; I408-T451 HydrophobicContact CG2-CG2 4.47Å; I408-V469 HydrophobicContact CG2-CG1 4.37Å; I408-I470 HydrophobicContact CD1-CG2 4.33Å; I408-I470 HydrophobicContact CG2-CG1 4.37Å; I408-H473 HydrophobicContact CD1-CB 3.82Å; I408-H473 HydrophobicContact CG1-CB 4.01Å; I408-H473 HydrophobicContact CG2-CB 4.44Å
409	A	96.4	Very high	91.3	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	117.4	-177.5	0	0	0	0	0	110.1	I298 I397 P407 F450 T451 A452	I298-A409 CarbonylContact O-C 3.48Å; I298-A409 WeakPolarHBondContact O-CA 3.34Å; I397-A409 HydrophobicContact CD1-CB 3.83Å; I397-A409 HydrophobicContact CG1-CB 4.14Å; I397-A409 HydrophobicContact CG2-CB 4.19Å; P407-A409 PolarHBondContact O-N 2.95Å; A409-F450 HydrophobicContact CB-CD1 4.11Å; A409-F450 CarbonylContact O-C 3.49Å; A409-T451 PolarHBondContact N-OG1 3.44Å; A409-T451 WeakPolarHBondContact O-CA 3.23Å; A409-T451 WeakPolarHBondContact O-CB 3.27Å; A409-T451 PolarHBondContact O-N 2.69Å; A409-A452 PolarHBondContact O-N 3.43Å
410	I	96.9	Very high	91	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	131	-177.6	-55.4	178.4	0	0	0	109.3	I298 I299 L300 I408 V454 C466 V469 I470	I298-I410 PolarHBondContact O-N 3.3Å; I299-I410 HydrophobicContact CG1-CB 4.45Å; L300-I410 PolarHBondContact N-O 2.97Å; I408-I410 HydrophobicContact CG2-CD1 4.29Å; I408-I410 HydrophobicContact CG2-CG1 4.19Å; I410-V454 HydrophobicContact CG2-CB 4.03Å; I410-V454 HydrophobicContact CG2-CG2 3.57Å; I410-C466 HydrophobicContact CD1-CB 4.37Å; I410-V469 HydrophobicContact CD1-CB 4.04Å; I410-V469 HydrophobicContact CD1-CG1 3.64Å; I410-V469 HydrophobicContact CG1-CG1 3.93Å; I410-I470 HydrophobicContact CD1-CD1 4.45Å; I410-I470 HydrophobicContact CD1-CG1 4.03Å
411	L	96.6	Very high	90.6	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	121.1	166.9	-175.7	65.5	0	0	0	110	L300 K413 L442 E443 F450 A452 L453 V454	L300-L411 HydrophobicContact CB-CD1 4.02Å; L411-K413 HydrophobicContact CD2-CG 4.29Å; L411-K413 HydrophobicContact CG-CG 4.38Å; L411-K413 PolarHBondContact O-N 2.73Å; L411-L442 HydrophobicContact CD1-CB 4.04Å; L411-L442 HydrophobicContact CD1-CD1 4.34Å; L411-E443 HydrophobicContact CD2-CB 3.66Å; L411-E443 HydrophobicContact CD2-CG 4.12Å; L411-F450 HydrophobicContact CB-CD1 3.83Å; L411-F450 HydrophobicContact CB-CD2 4.03Å; L411-F450 HydrophobicContact CB-CE1 3.77Å; L411-F450 HydrophobicContact CB-CE2 3.98Å; L411-F450 HydrophobicContact CB-CG 3.97Å; L411-F450 HydrophobicContact CB-CZ 3.85Å; L411-F450 HydrophobicContact CD1-CE1 4.44Å; L411-F450 HydrophobicContact CD1-CZ 4.04Å; L411-F450 HydrophobicContact CD2-CD2 4.29Å; L411-F450 HydrophobicContact CD2-CE2 3.83Å; L411-F450 HydrophobicContact CD2-CZ 4.18Å; L411-F450 HydrophobicContact CG-CE2 4.33Å; L411-F450 HydrophobicContact CG-CZ 4.25Å; L411-A452 PolarHBondContact N-O 2.81Å; L411-L453 HydrophobicContact CB-CD2 3.76Å; L411-L453 HydrophobicContact CD2-CD2 4.1Å; L411-L453 HydrophobicContact CG-CD2 4.46Å; L411-V454 PolarHBondContact O-N 2.92Å
412	I	95.5	Very high	90.2	Very high	3 Å²	3	41.7 Å²	41.7	2%	0.015	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	115.6	167.5	-59.2	169	0	0	0	107.6	I299 L300 P302 I307 I462	I299-I412 HydrophobicContact CG2-CD1 3.61Å; I299-I412 HydrophobicContact CG2-CG1 4.06Å; L300-I412 PolarHBondContact O-N 3.35Å; P302-I412 WeakPolarHBondContact CD-O 3.47Å; P302-I412 VanDerWaalsContact O-CD1 3.28Å; P302-I412 WeakPolarHBondContact O-CD1 3.4Å; I307-I412 HydrophobicContact CG1-CD1 4.06Å; I412-I462 HydrophobicContact CD1-CG2 3.84Å; I412-I462 HydrophobicContact CG1-CG2 3.97Å; I412-I462 HydrophobicContact CG2-CD1 4.1Å; I412-I462 HydrophobicContact CG2-CG2 3.97Å
413	K	91.7	Very high	89.7	Confident	54 Å²	54	37.4 Å²	37.4	24%	0.235	20%	0.199	C	C	.	.			trans	-95.3	124.8	-178.8	-73.2	-175.7	59.9	163.8	0	111.9	L411 E443 L453 V454 Q455	L411-K413 HydrophobicContact CD2-CG 4.29Å; L411-K413 HydrophobicContact CG-CG 4.38Å; L411-K413 PolarHBondContact O-N 2.73Å; K413-E443 VanDerWaalsContact CE-OE1 3.31Å; K413-E443 WeakPolarHBondContact CE-OE1 3.45Å; K413-E443 WeakPolarHBondContact CE-OE2 3.34Å; K413-E443 IonicContact NZ-OE1 2.68Å; K413-E443 PolarHBondContact NZ-OE1 3.14Å; K413-E443 IonicContact NZ-OE2 3.21Å; K413-E443 PolarHBondContact NZ-OE2 2.95Å; K413-L453 HydrophobicContact CD-CB 3.78Å; K413-L453 HydrophobicContact CD-CD1 4Å; K413-L453 HydrophobicContact CD-CD2 4.29Å; K413-L453 HydrophobicContact CD-CG 4.23Å; K413-L453 HydrophobicContact CG-CB 4.43Å; K413-V454 PolarHBondContact N-O 2.95Å; K413-Q455 HydrophobicContact CB-CB 4.39Å; K413-Q455 PolarHBondContact O-NE2 2.98Å
414	A	84.8	Confident	89.3	Confident	15 Å²	15	39 Å²	39	12%	0.124	21%	0.205	C	C	.	.			trans	-72.5	137.7	169.1	0	0	0	0	0	111.4	P302 L420 F436	P302-A414 HydrophobicContact CG-CB 4.4Å; A414-L420 HydrophobicContact CB-CD1 3.61Å; A414-L420 HydrophobicContact CB-CD2 3.88Å; A414-L420 HydrophobicContact CB-CG 3.7Å; A414-F436 HydrophobicContact CB-CD2 3.56Å; A414-F436 HydrophobicContact CB-CE2 3.89Å
415	K	85.9	Confident	88.6	Confident	94 Å²	94	40.2 Å²	40.2	41%	0.409	21%	0.208	S	C	.	.	S	Bend	trans	-75.5	-46.3	173.2	-64.6	-175.6	-178.3	-173.3	0	111.7	Q455 D457	K415-Q455 HydrophobicContact CD-CG 4.38Å; K415-Q455 HydrophobicContact CG-CG 3.77Å; K415-D457 WeakPolarHBondContact CE-OD1 3.36Å; K415-D457 IonicContact NZ-OD1 3.03Å; K415-D457 PolarHBondContact NZ-OD1 3.14Å; K415-D457 IonicContact NZ-OD2 3.98Å; K415-D457 PolarHBondContact NZ-OD2 2.89Å
416	S	87.5	Confident	88.2	Confident	35 Å²	35	49.2 Å²	49.2	25%	0.245	25%	0.247	C	C	.	.			trans	-151.4	177.5	172	73.9	0	0	0	0	109.6	D418 S419 L420	S416-D418 VanDerWaalsContact CB-OD2 3.23Å; S416-D418 WeakPolarHBondContact CB-OD2 3.27Å; S416-D418 PolarHBondContact OG-N 2.7Å; S416-D418 PolarHBondContact OG-OD2 2.88Å; S416-S419 PolarHBondContact OG-N 2.74Å; S416-S419 VanDerWaalsContact OG-N 3.1Å; S416-L420 PolarHBondContact O-N 2.81Å
417	A	86.4	Confident	87.7	Confident	33 Å²	33	50.2 Å²	50.2	27%	0.273	25%	0.253	S	S	.	.	H	α-helix	trans	-64.5	-42.1	168.1	0	0	0	0	0	111	S419 L420 M421 V432	A417-S419 PolarHBondContact O-N 2.88Å; A417-L420 WeakPolarHBondContact O-CB 3.36Å; A417-L420 PolarHBondContact O-N 2.89Å; A417-L420 VanDerWaalsContact O-N 3.09Å; A417-M421 PolarHBondContact O-N 3.3Å; A417-V432 HydrophobicContact CB-CG1 4.17Å; A417-V432 WeakPolarHBondContact O-CG1 3.46Å
418	D	84.9	Confident	87.4	Confident	112 Å²	112	53.4 Å²	53.4	60%	0.599	27%	0.273	S	S	*	.	H	α-helix	trans	-60.7	-44.7	-178.2	-24	-82.6	0	0	0	111.3	S416 L420 M421 D422	S416-D418 VanDerWaalsContact CB-OD2 3.23Å; S416-D418 WeakPolarHBondContact CB-OD2 3.27Å; S416-D418 PolarHBondContact OG-N 2.7Å; S416-D418 PolarHBondContact OG-OD2 2.88Å; D418-L420 VanDerWaalsContact C-N 3.28Å; D418-L420 PolarHBondContact O-N 2.94Å; D418-M421 WeakPolarHBondContact O-CA 3.47Å; D418-M421 WeakPolarHBondContact O-CB 3.43Å; D418-M421 PolarHBondContact O-N 3.12Å; D418-D422 PolarHBondContact O-N 3.43Å
419	S	85.3	Confident	87	Confident	20 Å²	20	60.5 Å²	60.5	14%	0.14	31%	0.306	C	S	.	.	H	α-helix	trans	-58.7	-35.4	175.2	169.2	0	0	0	0	113	S416 A417 M423	S416-S419 PolarHBondContact OG-N 2.74Å; S416-S419 VanDerWaalsContact OG-N 3.1Å; A417-S419 PolarHBondContact O-N 2.88Å; S419-M423 WeakPolarHBondContact O-CE 3.46Å; S419-M423 PolarHBondContact O-N 2.78Å; S419-M423 VanDerWaalsContact O-N 3.14Å
420	L	85	Confident	86.7	Confident	10 Å²	10	68.2 Å²	68.2	5%	0.052	34%	0.342	C	S	.	.	H	α-helix	trans	-72	-34.1	172.3	-70.1	177.2	0	0	0	112.8	P302 A414 S416 A417 D418 M423 N424 V432 I435 F436	P302-L420 HydrophobicContact CB-CD2 3.55Å; P302-L420 HydrophobicContact CG-CD1 4.22Å; P302-L420 HydrophobicContact CG-CD2 3.63Å; A414-L420 HydrophobicContact CB-CD1 3.61Å; A414-L420 HydrophobicContact CB-CD2 3.88Å; A414-L420 HydrophobicContact CB-CG 3.7Å; S416-L420 PolarHBondContact O-N 2.81Å; A417-L420 WeakPolarHBondContact O-CB 3.36Å; A417-L420 PolarHBondContact O-N 2.89Å; A417-L420 VanDerWaalsContact O-N 3.09Å; D418-L420 VanDerWaalsContact C-N 3.28Å; D418-L420 PolarHBondContact O-N 2.94Å; L420-M423 HydrophobicContact CD2-CE 4.1Å; L420-M423 PolarHBondContact O-N 2.92Å; L420-N424 PolarHBondContact O-N 3.17Å; L420-V432 HydrophobicContact CB-CG1 3.75Å; L420-V432 HydrophobicContact CD1-CG1 4.45Å; L420-I435 HydrophobicContact CD1-CG2 4.08Å; L420-F436 HydrophobicContact CD1-CB 4.01Å; L420-F436 HydrophobicContact CD1-CD2 4.26Å
421	M	85	Confident	86.3	Confident	77 Å²	77	72.5 Å²	72.5	38%	0.379	36%	0.362	S	S	.	.	H	α-helix	trans	-69	-38.6	177.3	-158.7	168.1	-168.2	0	0	111.2	A417 D418 N424 K425 E429 V432	A417-M421 PolarHBondContact O-N 3.3Å; D418-M421 WeakPolarHBondContact O-CA 3.47Å; D418-M421 WeakPolarHBondContact O-CB 3.43Å; D418-M421 PolarHBondContact O-N 3.12Å; M421-N424 CarbonylContact O-C 3.6Å; M421-N424 VanDerWaalsContact O-C 3.24Å; M421-N424 PolarHBondContact O-N 3.16Å; M421-K425 WeakPolarHBondContact O-CA 3.45Å; M421-K425 WeakPolarHBondContact O-CG 3.49Å; M421-K425 PolarHBondContact O-N 2.83Å; M421-K425 VanDerWaalsContact O-N 3.16Å; M421-E429 HydrophobicContact CE-CB 4.25Å; M421-V432 HydrophobicContact CB-CG1 4.29Å; M421-V432 HydrophobicContact CB-CG2 4.21Å; M421-V432 HydrophobicContact CG-CG2 4.24Å
422	D	82.9	Confident	86	Confident	107 Å²	107	72.7 Å²	72.7	57%	0.572	36%	0.363	S	S	*	.	H	α-helix	trans	-66	-41.8	172.8	-92.5	-44.8	0	0	0	112.8	D418 N424 K425	D418-D422 PolarHBondContact O-N 3.43Å; D422-N424 VanDerWaalsContact C-N 3.34Å; D422-N424 PolarHBondContact O-N 2.71Å; D422-K425 WeakPolarHBondContact O-CE 3.3Å; D422-K425 WeakPolarHBondContact O-CG 3.47Å; D422-K425 WeakPolarHBondContact OD1-CE 3.44Å; D422-K425 IonicContact OD1-NZ 3.3Å; D422-K425 PolarHBondContact OD1-NZ 3.38Å
423	M	80.3	Confident	85.8	Confident	37 Å²	37	78 Å²	78	18%	0.182	39%	0.386	C	S	.	.	H	α-helix	trans	-67.7	-29.8	175	-78.9	-173	-84.8	0	0	113.3	M303 S419 L420 D457 I462	M303-M423 HydrophobicContact SD-CB 4.04Å; M303-M423 HydrophobicContact SD-SD 4.26Å; S419-M423 WeakPolarHBondContact O-CE 3.46Å; S419-M423 PolarHBondContact O-N 2.78Å; S419-M423 VanDerWaalsContact O-N 3.14Å; L420-M423 HydrophobicContact CD2-CE 4.1Å; L420-M423 PolarHBondContact O-N 2.92Å; M423-D457 VanDerWaalsContact CG-O 3.25Å; M423-D457 WeakPolarHBondContact CG-O 3.41Å; M423-I462 HydrophobicContact SD-CD1 3.84Å
424	N	80.6	Confident	85.7	Confident	52 Å²	52	83 Å²	83	28%	0.278	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.4	74.3	179.8	-166.9	-3.2	0	0	0	113.2	L420 M421 D422 K426 L427	L420-N424 PolarHBondContact O-N 3.17Å; M421-N424 CarbonylContact O-C 3.6Å; M421-N424 VanDerWaalsContact O-C 3.24Å; M421-N424 PolarHBondContact O-N 3.16Å; D422-N424 VanDerWaalsContact C-N 3.34Å; D422-N424 PolarHBondContact O-N 2.71Å; N424-K426 PolarHBondContact O-N 2.91Å; N424-L427 HydrophobicContact CB-CD1 4.02Å; N424-L427 HydrophobicContact CB-CG 4.32Å; N424-L427 WeakPolarHBondContact ND2-CD1 3.45Å; N424-L427 PolarHBondContact O-N 3.24Å; N424-L427 VanDerWaalsContact O-N 3.09Å
425	K	78.4	Confident	86	Confident	161 Å²	161	85 Å²	85	70%	0.7	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	7.6	-179.9	-57.6	-177.2	179.2	-172.5	0	115.7	M421 D422	M421-K425 WeakPolarHBondContact O-CA 3.45Å; M421-K425 WeakPolarHBondContact O-CG 3.49Å; M421-K425 PolarHBondContact O-N 2.83Å; M421-K425 VanDerWaalsContact O-N 3.16Å; D422-K425 WeakPolarHBondContact O-CE 3.3Å; D422-K425 WeakPolarHBondContact O-CG 3.47Å; D422-K425 WeakPolarHBondContact OD1-CE 3.44Å; D422-K425 IonicContact OD1-NZ 3.3Å; D422-K425 PolarHBondContact OD1-NZ 3.38Å
426	K	82.2	Confident	86.3	Confident	194 Å²	194	83.3 Å²	83.3	84%	0.843	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	-12.5	174.2	-61.6	-178.7	-178.9	176.8	0	113.4	N424	N424-K426 PolarHBondContact O-N 2.91Å
427	L	83.8	Confident	86.5	Confident	46 Å²	46	86.9 Å²	86.9	24%	0.241	42%	0.421	C	S	.	.	S	Bend	trans	-87.9	150.8	-179.7	-64.1	175.5	0	0	0	111.8	N424 Q431 V432 I435	N424-L427 HydrophobicContact CB-CD1 4.02Å; N424-L427 HydrophobicContact CB-CG 4.32Å; N424-L427 WeakPolarHBondContact ND2-CD1 3.45Å; N424-L427 PolarHBondContact O-N 3.24Å; N424-L427 VanDerWaalsContact O-N 3.09Å; L427-Q431 HydrophobicContact CB-CB 4.35Å; L427-Q431 HydrophobicContact CD2-CB 4.4Å; L427-V432 HydrophobicContact CB-CG2 3.66Å; L427-V432 HydrophobicContact CD1-CG2 4.11Å; L427-I435 HydrophobicContact CD1-CD1 3.7Å
428	T	89.4	Confident	86.7	Confident	72 Å²	72	91.8 Å²	91.8	44%	0.442	44%	0.437	S	S	.	.			trans	-78.8	156.3	169	69.2	0	0	0	0	111.2	E430 Q431 V432	T428-E430 PolarHBondContact O-N 2.96Å; T428-Q431 WeakPolarHBondContact O-CB 3.24Å; T428-Q431 PolarHBondContact O-N 3.46Å; T428-Q431 VanDerWaalsContact OG1-CG 3.3Å; T428-Q431 WeakPolarHBondContact OG1-CG 3.28Å; T428-Q431 PolarHBondContact OG1-N 2.75Å; T428-V432 WeakPolarHBondContact O-CG2 3.26Å; T428-V432 PolarHBondContact O-N 2.83Å
429	E	88.3	Confident	87.1	Confident	148 Å²	148	86.7 Å²	86.7	69%	0.692	41%	0.41	S	S	*	.	H	α-helix	trans	-53.9	-40.4	177.6	-168.6	-172.9	150.6	0	0	112.3	M421 Q431 V432 K433	M421-E429 HydrophobicContact CE-CB 4.25Å; E429-Q431 PolarHBondContact O-N 3.35Å; E429-V432 PolarHBondContact O-N 3.35Å; E429-K433 WeakPolarHBondContact O-CB 3.41Å; E429-K433 PolarHBondContact O-N 2.88Å
430	E	89.9	Confident	87.4	Confident	163 Å²	163	88.5 Å²	88.5	76%	0.762	42%	0.42	S	S	*	.	H	α-helix	trans	-61.9	-42	175.1	-60.6	-176.6	160.2	0	0	113	T428 K434	T428-E430 PolarHBondContact O-N 2.96Å; E430-K434 VanDerWaalsContact O-CB 3.31Å; E430-K434 WeakPolarHBondContact O-CB 3.47Å; E430-K434 PolarHBondContact O-N 2.76Å
431	Q	88.8	Confident	87.7	Confident	90 Å²	90	93.2 Å²	93.2	42%	0.421	44%	0.44	S	S	.	.	H	α-helix	trans	-66.7	-44.8	176.9	-70.9	168.3	-12.6	0	0	110.8	L427 T428 E429 K434 I435	L427-Q431 HydrophobicContact CB-CB 4.35Å; L427-Q431 HydrophobicContact CD2-CB 4.4Å; T428-Q431 WeakPolarHBondContact O-CB 3.24Å; T428-Q431 PolarHBondContact O-N 3.46Å; T428-Q431 VanDerWaalsContact OG1-CG 3.3Å; T428-Q431 WeakPolarHBondContact OG1-CG 3.28Å; T428-Q431 PolarHBondContact OG1-N 2.75Å; E429-Q431 PolarHBondContact O-N 3.35Å; Q431-K434 PolarHBondContact O-N 3.13Å; Q431-I435 WeakPolarHBondContact O-CB 3.45Å; Q431-I435 WeakPolarHBondContact O-CD1 3.46Å; Q431-I435 VanDerWaalsContact O-CG1 3.27Å; Q431-I435 WeakPolarHBondContact O-CG1 3.4Å; Q431-I435 PolarHBondContact O-N 3.24Å
432	V	89.9	Confident	88.1	Confident	3 Å²	3	90.6 Å²	90.6	2%	0.018	43%	0.427	C	S	.	.	H	α-helix	trans	-59.6	-48.1	176.7	171.7	0	0	0	0	110.9	A417 L420 M421 L427 T428 E429 K434 I435 F436	A417-V432 HydrophobicContact CB-CG1 4.17Å; A417-V432 WeakPolarHBondContact O-CG1 3.46Å; L420-V432 HydrophobicContact CB-CG1 3.75Å; L420-V432 HydrophobicContact CD1-CG1 4.45Å; M421-V432 HydrophobicContact CB-CG1 4.29Å; M421-V432 HydrophobicContact CB-CG2 4.21Å; M421-V432 HydrophobicContact CG-CG2 4.24Å; L427-V432 HydrophobicContact CB-CG2 3.66Å; L427-V432 HydrophobicContact CD1-CG2 4.11Å; T428-V432 WeakPolarHBondContact O-CG2 3.26Å; T428-V432 PolarHBondContact O-N 2.83Å; E429-V432 PolarHBondContact O-N 3.35Å; V432-K434 PolarHBondContact O-N 2.82Å; V432-I435 PolarHBondContact O-N 2.93Å; V432-F436 WeakPolarHBondContact O-CB 3.43Å; V432-F436 PolarHBondContact O-N 2.99Å
433	K	90.2	Very high	88.5	Confident	116 Å²	116	88.1 Å²	88.1	50%	0.504	41%	0.412	S	S	.	.	H	α-helix	trans	-59.7	-44.5	176	-179	174	175.5	177.8	0	112.1	E429 I435 F436 E437	E429-K433 WeakPolarHBondContact O-CB 3.41Å; E429-K433 PolarHBondContact O-N 2.88Å; K433-I435 VanDerWaalsContact C-N 3.32Å; K433-I435 PolarHBondContact O-N 2.77Å; K433-F436 WeakPolarHBondContact O-CB 3.31Å; K433-F436 PolarHBondContact O-N 3.07Å; K433-E437 WeakPolarHBondContact CE-OE1 3.18Å; K433-E437 HydrophobicContact CG-CG 4.48Å; K433-E437 WeakPolarHBondContact O-CB 3.23Å; K433-E437 WeakPolarHBondContact O-CG 3.25Å; K433-E437 PolarHBondContact O-N 2.79Å
434	K	91.1	Very high	88.9	Confident	158 Å²	158	95.3 Å²	95.3	69%	0.687	44%	0.438	S	S	*	.	H	α-helix	trans	-63.6	-34.9	176.6	-173.5	173.6	-177.5	175.7	0	112.7	E430 Q431 V432 K438	E430-K434 VanDerWaalsContact O-CB 3.31Å; E430-K434 WeakPolarHBondContact O-CB 3.47Å; E430-K434 PolarHBondContact O-N 2.76Å; Q431-K434 PolarHBondContact O-N 3.13Å; V432-K434 PolarHBondContact O-N 2.82Å; K434-K438 WeakPolarHBondContact O-CB 3.32Å; K434-K438 PolarHBondContact O-N 2.8Å
435	I	90.8	Very high	89.4	Confident	56 Å²	56	97.4 Å²	97.4	29%	0.287	45%	0.446	S	S	.	.	H	α-helix	trans	-69.7	-43.8	173.9	-71.2	162	0	0	0	110.7	P302 L420 L427 Q431 V432 K433 K438 A439	P302-I435 HydrophobicContact CB-CG2 3.83Å; P302-I435 HydrophobicContact CG-CG2 3.82Å; L420-I435 HydrophobicContact CD1-CG2 4.08Å; L427-I435 HydrophobicContact CD1-CD1 3.7Å; Q431-I435 WeakPolarHBondContact O-CB 3.45Å; Q431-I435 WeakPolarHBondContact O-CD1 3.46Å; Q431-I435 VanDerWaalsContact O-CG1 3.27Å; Q431-I435 WeakPolarHBondContact O-CG1 3.4Å; Q431-I435 PolarHBondContact O-N 3.24Å; V432-I435 PolarHBondContact O-N 2.93Å; K433-I435 VanDerWaalsContact C-N 3.32Å; K433-I435 PolarHBondContact O-N 2.77Å; I435-K438 PolarHBondContact O-N 3.09Å; I435-A439 PolarHBondContact O-N 3.28Å
436	F	91.6	Very high	90	Very high	59 Å²	59	90.5 Å²	90.5	26%	0.259	42%	0.416	S	S	.	.	H	α-helix	trans	-59.7	-50.9	175.4	-175.5	-96.3	0	0	0	111.8	A414 L420 V432 K433 K438 A439 V440	A414-F436 HydrophobicContact CB-CD2 3.56Å; A414-F436 HydrophobicContact CB-CE2 3.89Å; L420-F436 HydrophobicContact CD1-CB 4.01Å; L420-F436 HydrophobicContact CD1-CD2 4.26Å; V432-F436 WeakPolarHBondContact O-CB 3.43Å; V432-F436 PolarHBondContact O-N 2.99Å; K433-F436 WeakPolarHBondContact O-CB 3.31Å; K433-F436 PolarHBondContact O-N 3.07Å; F436-K438 VanDerWaalsContact C-N 3.3Å; F436-K438 PolarHBondContact O-N 2.89Å; F436-A439 PolarHBondContact O-N 3.31Å; F436-A439 VanDerWaalsContact O-N 3.12Å; F436-V440 HydrophobicContact CD1-CG2 4.24Å; F436-V440 HydrophobicContact CE1-CG2 3.85Å; F436-V440 HydrophobicContact CE2-CG2 4.45Å; F436-V440 HydrophobicContact CZ-CG2 3.96Å; F436-V440 WeakPolarHBondContact O-CG2 3.34Å; F436-V440 PolarHBondContact O-N 2.96Å
437	E	92.1	Very high	90.4	Very high	110 Å²	110	81.5 Å²	81.5	51%	0.514	38%	0.378	S	S	.	.	H	α-helix	trans	-60.3	-38.2	176.7	-72.7	174.7	-173.5	0	0	112.1	K433 K441	K433-E437 WeakPolarHBondContact CE-OE1 3.18Å; K433-E437 HydrophobicContact CG-CG 4.48Å; K433-E437 WeakPolarHBondContact O-CB 3.23Å; K433-E437 WeakPolarHBondContact O-CG 3.25Å; K433-E437 PolarHBondContact O-N 2.79Å; E437-K441 VanDerWaalsContact O-CB 3.3Å; E437-K441 WeakPolarHBondContact O-CB 3.33Å; E437-K441 PolarHBondContact O-N 2.89Å
438	K	91.3	Very high	90.7	Very high	137 Å²	137	82.2 Å²	82.2	60%	0.596	38%	0.38	S	S	*	.	H	α-helix	trans	-64.9	-41.2	173.7	-172.3	-178.4	179	-173.4	0	112	K434 I435 F436 K441 L442	K434-K438 WeakPolarHBondContact O-CB 3.32Å; K434-K438 PolarHBondContact O-N 2.8Å; I435-K438 PolarHBondContact O-N 3.09Å; F436-K438 VanDerWaalsContact C-N 3.3Å; F436-K438 PolarHBondContact O-N 2.89Å; K438-K441 PolarHBondContact O-N 2.82Å; K438-L442 HydrophobicContact CG-CD1 4.33Å; K438-L442 VanDerWaalsContact O-CG 3.32Å; K438-L442 WeakPolarHBondContact O-CG 3.48Å; K438-L442 PolarHBondContact O-N 2.92Å
439	A	91.7	Very high	90.8	Very high	5 Å²	5	79.4 Å²	79.4	4%	0.041	36%	0.362	C	S	.	.	H	α-helix	trans	-65.3	-46.4	177.2	0	0	0	0	0	111.8	P302 I435 F436 K441 L442 E443	P302-A439 HydrophobicContact CG-CB 4.42Å; I435-A439 PolarHBondContact O-N 3.28Å; F436-A439 PolarHBondContact O-N 3.31Å; F436-A439 VanDerWaalsContact O-N 3.12Å; A439-K441 VanDerWaalsContact C-N 3.25Å; A439-K441 PolarHBondContact O-N 3.29Å; A439-L442 PolarHBondContact O-N 2.81Å; A439-L442 VanDerWaalsContact O-N 3.14Å; A439-E443 PolarHBondContact O-N 3.5Å
440	V	91.6	Very high	91.1	Very high	58 Å²	58	72.3 Å²	72.3	35%	0.352	33%	0.329	S	S	.	.	H	α-helix	trans	-65.9	-26.7	176	174.7	0	0	0	0	112.4	F436	F436-V440 HydrophobicContact CD1-CG2 4.24Å; F436-V440 HydrophobicContact CE1-CG2 3.85Å; F436-V440 HydrophobicContact CE2-CG2 4.45Å; F436-V440 HydrophobicContact CZ-CG2 3.96Å; F436-V440 WeakPolarHBondContact O-CG2 3.34Å; F436-V440 PolarHBondContact O-N 2.96Å
441	K	92.1	Very high	91.4	Very high	108 Å²	108	65 Å²	65	47%	0.47	30%	0.295	S	S	.	.	H	α-helix	trans	-70.5	-47.2	169.6	-175.8	176	177.4	-178.5	0	111.3	E437 K438 A439 E443 R444 E445	E437-K441 VanDerWaalsContact O-CB 3.3Å; E437-K441 WeakPolarHBondContact O-CB 3.33Å; E437-K441 PolarHBondContact O-N 2.89Å; K438-K441 PolarHBondContact O-N 2.82Å; A439-K441 VanDerWaalsContact C-N 3.25Å; A439-K441 PolarHBondContact O-N 3.29Å; K441-E443 PolarHBondContact O-N 2.82Å; K441-R444 PolarHBondContact O-N 2.81Å; K441-E445 WeakPolarHBondContact CE-OE1 3.13Å; K441-E445 WeakPolarHBondContact CE-OE2 3.41Å; K441-E445 HydrophobicContact CG-CG 4.36Å; K441-E445 IonicContact NZ-OE1 2.77Å; K441-E445 IonicContact NZ-OE2 3.48Å; K441-E445 PolarHBondContact O-N 2.76Å
442	L	92.7	Very high	91.6	Very high	22 Å²	22	61.3 Å²	61.3	12%	0.115	28%	0.28	C	S	.	.	H	α-helix	trans	-61.5	-42.9	179.2	-73.1	166.8	0	0	0	112.6	L300 L411 K438 A439 R444 E445 F446	L300-L442 HydrophobicContact CB-CD1 4.24Å; L300-L442 HydrophobicContact CD1-CD2 4.14Å; L411-L442 HydrophobicContact CD1-CB 4.04Å; L411-L442 HydrophobicContact CD1-CD1 4.34Å; K438-L442 HydrophobicContact CG-CD1 4.33Å; K438-L442 VanDerWaalsContact O-CG 3.32Å; K438-L442 WeakPolarHBondContact O-CG 3.48Å; K438-L442 PolarHBondContact O-N 2.92Å; A439-L442 PolarHBondContact O-N 2.81Å; A439-L442 VanDerWaalsContact O-N 3.14Å; L442-R444 PolarHBondContact O-N 2.81Å; L442-E445 PolarHBondContact O-N 3.49Å; L442-F446 HydrophobicContact CD2-CD2 3.85Å; L442-F446 HydrophobicContact CD2-CE2 3.98Å; L442-F446 PolarHBondContact O-N 2.88Å
443	E	91.3	Very high	91.9	Very high	55 Å²	55	63.1 Å²	63.1	26%	0.257	29%	0.29	S	S	.	.	H	α-helix	trans	-58.3	-36.1	175.9	-168.6	172.4	171.6	0	0	112.2	L411 K413 A439 K441 G447	L411-E443 HydrophobicContact CD2-CB 3.66Å; L411-E443 HydrophobicContact CD2-CG 4.12Å; K413-E443 VanDerWaalsContact CE-OE1 3.31Å; K413-E443 WeakPolarHBondContact CE-OE1 3.45Å; K413-E443 WeakPolarHBondContact CE-OE2 3.34Å; K413-E443 IonicContact NZ-OE1 2.68Å; K413-E443 PolarHBondContact NZ-OE1 3.14Å; K413-E443 IonicContact NZ-OE2 3.21Å; K413-E443 PolarHBondContact NZ-OE2 2.95Å; A439-E443 PolarHBondContact O-N 3.5Å; K441-E443 PolarHBondContact O-N 2.82Å; E443-G447 WeakPolarHBondContact O-CA 3.46Å; E443-G447 PolarHBondContact O-N 3.46Å; E443-G447 VanDerWaalsContact O-N 3.13Å
444	R	89.1	Confident	92.1	Very high	189 Å²	189	57.7 Å²	57.7	71%	0.713	27%	0.266	S	S	*	.	H	α-helix	trans	-80.9	-36.4	-178.2	-162.5	-165.3	-39	173.3	10.5	113.7	K441 L442	K441-R444 PolarHBondContact O-N 2.81Å; L442-R444 PolarHBondContact O-N 2.81Å
445	E	91	Very high	92.1	Very high	96 Å²	96	54.1 Å²	54.1	45%	0.449	25%	0.252	S	S	.	.	H	α-helix	trans	-88.7	-24.5	-175.9	-70.8	-178.6	162.1	0	0	113.5	K441 L442	K441-E445 WeakPolarHBondContact CE-OE1 3.13Å; K441-E445 WeakPolarHBondContact CE-OE2 3.41Å; K441-E445 HydrophobicContact CG-CG 4.36Å; K441-E445 IonicContact NZ-OE1 2.77Å; K441-E445 IonicContact NZ-OE2 3.48Å; K441-E445 PolarHBondContact O-N 2.76Å; L442-E445 PolarHBondContact O-N 3.49Å
446	F	92.3	Very high	92	Very high	16 Å²	16	51.7 Å²	51.7	7%	0.07	24%	0.24	C	C	.	.	H	α-helix	trans	-129.3	11.3	-174.8	-54.4	-85.1	0	0	0	113	L442 E448 L449 F450	L442-F446 HydrophobicContact CD2-CD2 3.85Å; L442-F446 HydrophobicContact CD2-CE2 3.98Å; L442-F446 PolarHBondContact O-N 2.88Å; F446-E448 PolarHBondContact O-N 3.42Å; F446-E448 VanDerWaalsContact O-N 3.09Å; F446-L449 HydrophobicContact CB-CD1 4.27Å; F446-L449 HydrophobicContact CD1-CD1 3.78Å; F446-L449 WeakPolarHBondContact O-CB 3.16Å; F446-L449 PolarHBondContact O-N 2.86Å; F446-F450 HydrophobicContact CB-CE2 3.74Å; F446-F450 HydrophobicContact CB-CZ 3.89Å; F446-F450 VanDerWaalsContact O-CD2 3.23Å; F446-F450 WeakPolarHBondContact O-CD2 3.43Å; F446-F450 WeakPolarHBondContact O-CE2 3.48Å
447	G	89.1	Confident	91.7	Very high	4 Å²	4	53.5 Å²	53.5	4%	0.041	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-21.2	-177	0	0	0	0	0	116.2	Y166 E443	Y166-G447 PolarHBondContact OH-O 3Å; E443-G447 WeakPolarHBondContact O-CA 3.46Å; E443-G447 PolarHBondContact O-N 3.46Å; E443-G447 VanDerWaalsContact O-N 3.13Å
448	E	90.5	Very high	91.6	Very high	62 Å²	62	51.2 Å²	51.2	29%	0.29	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-24.2	172.4	62	-176.5	-170.3	0	0	113.3	K398 F446	K398-E448 IonicContact NZ-OE1 2.65Å; K398-E448 PolarHBondContact NZ-OE1 3.04Å; F446-E448 PolarHBondContact O-N 3.42Å; F446-E448 VanDerWaalsContact O-N 3.09Å
449	L	91.9	Very high	91.5	Very high	12 Å²	12	46.5 Å²	46.5	6%	0.063	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-22.2	-169.8	-51.9	-179	0	0	0	114.2	I397 K398 F446	I397-L449 HydrophobicContact CB-CD1 3.97Å; I397-L449 HydrophobicContact CG2-CB 3.84Å; I397-L449 HydrophobicContact CG2-CD1 3.99Å; I397-L449 HydrophobicContact CG2-CG 4.5Å; K398-L449 HydrophobicContact CD-CD1 4.13Å; K398-L449 VanDerWaalsContact CE-CD1 3.48Å; K398-L449 HydrophobicContact CG-CD1 3.45Å; K398-L449 VanDerWaalsContact CG-CD1 3.45Å; K398-L449 HydrophobicContact CG-CD2 4.15Å; K398-L449 HydrophobicContact CG-CG 4.43Å; F446-L449 HydrophobicContact CB-CD1 4.27Å; F446-L449 HydrophobicContact CD1-CD1 3.78Å; F446-L449 WeakPolarHBondContact O-CB 3.16Å; F446-L449 PolarHBondContact O-N 2.86Å
450	F	95.3	Very high	91.5	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.25	C	S	.	.			trans	-63.8	142.3	-177.7	-65.6	-66	0	0	0	110.3	R144 Y166 L300 I397 A409 L411 F446 L453	R144-F450 PolarHBondContact NH1-O 3.38Å; Y166-F450 HydrophobicContact CE1-CB 4.25Å; Y166-F450 PolarHBondContact OH-O 2.8Å; L300-F450 HydrophobicContact CB-CE1 4.37Å; L300-F450 HydrophobicContact CD1-CE1 3.94Å; L300-F450 HydrophobicContact CD1-CZ 4.1Å; L300-F450 HydrophobicContact CG-CE1 4.37Å; I397-F450 HydrophobicContact CD1-CE1 4.15Å; A409-F450 HydrophobicContact CB-CD1 4.11Å; A409-F450 CarbonylContact O-C 3.49Å; L411-F450 HydrophobicContact CB-CD1 3.83Å; L411-F450 HydrophobicContact CB-CD2 4.03Å; L411-F450 HydrophobicContact CB-CE1 3.77Å; L411-F450 HydrophobicContact CB-CE2 3.98Å; L411-F450 HydrophobicContact CB-CG 3.97Å; L411-F450 HydrophobicContact CB-CZ 3.85Å; L411-F450 HydrophobicContact CD1-CE1 4.44Å; L411-F450 HydrophobicContact CD1-CZ 4.04Å; L411-F450 HydrophobicContact CD2-CD2 4.29Å; L411-F450 HydrophobicContact CD2-CE2 3.83Å; L411-F450 HydrophobicContact CD2-CZ 4.18Å; L411-F450 HydrophobicContact CG-CE2 4.33Å; L411-F450 HydrophobicContact CG-CZ 4.25Å; F446-F450 HydrophobicContact CB-CE2 3.74Å; F446-F450 HydrophobicContact CB-CZ 3.89Å; F446-F450 VanDerWaalsContact O-CD2 3.23Å; F446-F450 WeakPolarHBondContact O-CD2 3.43Å; F446-F450 WeakPolarHBondContact O-CE2 3.48Å; F450-L453 HydrophobicContact CB-CD2 4.13Å; F450-L453 HydrophobicContact CD2-CD2 4.14Å; F450-L453 HydrophobicContact CG-CD2 4.28Å
451	T	94.4	Very high	91.5	Very high	9 Å²	9	51.3 Å²	51.3	6%	0.055	25%	0.251	C	S	.	.	S	Bend	trans	-78.8	-42.3	171.8	-48.8	0	0	0	0	109.6	G167 I408 A409 H473	G167-T451 WeakPolarHBondContact CA-O 3.08Å; I408-T451 HydrophobicContact CG2-CG2 4.47Å; A409-T451 PolarHBondContact N-OG1 3.44Å; A409-T451 WeakPolarHBondContact O-CA 3.23Å; A409-T451 WeakPolarHBondContact O-CB 3.27Å; A409-T451 PolarHBondContact O-N 2.69Å; T451-H473 WeakPolarHBondContact CG2-CD2 3.48Å; T451-H473 VanDerWaalsContact CG2-NE2 3.34Å; T451-H473 WeakPolarHBondContact CG2-NE2 3.24Å
452	A	94.3	Very high	91.6	Very high	12 Å²	12	46.4 Å²	46.4	10%	0.099	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	159.7	174.5	0	0	0	0	0	112.7	A409 L411 V469	A409-A452 PolarHBondContact O-N 3.43Å; L411-A452 PolarHBondContact N-O 2.81Å; A452-V469 HydrophobicContact CB-CB 4.35Å; A452-V469 HydrophobicContact CB-CG1 3.57Å; A452-V469 HydrophobicContact CB-CG2 3.76Å
453	L	94.7	Very high	91.6	Very high	42 Å²	42	45.7 Å²	45.7	22%	0.22	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	107	173.5	-59.9	179.3	0	0	0	108.9	Y166 L411 K413 F450	Y166-L453 HydrophobicContact CD1-CB 4.29Å; Y166-L453 HydrophobicContact CD1-CD1 3.99Å; Y166-L453 HydrophobicContact CD1-CG 3.6Å; Y166-L453 HydrophobicContact CD2-CD1 3.37Å; Y166-L453 HydrophobicContact CD2-CG 3.93Å; Y166-L453 HydrophobicContact CE1-CD1 4.33Å; Y166-L453 HydrophobicContact CE1-CD2 4.41Å; Y166-L453 HydrophobicContact CE1-CG 3.82Å; Y166-L453 HydrophobicContact CE2-CD1 3.75Å; Y166-L453 HydrophobicContact CE2-CG 4.12Å; Y166-L453 HydrophobicContact CG-CB 4.42Å; Y166-L453 HydrophobicContact CG-CD1 3.52Å; Y166-L453 HydrophobicContact CG-CG 3.7Å; L411-L453 HydrophobicContact CB-CD2 3.76Å; L411-L453 HydrophobicContact CD2-CD2 4.1Å; L411-L453 HydrophobicContact CG-CD2 4.46Å; K413-L453 HydrophobicContact CD-CB 3.78Å; K413-L453 HydrophobicContact CD-CD1 4Å; K413-L453 HydrophobicContact CD-CD2 4.29Å; K413-L453 HydrophobicContact CD-CG 4.23Å; K413-L453 HydrophobicContact CG-CB 4.43Å; F450-L453 HydrophobicContact CB-CD2 4.13Å; F450-L453 HydrophobicContact CD2-CD2 4.14Å; F450-L453 HydrophobicContact CG-CD2 4.28Å
454	V	94.7	Very high	91.8	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.012	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	137.6	-175.5	164.4	0	0	0	0	110.5	I410 L411 K413 I462 Q465 V469	I410-V454 HydrophobicContact CG2-CB 4.03Å; I410-V454 HydrophobicContact CG2-CG2 3.57Å; L411-V454 PolarHBondContact O-N 2.92Å; K413-V454 PolarHBondContact N-O 2.95Å; V454-I462 HydrophobicContact CG1-CB 4.37Å; V454-I462 HydrophobicContact CG1-CG1 4.49Å; V454-I462 HydrophobicContact CG1-CG2 3.95Å; V454-Q465 HydrophobicContact CB-CB 4.48Å; V454-Q465 HydrophobicContact CG1-CB 3.7Å; V454-Q465 HydrophobicContact CG2-CB 4.05Å; V454-V469 HydrophobicContact CG2-CG2 4.33Å
455	Q	91.8	Very high	92.1	Very high	82 Å²	82	42.8 Å²	42.8	38%	0.383	22%	0.22	S	C	.	.			trans	-148.9	123.1	179.3	-176.3	168	86.6	0	0	111.3	K413 K415 Q465	K413-Q455 HydrophobicContact CB-CB 4.39Å; K413-Q455 PolarHBondContact O-NE2 2.98Å; K415-Q455 HydrophobicContact CD-CG 4.38Å; K415-Q455 HydrophobicContact CG-CG 3.77Å; Q455-Q465 VanDerWaalsContact N-OE1 3.13Å; Q455-Q465 PolarHBondContact O-NE2 2.73Å; Q455-Q465 PolarHBondContact O-OE1 3.27Å
456	G	88.4	Confident	92.3	Very high	5 Å²	5	38.2 Å²	38.2	5%	0.052	20%	0.198	C	C	.	.			trans	-138.6	179.2	178.4	0	0	0	0	0	112.3
457	D	86	Confident	92.4	Very high	97 Å²	97	39.4 Å²	39.4	52%	0.519	20%	0.203	S	C	.	.	S	Bend	trans	-107.7	-19.1	175.1	-63.7	-71.3	0	0	0	112.3	K415 M423	K415-D457 WeakPolarHBondContact CE-OD1 3.36Å; K415-D457 IonicContact NZ-OD1 3.03Å; K415-D457 PolarHBondContact NZ-OD1 3.14Å; K415-D457 IonicContact NZ-OD2 3.98Å; K415-D457 PolarHBondContact NZ-OD2 2.89Å; M423-D457 VanDerWaalsContact CG-O 3.25Å; M423-D457 WeakPolarHBondContact CG-O 3.41Å
458	T	88.8	Confident	92.6	Very high	63 Å²	63	44.6 Å²	44.6	39%	0.387	23%	0.227	S	C	.	.	S	Bend	trans	-121.6	163.1	171.5	74.1	0	0	0	0	112	D460 D461 I462	T458-D460 VanDerWaalsContact C-N 3.27Å; T458-D460 PolarHBondContact O-N 3.28Å; T458-D460 PolarHBondContact OG1-N 3.29Å; T458-D461 WeakPolarHBondContact CB-OD2 3.47Å; T458-D461 PolarHBondContact N-OD2 2.91Å; T458-D461 PolarHBondContact O-N 3.21Å; T458-D461 PolarHBondContact OG1-N 2.67Å; T458-D461 VanDerWaalsContact OG1-N 3.13Å; T458-D461 PolarHBondContact OG1-OD2 3.09Å; T458-I462 WeakPolarHBondContact O-CG1 3.47Å; T458-I462 PolarHBondContact O-N 2.99Å
459	L	89.3	Confident	92.8	Very high	37 Å²	37	42.5 Å²	42.5	19%	0.194	22%	0.218	C	C	.	.	H	α-helix	trans	-61	-37.7	173	177.3	64.5	0	0	0	111.7	M303 K306 I307 I462 Y463	M303-L459 HydrophobicContact CB-CD1 4.22Å; M303-L459 HydrophobicContact CE-CB 4.18Å; M303-L459 HydrophobicContact CE-CD1 3.97Å; M303-L459 HydrophobicContact CE-CD2 4.42Å; M303-L459 HydrophobicContact CE-CG 4.42Å; M303-L459 HydrophobicContact SD-CD1 4.24Å; K306-L459 HydrophobicContact CG-CD2 3.76Å; I307-L459 HydrophobicContact CD1-CD1 3.6Å; I307-L459 HydrophobicContact CG1-CD1 4.28Å; L459-I462 PolarHBondContact O-N 3.46Å; L459-Y463 WeakPolarHBondContact O-CB 3.25Å; L459-Y463 PolarHBondContact O-N 3.06Å
460	D	91.4	Very high	92.9	Very high	96 Å²	96	42 Å²	42	51%	0.513	22%	0.216	S	C	.	.	H	α-helix	trans	-71.7	-37.4	-177.1	-56.7	-67.7	0	0	0	111.5	T458 I462 Y463 H464	T458-D460 VanDerWaalsContact C-N 3.27Å; T458-D460 PolarHBondContact O-N 3.28Å; T458-D460 PolarHBondContact OG1-N 3.29Å; D460-I462 VanDerWaalsContact C-N 3.34Å; D460-I462 PolarHBondContact O-N 3.02Å; D460-Y463 PolarHBondContact O-N 2.76Å; D460-H464 WeakPolarHBondContact O-CB 3.32Å; D460-H464 PolarHBondContact O-CD2 2.99Å; D460-H464 PolarHBondContact O-N 2.81Å
461	D	92.1	Very high	92.7	Very high	69 Å²	69	45.5 Å²	45.5	37%	0.369	23%	0.234	S	C	.	.	H	α-helix	trans	-59.2	-45.8	171	-58.8	-51.7	0	0	0	111.4	T458 Y463 H464 Q465	T458-D461 WeakPolarHBondContact CB-OD2 3.47Å; T458-D461 PolarHBondContact N-OD2 2.91Å; T458-D461 PolarHBondContact O-N 3.21Å; T458-D461 PolarHBondContact OG1-N 2.67Å; T458-D461 VanDerWaalsContact OG1-N 3.13Å; T458-D461 PolarHBondContact OG1-OD2 3.09Å; D461-Y463 VanDerWaalsContact C-N 3.35Å; D461-H464 PolarHBondContact O-N 3.07Å; D461-Q465 WeakPolarHBondContact O-CB 3.38Å; D461-Q465 WeakPolarHBondContact O-CG 3.36Å; D461-Q465 PolarHBondContact O-N 3.34Å
462	I	93.7	Very high	92.5	Very high	4 Å²	4	49.9 Å²	49.9	2%	0.021	25%	0.254	C	S	.	.	H	α-helix	trans	-64.6	-41.8	178.6	-68	168	0	0	0	110	I307 I412 M423 V454 T458 L459 D460 Q465 C466	I307-I462 HydrophobicContact CD1-CG2 3.98Å; I307-I462 HydrophobicContact CG1-CG2 4.38Å; I412-I462 HydrophobicContact CD1-CG2 3.84Å; I412-I462 HydrophobicContact CG1-CG2 3.97Å; I412-I462 HydrophobicContact CG2-CD1 4.1Å; I412-I462 HydrophobicContact CG2-CG2 3.97Å; M423-I462 HydrophobicContact SD-CD1 3.84Å; V454-I462 HydrophobicContact CG1-CB 4.37Å; V454-I462 HydrophobicContact CG1-CG1 4.49Å; V454-I462 HydrophobicContact CG1-CG2 3.95Å; T458-I462 WeakPolarHBondContact O-CG1 3.47Å; T458-I462 PolarHBondContact O-N 2.99Å; L459-I462 PolarHBondContact O-N 3.46Å; D460-I462 VanDerWaalsContact C-N 3.34Å; D460-I462 PolarHBondContact O-N 3.02Å; I462-Q465 PolarHBondContact O-N 3.15Å; I462-C466 WeakPolarHBondContact O-CB 3.48Å; I462-C466 PolarHBondContact O-N 2.81Å; I462-C466 PolarHBondContact O-SG 2.76Å
463	Y	94.3	Very high	92.3	Very high	8 Å²	8	51.4 Å²	51.4	3%	0.031	26%	0.259	C	S	.	.	H	α-helix	trans	-63.5	-46.7	177.3	-175.1	-106.9	0	0	0	112.2	I307 N310 L311 E314 L459 D460 D461 C466 K467	I307-Y463 HydrophobicContact CD1-CD2 3.95Å; I307-Y463 HydrophobicContact CD1-CG 4.4Å; I307-Y463 HydrophobicContact CG2-CD2 4.19Å; N310-Y463 HydrophobicContact CB-CD2 3.97Å; N310-Y463 HydrophobicContact CB-CE2 3.36Å; N310-Y463 PolarHBondContact O-OH 3.42Å; L311-Y463 HydrophobicContact CD2-CE2 3.74Å; L311-Y463 HydrophobicContact CG-CE2 3.89Å; E314-Y463 VanDerWaalsContact OE2-CE1 3.3Å; E314-Y463 WeakPolarHBondContact OE2-CE1 3.36Å; E314-Y463 PolarHBondContact OE2-OH 2.87Å; L459-Y463 WeakPolarHBondContact O-CB 3.25Å; L459-Y463 PolarHBondContact O-N 3.06Å; D460-Y463 PolarHBondContact O-N 2.76Å; D461-Y463 VanDerWaalsContact C-N 3.35Å; Y463-C466 PolarHBondContact O-N 3.32Å; Y463-K467 HydrophobicContact CE1-CD 4.48Å; Y463-K467 VanDerWaalsContact O-CB 3.3Å; Y463-K467 WeakPolarHBondContact O-CB 3.38Å; Y463-K467 PolarHBondContact O-N 2.84Å
464	H	94.8	Very high	92.1	Very high	116 Å²	116	51.3 Å²	51.3	54%	0.537	26%	0.262	S	S	.	.	H	α-helix	trans	-63.4	-42.6	176.3	-77.5	-61.1	0	0	0	112.4	D460 D461 K467 Q468	D460-H464 WeakPolarHBondContact O-CB 3.32Å; D460-H464 PolarHBondContact O-CD2 2.99Å; D460-H464 PolarHBondContact O-N 2.81Å; D461-H464 PolarHBondContact O-N 3.07Å; H464-K467 PolarHBondContact O-N 2.92Å; H464-Q468 WeakPolarHBondContact O-CB 3.27Å; H464-Q468 PolarHBondContact O-N 3.1Å
465	Q	94.5	Very high	91.7	Very high	66 Å²	66	52.7 Å²	52.7	31%	0.308	28%	0.276	S	S	.	.	H	α-helix	trans	-62.8	-47.3	174.1	-74.8	177.5	46.1	0	0	112.1	V454 Q455 D461 I462 K467 Q468 V469	V454-Q465 HydrophobicContact CB-CB 4.48Å; V454-Q465 HydrophobicContact CG1-CB 3.7Å; V454-Q465 HydrophobicContact CG2-CB 4.05Å; Q455-Q465 VanDerWaalsContact N-OE1 3.13Å; Q455-Q465 PolarHBondContact O-NE2 2.73Å; Q455-Q465 PolarHBondContact O-OE1 3.27Å; D461-Q465 WeakPolarHBondContact O-CB 3.38Å; D461-Q465 WeakPolarHBondContact O-CG 3.36Å; D461-Q465 PolarHBondContact O-N 3.34Å; I462-Q465 PolarHBondContact O-N 3.15Å; Q465-K467 VanDerWaalsContact C-N 3.31Å; Q465-K467 PolarHBondContact O-N 3.3Å; Q465-Q468 PolarHBondContact O-N 3.01Å; Q465-V469 WeakPolarHBondContact O-CG2 3.4Å; Q465-V469 PolarHBondContact O-N 2.9Å
466	C	95.4	Very high	91.5	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-58.4	-42.7	176	-76.4	0	0	0	0	111.9	I299 I307 I410 I462 Y463 I470	I299-C466 HydrophobicContact CD1-CB 4.48Å; I307-C466 HydrophobicContact CG2-CB 4.28Å; I410-C466 HydrophobicContact CD1-CB 4.37Å; I462-C466 WeakPolarHBondContact O-CB 3.48Å; I462-C466 PolarHBondContact O-N 2.81Å; I462-C466 PolarHBondContact O-SG 2.76Å; Y463-C466 PolarHBondContact O-N 3.32Å; C466-I470 WeakPolarHBondContact O-CD1 3.48Å; C466-I470 VanDerWaalsContact O-CG1 3.23Å; C466-I470 WeakPolarHBondContact O-CG1 3.38Å; C466-I470 PolarHBondContact O-N 3.35Å
467	K	94.7	Very high	91.6	Very high	41 Å²	41	56.9 Å²	56.9	18%	0.178	30%	0.297	C	S	.	.	H	α-helix	trans	-64.3	-44.8	177.7	-176.2	175.2	177.4	179	0	112	E314 F315 Y463 H464 Q465 I470 D471	E314-K467 IonicContact OE1-NZ 3.93Å; E314-K467 PolarHBondContact OE1-NZ 3.2Å; F315-K467 HydrophobicContact CE2-CD 4.3Å; F315-K467 VanDerWaalsContact CE2-CE 3.42Å; F315-K467 VanDerWaalsContact CE2-NZ 3.27Å; Y463-K467 HydrophobicContact CE1-CD 4.48Å; Y463-K467 VanDerWaalsContact O-CB 3.3Å; Y463-K467 WeakPolarHBondContact O-CB 3.38Å; Y463-K467 PolarHBondContact O-N 2.84Å; H464-K467 PolarHBondContact O-N 2.92Å; Q465-K467 VanDerWaalsContact C-N 3.31Å; Q465-K467 PolarHBondContact O-N 3.3Å; K467-I470 PolarHBondContact O-N 2.9Å; K467-D471 PolarHBondContact O-N 3.34Å
468	Q	93.4	Very high	91.8	Very high	113 Å²	113	52.3 Å²	52.3	53%	0.528	27%	0.273	S	S	.	.	H	α-helix	trans	-59.2	-51	175.5	178	177.6	-10.4	0	0	111.4	H464 Q465 I470 D471 E472	H464-Q468 WeakPolarHBondContact O-CB 3.27Å; H464-Q468 PolarHBondContact O-N 3.1Å; Q465-Q468 PolarHBondContact O-N 3.01Å; Q468-I470 VanDerWaalsContact C-N 3.26Å; Q468-I470 PolarHBondContact O-N 3.46Å; Q468-D471 PolarHBondContact O-N 2.81Å; Q468-E472 HydrophobicContact CG-CG 4.27Å; Q468-E472 VanDerWaalsContact CG-OE1 3.28Å; Q468-E472 WeakPolarHBondContact CG-OE1 3.11Å; Q468-E472 PolarHBondContact NE2-OE1 2.9Å; Q468-E472 WeakPolarHBondContact O-CB 3.48Å; Q468-E472 WeakPolarHBondContact O-CG 3.14Å; Q468-E472 PolarHBondContact O-N 3.49Å
469	V	93.8	Very high	91.9	Very high	19 Å²	19	51.9 Å²	51.9	12%	0.115	26%	0.264	C	S	.	.	H	α-helix	trans	-57.1	-39.6	177.4	169.1	0	0	0	0	111.5	I408 I410 A452 V454 Q465 H473	I408-V469 HydrophobicContact CG2-CG1 4.37Å; I410-V469 HydrophobicContact CD1-CB 4.04Å; I410-V469 HydrophobicContact CD1-CG1 3.64Å; I410-V469 HydrophobicContact CG1-CG1 3.93Å; A452-V469 HydrophobicContact CB-CB 4.35Å; A452-V469 HydrophobicContact CB-CG1 3.57Å; A452-V469 HydrophobicContact CB-CG2 3.76Å; V454-V469 HydrophobicContact CG2-CG2 4.33Å; Q465-V469 WeakPolarHBondContact O-CG2 3.4Å; Q465-V469 PolarHBondContact O-N 2.9Å; V469-H473 VanDerWaalsContact O-CB 3.32Å; V469-H473 WeakPolarHBondContact O-CB 3.48Å; V469-H473 PolarHBondContact O-CD2 2.99Å; V469-H473 VanDerWaalsContact O-CD2 3.22Å; V469-H473 PolarHBondContact O-N 3.26Å
470	I	94.3	Very high	92	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-65.7	-56.8	175.6	-67.1	161.3	0	0	0	110.1	V297 L311 F319 I408 I410 C466 K467 Q468 E472 H473 S474	V297-I470 HydrophobicContact CG1-CD1 3.86Å; V297-I470 HydrophobicContact CG1-CG1 4.27Å; V297-I470 HydrophobicContact CG2-CD1 4.3Å; V297-I470 HydrophobicContact CG2-CG1 4.19Å; V297-I470 HydrophobicContact CG2-CG2 4.33Å; L311-I470 HydrophobicContact CD1-CD1 3.83Å; L311-I470 HydrophobicContact CD2-CD1 4.4Å; F319-I470 HydrophobicContact CE1-CD1 4.11Å; F319-I470 HydrophobicContact CE1-CG2 3.94Å; F319-I470 HydrophobicContact CZ-CD1 4.19Å; F319-I470 HydrophobicContact CZ-CG2 3.94Å; I408-I470 HydrophobicContact CD1-CG2 4.33Å; I408-I470 HydrophobicContact CG2-CG1 4.37Å; I410-I470 HydrophobicContact CD1-CD1 4.45Å; I410-I470 HydrophobicContact CD1-CG1 4.03Å; C466-I470 WeakPolarHBondContact O-CD1 3.48Å; C466-I470 VanDerWaalsContact O-CG1 3.23Å; C466-I470 WeakPolarHBondContact O-CG1 3.38Å; C466-I470 PolarHBondContact O-N 3.35Å; K467-I470 PolarHBondContact O-N 2.9Å; Q468-I470 VanDerWaalsContact C-N 3.26Å; Q468-I470 PolarHBondContact O-N 3.46Å; I470-E472 VanDerWaalsContact C-N 3.27Å; I470-E472 PolarHBondContact O-N 2.91Å; I470-H473 CarbonylContact O-C 3.54Å; I470-H473 PolarHBondContact O-N 2.82Å; I470-S474 WeakPolarHBondContact O-CB 3.4Å; I470-S474 PolarHBondContact O-N 3.45Å; I470-S474 PolarHBondContact O-OG 3.26Å
471	D	92	Very high	91.9	Very high	73 Å²	73	49.4 Å²	49.4	39%	0.39	25%	0.254	S	S	.	.	H	α-helix	trans	-58.4	-36.4	-176.7	-82	-39.5	0	0	0	112.4	K318 K467 Q468	K318-D471 IonicContact NZ-OD1 3.49Å; K318-D471 PolarHBondContact NZ-OD1 2.85Å; K318-D471 IonicContact NZ-OD2 2.75Å; K467-D471 PolarHBondContact O-N 3.34Å; Q468-D471 PolarHBondContact O-N 2.81Å
472	E	89.8	Confident	91.5	Very high	102 Å²	102	47 Å²	47	48%	0.477	24%	0.242	S	C	.	.	H	α-helix	trans	-65.9	-35.3	173.6	-74.1	172.2	174	0	0	113.1	Q468 I470	Q468-E472 HydrophobicContact CG-CG 4.27Å; Q468-E472 VanDerWaalsContact CG-OE1 3.28Å; Q468-E472 WeakPolarHBondContact CG-OE1 3.11Å; Q468-E472 PolarHBondContact NE2-OE1 2.9Å; Q468-E472 WeakPolarHBondContact O-CB 3.48Å; Q468-E472 WeakPolarHBondContact O-CG 3.14Å; Q468-E472 PolarHBondContact O-N 3.49Å; I470-E472 VanDerWaalsContact C-N 3.27Å; I470-E472 PolarHBondContact O-N 2.91Å
473	H	90.9	Very high	90.4	Very high	43 Å²	43	56.4 Å²	56.4	20%	0.199	28%	0.283	C	S	.	.	H	α-helix	trans	-96.6	3	-178.5	-77.1	-52.5	0	0	0	115.1	R295 I408 T451 V469 I470	R295-H473 VanDerWaalsContact CD-O 3.23Å; R295-H473 WeakPolarHBondContact CD-O 3.31Å; R295-H473 PolarHBondContact NH1-O 2.75Å; R295-H473 VanDerWaalsContact NH1-O 3.09Å; I408-H473 HydrophobicContact CD1-CB 3.82Å; I408-H473 HydrophobicContact CG1-CB 4.01Å; I408-H473 HydrophobicContact CG2-CB 4.44Å; T451-H473 WeakPolarHBondContact CG2-CD2 3.48Å; T451-H473 VanDerWaalsContact CG2-NE2 3.34Å; T451-H473 WeakPolarHBondContact CG2-NE2 3.24Å; V469-H473 VanDerWaalsContact O-CB 3.32Å; V469-H473 WeakPolarHBondContact O-CB 3.48Å; V469-H473 PolarHBondContact O-CD2 2.99Å; V469-H473 VanDerWaalsContact O-CD2 3.22Å; V469-H473 PolarHBondContact O-N 3.26Å; I470-H473 CarbonylContact O-C 3.54Å; I470-H473 PolarHBondContact O-N 2.82Å
474	S	90.1	Very high	88.6	Confident	40 Å²	40	60.8 Å²	60.8	28%	0.28	31%	0.307	S	S	.	.			trans	-90.8	3.2	176.5	-68.9	0	0	0	0	114.6	H387 I470	H387-S474 PolarHBondContact CE1-OG 2.81Å; H387-S474 PolarHBondContact NE2-OG 2.73Å; I470-S474 WeakPolarHBondContact O-CB 3.4Å; I470-S474 PolarHBondContact O-N 3.45Å; I470-S474 PolarHBondContact O-OG 3.26Å
475	G	86.8	Confident	86.6	Confident	31 Å²	31	61.1 Å²	61.1	32%	0.32	31%	0.309	S	S	.	.	S	Bend	trans	-66.7	162.4	173.8	0	0	0	0	0	113.4	Y477	G475-Y477 PolarHBondContact O-N 2.95Å; G475-Y477 VanDerWaalsContact O-N 3.11Å
476	P	86.3	Confident	83.9	Confident	74 Å²	74	66 Å²	66	48%	0.481	33%	0.332	S	S	.	.	S	Bend	trans	-68.6	-8.2	-179.2	29.4	-36.2	0	0	0	113.7	E290 I291	E290-P476 CarbonylContact C-O 3.55Å; E290-P476 VanDerWaalsContact CA-O 3.31Å; E290-P476 WeakPolarHBondContact CA-O 3.42Å; I291-P476 PolarHBondContact N-O 2.99Å
477	Y	90.3	Very high	81.1	Confident	101 Å²	101	70 Å²	70	40%	0.396	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	124.3	175.9	-61.5	-71.1	0	0	0	110.5	R288 Q289 E290 G475	R288-Y477 HydrophobicContact CG-CD1 4.34Å; Q289-Y477 CarbonylContact O-C 3.45Å; Q289-Y477 WeakPolarHBondContact O-CA 3.38Å; E290-Y477 HydrophobicContact CB-CD1 3.98Å; E290-Y477 HydrophobicContact CB-CE1 3.79Å; E290-Y477 VanDerWaalsContact CD-CE1 3.49Å; E290-Y477 HydrophobicContact CG-CD1 4.15Å; E290-Y477 HydrophobicContact CG-CE1 3.7Å; E290-Y477 PolarHBondContact OE1-OH 2.9Å; E290-Y477 WeakPolarHBondContact OE2-CE1 3.19Å; E290-Y477 PolarHBondContact OE2-OH 2.9Å; G475-Y477 PolarHBondContact O-N 2.95Å; G475-Y477 VanDerWaalsContact O-N 3.11Å
478	I	91.9	Very high	80.4	Confident	2 Å²	2	71.5 Å²	71.5	1%	0.01	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	158.7	176.4	60.4	169	0	0	0	111.3	R288 Q289 I291 R295 H406 I480	R288-I478 CarbonylContact C-O 3.24Å; R288-I478 WeakPolarHBondContact CA-O 3.48Å; Q289-I478 HydrophobicContact CB-CG1 4.08Å; Q289-I478 PolarHBondContact N-O 2.87Å; Q289-I478 PolarHBondContact O-N 2.85Å; I291-I478 HydrophobicContact CD1-CD1 4.37Å; I291-I478 HydrophobicContact CD1-CG2 3.5Å; I291-I478 HydrophobicContact CG1-CG2 4.03Å; I291-I478 HydrophobicContact CG2-CD1 3.7Å; I291-I478 HydrophobicContact CG2-CG1 4.02Å; R295-I478 HydrophobicContact CG-CG2 4.4Å; H406-I478 HydrophobicContact CB-CD1 3.97Å; I478-I480 HydrophobicContact CD1-CG2 3.51Å; I478-I480 HydrophobicContact CG1-CG2 4Å
479	W	90.9	Very high	79.8	Confident	53 Å²	53	69.3 Å²	69.3	20%	0.201	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	116.2	170.6	-63.6	95.3	0	0	0	108.4	Y142 I169 V186 V286 L287 R288	Y142-W479 AromaticContact CD1-CH2 3.41Å; Y142-W479 HydrophobicContact CD1-CH2 3.41Å; Y142-W479 VanDerWaalsContact CD1-CH2 3.41Å; Y142-W479 HydrophobicContact CD1-CZ2 4.4Å; Y142-W479 AromaticContact CD1-CZ3 3.65Å; Y142-W479 HydrophobicContact CD1-CZ3 3.65Å; Y142-W479 HydrophobicContact CD2-CH2 4.4Å; Y142-W479 HydrophobicContact CD2-CZ3 4.15Å; Y142-W479 AromaticContact CE1-CH2 3.67Å; Y142-W479 HydrophobicContact CE1-CH2 3.67Å; Y142-W479 HydrophobicContact CE1-CZ3 4.3Å; Y142-W479 AromaticContact CG-CH2 3.81Å; Y142-W479 HydrophobicContact CG-CH2 3.81Å; Y142-W479 AromaticContact CG-CZ3 3.55Å; Y142-W479 HydrophobicContact CG-CZ3 3.55Å; I169-W479 HydrophobicContact CD1-CB 3.98Å; I169-W479 HydrophobicContact CD1-CG 4Å; I169-W479 HydrophobicContact CG1-CB 4.4Å; I169-W479 HydrophobicContact CG1-CD2 4.33Å; I169-W479 HydrophobicContact CG1-CG 3.89Å; I169-W479 HydrophobicContact CG2-CD2 3.86Å; I169-W479 HydrophobicContact CG2-CE3 4.11Å; I169-W479 HydrophobicContact CG2-CG 4.3Å; I169-W479 HydrophobicContact CG2-CH2 4.35Å; I169-W479 HydrophobicContact CG2-CZ2 4.14Å; I169-W479 HydrophobicContact CG2-CZ3 4.33Å; V186-W479 HydrophobicContact CG1-CZ2 3.99Å; V286-W479 HydrophobicContact CB-CB 4.16Å; V286-W479 HydrophobicContact CB-CE3 4.14Å; V286-W479 HydrophobicContact CG1-CB 4.45Å; V286-W479 HydrophobicContact CG2-CB 4.32Å; V286-W479 HydrophobicContact CG2-CD2 4.31Å; V286-W479 HydrophobicContact CG2-CE3 3.62Å; V286-W479 HydrophobicContact CG2-CZ3 4.31Å; L287-W479 WeakPolarHBondContact O-CA 3.24Å; R288-W479 HydrophobicContact CB-CD2 4.41Å; R288-W479 HydrophobicContact CB-CE3 3.98Å; R288-W479 HydrophobicContact CB-CH2 3.84Å; R288-W479 HydrophobicContact CB-CZ2 4.24Å; R288-W479 HydrophobicContact CB-CZ3 3.7Å; R288-W479 HydrophobicContact CG-CH2 4.44Å; R288-W479 HydrophobicContact CG-CZ2 4.39Å
480	I	90.7	Very high	79	Confident	28 Å²	28	72.1 Å²	72.1	14%	0.144	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	147.7	179.9	58.3	153.9	0	0	0	110.9	V286 L287 Q289 H406 I478 S482	V286-I480 CarbonylContact C-O 3.58Å; V286-I480 WeakPolarHBondContact CA-O 3.18Å; V286-I480 WeakPolarHBondContact CB-O 3.4Å; L287-I480 HydrophobicContact CB-CG1 4.13Å; L287-I480 PolarHBondContact N-O 3.06Å; L287-I480 WeakPolarHBondContact O-CG1 3.23Å; L287-I480 PolarHBondContact O-N 2.86Å; Q289-I480 HydrophobicContact CB-CD1 4.49Å; Q289-I480 HydrophobicContact CB-CG1 4.34Å; H406-I480 HydrophobicContact CB-CG2 4.36Å; I478-I480 HydrophobicContact CD1-CG2 3.51Å; I478-I480 HydrophobicContact CG1-CG2 4Å; I480-S482 PolarHBondContact O-N 3.09Å
481	P	88.4	Confident	78.1	Confident	54 Å²	54	76.3 Å²	76.3	35%	0.351	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	128.2	177.2	-23.6	34.8	0	0	0	112.4	E284	E284-P481 HydrophobicContact CG-CB 4.21Å; E284-P481 WeakPolarHBondContact OE1-CB 3.31Å; E284-P481 VanDerWaalsContact OE1-CG 3.24Å; E284-P481 WeakPolarHBondContact OE1-CG 3.32Å
482	S	84.8	Confident	77.2	Confident	17 Å²	17	76.5 Å²	76.5	12%	0.119	39%	0.387	C	S	.	.			trans	-92.3	146.8	167.6	-174.6	0	0	0	0	110.3	Y285 I480 D484	Y285-S482 PolarHBondContact O-N 3.24Å; I480-S482 PolarHBondContact O-N 3.09Å; S482-D484 PolarHBondContact OG-N 3Å
483	K	69.3	Low	76.4	Confident	202 Å²	202	74.8 Å²	74.8	88%	0.878	38%	0.381	S	S	*	.			trans	-93.6	-16.6	170.6	-71	-174.5	177	-179.7	0	113.2
484	D	57	Low	75.3	Confident	100 Å²	100	77.1 Å²	77.1	54%	0.535	40%	0.395	S	S	.	.			trans	-93	117	-173	-53	-40.5	0	0	0	109	S482 E486	S482-D484 PolarHBondContact OG-N 3Å; D484-E486 PolarHBondContact O-N 3.4Å
485	E	52.6	Low	74.2	Confident	124 Å²	124	79.9 Å²	79.9	58%	0.579	40%	0.403	S	S	*	.	S	Bend	trans	-73.5	-0.6	167.2	-51.8	-158.9	132.4	0	0	111.4	K201 Y285	K201-E485 IonicContact NZ-OE1 2.69Å; K201-E485 PolarHBondContact NZ-OE1 3.47Å; Y285-E485 HydrophobicContact CD2-CG 4.14Å; Y285-E485 HydrophobicContact CE2-CB 4.12Å; Y285-E485 HydrophobicContact CE2-CG 3.53Å; Y285-E485 VanDerWaalsContact CE2-OE1 3.26Å; Y285-E485 WeakPolarHBondContact CE2-OE1 3.23Å; Y285-E485 PolarHBondContact OH-OE1 2.64Å
486	E	37.9	Very low	73.1	Confident	167 Å²	167	84 Å²	84	78%	0.78	41%	0.41	S	S	*	.			trans	-105.8	30.5	-171.7	-59.2	-164.9	156.7	0	0	115	K139 D484	K139-E486 PolarHBondContact NZ-O 3.22Å; D484-E486 PolarHBondContact O-N 3.4Å
487	L	37.7	Very low	71.9	Confident	86 Å²	86	84.9 Å²	84.9	45%	0.45	40%	0.404	S	S	.	.			trans	-74.3	0	173.2	-81.8	164.5	0	0	0	113.1	K139 L287	K139-L487 VanDerWaalsContact CB-O 3.24Å; K139-L487 WeakPolarHBondContact CB-O 3.26Å; K139-L487 WeakPolarHBondContact CD-O 3.46Å; K139-L487 WeakPolarHBondContact CG-O 3.48Å; K139-L487 WeakPolarHBondContact CG-OXT 3.17Å; K139-L487 PolarHBondContact NZ-OXT 2.98Å; L287-L487 HydrophobicContact CD1-CD1 4.2Å; L287-L487 HydrophobicContact CD2-CD1 3.6Å; L287-L487 HydrophobicContact CD2-CD2 3.88Å; L287-L487 HydrophobicContact CD2-CG 4.42Å; L287-L487 HydrophobicContact CG-CD1 3.74Å

Retrieved 487 of 487 residues in 141.8 ms (Link to these results)

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